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 3fks_1_N DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLXG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLA 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.335 177.300 0.059 0.000 1.155 8 P CA 0.000 63.123 63.100 0.039 0.000 0.800 8 P CB 0.000 31.721 31.700 0.035 0.000 0.726 9 I N 1.604 122.224 120.570 0.083 0.000 2.322 9 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 9 I C 0.655 176.884 176.117 0.187 0.000 1.060 9 I CA 0.188 61.575 61.300 0.144 0.000 1.309 9 I CB 0.196 38.287 38.000 0.153 0.000 1.415 9 I HN 0.284 nan 8.210 nan 0.000 0.492 10 T N 5.307 119.944 114.554 0.137 0.000 2.889 10 T HA 0.641 4.991 4.350 -0.000 0.000 0.291 10 T C 0.540 175.208 174.700 -0.053 0.000 0.995 10 T CA -0.510 61.623 62.100 0.054 0.000 1.092 10 T CB 1.759 70.640 68.868 0.021 0.000 0.954 10 T HN 0.848 nan 8.240 nan 0.000 0.506 11 G N 1.506 110.171 108.800 -0.226 0.000 2.612 11 G HA2 0.657 4.616 3.960 -0.000 0.000 0.298 11 G HA3 0.657 4.616 3.960 -0.000 0.000 0.298 11 G C -1.367 173.336 174.900 -0.328 0.000 1.336 11 G CA -0.823 43.908 45.100 -0.615 0.000 0.953 11 G HN 0.420 nan 8.290 nan 0.000 0.482 12 K N -0.393 119.832 120.400 -0.292 0.000 2.221 12 K HA 0.639 4.959 4.320 -0.000 0.000 0.243 12 K C -0.312 176.215 176.600 -0.121 0.000 0.968 12 K CA -0.663 55.537 56.287 -0.145 0.000 0.846 12 K CB 2.283 34.729 32.500 -0.090 0.000 1.141 12 K HN 0.242 nan 8.250 nan 0.000 0.434 13 V N 3.086 122.951 119.914 -0.081 0.000 2.368 13 V HA 0.094 4.214 4.120 -0.000 0.000 0.266 13 V C 0.601 176.667 176.094 -0.047 0.000 1.045 13 V CA 0.008 62.274 62.300 -0.057 0.000 0.899 13 V CB 0.765 32.562 31.823 -0.044 0.000 1.006 13 V HN 0.884 nan 8.190 nan 0.000 0.470 14 T N 3.183 117.717 114.554 -0.032 0.000 2.852 14 T HA 0.360 4.710 4.350 -0.000 0.000 0.256 14 T C 0.594 175.280 174.700 -0.024 0.000 1.038 14 T CA 1.038 63.121 62.100 -0.029 0.000 1.141 14 T CB 0.271 69.139 68.868 -0.000 0.000 0.869 14 T HN 0.856 nan 8.240 nan 0.000 0.439 15 A N 0.689 123.500 122.820 -0.015 0.000 2.605 15 A HA 0.633 4.953 4.320 -0.000 0.000 0.294 15 A C -1.592 175.986 177.584 -0.009 0.000 1.062 15 A CA -0.883 51.146 52.037 -0.013 0.000 0.682 15 A CB 1.240 20.234 19.000 -0.009 0.000 1.278 15 A HN 0.512 nan 8.150 nan 0.000 0.410 16 V N -0.053 119.856 119.914 -0.009 0.000 2.686 16 V HA 0.863 4.983 4.120 -0.000 0.000 0.306 16 V C -0.613 175.477 176.094 -0.006 0.000 1.065 16 V CA -0.643 61.653 62.300 -0.007 0.000 0.894 16 V CB 1.722 33.541 31.823 -0.008 0.000 1.004 16 V HN 1.316 nan 8.190 nan 0.000 0.424 17 I N 2.505 123.072 120.570 -0.005 0.000 2.623 17 I HA 0.836 5.006 4.170 -0.000 0.000 0.275 17 I C 0.537 176.651 176.117 -0.004 0.000 1.108 17 I CA 0.378 61.676 61.300 -0.005 0.000 1.120 17 I CB 0.086 38.084 38.000 -0.004 0.000 1.249 17 I HN 1.310 nan 8.210 nan 0.000 0.500 18 G N 5.280 114.078 108.800 -0.004 0.000 2.609 18 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.288 18 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.288 18 G C 0.632 175.531 174.900 -0.003 0.000 1.211 18 G CA 0.896 45.994 45.100 -0.004 0.000 0.963 18 G HN 1.270 nan 8.290 nan 0.000 0.541 19 A N -0.263 122.555 122.820 -0.003 0.000 2.379 19 A HA 0.687 5.006 4.320 -0.000 0.000 0.236 19 A C 0.463 178.047 177.584 0.000 0.000 1.272 19 A CA 0.697 52.733 52.037 -0.001 0.000 0.886 19 A CB -0.061 18.938 19.000 -0.001 0.000 0.962 19 A HN 0.781 nan 8.150 nan 0.000 0.504 20 I N 0.326 120.896 120.570 -0.001 0.000 2.378 20 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 20 I C -0.543 175.574 176.117 -0.000 0.000 0.992 20 I CA -0.417 60.883 61.300 -0.000 0.000 1.154 20 I CB 1.951 39.950 38.000 -0.001 0.000 1.315 20 I HN -0.096 nan 8.210 nan 0.000 0.448 21 V N 4.816 124.731 119.914 0.002 0.000 2.604 21 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 21 V C -0.887 175.208 176.094 0.002 0.000 1.043 21 V CA -0.768 61.533 62.300 0.000 0.000 0.888 21 V CB 2.107 33.930 31.823 0.001 0.000 0.995 21 V HN 0.558 nan 8.190 nan 0.000 0.429 22 D N 2.930 123.330 120.400 0.000 0.000 2.344 22 D HA 0.565 5.205 4.640 -0.000 0.000 0.239 22 D C -0.585 175.717 176.300 0.003 0.000 1.064 22 D CA -0.105 53.899 54.000 0.006 0.000 0.829 22 D CB 2.330 43.136 40.800 0.010 0.000 1.129 22 D HN 0.247 nan 8.370 nan 0.000 0.506 23 V N 1.999 121.919 119.914 0.010 0.000 2.769 23 V HA 0.313 4.433 4.120 -0.000 0.000 0.312 23 V C -0.013 176.071 176.094 -0.017 0.000 1.058 23 V CA -0.776 61.501 62.300 -0.038 0.000 0.952 23 V CB 2.351 34.148 31.823 -0.043 0.000 1.019 23 V HN 0.560 nan 8.190 nan 0.000 0.445 24 H N 2.105 121.023 119.070 -0.253 0.000 2.524 24 H HA 0.634 5.190 4.556 -0.000 0.000 0.353 24 H C -1.659 173.431 175.328 -0.396 0.000 1.136 24 H CA -0.290 55.652 56.048 -0.177 0.000 1.193 24 H CB 1.811 31.505 29.762 -0.114 0.000 1.558 24 H HN 0.511 nan 8.280 nan 0.000 0.515 25 F N 0.911 120.560 119.950 -0.501 0.000 2.979 25 F HA 0.343 4.870 4.527 -0.000 0.000 0.370 25 F C 0.335 175.939 175.800 -0.327 0.000 1.320 25 F CA -0.666 57.175 58.000 -0.264 0.000 1.095 25 F CB 0.832 39.741 39.000 -0.153 0.000 1.553 25 F HN 0.435 nan 8.300 nan 0.000 0.493 26 E N -0.232 120.040 120.200 0.120 0.000 2.447 26 E HA 0.204 4.553 4.350 -0.000 0.000 0.251 26 E C 0.771 177.394 176.600 0.038 0.000 0.910 26 E CA -0.378 56.054 56.400 0.055 0.000 0.841 26 E CB 0.336 30.087 29.700 0.085 0.000 1.403 26 E HN 0.597 nan 8.360 nan 0.000 0.400 27 Q N 0.259 120.080 119.800 0.035 0.000 2.066 27 Q HA -0.228 4.112 4.340 -0.000 0.000 0.216 27 Q C 1.067 177.072 176.000 0.008 0.000 1.035 27 Q CA 2.205 58.021 55.803 0.021 0.000 0.897 27 Q CB -0.517 28.233 28.738 0.020 0.000 1.010 27 Q HN 0.196 nan 8.270 nan 0.000 0.416 28 S N -0.309 115.392 115.700 0.002 0.000 2.740 28 S HA 0.120 4.590 4.470 -0.000 0.000 0.244 28 S C 0.264 174.840 174.600 -0.040 0.000 1.101 28 S CA -0.505 57.684 58.200 -0.019 0.000 1.123 28 S CB 0.406 63.593 63.200 -0.021 0.000 1.012 28 S HN 0.285 nan 8.310 nan 0.000 0.491 29 E N 0.658 120.832 120.200 -0.044 0.000 2.276 29 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 29 E C 0.350 176.734 176.600 -0.359 0.000 0.983 29 E CA 0.061 56.401 56.400 -0.101 0.000 0.861 29 E CB -0.085 29.656 29.700 0.068 0.000 0.817 29 E HN 0.556 nan 8.360 nan 0.000 0.485 30 L N 4.079 125.087 121.223 -0.358 0.000 2.747 30 L HA -0.073 4.267 4.340 -0.000 0.000 0.286 30 L C -2.082 174.569 176.870 -0.365 0.000 1.216 30 L CA -0.581 53.966 54.840 -0.488 0.000 0.930 30 L CB -0.735 41.324 42.059 -0.000 0.000 1.216 30 L HN -0.167 nan 8.230 nan 0.000 0.486 31 P HA 0.194 nan 4.420 nan 0.000 0.276 31 P C -0.216 177.067 177.300 -0.027 0.000 1.230 31 P CA -0.368 62.583 63.100 -0.249 0.000 0.776 31 P CB 0.992 32.535 31.700 -0.261 0.000 0.888 32 A N 3.955 126.783 122.820 0.013 0.000 2.455 32 A HA 0.119 4.439 4.320 -0.000 0.000 0.244 32 A C 0.548 178.179 177.584 0.079 0.000 1.099 32 A CA -0.169 51.914 52.037 0.077 0.000 0.786 32 A CB -0.514 18.481 19.000 -0.009 0.000 1.051 32 A HN 0.525 nan 8.150 nan 0.000 0.508 33 I N 0.165 120.788 120.570 0.087 0.000 2.754 33 I HA 0.051 4.221 4.170 -0.000 0.000 0.285 33 I C 0.754 176.848 176.117 -0.039 0.000 1.166 33 I CA 0.491 61.811 61.300 0.033 0.000 1.417 33 I CB 0.241 38.263 38.000 0.037 0.000 1.382 33 I HN 0.738 nan 8.210 nan 0.000 0.588 34 L N 1.451 122.633 121.223 -0.068 0.000 4.800 34 L HA -0.239 4.101 4.340 -0.000 0.000 0.400 34 L C 0.070 176.923 176.870 -0.027 0.000 0.857 34 L CA 0.202 54.967 54.840 -0.125 0.000 1.908 34 L CB -1.540 40.354 42.059 -0.275 0.000 1.598 34 L HN 0.702 nan 8.230 nan 0.000 0.593 35 N N 1.023 119.717 118.700 -0.011 0.000 2.508 35 N HA 0.538 5.278 4.740 -0.000 0.000 0.264 35 N C 0.217 175.743 175.510 0.026 0.000 1.216 35 N CA 0.772 53.827 53.050 0.008 0.000 0.943 35 N CB 1.036 39.516 38.487 -0.011 0.000 1.113 35 N HN 0.284 nan 8.380 nan 0.000 0.447 36 A N 2.210 125.052 122.820 0.036 0.000 2.276 36 A HA 0.595 4.915 4.320 -0.000 0.000 0.316 36 A C -0.151 177.461 177.584 0.046 0.000 1.229 36 A CA -0.560 51.503 52.037 0.044 0.000 0.851 36 A CB 0.159 19.186 19.000 0.045 0.000 1.165 36 A HN 0.604 nan 8.150 nan 0.000 0.513 37 L N 1.451 122.707 121.223 0.055 0.000 2.365 37 L HA 0.666 5.006 4.340 -0.000 0.000 0.267 37 L C 0.174 177.073 176.870 0.049 0.000 1.033 37 L CA -0.527 54.355 54.840 0.070 0.000 0.802 37 L CB 1.578 43.695 42.059 0.097 0.000 1.267 37 L HN 0.736 nan 8.230 nan 0.000 0.457 38 E N 1.189 121.417 120.200 0.046 0.000 2.331 38 E HA 0.541 4.890 4.350 -0.000 0.000 0.275 38 E C -1.687 174.926 176.600 0.021 0.000 0.895 38 E CA -0.659 55.759 56.400 0.030 0.000 0.753 38 E CB 3.047 32.763 29.700 0.027 0.000 1.216 38 E HN 0.246 nan 8.360 nan 0.000 0.434 39 I N 2.321 122.899 120.570 0.013 0.000 2.466 39 I HA 0.154 4.324 4.170 -0.000 0.000 0.289 39 I C -0.314 175.806 176.117 0.004 0.000 1.026 39 I CA -0.820 60.483 61.300 0.005 0.000 1.078 39 I CB 1.530 39.529 38.000 -0.001 0.000 1.249 39 I HN 0.282 nan 8.210 nan 0.000 0.429 40 K N 4.096 124.497 120.400 0.003 0.000 2.336 40 K HA 0.321 4.641 4.320 -0.000 0.000 0.290 40 K C -0.109 176.491 176.600 0.000 0.000 1.067 40 K CA -0.337 55.951 56.287 0.002 0.000 0.962 40 K CB -0.380 32.121 32.500 0.002 0.000 1.008 40 K HN 0.698 nan 8.250 nan 0.000 0.467 41 T N 0.140 114.695 114.554 0.001 0.000 2.934 41 T HA 0.256 4.606 4.350 -0.000 0.000 0.283 41 T C -1.720 172.980 174.700 0.000 0.000 1.005 41 T CA -2.129 59.971 62.100 0.000 0.000 1.041 41 T CB 1.517 70.386 68.868 0.001 0.000 1.042 41 T HN 0.175 nan 8.240 nan 0.000 0.505 42 P HA -0.131 nan 4.420 nan 0.000 0.216 42 P C 1.375 178.675 177.300 0.000 0.000 1.154 42 P CA 1.213 64.313 63.100 -0.000 0.000 0.865 42 P CB 0.100 31.800 31.700 -0.001 0.000 0.789 43 Q N -1.646 118.154 119.800 0.001 0.000 2.123 43 Q HA 0.216 4.556 4.340 -0.000 0.000 0.196 43 Q C 1.612 177.613 176.000 0.002 0.000 0.958 43 Q CA 1.529 57.333 55.803 0.001 0.000 0.841 43 Q CB -0.562 28.177 28.738 0.001 0.000 0.915 43 Q HN 0.296 nan 8.270 nan 0.000 0.455 44 G N -0.218 108.584 108.800 0.002 0.000 3.535 44 G HA2 0.382 4.342 3.960 -0.000 0.000 0.169 44 G HA3 0.382 4.342 3.960 -0.000 0.000 0.169 44 G C -1.339 173.564 174.900 0.004 0.000 1.241 44 G CA -0.414 44.688 45.100 0.003 0.000 1.334 44 G HN 0.087 nan 8.290 nan 0.000 0.717 45 K N 0.050 120.453 120.400 0.005 0.000 2.619 45 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 45 K C -1.616 174.990 176.600 0.008 0.000 0.987 45 K CA -0.773 55.518 56.287 0.007 0.000 0.844 45 K CB 2.338 34.843 32.500 0.008 0.000 1.237 45 K HN 0.425 nan 8.250 nan 0.000 0.447 46 L N 3.253 124.481 121.223 0.008 0.000 2.410 46 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 46 L C -0.978 175.901 176.870 0.014 0.000 1.144 46 L CA 0.118 54.964 54.840 0.009 0.000 0.863 46 L CB 1.127 43.190 42.059 0.007 0.000 1.140 46 L HN 0.564 nan 8.230 nan 0.000 0.463 47 V N 6.858 126.782 119.914 0.017 0.000 2.459 47 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 47 V C 0.139 176.248 176.094 0.025 0.000 1.029 47 V CA -0.605 61.709 62.300 0.022 0.000 0.874 47 V CB 1.476 33.313 31.823 0.022 0.000 0.985 47 V HN 0.628 nan 8.190 nan 0.000 0.438 48 L N 3.621 124.862 121.223 0.030 0.000 2.333 48 L HA 0.693 5.033 4.340 -0.000 0.000 0.269 48 L C -0.236 176.657 176.870 0.039 0.000 1.010 48 L CA -0.563 54.296 54.840 0.032 0.000 0.818 48 L CB 2.259 44.336 42.059 0.031 0.000 1.306 48 L HN 0.614 nan 8.230 nan 0.000 0.430 49 E N 0.878 121.100 120.200 0.037 0.000 2.218 49 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 49 E C -1.312 175.302 176.600 0.022 0.000 0.879 49 E CA -0.747 55.677 56.400 0.040 0.000 0.762 49 E CB 2.208 31.945 29.700 0.061 0.000 1.166 49 E HN 0.303 nan 8.360 nan 0.000 0.415 50 V N 3.558 123.478 119.914 0.010 0.000 2.599 50 V HA 0.117 4.237 4.120 -0.000 0.000 0.300 50 V C 0.855 176.939 176.094 -0.016 0.000 1.034 50 V CA 1.108 63.399 62.300 -0.015 0.000 1.115 50 V CB 0.850 32.653 31.823 -0.035 0.000 0.934 50 V HN 0.883 nan 8.190 nan 0.000 0.485 51 A N 3.961 126.771 122.820 -0.017 0.000 2.140 51 A HA 0.366 4.685 4.320 -0.000 0.000 0.199 51 A C 0.580 178.167 177.584 0.005 0.000 1.416 51 A CA 0.063 52.095 52.037 -0.008 0.000 1.018 51 A CB 0.534 19.532 19.000 -0.003 0.000 1.117 51 A HN 0.735 nan 8.150 nan 0.000 0.480 52 Q N -0.109 119.688 119.800 -0.005 0.000 2.320 52 Q HA 0.289 4.629 4.340 -0.000 0.000 0.272 52 Q C -1.768 174.224 176.000 -0.013 0.000 1.023 52 Q CA -0.565 55.252 55.803 0.023 0.000 0.855 52 Q CB 1.785 30.534 28.738 0.017 0.000 1.367 52 Q HN 0.541 nan 8.270 nan 0.000 0.406 53 H N 3.790 122.856 119.070 -0.006 0.000 2.820 53 H HA 0.184 4.740 4.556 -0.000 0.000 0.278 53 H C 0.758 176.088 175.328 0.005 0.000 1.142 53 H CA 0.084 56.130 56.048 -0.003 0.000 1.346 53 H CB 0.798 30.549 29.762 -0.018 0.000 1.438 53 H HN 0.565 nan 8.280 nan 0.000 0.473 54 L N 2.481 123.741 121.223 0.063 0.000 2.156 54 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 54 L C 1.261 178.168 176.870 0.062 0.000 1.095 54 L CA 0.877 55.748 54.840 0.052 0.000 0.770 54 L CB 0.061 42.139 42.059 0.033 0.000 0.914 54 L HN 0.788 nan 8.230 nan 0.000 0.439 55 G N -0.701 108.146 108.800 0.078 0.000 2.423 55 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.684 55 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.684 55 G C -0.129 174.811 174.900 0.067 0.000 1.309 55 G CA -0.477 44.666 45.100 0.070 0.000 0.950 55 G HN 0.191 nan 8.290 nan 0.000 0.587 56 E N 0.129 120.366 120.200 0.061 0.000 2.403 56 E HA -0.259 4.091 4.350 -0.000 0.000 0.241 56 E C 0.420 177.064 176.600 0.074 0.000 1.201 56 E CA 0.783 57.225 56.400 0.070 0.000 0.721 56 E CB -1.028 28.718 29.700 0.076 0.000 1.245 56 E HN 1.094 nan 8.360 nan 0.000 0.392 57 N N -0.713 118.010 118.700 0.038 0.000 2.726 57 N HA -0.133 4.607 4.740 -0.000 0.000 0.253 57 N C -1.114 174.346 175.510 -0.083 0.000 1.059 57 N CA 1.786 54.809 53.050 -0.045 0.000 0.701 57 N CB -1.163 37.231 38.487 -0.155 0.000 0.899 57 N HN 0.247 nan 8.380 nan 0.000 0.548 58 T N -0.821 113.748 114.554 0.025 0.000 3.041 58 T HA 0.574 4.924 4.350 -0.000 0.000 0.321 58 T C -0.054 174.643 174.700 -0.005 0.000 1.184 58 T CA -0.654 61.476 62.100 0.050 0.000 1.050 58 T CB 2.641 71.569 68.868 0.100 0.000 1.159 58 T HN 0.186 nan 8.240 nan 0.000 0.469 59 V N 0.869 120.774 119.914 -0.014 0.000 2.769 59 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 59 V C -0.297 175.775 176.094 -0.038 0.000 1.061 59 V CA -1.270 60.963 62.300 -0.111 0.000 0.931 59 V CB 1.872 33.572 31.823 -0.205 0.000 1.010 59 V HN 0.861 nan 8.190 nan 0.000 0.433 60 R N 2.308 122.781 120.500 -0.045 0.000 2.294 60 R HA 0.710 5.050 4.340 -0.000 0.000 0.319 60 R C -0.208 176.083 176.300 -0.014 0.000 0.984 60 R CA 0.210 56.301 56.100 -0.016 0.000 0.861 60 R CB 1.395 31.691 30.300 -0.007 0.000 1.104 60 R HN 1.139 nan 8.270 nan 0.000 0.451 61 T N 1.737 116.290 114.554 -0.001 0.000 2.907 61 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 61 T C -0.155 174.550 174.700 0.008 0.000 1.043 61 T CA -1.001 61.102 62.100 0.005 0.000 1.003 61 T CB 1.284 70.162 68.868 0.016 0.000 1.084 61 T HN 0.444 nan 8.240 nan 0.000 0.483 62 I N 0.364 120.941 120.570 0.012 0.000 2.377 62 I HA 0.796 4.966 4.170 -0.000 0.000 0.293 62 I C 0.485 176.612 176.117 0.016 0.000 0.987 62 I CA -1.391 59.916 61.300 0.012 0.000 1.185 62 I CB 0.723 38.730 38.000 0.011 0.000 1.341 62 I HN 0.940 nan 8.210 nan 0.000 0.455 63 A N 6.275 129.102 122.820 0.012 0.000 2.406 63 A HA 0.466 4.786 4.320 -0.000 0.000 0.243 63 A C 0.826 178.420 177.584 0.016 0.000 1.082 63 A CA -0.117 51.928 52.037 0.013 0.000 0.786 63 A CB 0.274 19.278 19.000 0.008 0.000 1.029 63 A HN 0.868 nan 8.150 nan 0.000 0.495 64 M N 0.016 119.626 119.600 0.018 0.000 2.308 64 M HA 0.234 4.713 4.480 -0.000 0.000 0.269 64 M C -0.141 176.169 176.300 0.017 0.000 1.040 64 M CA 0.407 55.719 55.300 0.020 0.000 1.024 64 M CB -0.589 32.025 32.600 0.023 0.000 1.465 64 M HN 0.864 nan 8.290 nan 0.000 0.517 65 D N -1.090 119.318 120.400 0.013 0.000 2.825 65 D HA 0.480 5.120 4.640 -0.000 0.000 0.327 65 D C -0.508 175.797 176.300 0.007 0.000 1.277 65 D CA -0.210 53.797 54.000 0.011 0.000 0.950 65 D CB 0.922 41.728 40.800 0.010 0.000 1.438 65 D HN 0.067 nan 8.370 nan 0.000 0.526 66 G N -0.701 108.102 108.800 0.006 0.000 2.340 66 G HA2 0.344 4.304 3.960 -0.000 0.000 0.245 66 G HA3 0.344 4.304 3.960 -0.000 0.000 0.245 66 G C 0.867 175.769 174.900 0.002 0.000 1.294 66 G CA 0.637 45.739 45.100 0.003 0.000 0.896 66 G HN 0.416 nan 8.290 nan 0.000 0.522 67 T N -0.568 113.987 114.554 0.001 0.000 3.086 67 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 67 T C 0.768 175.467 174.700 -0.002 0.000 1.074 67 T CA -0.063 62.037 62.100 -0.001 0.000 0.988 67 T CB 0.007 68.874 68.868 -0.001 0.000 0.988 67 T HN 0.613 nan 8.240 nan 0.000 0.530 68 E N 1.851 122.050 120.200 -0.002 0.000 2.271 68 E HA 0.316 4.666 4.350 -0.000 0.000 0.255 68 E C 0.958 177.556 176.600 -0.003 0.000 1.177 68 E CA 0.527 56.926 56.400 -0.003 0.000 0.946 68 E CB -0.258 29.441 29.700 -0.002 0.000 1.009 68 E HN 0.559 nan 8.360 nan 0.000 0.451 69 G N 3.178 111.976 108.800 -0.005 0.000 2.227 69 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.168 69 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.168 69 G C 0.035 174.930 174.900 -0.007 0.000 1.006 69 G CA -0.406 44.690 45.100 -0.005 0.000 0.684 69 G HN 0.463 nan 8.290 nan 0.000 0.489 70 L N 1.795 123.014 121.223 -0.008 0.000 2.360 70 L HA 0.517 4.857 4.340 -0.000 0.000 0.276 70 L C 0.426 177.289 176.870 -0.012 0.000 1.121 70 L CA -0.512 54.322 54.840 -0.010 0.000 0.845 70 L CB 1.385 43.438 42.059 -0.010 0.000 1.143 70 L HN -0.021 nan 8.230 nan 0.000 0.452 71 V N 4.385 124.290 119.914 -0.015 0.000 2.483 71 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 71 V C 0.261 176.341 176.094 -0.023 0.000 1.035 71 V CA -0.938 61.351 62.300 -0.018 0.000 0.896 71 V CB 1.706 33.519 31.823 -0.017 0.000 0.986 71 V HN 0.672 nan 8.190 nan 0.000 0.447 72 R N 2.777 123.262 120.500 -0.025 0.000 2.458 72 R HA 0.412 4.751 4.340 -0.000 0.000 0.303 72 R C 1.055 177.332 176.300 -0.038 0.000 1.013 72 R CA 0.944 57.025 56.100 -0.032 0.000 1.026 72 R CB 0.056 30.337 30.300 -0.032 0.000 0.948 72 R HN 1.209 nan 8.270 nan 0.000 0.417 73 G N 2.260 111.033 108.800 -0.046 0.000 2.173 73 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.174 73 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.174 73 G C -0.250 174.621 174.900 -0.047 0.000 1.025 73 G CA -0.644 44.424 45.100 -0.053 0.000 0.706 73 G HN 0.580 nan 8.290 nan 0.000 0.499 74 E N -0.014 120.158 120.200 -0.046 0.000 2.248 74 E HA 0.387 4.737 4.350 -0.000 0.000 0.272 74 E C 0.416 176.986 176.600 -0.050 0.000 1.008 74 E CA -0.844 55.532 56.400 -0.040 0.000 0.856 74 E CB 1.308 30.991 29.700 -0.029 0.000 1.120 74 E HN 0.241 nan 8.360 nan 0.000 0.397 75 K N 1.623 121.999 120.400 -0.040 0.000 2.447 75 K HA 0.076 4.396 4.320 -0.000 0.000 0.281 75 K C -1.089 175.487 176.600 -0.039 0.000 1.031 75 K CA 0.012 56.274 56.287 -0.042 0.000 1.019 75 K CB 0.387 32.873 32.500 -0.022 0.000 0.918 75 K HN 0.163 nan 8.250 nan 0.000 0.476 76 V N 7.006 126.884 119.914 -0.059 0.000 2.305 76 V HA 0.140 4.260 4.120 -0.000 0.000 0.275 76 V C -0.389 175.720 176.094 0.025 0.000 1.020 76 V CA -0.955 61.327 62.300 -0.030 0.000 0.811 76 V CB 0.852 32.635 31.823 -0.068 0.000 1.031 76 V HN 0.699 nan 8.190 nan 0.000 0.439 77 L N 3.842 125.090 121.223 0.042 0.000 2.453 77 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 77 L C 0.088 177.018 176.870 0.100 0.000 1.182 77 L CA 0.694 55.574 54.840 0.067 0.000 0.858 77 L CB 0.792 42.877 42.059 0.043 0.000 1.120 77 L HN 0.635 nan 8.230 nan 0.000 0.474 78 D N 1.719 122.194 120.400 0.125 0.000 2.232 78 D HA 0.205 4.845 4.640 -0.000 0.000 0.242 78 D C 0.993 177.326 176.300 0.055 0.000 1.093 78 D CA 0.309 54.373 54.000 0.106 0.000 0.845 78 D CB 1.593 42.455 40.800 0.105 0.000 1.124 78 D HN 0.733 nan 8.370 nan 0.000 0.467 79 T N 0.754 115.333 114.554 0.041 0.000 2.942 79 T HA 0.262 4.612 4.350 -0.000 0.000 0.265 79 T C 1.422 176.132 174.700 0.016 0.000 1.062 79 T CA 1.040 63.156 62.100 0.026 0.000 1.139 79 T CB 0.102 68.985 68.868 0.025 0.000 0.883 79 T HN 0.617 nan 8.240 nan 0.000 0.468 80 G N 0.518 109.323 108.800 0.009 0.000 2.953 80 G HA2 0.102 4.062 3.960 -0.000 0.000 0.201 80 G HA3 0.102 4.062 3.960 -0.000 0.000 0.201 80 G C 0.451 175.348 174.900 -0.004 0.000 1.501 80 G CA -0.077 45.021 45.100 -0.003 0.000 1.094 80 G HN 1.012 nan 8.290 nan 0.000 0.555 81 G N 0.853 109.657 108.800 0.007 0.000 2.971 81 G HA2 0.761 4.721 3.960 -0.000 0.000 0.235 81 G HA3 0.761 4.721 3.960 -0.000 0.000 0.235 81 G C -2.642 172.275 174.900 0.028 0.000 1.351 81 G CA -0.472 44.636 45.100 0.013 0.000 1.039 81 G HN 0.457 nan 8.290 nan 0.000 0.563 82 P HA 0.203 nan 4.420 nan 0.000 0.288 82 P C -0.064 177.279 177.300 0.071 0.000 1.291 82 P CA -0.411 62.744 63.100 0.093 0.000 0.766 82 P CB 0.492 32.294 31.700 0.170 0.000 1.242 83 I N -0.009 120.611 120.570 0.082 0.000 2.587 83 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 83 I C 0.731 176.856 176.117 0.014 0.000 1.134 83 I CA 0.375 61.699 61.300 0.039 0.000 1.410 83 I CB -0.196 37.822 38.000 0.030 0.000 1.392 83 I HN 0.269 nan 8.210 nan 0.000 0.545 84 S N 6.549 122.252 115.700 0.004 0.000 2.525 84 S HA 0.766 5.236 4.470 -0.000 0.000 0.290 84 S C -0.385 174.200 174.600 -0.025 0.000 1.152 84 S CA -0.763 57.430 58.200 -0.011 0.000 1.072 84 S CB 1.917 65.112 63.200 -0.009 0.000 1.027 84 S HN 0.506 nan 8.310 nan 0.000 0.500 85 V N -1.595 118.295 119.914 -0.041 0.000 2.789 85 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 85 V C -2.985 173.061 176.094 -0.080 0.000 1.073 85 V CA -2.882 59.386 62.300 -0.054 0.000 0.921 85 V CB 1.587 33.377 31.823 -0.055 0.000 1.009 85 V HN 0.785 nan 8.190 nan 0.000 0.426 86 P HA 0.261 nan 4.420 nan 0.000 0.268 86 P C -0.324 176.864 177.300 -0.188 0.000 1.204 86 P CA 0.289 63.313 63.100 -0.127 0.000 0.768 86 P CB 1.303 32.945 31.700 -0.097 0.000 0.842 87 V N -0.472 119.253 119.914 -0.316 0.000 3.074 87 V HA 0.986 5.106 4.120 -0.000 0.000 0.314 87 V C 0.245 175.891 176.094 -0.747 0.000 1.117 87 V CA -0.049 61.934 62.300 -0.528 0.000 1.014 87 V CB 1.180 32.603 31.823 -0.666 0.000 1.057 87 V HN 0.998 nan 8.190 nan 0.000 0.438 88 G N 2.176 110.420 108.800 -0.926 0.000 2.396 88 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.254 88 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.254 88 G C 0.013 174.789 174.900 -0.207 0.000 1.248 88 G CA 0.003 44.678 45.100 -0.707 0.000 1.033 88 G HN 0.875 nan 8.290 nan 0.000 0.502 89 R N 0.200 120.665 120.500 -0.059 0.000 2.246 89 R HA 0.108 4.448 4.340 -0.000 0.000 0.199 89 R C 1.794 178.061 176.300 -0.055 0.000 0.984 89 R CA 0.677 56.763 56.100 -0.024 0.000 1.015 89 R CB 0.036 30.320 30.300 -0.026 0.000 0.930 89 R HN 0.499 nan 8.270 nan 0.000 0.475 90 E N 0.378 120.538 120.200 -0.066 0.000 2.409 90 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 90 E C 1.540 178.114 176.600 -0.043 0.000 1.024 90 E CA 1.398 57.767 56.400 -0.052 0.000 0.861 90 E CB 0.233 29.895 29.700 -0.063 0.000 0.788 90 E HN 0.409 nan 8.360 nan 0.000 0.521 91 T N -2.012 112.516 114.554 -0.043 0.000 3.051 91 T HA 0.118 4.468 4.350 -0.000 0.000 0.255 91 T C 1.240 175.938 174.700 -0.003 0.000 1.085 91 T CA -0.228 61.858 62.100 -0.022 0.000 1.109 91 T CB -0.051 68.804 68.868 -0.022 0.000 0.921 91 T HN -0.062 nan 8.240 nan 0.000 0.488 92 L N 2.367 123.576 121.223 -0.023 0.000 2.559 92 L HA 0.358 4.698 4.340 -0.000 0.000 0.274 92 L C 1.492 178.371 176.870 0.014 0.000 1.205 92 L CA 1.162 55.978 54.840 -0.039 0.000 0.907 92 L CB -0.122 41.847 42.059 -0.151 0.000 1.153 92 L HN 0.634 nan 8.230 nan 0.000 0.490 93 G N 2.267 111.098 108.800 0.051 0.000 2.149 93 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 93 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 93 G C 0.023 174.988 174.900 0.108 0.000 1.018 93 G CA -0.503 44.657 45.100 0.099 0.000 0.728 93 G HN 0.466 nan 8.290 nan 0.000 0.508 94 R N -1.033 119.505 120.500 0.063 0.000 2.807 94 R HA 0.713 5.053 4.340 -0.000 0.000 0.276 94 R C -0.616 175.682 176.300 -0.004 0.000 0.979 94 R CA -1.183 54.935 56.100 0.030 0.000 0.928 94 R CB 1.164 31.472 30.300 0.014 0.000 1.191 94 R HN 0.118 nan 8.270 nan 0.000 0.471 95 I N 3.075 123.620 120.570 -0.041 0.000 2.312 95 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 95 I C -0.084 176.045 176.117 0.022 0.000 1.008 95 I CA -0.146 61.152 61.300 -0.003 0.000 1.226 95 I CB 0.836 38.820 38.000 -0.028 0.000 1.371 95 I HN 0.248 nan 8.210 nan 0.000 0.468 96 I N 6.342 126.925 120.570 0.021 0.000 2.404 96 I HA 0.340 4.510 4.170 -0.000 0.000 0.293 96 I C 0.235 176.372 176.117 0.034 0.000 0.992 96 I CA -0.754 60.554 61.300 0.013 0.000 1.149 96 I CB 1.191 39.183 38.000 -0.014 0.000 1.315 96 I HN 0.587 nan 8.210 nan 0.000 0.446 97 N N 5.631 124.353 118.700 0.037 0.000 2.332 97 N HA 0.046 4.786 4.740 -0.000 0.000 0.282 97 N C 0.908 176.429 175.510 0.019 0.000 1.288 97 N CA -0.449 52.628 53.050 0.045 0.000 0.949 97 N CB 0.261 38.772 38.487 0.040 0.000 1.108 97 N HN 0.314 nan 8.380 nan 0.000 0.542 98 V N -0.254 119.671 119.914 0.020 0.000 2.358 98 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 98 V C 2.043 178.135 176.094 -0.003 0.000 1.047 98 V CA 2.072 64.376 62.300 0.005 0.000 1.035 98 V CB -0.912 30.919 31.823 0.015 0.000 0.658 98 V HN 0.660 nan 8.190 nan 0.000 0.452 99 I N -0.775 119.797 120.570 0.004 0.000 2.928 99 I HA 0.392 4.562 4.170 -0.000 0.000 0.266 99 I C 1.653 177.767 176.117 -0.006 0.000 1.234 99 I CA 1.573 62.875 61.300 0.002 0.000 1.483 99 I CB -0.171 37.834 38.000 0.009 0.000 1.097 99 I HN 0.371 nan 8.210 nan 0.000 0.455 100 G N 0.717 109.511 108.800 -0.009 0.000 2.481 100 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.200 100 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.200 100 G C 0.256 175.148 174.900 -0.014 0.000 1.012 100 G CA -0.044 45.045 45.100 -0.017 0.000 0.676 100 G HN 0.789 nan 8.290 nan 0.000 0.488 101 E N 2.594 122.790 120.200 -0.007 0.000 2.438 101 E HA 0.444 4.794 4.350 -0.000 0.000 0.261 101 E C -2.361 174.238 176.600 -0.002 0.000 1.103 101 E CA -0.990 55.407 56.400 -0.005 0.000 0.959 101 E CB 0.779 30.479 29.700 -0.000 0.000 0.958 101 E HN 0.327 nan 8.360 nan 0.000 0.447 102 P HA 0.147 nan 4.420 nan 0.000 0.281 102 P C 0.183 177.483 177.300 0.000 0.000 1.264 102 P CA -0.432 62.667 63.100 -0.001 0.000 0.824 102 P CB 0.757 32.455 31.700 -0.003 0.000 1.092 103 I N -2.028 118.540 120.570 -0.004 0.000 4.050 103 I HA 0.193 4.362 4.170 -0.000 0.000 0.328 103 I C -0.009 176.090 176.117 -0.029 0.000 1.439 103 I CA -0.163 61.131 61.300 -0.010 0.000 1.099 103 I CB -0.461 37.537 38.000 -0.003 0.000 1.469 103 I HN 0.093 nan 8.210 nan 0.000 0.572 104 D N 0.692 121.071 120.400 -0.035 0.000 2.328 104 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 104 D C 0.552 176.861 176.300 0.016 0.000 1.072 104 D CA 0.094 54.069 54.000 -0.043 0.000 0.850 104 D CB 0.066 40.817 40.800 -0.082 0.000 0.922 104 D HN 0.237 nan 8.370 nan 0.000 0.516 105 E N -0.280 119.927 120.200 0.012 0.000 2.868 105 E HA -0.242 4.108 4.350 -0.000 0.000 0.278 105 E C 0.371 176.987 176.600 0.028 0.000 1.009 105 E CA 0.317 56.729 56.400 0.020 0.000 0.856 105 E CB -1.509 28.207 29.700 0.026 0.000 1.428 105 E HN 0.540 nan 8.360 nan 0.000 0.423 106 R N -0.004 120.512 120.500 0.027 0.000 2.427 106 R HA 0.264 4.604 4.340 -0.000 0.000 0.262 106 R C 1.015 177.327 176.300 0.019 0.000 0.943 106 R CA 0.525 56.643 56.100 0.030 0.000 1.081 106 R CB 0.663 30.989 30.300 0.042 0.000 1.166 106 R HN 0.298 nan 8.270 nan 0.000 0.534 107 G N 2.203 111.011 108.800 0.013 0.000 2.846 107 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.660 107 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.660 107 G C -2.421 172.481 174.900 0.004 0.000 1.464 107 G CA -1.253 43.852 45.100 0.008 0.000 0.891 107 G HN 0.031 nan 8.290 nan 0.000 0.552 108 P HA 0.276 nan 4.420 nan 0.000 0.267 108 P C 0.142 177.438 177.300 -0.007 0.000 1.195 108 P CA 0.052 63.150 63.100 -0.004 0.000 0.773 108 P CB 0.232 31.928 31.700 -0.005 0.000 0.837 109 I N 1.954 122.516 120.570 -0.014 0.000 2.304 109 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 109 I C 0.850 176.951 176.117 -0.027 0.000 1.018 109 I CA 0.052 61.340 61.300 -0.020 0.000 1.260 109 I CB 0.482 38.465 38.000 -0.028 0.000 1.390 109 I HN 0.058 nan 8.210 nan 0.000 0.475 110 K N 4.444 124.830 120.400 -0.023 0.000 2.278 110 K HA 0.194 4.514 4.320 -0.000 0.000 0.237 110 K C 0.281 176.858 176.600 -0.039 0.000 1.229 110 K CA -0.098 56.174 56.287 -0.026 0.000 1.155 110 K CB 0.173 32.663 32.500 -0.016 0.000 1.590 110 K HN 0.631 nan 8.250 nan 0.000 0.290 111 S N 1.002 116.668 115.700 -0.055 0.000 2.672 111 S HA 0.171 4.641 4.470 -0.000 0.000 0.276 111 S C 1.078 175.631 174.600 -0.079 0.000 1.207 111 S CA -0.645 57.504 58.200 -0.084 0.000 1.002 111 S CB 1.421 64.550 63.200 -0.118 0.000 0.998 111 S HN 0.562 nan 8.310 nan 0.000 0.542 112 K N 1.663 122.004 120.400 -0.099 0.000 1.997 112 K HA 0.217 4.537 4.320 -0.000 0.000 0.212 112 K C 0.511 177.068 176.600 -0.072 0.000 1.033 112 K CA 0.608 56.854 56.287 -0.070 0.000 0.950 112 K CB -0.325 32.142 32.500 -0.055 0.000 0.751 112 K HN 0.645 nan 8.250 nan 0.000 0.444 113 L N 0.055 121.215 121.223 -0.104 0.000 2.569 113 L HA 0.392 4.732 4.340 -0.000 0.000 0.247 113 L C 0.187 176.992 176.870 -0.109 0.000 1.135 113 L CA -0.834 53.959 54.840 -0.078 0.000 0.812 113 L CB 0.806 42.849 42.059 -0.028 0.000 1.431 113 L HN 0.229 nan 8.230 nan 0.000 0.499 114 R N 0.786 121.243 120.500 -0.072 0.000 2.659 114 R HA 0.270 4.610 4.340 -0.000 0.000 0.290 114 R C -1.542 174.733 176.300 -0.041 0.000 1.253 114 R CA -0.517 55.541 56.100 -0.071 0.000 1.010 114 R CB 1.167 31.436 30.300 -0.051 0.000 1.236 114 R HN 0.515 nan 8.270 nan 0.000 0.413 115 K N 4.111 124.484 120.400 -0.046 0.000 2.110 115 K HA 0.455 4.775 4.320 -0.000 0.000 0.263 115 K C -2.463 174.127 176.600 -0.017 0.000 0.975 115 K CA -2.029 54.249 56.287 -0.015 0.000 0.895 115 K CB 1.681 34.184 32.500 0.004 0.000 1.060 115 K HN 0.271 nan 8.250 nan 0.000 0.448 116 P HA 0.002 nan 4.420 nan 0.000 0.272 116 P C 0.852 178.143 177.300 -0.015 0.000 1.223 116 P CA -0.390 62.715 63.100 0.010 0.000 0.784 116 P CB 0.379 32.103 31.700 0.041 0.000 0.923 117 I N -0.916 119.623 120.570 -0.052 0.000 2.500 117 I HA -0.029 4.141 4.170 -0.000 0.000 0.252 117 I C 0.354 176.348 176.117 -0.206 0.000 1.142 117 I CA 1.540 62.748 61.300 -0.154 0.000 1.451 117 I CB -1.398 36.459 38.000 -0.239 0.000 1.093 117 I HN 0.265 nan 8.210 nan 0.000 0.430 118 H N 2.641 121.710 119.070 -0.001 0.000 2.580 118 H HA 0.751 5.307 4.556 -0.000 0.000 0.322 118 H C -0.321 175.008 175.328 0.000 0.000 1.082 118 H CA 0.151 56.200 56.048 0.002 0.000 1.383 118 H CB 1.502 31.269 29.762 0.008 0.000 1.450 118 H HN 0.454 nan 8.280 nan 0.000 0.505 119 A N 3.434 126.321 122.820 0.112 0.000 2.608 119 A HA 0.243 4.563 4.320 -0.000 0.000 0.292 119 A C -1.153 176.463 177.584 0.053 0.000 1.066 119 A CA -0.969 51.107 52.037 0.064 0.000 0.676 119 A CB 1.453 20.472 19.000 0.032 0.000 1.277 119 A HN 0.595 nan 8.150 nan 0.000 0.413 120 D N 2.117 122.540 120.400 0.039 0.000 2.308 120 D HA 0.452 5.092 4.640 -0.000 0.000 0.251 120 D C -2.267 174.049 176.300 0.026 0.000 1.127 120 D CA -0.484 53.536 54.000 0.034 0.000 0.876 120 D CB 0.926 41.743 40.800 0.029 0.000 1.176 120 D HN 0.199 nan 8.370 nan 0.000 0.446 121 P HA 0.110 nan 4.420 nan 0.000 0.266 121 P C -2.382 174.933 177.300 0.025 0.000 1.195 121 P CA -0.731 62.384 63.100 0.024 0.000 0.768 121 P CB -0.323 31.396 31.700 0.033 0.000 0.838 122 P HA -0.079 nan 4.420 nan 0.000 0.264 122 P C 0.292 177.609 177.300 0.028 0.000 1.173 122 P CA 0.466 63.571 63.100 0.010 0.000 0.761 122 P CB 0.260 31.956 31.700 -0.008 0.000 0.794 123 S N 2.136 117.855 115.700 0.031 0.000 2.576 123 S HA 0.005 4.474 4.470 -0.000 0.000 0.272 123 S C 0.998 175.651 174.600 0.087 0.000 1.352 123 S CA -0.461 57.779 58.200 0.067 0.000 1.021 123 S CB -0.235 62.998 63.200 0.056 0.000 0.887 123 S HN 0.418 nan 8.310 nan 0.000 0.542 124 F N 3.211 123.159 119.950 -0.004 0.000 2.307 124 F HA -0.010 4.517 4.527 0.000 0.000 0.301 124 F C 2.016 177.812 175.800 -0.006 0.000 1.076 124 F CA 1.624 59.621 58.000 -0.005 0.000 1.383 124 F CB -0.606 38.392 39.000 -0.004 0.000 1.055 124 F HN 0.661 nan 8.300 nan 0.000 0.526 125 A N -0.064 122.752 122.820 -0.007 0.000 1.930 125 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 125 A C 2.041 179.549 177.584 -0.127 0.000 1.176 125 A CA 1.325 53.312 52.037 -0.083 0.000 0.632 125 A CB -0.625 18.385 19.000 0.017 0.000 0.819 125 A HN 0.506 nan 8.150 nan 0.000 0.445 126 E N 0.287 120.436 120.200 -0.085 0.000 2.418 126 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 126 E C 0.119 176.655 176.600 -0.106 0.000 1.026 126 E CA 0.052 56.406 56.400 -0.076 0.000 0.862 126 E CB 0.029 29.703 29.700 -0.043 0.000 0.799 126 E HN 0.554 nan 8.360 nan 0.000 0.518 127 Q N 0.879 120.581 119.800 -0.165 0.000 2.392 127 Q HA 0.078 4.418 4.340 -0.000 0.000 0.262 127 Q C -0.074 175.823 176.000 -0.171 0.000 1.003 127 Q CA 0.128 55.827 55.803 -0.173 0.000 0.888 127 Q CB 1.396 29.988 28.738 -0.243 0.000 1.260 127 Q HN -0.037 nan 8.270 nan 0.000 0.435 128 S N 0.634 116.262 115.700 -0.121 0.000 2.499 128 S HA 0.090 4.560 4.470 -0.000 0.000 0.275 128 S C 1.101 175.637 174.600 -0.107 0.000 1.257 128 S CA -0.226 57.914 58.200 -0.100 0.000 1.050 128 S CB 0.373 63.531 63.200 -0.070 0.000 0.937 128 S HN 0.634 nan 8.310 nan 0.000 0.490 129 T N 1.712 116.205 114.554 -0.101 0.000 3.160 129 T HA 0.183 4.533 4.350 -0.000 0.000 0.257 129 T C 0.362 175.029 174.700 -0.056 0.000 1.147 129 T CA -0.059 61.988 62.100 -0.089 0.000 1.064 129 T CB -0.122 68.699 68.868 -0.079 0.000 0.949 129 T HN 0.342 nan 8.240 nan 0.000 0.526 130 S N 0.784 116.454 115.700 -0.050 0.000 2.538 130 S HA 0.736 5.206 4.470 -0.000 0.000 0.288 130 S C -0.472 174.108 174.600 -0.034 0.000 1.108 130 S CA -0.968 57.210 58.200 -0.035 0.000 0.971 130 S CB 1.739 64.922 63.200 -0.029 0.000 1.041 130 S HN 0.613 nan 8.310 nan 0.000 0.483 131 A N 3.041 125.844 122.820 -0.027 0.000 2.328 131 A HA 0.649 4.968 4.320 -0.000 0.000 0.284 131 A C 0.188 177.760 177.584 -0.021 0.000 1.160 131 A CA -0.552 51.470 52.037 -0.025 0.000 0.818 131 A CB 0.185 19.172 19.000 -0.021 0.000 1.087 131 A HN 0.831 nan 8.150 nan 0.000 0.504 132 E N 1.745 121.931 120.200 -0.022 0.000 2.339 132 E HA 0.690 5.040 4.350 -0.000 0.000 0.262 132 E C -1.407 175.185 176.600 -0.012 0.000 0.934 132 E CA -0.911 55.479 56.400 -0.017 0.000 0.802 132 E CB 1.150 30.838 29.700 -0.020 0.000 1.275 132 E HN 0.363 nan 8.360 nan 0.000 0.427 133 I N 0.941 121.509 120.570 -0.004 0.000 2.428 133 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 133 I C -0.588 175.534 176.117 0.008 0.000 0.985 133 I CA -0.761 60.545 61.300 0.010 0.000 1.260 133 I CB 1.150 39.156 38.000 0.010 0.000 1.389 133 I HN 0.408 nan 8.210 nan 0.000 0.484 134 L N 5.365 126.601 121.223 0.021 0.000 2.287 134 L HA 0.442 4.781 4.340 -0.000 0.000 0.287 134 L C -0.205 176.701 176.870 0.060 0.000 1.022 134 L CA -0.103 54.727 54.840 -0.017 0.000 0.814 134 L CB 0.841 42.877 42.059 -0.039 0.000 1.217 134 L HN 0.544 nan 8.230 nan 0.000 0.420 135 E N 2.117 122.426 120.200 0.181 0.000 2.324 135 E HA 0.109 4.459 4.350 -0.000 0.000 0.271 135 E C 0.467 177.153 176.600 0.144 0.000 1.028 135 E CA 0.591 57.096 56.400 0.175 0.000 0.890 135 E CB 0.846 30.647 29.700 0.169 0.000 1.004 135 E HN 0.773 nan 8.360 nan 0.000 0.431 136 T N -0.142 114.399 114.554 -0.021 0.000 3.015 136 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 136 T C 1.371 176.015 174.700 -0.093 0.000 1.057 136 T CA 0.192 62.232 62.100 -0.100 0.000 1.066 136 T CB 0.381 69.072 68.868 -0.295 0.000 0.959 136 T HN 0.665 nan 8.240 nan 0.000 0.488 137 G N 1.597 110.359 108.800 -0.064 0.000 2.132 137 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.228 137 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.228 137 G C -0.119 174.760 174.900 -0.036 0.000 1.000 137 G CA 0.054 45.124 45.100 -0.051 0.000 0.693 137 G HN 0.667 nan 8.290 nan 0.000 0.515 138 I N -0.010 120.532 120.570 -0.047 0.000 2.410 138 I HA 0.289 4.458 4.170 -0.000 0.000 0.286 138 I C 1.426 177.547 176.117 0.006 0.000 1.009 138 I CA -1.000 60.298 61.300 -0.003 0.000 1.111 138 I CB 1.564 39.549 38.000 -0.025 0.000 1.262 138 I HN -0.039 nan 8.210 nan 0.000 0.443 139 K N 3.268 123.671 120.400 0.005 0.000 2.001 139 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 139 K C 1.774 178.386 176.600 0.021 0.000 1.050 139 K CA 1.554 57.855 56.287 0.022 0.000 0.934 139 K CB -0.118 32.380 32.500 -0.003 0.000 0.718 139 K HN 0.505 nan 8.250 nan 0.000 0.443 140 V N 1.128 121.066 119.914 0.040 0.000 2.252 140 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 140 V C 2.357 178.479 176.094 0.047 0.000 1.056 140 V CA 1.874 64.200 62.300 0.044 0.000 1.022 140 V CB -0.685 31.201 31.823 0.106 0.000 0.641 140 V HN 0.109 nan 8.190 nan 0.000 0.445 141 V N 0.255 120.213 119.914 0.073 0.000 2.223 141 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 141 V C 2.038 178.149 176.094 0.029 0.000 1.045 141 V CA 2.249 64.580 62.300 0.051 0.000 1.000 141 V CB -0.761 31.017 31.823 -0.075 0.000 0.635 141 V HN 0.542 nan 8.190 nan 0.000 0.445 142 D N -0.516 119.889 120.400 0.008 0.000 2.407 142 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 142 D C 1.418 177.819 176.300 0.169 0.000 1.029 142 D CA 0.735 54.770 54.000 0.058 0.000 0.937 142 D CB 0.462 41.291 40.800 0.048 0.000 0.882 142 D HN 0.367 nan 8.370 nan 0.000 0.531 143 L N -1.177 120.108 121.223 0.104 0.000 2.588 143 L HA 0.162 4.502 4.340 -0.000 0.000 0.194 143 L C 1.702 178.650 176.870 0.130 0.000 1.070 143 L CA 0.474 55.387 54.840 0.122 0.000 0.852 143 L CB 0.079 42.005 42.059 -0.221 0.000 1.199 143 L HN -0.147 nan 8.230 nan 0.000 0.486 144 L N -0.105 121.128 121.223 0.017 0.000 2.253 144 L HA 0.378 4.718 4.340 -0.000 0.000 0.205 144 L C 0.657 177.551 176.870 0.040 0.000 1.078 144 L CA 0.617 55.460 54.840 0.005 0.000 0.805 144 L CB -0.185 41.862 42.059 -0.021 0.000 0.963 144 L HN 0.254 nan 8.230 nan 0.000 0.459 145 A N 0.834 123.701 122.820 0.078 0.000 3.127 145 A HA 0.461 4.781 4.320 -0.000 0.000 0.319 145 A C -2.612 175.085 177.584 0.188 0.000 1.104 145 A CA -1.037 51.073 52.037 0.122 0.000 0.802 145 A CB -0.064 19.029 19.000 0.154 0.000 1.193 145 A HN -0.145 nan 8.150 nan 0.000 0.479 146 P HA 0.085 nan 4.420 nan 0.000 0.267 146 P C -0.825 176.639 177.300 0.272 0.000 1.205 146 P CA 0.407 63.586 63.100 0.131 0.000 0.765 146 P CB 0.415 32.124 31.700 0.014 0.000 0.828 147 Y N 1.564 121.876 120.300 0.019 0.000 2.411 147 Y HA 0.275 4.825 4.550 -0.000 0.000 0.333 147 Y C 1.248 177.135 175.900 -0.022 0.000 1.186 147 Y CA -1.135 56.968 58.100 0.005 0.000 1.381 147 Y CB 0.030 38.499 38.460 0.015 0.000 1.273 147 Y HN 0.398 nan 8.280 nan 0.000 0.546 148 A N 4.782 127.648 122.820 0.076 0.000 2.320 148 A HA 0.388 4.708 4.320 -0.000 0.000 0.287 148 A C 0.430 178.009 177.584 -0.007 0.000 1.181 148 A CA -0.837 51.209 52.037 0.015 0.000 0.831 148 A CB 0.022 19.009 19.000 -0.021 0.000 1.102 148 A HN 0.820 nan 8.150 nan 0.000 0.513 149 R N 2.349 122.837 120.500 -0.021 0.000 2.446 149 R HA 0.306 4.646 4.340 -0.000 0.000 0.325 149 R C 1.089 177.355 176.300 -0.057 0.000 0.997 149 R CA 1.411 57.478 56.100 -0.054 0.000 1.010 149 R CB -0.297 29.962 30.300 -0.069 0.000 0.946 149 R HN 1.683 nan 8.270 nan 0.000 0.422 150 G N 2.729 111.489 108.800 -0.066 0.000 2.225 150 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 150 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 150 G C 0.060 174.922 174.900 -0.063 0.000 1.060 150 G CA 0.009 45.070 45.100 -0.064 0.000 0.833 150 G HN 0.924 nan 8.290 nan 0.000 0.498 151 G N -1.157 107.599 108.800 -0.074 0.000 2.600 151 G HA2 0.733 4.693 3.960 -0.000 0.000 0.303 151 G HA3 0.733 4.693 3.960 -0.000 0.000 0.303 151 G C -0.717 174.110 174.900 -0.121 0.000 1.253 151 G CA -0.981 44.071 45.100 -0.081 0.000 0.974 151 G HN 0.305 nan 8.290 nan 0.000 0.483 152 K N -0.232 120.095 120.400 -0.123 0.000 2.213 152 K HA 0.628 4.948 4.320 -0.000 0.000 0.270 152 K C -0.916 175.550 176.600 -0.223 0.000 1.002 152 K CA -0.264 55.928 56.287 -0.158 0.000 0.868 152 K CB 1.821 34.257 32.500 -0.106 0.000 1.093 152 K HN 0.212 nan 8.250 nan 0.000 0.454 153 I N 1.463 121.858 120.570 -0.293 0.000 2.436 153 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 153 I C 0.329 176.257 176.117 -0.315 0.000 1.010 153 I CA -0.444 60.631 61.300 -0.375 0.000 1.098 153 I CB 2.184 39.776 38.000 -0.680 0.000 1.266 153 I HN 0.637 nan 8.210 nan 0.000 0.434 154 G N 6.115 114.726 108.800 -0.315 0.000 2.327 154 G HA2 0.536 4.496 3.960 -0.000 0.000 0.302 154 G HA3 0.536 4.496 3.960 -0.000 0.000 0.302 154 G C -1.034 173.616 174.900 -0.417 0.000 1.113 154 G CA -0.297 44.555 45.100 -0.413 0.000 0.921 154 G HN 0.440 nan 8.290 nan 0.000 0.425 155 L N 2.699 123.644 121.223 -0.463 0.000 2.309 155 L HA 0.818 5.158 4.340 -0.000 0.000 0.282 155 L C -1.038 175.507 176.870 -0.541 0.000 1.036 155 L CA -0.703 53.943 54.840 -0.325 0.000 0.806 155 L CB 0.914 42.895 42.059 -0.130 0.000 1.220 155 L HN 0.417 nan 8.230 nan 0.000 0.429 156 F N 2.001 121.939 119.950 -0.019 0.000 2.661 156 F HA 0.863 5.390 4.527 -0.000 0.000 0.347 156 F C 0.767 176.562 175.800 -0.009 0.000 1.086 156 F CA -0.306 57.697 58.000 0.004 0.000 1.016 156 F CB 1.470 40.477 39.000 0.010 0.000 1.368 156 F HN 0.684 nan 8.300 nan 0.000 0.505 157 G N 0.132 109.070 108.800 0.229 0.000 2.879 157 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 157 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 157 G C -0.027 174.933 174.900 0.101 0.000 1.115 157 G CA -0.542 44.632 45.100 0.123 0.000 0.770 157 G HN 1.175 nan 8.290 nan 0.000 0.601 158 G N 0.900 109.755 108.800 0.093 0.000 3.226 158 G HA2 0.856 4.816 3.960 -0.000 0.000 0.190 158 G HA3 0.856 4.816 3.960 -0.000 0.000 0.190 158 G C 0.809 175.755 174.900 0.077 0.000 1.988 158 G CA 0.972 46.127 45.100 0.091 0.000 0.859 158 G HN 2.179 nan 8.290 nan 0.000 0.631 159 A N -2.028 120.834 122.820 0.071 0.000 2.294 159 A HA 0.614 4.934 4.320 -0.000 0.000 0.330 159 A C 1.051 178.673 177.584 0.063 0.000 1.133 159 A CA 0.549 52.623 52.037 0.062 0.000 0.836 159 A CB 0.621 19.654 19.000 0.055 0.000 1.190 159 A HN 2.292 nan 8.150 nan 0.000 0.492 160 G N -0.795 108.043 108.800 0.064 0.000 2.147 160 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.244 160 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.244 160 G C 0.558 175.524 174.900 0.110 0.000 1.005 160 G CA 1.031 46.178 45.100 0.079 0.000 0.713 160 G HN 2.136 nan 8.290 nan 0.000 0.515 161 V N -4.350 115.631 119.914 0.111 0.000 3.562 161 V HA 0.697 4.817 4.120 -0.000 0.000 0.270 161 V C 1.633 177.839 176.094 0.186 0.000 1.418 161 V CA 1.091 63.469 62.300 0.130 0.000 1.033 161 V CB 0.384 32.256 31.823 0.081 0.000 0.820 161 V HN 2.188 nan 8.190 nan 0.000 0.441 162 G N 1.522 110.416 108.800 0.156 0.000 2.288 162 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.205 162 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.205 162 G C 0.524 175.521 174.900 0.162 0.000 1.071 162 G CA 0.555 45.761 45.100 0.177 0.000 0.788 162 G HN 0.592 nan 8.290 nan 0.000 0.491 163 K N -0.586 119.870 120.400 0.092 0.000 2.021 163 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 163 K C 2.606 179.235 176.600 0.048 0.000 1.047 163 K CA 1.666 57.997 56.287 0.073 0.000 0.943 163 K CB -0.249 32.280 32.500 0.049 0.000 0.725 163 K HN 0.257 nan 8.250 nan 0.000 0.439 164 T N 1.050 115.604 114.554 -0.001 0.000 2.721 164 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 164 T C 1.835 176.471 174.700 -0.107 0.000 1.038 164 T CA 1.623 63.679 62.100 -0.073 0.000 1.145 164 T CB -0.183 68.640 68.868 -0.076 0.000 0.858 164 T HN 0.016 nan 8.240 nan 0.000 0.459 165 V N 0.445 120.318 119.914 -0.069 0.000 2.346 165 V HA -0.017 4.103 4.120 -0.000 0.000 0.244 165 V C 1.929 177.900 176.094 -0.205 0.000 1.037 165 V CA 1.204 63.437 62.300 -0.111 0.000 1.029 165 V CB -0.781 31.018 31.823 -0.040 0.000 0.663 165 V HN 0.368 nan 8.190 nan 0.000 0.454 166 F N 0.738 120.532 119.950 -0.259 0.000 2.115 166 F HA -0.252 4.275 4.527 0.000 0.000 0.300 166 F C 2.106 177.729 175.800 -0.296 0.000 1.092 166 F CA 1.813 59.609 58.000 -0.341 0.000 1.245 166 F CB -0.187 38.752 39.000 -0.101 0.000 0.995 166 F HN 0.053 nan 8.300 nan 0.000 0.481 167 I N -0.290 120.260 120.570 -0.034 0.000 2.202 167 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 167 I C 2.357 178.279 176.117 -0.325 0.000 1.091 167 I CA 1.496 62.623 61.300 -0.289 0.000 1.368 167 I CB -0.733 36.958 38.000 -0.515 0.000 1.058 167 I HN 0.192 nan 8.210 nan 0.000 0.410 168 Q N 0.270 119.901 119.800 -0.282 0.000 2.135 168 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 168 Q C 2.074 177.948 176.000 -0.209 0.000 0.981 168 Q CA 1.805 57.479 55.803 -0.214 0.000 0.856 168 Q CB -0.120 28.518 28.738 -0.166 0.000 0.902 168 Q HN 0.361 nan 8.270 nan 0.000 0.425 169 E N 0.834 120.823 120.200 -0.352 0.000 2.072 169 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 169 E C 1.735 178.158 176.600 -0.297 0.000 0.985 169 E CA 0.854 57.007 56.400 -0.411 0.000 0.801 169 E CB -0.199 28.962 29.700 -0.899 0.000 0.750 169 E HN 0.288 nan 8.360 nan 0.000 0.452 170 L N 0.266 121.318 121.223 -0.285 0.000 2.042 170 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 170 L C 2.482 179.381 176.870 0.049 0.000 1.076 170 L CA 1.308 56.106 54.840 -0.071 0.000 0.749 170 L CB -0.462 41.704 42.059 0.178 0.000 0.893 170 L HN 0.254 nan 8.230 nan 0.000 0.432 171 I N -0.088 120.529 120.570 0.078 0.000 2.264 171 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 171 I C 2.272 178.394 176.117 0.009 0.000 1.111 171 I CA 1.663 63.022 61.300 0.098 0.000 1.382 171 I CB -0.460 37.587 38.000 0.078 0.000 1.060 171 I HN 0.389 nan 8.210 nan 0.000 0.418 172 N N 1.160 119.836 118.700 -0.040 0.000 2.216 172 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 172 N C 1.542 177.015 175.510 -0.061 0.000 1.017 172 N CA 1.453 54.471 53.050 -0.053 0.000 0.861 172 N CB -0.031 38.419 38.487 -0.062 0.000 0.986 172 N HN 0.172 nan 8.380 nan 0.000 0.428 173 N N -0.143 118.517 118.700 -0.066 0.000 2.300 173 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 173 N C 1.231 176.715 175.510 -0.043 0.000 1.016 173 N CA 0.504 53.514 53.050 -0.067 0.000 0.876 173 N CB -0.148 38.291 38.487 -0.080 0.000 0.979 173 N HN 0.241 nan 8.380 nan 0.000 0.432 174 I N 1.029 121.602 120.570 0.006 0.000 2.439 174 I HA -0.065 4.105 4.170 -0.000 0.000 0.251 174 I C 1.997 178.104 176.117 -0.016 0.000 1.139 174 I CA 0.418 61.765 61.300 0.080 0.000 1.438 174 I CB -0.507 37.536 38.000 0.072 0.000 1.085 174 I HN 0.053 nan 8.210 nan 0.000 0.427 175 A N -0.444 122.320 122.820 -0.092 0.000 2.066 175 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 175 A C 2.258 179.740 177.584 -0.170 0.000 1.157 175 A CA 1.245 53.162 52.037 -0.201 0.000 0.670 175 A CB -0.202 18.673 19.000 -0.207 0.000 0.804 175 A HN 0.188 nan 8.150 nan 0.000 0.453 176 K N -0.749 119.578 120.400 -0.122 0.000 2.172 176 K HA 0.254 4.574 4.320 -0.000 0.000 0.203 176 K C 2.330 178.840 176.600 -0.149 0.000 1.040 176 K CA 1.077 57.294 56.287 -0.118 0.000 0.974 176 K CB -0.740 31.703 32.500 -0.095 0.000 0.857 176 K HN 0.327 nan 8.250 nan 0.000 0.464 177 A N 1.574 124.271 122.820 -0.205 0.000 1.898 177 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 177 A C 1.683 178.970 177.584 -0.494 0.000 1.181 177 A CA 1.405 53.212 52.037 -0.383 0.000 0.620 177 A CB -0.442 18.240 19.000 -0.531 0.000 0.819 177 A HN 0.321 nan 8.150 nan 0.000 0.442 178 H N -2.912 116.115 119.070 -0.071 0.000 3.017 178 H HA 0.276 4.832 4.556 -0.000 0.000 0.255 178 H C 1.557 176.829 175.328 -0.093 0.000 0.990 178 H CA 0.695 56.703 56.048 -0.067 0.000 1.205 178 H CB 0.433 30.161 29.762 -0.057 0.000 1.460 178 H HN 0.663 nan 8.280 nan 0.000 0.478 179 G N 1.149 109.921 108.800 -0.048 0.000 2.143 179 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.249 179 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.249 179 G C 0.697 175.443 174.900 -0.256 0.000 0.981 179 G CA 0.200 45.205 45.100 -0.159 0.000 0.665 179 G HN 0.700 nan 8.290 nan 0.000 0.528 180 G N -0.636 108.062 108.800 -0.169 0.000 2.420 180 G HA2 0.627 4.587 3.960 -0.000 0.000 0.284 180 G HA3 0.627 4.587 3.960 -0.000 0.000 0.284 180 G C -0.118 174.598 174.900 -0.308 0.000 1.177 180 G CA -0.688 44.307 45.100 -0.175 0.000 0.841 180 G HN 0.175 nan 8.290 nan 0.000 0.527 181 F N 0.064 119.899 119.950 -0.192 0.000 2.362 181 F HA 0.579 5.106 4.527 -0.000 0.000 0.311 181 F C 1.016 176.691 175.800 -0.207 0.000 1.161 181 F CA -0.075 57.759 58.000 -0.276 0.000 1.085 181 F CB 1.768 40.398 39.000 -0.617 0.000 1.311 181 F HN 0.304 nan 8.300 nan 0.000 0.524 182 S N -0.160 115.602 115.700 0.102 0.000 2.568 182 S HA 0.728 5.198 4.470 -0.000 0.000 0.293 182 S C -1.354 173.318 174.600 0.119 0.000 1.089 182 S CA -0.769 57.496 58.200 0.108 0.000 0.945 182 S CB 2.140 65.493 63.200 0.254 0.000 1.077 182 S HN 0.258 nan 8.310 nan 0.000 0.485 183 V N 2.836 122.829 119.914 0.131 0.000 2.398 183 V HA 0.372 4.492 4.120 -0.000 0.000 0.282 183 V C -1.077 175.136 176.094 0.198 0.000 1.014 183 V CA -0.558 61.822 62.300 0.132 0.000 0.838 183 V CB 0.612 32.481 31.823 0.077 0.000 1.018 183 V HN 0.858 nan 8.190 nan 0.000 0.432 184 F N 3.849 123.859 119.950 0.100 0.000 2.438 184 F HA 0.537 5.064 4.527 -0.000 0.000 0.356 184 F C 0.637 176.387 175.800 -0.083 0.000 1.099 184 F CA 0.442 58.491 58.000 0.082 0.000 1.185 184 F CB 1.032 40.032 39.000 -0.000 0.000 1.115 184 F HN 0.441 nan 8.300 nan 0.000 0.526 185 T N 5.170 119.382 114.554 -0.572 0.000 2.864 185 T HA 0.376 4.726 4.350 -0.000 0.000 0.310 185 T C 0.192 174.563 174.700 -0.549 0.000 1.040 185 T CA -0.592 61.242 62.100 -0.443 0.000 0.977 185 T CB 1.035 69.736 68.868 -0.277 0.000 0.976 185 T HN 0.841 nan 8.240 nan 0.000 0.459 186 G N 2.612 111.183 108.800 -0.382 0.000 2.639 186 G HA2 0.458 4.418 3.960 -0.000 0.000 0.312 186 G HA3 0.458 4.418 3.960 -0.000 0.000 0.312 186 G C -0.018 174.878 174.900 -0.007 0.000 0.911 186 G CA -0.345 44.683 45.100 -0.120 0.000 1.410 186 G HN 0.663 nan 8.290 nan 0.000 0.469 187 V N 2.470 122.361 119.914 -0.038 0.000 2.455 187 V HA 0.501 4.621 4.120 -0.000 0.000 0.273 187 V C 1.420 177.554 176.094 0.067 0.000 1.045 187 V CA 0.652 62.965 62.300 0.022 0.000 0.976 187 V CB 0.721 32.557 31.823 0.022 0.000 0.993 187 V HN 1.213 nan 8.190 nan 0.000 0.475 188 G N 3.824 112.670 108.800 0.078 0.000 2.305 188 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 188 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 188 G C 0.031 174.989 174.900 0.096 0.000 1.036 188 G CA 0.524 45.669 45.100 0.076 0.000 0.887 188 G HN 0.921 nan 8.290 nan 0.000 0.505 189 E N 0.220 120.502 120.200 0.136 0.000 2.316 189 E HA 0.451 4.801 4.350 -0.000 0.000 0.275 189 E C 1.111 177.786 176.600 0.126 0.000 1.029 189 E CA -0.628 55.882 56.400 0.183 0.000 0.871 189 E CB 0.343 30.253 29.700 0.350 0.000 1.022 189 E HN 0.485 nan 8.360 nan 0.000 0.418 190 R N 3.156 123.716 120.500 0.099 0.000 2.570 190 R HA 0.039 4.379 4.340 -0.000 0.000 0.277 190 R C 0.888 177.196 176.300 0.012 0.000 1.039 190 R CA 0.470 56.602 56.100 0.053 0.000 1.065 190 R CB 0.302 30.632 30.300 0.051 0.000 0.964 190 R HN 0.645 nan 8.270 nan 0.000 0.428 191 T N 1.921 116.463 114.554 -0.020 0.000 2.915 191 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 191 T C 1.698 176.346 174.700 -0.086 0.000 1.071 191 T CA 1.079 63.130 62.100 -0.081 0.000 1.132 191 T CB -0.108 68.724 68.868 -0.061 0.000 0.878 191 T HN 0.502 nan 8.240 nan 0.000 0.479 192 R N 1.154 121.633 120.500 -0.036 0.000 2.062 192 R HA -0.025 4.314 4.340 -0.000 0.000 0.229 192 R C 2.129 178.420 176.300 -0.015 0.000 1.128 192 R CA 1.282 57.369 56.100 -0.021 0.000 0.960 192 R CB -0.034 30.266 30.300 0.000 0.000 0.855 192 R HN 0.434 nan 8.270 nan 0.000 0.432 193 E N -0.809 119.396 120.200 0.008 0.000 2.268 193 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 193 E C 1.765 178.384 176.600 0.032 0.000 0.995 193 E CA 0.814 57.238 56.400 0.040 0.000 0.836 193 E CB -0.041 29.708 29.700 0.082 0.000 0.763 193 E HN 0.557 nan 8.360 nan 0.000 0.491 194 G N 1.631 110.386 108.800 -0.075 0.000 2.418 194 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 194 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 194 G C 1.390 176.139 174.900 -0.252 0.000 1.158 194 G CA 0.739 45.624 45.100 -0.358 0.000 0.771 194 G HN 0.234 nan 8.290 nan 0.000 0.545 195 N N 0.451 119.068 118.700 -0.138 0.000 2.106 195 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 195 N C 1.762 177.305 175.510 0.054 0.000 1.029 195 N CA 1.417 54.461 53.050 -0.010 0.000 0.848 195 N CB -0.174 38.304 38.487 -0.014 0.000 1.007 195 N HN 0.131 nan 8.380 nan 0.000 0.423 196 D N 0.478 120.896 120.400 0.029 0.000 2.219 196 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 196 D C 1.979 178.306 176.300 0.045 0.000 0.970 196 D CA 0.306 54.327 54.000 0.035 0.000 0.851 196 D CB -0.013 40.804 40.800 0.027 0.000 0.943 196 D HN 0.282 nan 8.370 nan 0.000 0.488 197 L N -0.610 120.655 121.223 0.071 0.000 2.068 197 L HA -0.056 4.284 4.340 -0.000 0.000 0.204 197 L C 2.059 179.001 176.870 0.119 0.000 1.076 197 L CA 1.255 56.132 54.840 0.061 0.000 0.753 197 L CB -0.775 41.332 42.059 0.079 0.000 0.910 197 L HN 0.025 nan 8.230 nan 0.000 0.439 198 Y N 0.791 121.122 120.300 0.051 0.000 2.089 198 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 198 Y C 2.927 178.845 175.900 0.029 0.000 1.139 198 Y CA 2.268 60.407 58.100 0.065 0.000 1.123 198 Y CB -0.577 37.927 38.460 0.073 0.000 0.980 198 Y HN 0.198 nan 8.280 nan 0.000 0.493 199 R N 0.456 120.901 120.500 -0.091 0.000 2.117 199 R HA -0.246 4.094 4.340 -0.000 0.000 0.243 199 R C 2.338 178.577 176.300 -0.101 0.000 1.143 199 R CA 2.053 58.049 56.100 -0.174 0.000 0.968 199 R CB -0.439 29.824 30.300 -0.061 0.000 0.863 199 R HN 0.608 nan 8.270 nan 0.000 0.444 200 E N -0.094 120.093 120.200 -0.022 0.000 2.106 200 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 200 E C 2.029 178.635 176.600 0.010 0.000 0.984 200 E CA 1.141 57.558 56.400 0.029 0.000 0.806 200 E CB 0.024 29.744 29.700 0.034 0.000 0.750 200 E HN 0.390 nan 8.360 nan 0.000 0.458 201 M N 0.264 119.846 119.600 -0.030 0.000 2.099 201 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 201 M C 2.204 178.475 176.300 -0.049 0.000 1.067 201 M CA 1.403 56.684 55.300 -0.031 0.000 1.124 201 M CB -0.077 32.520 32.600 -0.005 0.000 1.353 201 M HN -0.023 nan 8.290 nan 0.000 0.410 202 K N -0.000 120.327 120.400 -0.121 0.000 2.103 202 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 202 K C 1.817 178.369 176.600 -0.081 0.000 1.048 202 K CA 1.374 57.586 56.287 -0.126 0.000 0.930 202 K CB -0.214 32.148 32.500 -0.229 0.000 0.716 202 K HN 0.405 nan 8.250 nan 0.000 0.444 203 E N -0.013 120.145 120.200 -0.070 0.000 2.208 203 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 203 E C 1.817 178.392 176.600 -0.041 0.000 0.988 203 E CA 0.990 57.352 56.400 -0.063 0.000 0.828 203 E CB 0.222 29.892 29.700 -0.050 0.000 0.763 203 E HN 0.143 nan 8.360 nan 0.000 0.478 204 T N -2.167 112.396 114.554 0.014 0.000 3.054 204 T HA 0.119 4.469 4.350 -0.000 0.000 0.259 204 T C 1.175 175.882 174.700 0.012 0.000 1.092 204 T CA 1.275 63.405 62.100 0.050 0.000 1.121 204 T CB 0.155 69.082 68.868 0.098 0.000 0.912 204 T HN 0.396 nan 8.240 nan 0.000 0.489 205 G N 0.085 108.882 108.800 -0.006 0.000 2.201 205 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.212 205 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.212 205 G C 1.117 176.019 174.900 0.003 0.000 0.994 205 G CA 0.550 45.646 45.100 -0.006 0.000 0.644 205 G HN 1.031 nan 8.290 nan 0.000 0.508 206 V N -1.440 118.476 119.914 0.003 0.000 2.667 206 V HA 0.382 4.502 4.120 -0.000 0.000 0.252 206 V C 1.138 177.253 176.094 0.035 0.000 1.065 206 V CA 0.891 63.199 62.300 0.015 0.000 1.083 206 V CB -0.179 31.643 31.823 -0.001 0.000 0.692 206 V HN 0.310 nan 8.190 nan 0.000 0.468 207 I N 2.931 123.516 120.570 0.024 0.000 2.359 207 I HA 0.461 4.631 4.170 -0.000 0.000 0.284 207 I C -0.593 175.535 176.117 0.018 0.000 1.018 207 I CA -0.026 61.297 61.300 0.038 0.000 1.173 207 I CB 0.673 38.700 38.000 0.044 0.000 1.326 207 I HN 0.241 nan 8.210 nan 0.000 0.462 208 N N 7.151 125.870 118.700 0.032 0.000 2.707 208 N HA 0.321 5.061 4.740 -0.000 0.000 0.235 208 N C 1.012 176.540 175.510 0.029 0.000 1.028 208 N CA -0.310 52.752 53.050 0.021 0.000 0.906 208 N CB 0.900 39.401 38.487 0.024 0.000 1.131 208 N HN 0.475 nan 8.380 nan 0.000 0.509 209 L N 1.470 122.706 121.223 0.021 0.000 1.991 209 L HA -0.261 4.079 4.340 -0.000 0.000 0.221 209 L C 1.781 178.668 176.870 0.029 0.000 1.079 209 L CA 1.750 56.610 54.840 0.033 0.000 0.778 209 L CB -0.136 41.935 42.059 0.021 0.000 0.893 209 L HN 0.566 nan 8.230 nan 0.000 0.437 210 E N -0.545 119.666 120.200 0.019 0.000 2.076 210 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 210 E C 1.534 178.147 176.600 0.021 0.000 0.979 210 E CA 0.510 56.921 56.400 0.018 0.000 0.807 210 E CB -0.111 29.596 29.700 0.011 0.000 0.761 210 E HN 0.522 nan 8.360 nan 0.000 0.454 211 G N 1.069 109.882 108.800 0.021 0.000 2.608 211 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.212 211 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.212 211 G C -0.373 174.550 174.900 0.039 0.000 1.572 211 G CA -0.419 44.697 45.100 0.026 0.000 1.064 211 G HN 0.087 nan 8.290 nan 0.000 0.556 212 E N -0.496 119.734 120.200 0.050 0.000 2.145 212 E HA 0.464 4.813 4.350 -0.000 0.000 0.270 212 E C -0.371 176.282 176.600 0.088 0.000 0.906 212 E CA -0.460 55.984 56.400 0.074 0.000 0.761 212 E CB 1.041 30.798 29.700 0.094 0.000 1.116 212 E HN 0.283 nan 8.360 nan 0.000 0.408 213 S N 3.230 118.985 115.700 0.091 0.000 2.645 213 S HA 0.241 4.711 4.470 -0.000 0.000 0.266 213 S C 0.616 175.323 174.600 0.178 0.000 1.258 213 S CA -0.526 57.735 58.200 0.102 0.000 0.990 213 S CB 1.095 64.343 63.200 0.081 0.000 0.967 213 S HN 0.541 nan 8.310 nan 0.000 0.556 214 K N -0.235 120.271 120.400 0.176 0.000 2.440 214 K HA 0.375 4.695 4.320 -0.000 0.000 0.207 214 K C -0.722 176.038 176.600 0.267 0.000 1.112 214 K CA 0.127 56.582 56.287 0.280 0.000 1.036 214 K CB 1.243 33.822 32.500 0.133 0.000 0.935 214 K HN 0.297 nan 8.250 nan 0.000 0.564 215 V N 0.349 120.354 119.914 0.151 0.000 3.012 215 V HA 0.694 4.814 4.120 -0.000 0.000 0.307 215 V C -1.844 174.300 176.094 0.084 0.000 1.166 215 V CA -0.802 61.572 62.300 0.124 0.000 0.974 215 V CB 1.958 33.864 31.823 0.138 0.000 1.040 215 V HN 0.112 nan 8.190 nan 0.000 0.428 216 A N 6.133 128.998 122.820 0.075 0.000 2.312 216 A HA 0.898 5.218 4.320 -0.000 0.000 0.328 216 A C -1.032 176.585 177.584 0.055 0.000 1.158 216 A CA -0.638 51.433 52.037 0.057 0.000 0.821 216 A CB 0.982 20.014 19.000 0.053 0.000 1.170 216 A HN 0.905 nan 8.150 nan 0.000 0.490 217 L N 2.449 123.673 121.223 0.001 0.000 2.325 217 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 217 L C -1.058 175.681 176.870 -0.218 0.000 1.004 217 L CA -0.761 54.007 54.840 -0.121 0.000 0.823 217 L CB 1.768 43.765 42.059 -0.104 0.000 1.236 217 L HN 0.413 nan 8.230 nan 0.000 0.415 218 V N 3.502 123.221 119.914 -0.325 0.000 2.444 218 V HA 0.404 4.524 4.120 -0.000 0.000 0.294 218 V C -0.739 175.137 176.094 -0.363 0.000 1.022 218 V CA -0.367 61.787 62.300 -0.243 0.000 0.850 218 V CB 1.601 33.339 31.823 -0.141 0.000 0.992 218 V HN 0.386 nan 8.190 nan 0.000 0.426 219 F N 2.748 122.712 119.950 0.022 0.000 2.325 219 F HA 0.554 5.081 4.527 -0.000 0.000 0.369 219 F C 1.110 176.918 175.800 0.012 0.000 1.095 219 F CA -0.726 57.292 58.000 0.029 0.000 1.082 219 F CB 1.659 40.673 39.000 0.025 0.000 1.289 219 F HN 0.562 nan 8.300 nan 0.000 0.462 220 G N 3.804 112.697 108.800 0.156 0.000 3.213 220 G HA2 0.174 4.134 3.960 -0.000 0.000 0.263 220 G HA3 0.174 4.134 3.960 -0.000 0.000 0.263 220 G C 0.138 175.110 174.900 0.119 0.000 0.829 220 G CA -0.393 44.769 45.100 0.104 0.000 1.983 220 G HN 0.559 nan 8.290 nan 0.000 0.616 221 Q N 0.369 120.245 119.800 0.127 0.000 2.450 221 Q HA 0.034 4.374 4.340 -0.000 0.000 0.294 221 Q C 1.662 177.699 176.000 0.062 0.000 1.129 221 Q CA 0.413 56.270 55.803 0.090 0.000 0.970 221 Q CB 0.697 29.465 28.738 0.050 0.000 1.294 221 Q HN 0.475 nan 8.270 nan 0.000 0.453 222 M N 1.451 121.081 119.600 0.050 0.000 2.123 222 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 222 M C 1.283 177.598 176.300 0.025 0.000 1.069 222 M CA 0.976 56.298 55.300 0.038 0.000 1.133 222 M CB -0.522 32.099 32.600 0.035 0.000 1.356 222 M HN 0.664 nan 8.290 nan 0.000 0.415 223 N N 1.719 120.431 118.700 0.020 0.000 2.617 223 N HA -0.062 4.678 4.740 -0.000 0.000 0.198 223 N C -0.597 174.921 175.510 0.013 0.000 1.317 223 N CA 0.464 53.522 53.050 0.013 0.000 0.892 223 N CB -0.632 37.860 38.487 0.008 0.000 1.041 223 N HN 0.478 nan 8.380 nan 0.000 0.450 224 E N 1.365 121.576 120.200 0.018 0.000 2.204 224 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 224 E C -2.272 174.337 176.600 0.014 0.000 0.974 224 E CA -2.285 54.126 56.400 0.018 0.000 0.815 224 E CB 1.030 30.745 29.700 0.026 0.000 1.119 224 E HN 0.195 nan 8.360 nan 0.000 0.393 225 P HA -0.071 nan 4.420 nan 0.000 0.269 225 P C -2.170 175.133 177.300 0.006 0.000 1.211 225 P CA -0.919 62.184 63.100 0.006 0.000 0.781 225 P CB 0.009 31.713 31.700 0.006 0.000 0.877 226 P HA -0.189 nan 4.420 nan 0.000 0.217 226 P C 1.690 178.989 177.300 -0.001 0.000 1.148 226 P CA 2.199 65.293 63.100 -0.010 0.000 0.834 226 P CB -0.519 31.169 31.700 -0.021 0.000 0.783 227 G N 0.055 108.859 108.800 0.007 0.000 2.446 227 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 227 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 227 G C 1.642 176.561 174.900 0.031 0.000 1.168 227 G CA 1.098 46.210 45.100 0.019 0.000 0.771 227 G HN 0.352 nan 8.290 nan 0.000 0.551 228 A N 1.030 123.868 122.820 0.029 0.000 1.845 228 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 228 A C 2.445 180.056 177.584 0.045 0.000 1.195 228 A CA 1.834 53.892 52.037 0.034 0.000 0.616 228 A CB -0.487 18.531 19.000 0.031 0.000 0.832 228 A HN 0.325 nan 8.150 nan 0.000 0.443 229 R N -0.237 120.290 120.500 0.044 0.000 2.170 229 R HA -0.092 4.248 4.340 -0.000 0.000 0.242 229 R C 2.150 178.514 176.300 0.106 0.000 1.145 229 R CA 1.277 57.413 56.100 0.060 0.000 0.984 229 R CB -0.462 29.862 30.300 0.041 0.000 0.869 229 R HN 0.527 nan 8.270 nan 0.000 0.455 230 A N 0.346 123.218 122.820 0.087 0.000 2.067 230 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 230 A C 1.608 179.336 177.584 0.241 0.000 1.156 230 A CA 0.793 52.910 52.037 0.134 0.000 0.683 230 A CB 0.119 19.122 19.000 0.006 0.000 0.808 230 A HN 0.047 nan 8.150 nan 0.000 0.455 231 R N -0.489 120.087 120.500 0.127 0.000 2.307 231 R HA 0.066 4.406 4.340 -0.000 0.000 0.200 231 R C 1.843 178.144 176.300 0.000 0.000 0.893 231 R CA 1.168 57.307 56.100 0.065 0.000 1.042 231 R CB -0.915 29.409 30.300 0.039 0.000 1.059 231 R HN 0.533 nan 8.270 nan 0.000 0.530 232 V N -1.288 118.637 119.914 0.019 0.000 2.626 232 V HA 0.014 4.134 4.120 -0.000 0.000 0.252 232 V C 2.206 178.252 176.094 -0.081 0.000 1.067 232 V CA 1.660 63.946 62.300 -0.023 0.000 1.081 232 V CB -0.955 30.869 31.823 0.003 0.000 0.686 232 V HN 0.094 nan 8.190 nan 0.000 0.468 233 A N 0.501 123.258 122.820 -0.105 0.000 2.067 233 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 233 A C 2.176 179.605 177.584 -0.259 0.000 1.158 233 A CA 1.881 53.762 52.037 -0.260 0.000 0.661 233 A CB -0.508 18.154 19.000 -0.564 0.000 0.801 233 A HN 0.604 nan 8.150 nan 0.000 0.452 234 L N -1.514 119.592 121.223 -0.195 0.000 2.249 234 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 234 L C 2.610 179.388 176.870 -0.155 0.000 1.090 234 L CA 1.222 55.948 54.840 -0.190 0.000 0.802 234 L CB -0.728 41.195 42.059 -0.227 0.000 0.947 234 L HN 0.241 nan 8.230 nan 0.000 0.453 235 T N -0.009 114.469 114.554 -0.128 0.000 2.699 235 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 235 T C 1.778 176.428 174.700 -0.084 0.000 1.036 235 T CA 1.675 63.717 62.100 -0.097 0.000 1.147 235 T CB -0.465 68.361 68.868 -0.071 0.000 0.862 235 T HN 0.567 nan 8.240 nan 0.000 0.446 236 G N 0.653 109.396 108.800 -0.094 0.000 2.453 236 G HA2 0.012 3.972 3.960 -0.000 0.000 0.215 236 G HA3 0.012 3.972 3.960 -0.000 0.000 0.215 236 G C 1.457 176.321 174.900 -0.061 0.000 1.147 236 G CA 0.170 45.226 45.100 -0.074 0.000 0.802 236 G HN 0.401 nan 8.290 nan 0.000 0.535 237 L N 1.506 122.671 121.223 -0.097 0.000 2.079 237 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 237 L C 2.656 179.500 176.870 -0.044 0.000 1.081 237 L CA 2.375 57.163 54.840 -0.087 0.000 0.752 237 L CB -0.897 41.084 42.059 -0.129 0.000 0.896 237 L HN 0.153 nan 8.230 nan 0.000 0.433 238 T N -0.078 114.447 114.554 -0.049 0.000 2.904 238 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 238 T C 1.949 176.650 174.700 0.002 0.000 1.059 238 T CA 1.188 63.272 62.100 -0.027 0.000 1.137 238 T CB -0.158 68.682 68.868 -0.046 0.000 0.879 238 T HN 0.193 nan 8.240 nan 0.000 0.467 239 I N 1.949 122.524 120.570 0.008 0.000 2.226 239 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 239 I C 2.857 179.094 176.117 0.200 0.000 1.100 239 I CA 1.055 62.386 61.300 0.052 0.000 1.374 239 I CB -1.641 36.409 38.000 0.084 0.000 1.057 239 I HN 0.197 nan 8.210 nan 0.000 0.413 240 A N 0.251 123.192 122.820 0.201 0.000 2.014 240 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 240 A C 2.240 179.958 177.584 0.223 0.000 1.163 240 A CA 0.926 53.134 52.037 0.285 0.000 0.652 240 A CB -0.474 18.595 19.000 0.114 0.000 0.808 240 A HN 0.435 nan 8.150 nan 0.000 0.449 241 E N -1.374 118.891 120.200 0.108 0.000 2.058 241 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 241 E C 1.773 178.404 176.600 0.052 0.000 0.997 241 E CA 1.510 57.945 56.400 0.059 0.000 0.801 241 E CB -0.324 29.390 29.700 0.023 0.000 0.746 241 E HN 0.771 nan 8.360 nan 0.000 0.450 242 Y N 0.665 120.897 120.300 -0.114 0.000 2.053 242 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 242 Y C 2.011 177.800 175.900 -0.184 0.000 1.159 242 Y CA 2.025 59.988 58.100 -0.229 0.000 1.125 242 Y CB -0.498 37.696 38.460 -0.442 0.000 0.969 242 Y HN -0.026 nan 8.280 nan 0.000 0.492 243 F N 0.035 120.104 119.950 0.198 0.000 2.154 243 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 243 F C 2.720 178.538 175.800 0.030 0.000 1.087 243 F CA 2.030 60.110 58.000 0.134 0.000 1.274 243 F CB -0.761 38.347 39.000 0.180 0.000 1.009 243 F HN 0.026 nan 8.300 nan 0.000 0.485 244 R N 0.440 121.044 120.500 0.174 0.000 2.062 244 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 244 R C 1.480 177.774 176.300 -0.010 0.000 1.128 244 R CA 1.870 58.013 56.100 0.072 0.000 0.960 244 R CB -0.267 30.063 30.300 0.050 0.000 0.855 244 R HN 0.132 nan 8.270 nan 0.000 0.432 245 D N -0.453 119.905 120.400 -0.069 0.000 2.305 245 D HA -0.068 4.572 4.640 -0.000 0.000 0.206 245 D C 1.378 177.565 176.300 -0.188 0.000 0.974 245 D CA 0.817 54.749 54.000 -0.113 0.000 0.871 245 D CB 0.350 41.083 40.800 -0.112 0.000 0.947 245 D HN 0.303 nan 8.370 nan 0.000 0.516 246 E N 0.664 120.683 120.200 -0.302 0.000 2.175 246 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 246 E C 0.931 177.417 176.600 -0.190 0.000 0.934 246 E CA 0.515 56.669 56.400 -0.410 0.000 0.870 246 E CB 0.402 29.464 29.700 -1.064 0.000 0.838 246 E HN 0.066 nan 8.360 nan 0.000 0.474 247 E N -0.421 119.733 120.200 -0.076 0.000 2.501 247 E HA 0.214 4.564 4.350 -0.000 0.000 0.200 247 E C 0.111 176.754 176.600 0.071 0.000 1.016 247 E CA 0.218 56.653 56.400 0.058 0.000 0.921 247 E CB 0.912 30.739 29.700 0.212 0.000 1.034 247 E HN 0.328 nan 8.360 nan 0.000 0.468 248 G N 2.657 111.473 108.800 0.028 0.000 2.421 248 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.300 248 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.300 248 G C -0.027 174.903 174.900 0.050 0.000 0.974 248 G CA 0.650 45.765 45.100 0.025 0.000 1.062 248 G HN 0.265 nan 8.290 nan 0.000 0.514 249 Q N -0.647 119.206 119.800 0.088 0.000 2.205 249 Q HA 0.373 4.713 4.340 -0.000 0.000 0.249 249 Q C -0.661 175.363 176.000 0.040 0.000 0.948 249 Q CA -0.831 55.024 55.803 0.087 0.000 0.895 249 Q CB 1.031 29.869 28.738 0.168 0.000 1.249 249 Q HN 0.215 nan 8.270 nan 0.000 0.458 250 D N 1.818 122.216 120.400 -0.003 0.000 2.524 250 D HA 0.168 4.808 4.640 -0.000 0.000 0.222 250 D C -0.363 175.907 176.300 -0.050 0.000 1.142 250 D CA -0.017 53.949 54.000 -0.056 0.000 0.973 250 D CB 0.308 41.019 40.800 -0.148 0.000 1.025 250 D HN 0.137 nan 8.370 nan 0.000 0.519 251 V N 0.969 120.875 119.914 -0.013 0.000 3.319 251 V HA 0.271 4.391 4.120 -0.000 0.000 0.303 251 V C 0.747 176.797 176.094 -0.074 0.000 1.094 251 V CA -0.561 61.730 62.300 -0.015 0.000 1.106 251 V CB 0.959 32.816 31.823 0.056 0.000 1.099 251 V HN 0.281 nan 8.190 nan 0.000 0.476 252 L N 2.485 123.648 121.223 -0.101 0.000 2.385 252 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 252 L C -1.117 175.577 176.870 -0.294 0.000 0.990 252 L CA -0.529 54.164 54.840 -0.246 0.000 0.821 252 L CB 1.833 43.730 42.059 -0.271 0.000 1.279 252 L HN 0.465 nan 8.230 nan 0.000 0.412 253 L N 3.918 124.905 121.223 -0.393 0.000 2.345 253 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 253 L C -1.197 175.439 176.870 -0.390 0.000 0.999 253 L CA 0.078 54.743 54.840 -0.290 0.000 0.849 253 L CB 0.795 42.744 42.059 -0.183 0.000 1.220 253 L HN 0.186 nan 8.230 nan 0.000 0.422 254 F N 5.964 125.858 119.950 -0.093 0.000 2.420 254 F HA 0.503 5.030 4.527 -0.000 0.000 0.352 254 F C 0.239 175.816 175.800 -0.372 0.000 1.108 254 F CA -0.444 57.458 58.000 -0.163 0.000 1.162 254 F CB 0.827 39.820 39.000 -0.011 0.000 1.118 254 F HN 0.182 nan 8.300 nan 0.000 0.510 255 I N 2.967 123.453 120.570 -0.139 0.000 2.406 255 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 255 I C -0.948 175.070 176.117 -0.165 0.000 0.999 255 I CA -0.669 60.501 61.300 -0.218 0.000 1.124 255 I CB 1.554 39.437 38.000 -0.195 0.000 1.289 255 I HN 0.473 nan 8.210 nan 0.000 0.441 256 D N 4.999 125.282 120.400 -0.193 0.000 2.470 256 D HA 0.216 4.856 4.640 -0.000 0.000 0.233 256 D C -1.135 175.162 176.300 -0.006 0.000 1.372 256 D CA -0.204 53.755 54.000 -0.068 0.000 0.994 256 D CB 1.166 41.942 40.800 -0.040 0.000 1.377 256 D HN 0.434 nan 8.370 nan 0.000 0.586 257 N N 3.630 122.364 118.700 0.056 0.000 2.361 257 N HA 0.225 4.965 4.740 -0.000 0.000 0.302 257 N C 0.891 176.472 175.510 0.118 0.000 1.074 257 N CA -0.566 52.537 53.050 0.089 0.000 0.850 257 N CB 1.746 40.322 38.487 0.149 0.000 1.228 257 N HN 0.419 nan 8.380 nan 0.000 0.491 258 I N 3.156 123.794 120.570 0.113 0.000 2.264 258 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 258 I C 1.721 177.996 176.117 0.264 0.000 1.111 258 I CA 1.307 62.695 61.300 0.147 0.000 1.382 258 I CB -0.428 37.624 38.000 0.086 0.000 1.060 258 I HN 0.641 nan 8.210 nan 0.000 0.418 259 F N 1.297 121.334 119.950 0.145 0.000 2.234 259 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 259 F C 2.393 178.251 175.800 0.096 0.000 1.087 259 F CA 1.427 59.516 58.000 0.149 0.000 1.340 259 F CB -0.313 38.810 39.000 0.204 0.000 1.031 259 F HN -0.066 nan 8.300 nan 0.000 0.500 260 R N -0.926 119.636 120.500 0.103 0.000 2.276 260 R HA -0.095 4.245 4.340 -0.000 0.000 0.203 260 R C 1.921 178.212 176.300 -0.014 0.000 1.017 260 R CA 0.959 57.050 56.100 -0.014 0.000 1.010 260 R CB -0.509 29.836 30.300 0.075 0.000 0.900 260 R HN 0.444 nan 8.270 nan 0.000 0.469 261 F N 0.787 120.679 119.950 -0.095 0.000 2.219 261 F HA -0.027 4.500 4.527 -0.000 0.000 0.294 261 F C 1.865 177.593 175.800 -0.121 0.000 1.086 261 F CA 1.165 59.112 58.000 -0.089 0.000 1.330 261 F CB -0.260 38.698 39.000 -0.069 0.000 1.047 261 F HN -0.224 nan 8.300 nan 0.000 0.495 262 T N 0.440 114.759 114.554 -0.391 0.000 2.701 262 T HA -0.237 4.113 4.350 -0.000 0.000 0.263 262 T C 1.920 176.365 174.700 -0.424 0.000 1.040 262 T CA 1.682 63.492 62.100 -0.482 0.000 1.147 262 T CB -0.511 68.183 68.868 -0.290 0.000 0.865 262 T HN 0.403 nan 8.240 nan 0.000 0.426 263 Q N 0.698 120.185 119.800 -0.522 0.000 2.096 263 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 263 Q C 2.509 178.360 176.000 -0.248 0.000 0.982 263 Q CA 1.562 57.123 55.803 -0.402 0.000 0.850 263 Q CB -0.318 28.106 28.738 -0.525 0.000 0.901 263 Q HN 0.547 nan 8.270 nan 0.000 0.422 264 A N 0.353 123.029 122.820 -0.240 0.000 1.933 264 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 264 A C 2.237 179.707 177.584 -0.190 0.000 1.175 264 A CA 1.587 53.525 52.037 -0.166 0.000 0.628 264 A CB -1.201 17.732 19.000 -0.112 0.000 0.814 264 A HN 0.596 nan 8.150 nan 0.000 0.444 265 G N -1.262 107.351 108.800 -0.311 0.000 2.498 265 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 265 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 265 G C 1.730 176.534 174.900 -0.161 0.000 1.119 265 G CA 1.388 46.316 45.100 -0.286 0.000 0.766 265 G HN 0.569 nan 8.290 nan 0.000 0.552 266 S N -0.434 115.184 115.700 -0.136 0.000 2.470 266 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 266 S C 2.099 176.652 174.600 -0.077 0.000 1.024 266 S CA 0.824 58.979 58.200 -0.075 0.000 0.931 266 S CB -0.064 63.105 63.200 -0.052 0.000 0.791 266 S HN 0.548 nan 8.310 nan 0.000 0.513 267 E N 0.467 120.614 120.200 -0.088 0.000 2.076 267 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 267 E C 2.077 178.647 176.600 -0.050 0.000 0.979 267 E CA 1.170 57.530 56.400 -0.066 0.000 0.807 267 E CB -0.156 29.506 29.700 -0.064 0.000 0.761 267 E HN 0.324 nan 8.360 nan 0.000 0.454 268 V N 1.181 121.063 119.914 -0.054 0.000 2.295 268 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 268 V C 2.500 178.576 176.094 -0.031 0.000 1.049 268 V CA 1.944 64.222 62.300 -0.037 0.000 1.024 268 V CB -0.496 31.306 31.823 -0.035 0.000 0.648 268 V HN 0.257 nan 8.190 nan 0.000 0.447 269 S N -0.131 115.546 115.700 -0.039 0.000 2.374 269 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 269 S C 2.128 176.714 174.600 -0.023 0.000 1.037 269 S CA 1.846 60.029 58.200 -0.028 0.000 1.024 269 S CB -0.400 62.782 63.200 -0.029 0.000 0.861 269 S HN 0.630 nan 8.310 nan 0.000 0.456 270 A N 1.020 123.823 122.820 -0.028 0.000 1.933 270 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 270 A C 2.226 179.798 177.584 -0.020 0.000 1.175 270 A CA 1.422 53.443 52.037 -0.025 0.000 0.628 270 A CB -0.705 18.275 19.000 -0.033 0.000 0.814 270 A HN 0.580 nan 8.150 nan 0.000 0.444 271 L N -0.770 120.441 121.223 -0.020 0.000 2.056 271 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 271 L C 2.539 179.403 176.870 -0.010 0.000 1.078 271 L CA 0.903 55.734 54.840 -0.014 0.000 0.749 271 L CB -0.464 41.587 42.059 -0.014 0.000 0.901 271 L HN 0.369 nan 8.230 nan 0.000 0.433 272 L N -0.374 120.843 121.223 -0.010 0.000 2.079 272 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 272 L C 1.416 178.284 176.870 -0.004 0.000 1.081 272 L CA 1.350 56.187 54.840 -0.006 0.000 0.752 272 L CB -0.599 41.457 42.059 -0.006 0.000 0.896 272 L HN 0.588 nan 8.230 nan 0.000 0.433 273 G N -0.468 108.328 108.800 -0.006 0.000 2.147 273 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.128 273 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.128 273 G C -0.009 174.889 174.900 -0.003 0.000 1.026 273 G CA -0.643 44.454 45.100 -0.004 0.000 0.693 273 G HN 0.218 nan 8.290 nan 0.000 0.499 274 R N -0.512 119.986 120.500 -0.004 0.000 2.500 274 R HA 0.599 4.939 4.340 -0.000 0.000 0.275 274 R C 0.149 176.447 176.300 -0.002 0.000 1.051 274 R CA -0.744 55.354 56.100 -0.002 0.000 1.088 274 R CB 0.882 31.181 30.300 -0.002 0.000 1.063 274 R HN 0.132 nan 8.270 nan 0.000 0.511 275 I N 4.411 124.982 120.570 0.001 0.000 2.452 275 I HA 0.064 4.234 4.170 -0.000 0.000 0.287 275 I C -1.709 174.411 176.117 0.005 0.000 1.079 275 I CA -1.923 59.378 61.300 0.002 0.000 1.387 275 I CB 0.262 38.265 38.000 0.004 0.000 1.404 275 I HN 0.347 nan 8.210 nan 0.000 0.522 276 P HA 0.014 nan 4.420 nan 0.000 0.263 276 P C 0.146 177.457 177.300 0.018 0.000 1.195 276 P CA 0.139 63.242 63.100 0.004 0.000 0.762 276 P CB 1.076 32.770 31.700 -0.011 0.000 0.799 277 S N 2.829 118.551 115.700 0.038 0.000 2.118 277 S HA 0.392 4.862 4.470 -0.000 0.000 0.175 277 S C 0.490 175.126 174.600 0.059 0.000 1.365 277 S CA 0.150 58.378 58.200 0.048 0.000 1.837 277 S CB -0.305 62.931 63.200 0.060 0.000 0.537 277 S HN 0.604 nan 8.310 nan 0.000 0.374 278 A N 0.068 122.940 122.820 0.088 0.000 2.354 278 A HA 0.536 4.856 4.320 -0.000 0.000 0.269 278 A C 0.728 178.402 177.584 0.151 0.000 1.109 278 A CA 0.010 52.107 52.037 0.099 0.000 0.800 278 A CB 0.042 19.100 19.000 0.096 0.000 1.045 278 A HN 1.436 nan 8.150 nan 0.000 0.489 279 V N 1.350 121.322 119.914 0.097 0.000 3.883 279 V HA -0.325 3.795 4.120 -0.000 0.000 0.217 279 V C 1.735 177.771 176.094 -0.096 0.000 0.472 279 V CA 1.708 64.046 62.300 0.063 0.000 0.955 279 V CB -2.485 29.457 31.823 0.199 0.000 1.038 279 V HN 2.841 nan 8.190 nan 0.000 1.215 280 G N -2.701 106.060 108.800 -0.065 0.000 2.184 280 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 280 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 280 G C -0.089 174.710 174.900 -0.168 0.000 0.975 280 G CA 0.463 45.482 45.100 -0.135 0.000 0.642 280 G HN 0.872 nan 8.290 nan 0.000 0.536 281 Y N 1.798 122.096 120.300 -0.003 0.000 2.357 281 Y HA 0.403 4.953 4.550 -0.000 0.000 0.340 281 Y C 1.353 177.234 175.900 -0.032 0.000 1.260 281 Y CA -0.059 58.026 58.100 -0.025 0.000 1.425 281 Y CB 0.455 38.907 38.460 -0.013 0.000 1.326 281 Y HN 0.415 nan 8.280 nan 0.000 0.580 282 Q N 4.256 124.133 119.800 0.127 0.000 2.395 282 Q HA 0.020 4.360 4.340 -0.000 0.000 0.271 282 Q C -2.188 173.841 176.000 0.048 0.000 1.026 282 Q CA -1.388 54.442 55.803 0.045 0.000 0.900 282 Q CB 0.778 29.515 28.738 -0.000 0.000 1.266 282 Q HN 0.407 nan 8.270 nan 0.000 0.430 283 P HA -0.119 nan 4.420 nan 0.000 0.218 283 P C 0.614 177.925 177.300 0.018 0.000 1.148 283 P CA 1.564 64.680 63.100 0.025 0.000 0.822 283 P CB -0.119 31.591 31.700 0.016 0.000 0.784 284 T N -2.856 111.703 114.554 0.008 0.000 3.285 284 T HA 0.277 4.627 4.350 -0.000 0.000 0.232 284 T C 1.023 175.718 174.700 -0.008 0.000 0.973 284 T CA -0.467 61.635 62.100 0.003 0.000 1.023 284 T CB -0.674 68.194 68.868 -0.001 0.000 1.158 284 T HN -0.173 nan 8.240 nan 0.000 0.590 285 L N 0.945 122.164 121.223 -0.006 0.000 2.209 285 L HA 0.410 4.750 4.340 -0.000 0.000 0.207 285 L C 2.499 179.359 176.870 -0.016 0.000 1.094 285 L CA 1.407 56.227 54.840 -0.032 0.000 0.790 285 L CB -0.559 41.472 42.059 -0.046 0.000 0.932 285 L HN 0.515 nan 8.230 nan 0.000 0.447 286 A N -1.239 121.589 122.820 0.013 0.000 1.903 286 A HA -0.100 4.220 4.320 -0.000 0.000 0.213 286 A C 2.315 179.931 177.584 0.053 0.000 1.185 286 A CA 1.624 53.687 52.037 0.044 0.000 0.628 286 A CB -1.093 17.938 19.000 0.052 0.000 0.830 286 A HN 0.513 nan 8.150 nan 0.000 0.446 287 T N -1.909 112.669 114.554 0.041 0.000 2.812 287 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 287 T C 1.270 176.001 174.700 0.051 0.000 1.042 287 T CA 1.559 63.686 62.100 0.046 0.000 1.140 287 T CB -0.551 68.337 68.868 0.034 0.000 0.870 287 T HN 0.278 nan 8.240 nan 0.000 0.445 288 D N 0.708 121.132 120.400 0.040 0.000 2.218 288 D HA 0.013 4.653 4.640 -0.000 0.000 0.204 288 D C 1.760 178.135 176.300 0.125 0.000 0.976 288 D CA 0.766 54.805 54.000 0.065 0.000 0.853 288 D CB -0.344 40.449 40.800 -0.011 0.000 0.939 288 D HN 0.345 nan 8.370 nan 0.000 0.481 289 M N -0.529 119.110 119.600 0.065 0.000 2.476 289 M HA 0.200 4.680 4.480 -0.000 0.000 0.262 289 M C 1.742 177.990 176.300 -0.086 0.000 1.111 289 M CA 0.821 56.136 55.300 0.024 0.000 1.127 289 M CB 0.129 32.704 32.600 -0.043 0.000 1.376 289 M HN -0.041 nan 8.290 nan 0.000 0.465 290 G N -0.396 108.407 108.800 0.006 0.000 2.494 290 G HA2 0.017 3.977 3.960 -0.000 0.000 0.216 290 G HA3 0.017 3.977 3.960 -0.000 0.000 0.216 290 G C 1.217 176.142 174.900 0.041 0.000 1.140 290 G CA 0.136 45.267 45.100 0.050 0.000 0.801 290 G HN 0.458 nan 8.290 nan 0.000 0.536 291 L N -0.198 121.056 121.223 0.051 0.000 2.610 291 L HA 0.242 4.582 4.340 -0.000 0.000 0.232 291 L C 2.060 178.942 176.870 0.021 0.000 1.149 291 L CA 0.030 54.903 54.840 0.056 0.000 0.872 291 L CB 0.061 42.175 42.059 0.092 0.000 0.992 291 L HN 0.217 nan 8.230 nan 0.000 0.447 292 L N -1.932 119.277 121.223 -0.025 0.000 2.638 292 L HA 0.100 4.440 4.340 -0.000 0.000 0.195 292 L C 2.252 179.051 176.870 -0.119 0.000 1.065 292 L CA 0.663 55.437 54.840 -0.111 0.000 0.859 292 L CB -0.046 41.876 42.059 -0.228 0.000 1.269 292 L HN -0.041 nan 8.230 nan 0.000 0.484 293 Q N 0.386 120.107 119.800 -0.131 0.000 2.167 293 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 293 Q C 1.557 177.558 176.000 0.002 0.000 0.970 293 Q CA 1.072 56.812 55.803 -0.105 0.000 0.855 293 Q CB -0.102 28.491 28.738 -0.242 0.000 0.911 293 Q HN 0.522 nan 8.270 nan 0.000 0.438 294 E N 0.353 120.570 120.200 0.028 0.000 2.427 294 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 294 E C 1.456 178.065 176.600 0.015 0.000 1.028 294 E CA 0.186 56.616 56.400 0.050 0.000 0.864 294 E CB 0.085 29.828 29.700 0.072 0.000 0.813 294 E HN 0.289 nan 8.360 nan 0.000 0.514 295 R N 0.192 120.685 120.500 -0.011 0.000 2.310 295 R HA 0.205 4.545 4.340 -0.000 0.000 0.202 295 R C 0.668 176.947 176.300 -0.035 0.000 0.933 295 R CA 0.167 56.254 56.100 -0.022 0.000 1.054 295 R CB 0.347 30.627 30.300 -0.034 0.000 0.985 295 R HN 0.028 nan 8.270 nan 0.000 0.489 296 I N 0.994 121.540 120.570 -0.041 0.000 2.395 296 I HA 0.148 4.318 4.170 -0.000 0.000 0.282 296 I C -0.113 175.979 176.117 -0.041 0.000 1.107 296 I CA -0.132 61.135 61.300 -0.054 0.000 1.210 296 I CB 1.262 39.213 38.000 -0.082 0.000 1.456 296 I HN -0.101 nan 8.210 nan 0.000 0.504 297 T N 2.056 116.588 114.554 -0.036 0.000 2.754 297 T HA 0.369 4.719 4.350 -0.000 0.000 0.296 297 T C -0.531 174.145 174.700 -0.040 0.000 1.205 297 T CA -0.284 61.795 62.100 -0.035 0.000 1.009 297 T CB 1.954 70.807 68.868 -0.025 0.000 1.368 297 T HN 0.227 nan 8.240 nan 0.000 0.509 298 T N 2.877 117.405 114.554 -0.044 0.000 2.747 298 T HA 0.455 4.805 4.350 -0.000 0.000 0.301 298 T C 0.781 175.452 174.700 -0.049 0.000 0.952 298 T CA -0.512 61.560 62.100 -0.047 0.000 0.983 298 T CB 0.241 69.079 68.868 -0.050 0.000 0.930 298 T HN 0.804 nan 8.240 nan 0.000 0.494 299 T N 1.218 115.746 114.554 -0.042 0.000 2.801 299 T HA 0.295 4.645 4.350 -0.000 0.000 0.324 299 T C 1.262 175.935 174.700 -0.045 0.000 1.088 299 T CA -0.527 61.547 62.100 -0.044 0.000 0.975 299 T CB 0.824 69.670 68.868 -0.037 0.000 1.316 299 T HN 0.407 nan 8.240 nan 0.000 0.533 300 K N -0.280 120.094 120.400 -0.044 0.000 2.400 300 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 300 K C 2.265 178.845 176.600 -0.033 0.000 1.033 300 K CA 0.030 56.294 56.287 -0.040 0.000 1.021 300 K CB 0.136 32.612 32.500 -0.040 0.000 0.808 300 K HN 0.291 nan 8.250 nan 0.000 0.505 301 K N 0.140 120.520 120.400 -0.033 0.000 2.029 301 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 301 K C 1.368 177.955 176.600 -0.021 0.000 1.042 301 K CA 1.162 57.431 56.287 -0.031 0.000 0.949 301 K CB 0.146 32.621 32.500 -0.042 0.000 0.740 301 K HN 0.230 nan 8.250 nan 0.000 0.442 302 G N -0.353 108.435 108.800 -0.020 0.000 2.933 302 G HA2 0.367 4.327 3.960 -0.000 0.000 0.203 302 G HA3 0.367 4.327 3.960 -0.000 0.000 0.203 302 G C -1.298 173.589 174.900 -0.022 0.000 1.170 302 G CA 0.069 45.162 45.100 -0.013 0.000 0.880 302 G HN 0.238 nan 8.290 nan 0.000 0.573 303 S N -1.780 113.908 115.700 -0.020 0.000 2.547 303 S HA 0.644 5.114 4.470 -0.000 0.000 0.270 303 S C -1.747 172.835 174.600 -0.029 0.000 1.150 303 S CA -0.621 57.558 58.200 -0.035 0.000 0.850 303 S CB 1.882 65.048 63.200 -0.056 0.000 1.118 303 S HN 1.088 nan 8.310 nan 0.000 0.461 304 V N 2.468 122.358 119.914 -0.040 0.000 2.357 304 V HA 0.493 4.613 4.120 -0.000 0.000 0.281 304 V C -0.250 175.794 176.094 -0.083 0.000 1.015 304 V CA -0.325 61.946 62.300 -0.049 0.000 0.827 304 V CB 1.292 33.095 31.823 -0.033 0.000 1.018 304 V HN 1.048 nan 8.190 nan 0.000 0.432 305 T N 3.190 117.681 114.554 -0.105 0.000 2.882 305 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 305 T C 0.088 174.670 174.700 -0.197 0.000 0.992 305 T CA -0.306 61.717 62.100 -0.128 0.000 1.076 305 T CB 1.357 70.168 68.868 -0.096 0.000 0.961 305 T HN 0.547 nan 8.240 nan 0.000 0.490 306 S N 1.658 117.230 115.700 -0.215 0.000 2.532 306 S HA 0.525 4.995 4.470 -0.000 0.000 0.299 306 S C -0.547 173.884 174.600 -0.282 0.000 1.105 306 S CA -0.722 57.312 58.200 -0.276 0.000 1.018 306 S CB 1.330 64.398 63.200 -0.220 0.000 1.021 306 S HN 0.492 nan 8.310 nan 0.000 0.483 307 V N 4.441 124.167 119.914 -0.312 0.000 2.311 307 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 307 V C -0.437 175.642 176.094 -0.025 0.000 1.022 307 V CA -0.550 61.669 62.300 -0.135 0.000 0.830 307 V CB 0.930 32.834 31.823 0.134 0.000 1.012 307 V HN 0.816 nan 8.190 nan 0.000 0.452 308 Q N 3.230 122.963 119.800 -0.112 0.000 2.331 308 Q HA 0.721 5.061 4.340 -0.000 0.000 0.267 308 Q C -0.080 175.833 176.000 -0.145 0.000 1.006 308 Q CA -0.585 55.155 55.803 -0.106 0.000 0.818 308 Q CB 2.405 31.057 28.738 -0.143 0.000 1.276 308 Q HN 0.838 nan 8.270 nan 0.000 0.450 309 A N 2.655 125.422 122.820 -0.088 0.000 2.492 309 A HA 0.379 4.699 4.320 -0.000 0.000 0.254 309 A C -0.163 177.346 177.584 -0.126 0.000 1.091 309 A CA -0.243 51.717 52.037 -0.128 0.000 0.768 309 A CB 0.252 19.242 19.000 -0.016 0.000 1.028 309 A HN 0.518 nan 8.150 nan 0.000 0.498 310 V N 3.429 123.162 119.914 -0.302 0.000 2.483 310 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 310 V C -0.473 175.687 176.094 0.110 0.000 1.035 310 V CA -0.445 61.790 62.300 -0.108 0.000 0.896 310 V CB 1.227 32.923 31.823 -0.212 0.000 0.986 310 V HN 0.806 nan 8.190 nan 0.000 0.447 311 Y N 3.966 124.331 120.300 0.109 0.000 2.387 311 Y HA 0.723 5.273 4.550 -0.000 0.000 0.336 311 Y C -0.520 175.357 175.900 -0.040 0.000 1.067 311 Y CA -0.693 57.416 58.100 0.014 0.000 1.114 311 Y CB 1.953 40.331 38.460 -0.137 0.000 1.208 311 Y HN 0.376 nan 8.280 nan 0.000 0.458 312 V N 7.628 127.154 119.914 -0.647 0.000 2.407 312 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 312 V C -2.402 173.349 176.094 -0.572 0.000 1.018 312 V CA -2.130 59.931 62.300 -0.399 0.000 0.842 312 V CB 1.459 33.148 31.823 -0.224 0.000 0.996 312 V HN 0.707 nan 8.190 nan 0.000 0.426 313 P HA 0.230 nan 4.420 nan 0.000 0.271 313 P C 0.529 177.806 177.300 -0.037 0.000 1.226 313 P CA 0.486 63.582 63.100 -0.007 0.000 0.765 313 P CB 0.837 32.645 31.700 0.179 0.000 0.835 314 A N 3.972 126.778 122.820 -0.023 0.000 2.798 314 A HA -0.258 4.062 4.320 -0.000 0.000 0.282 314 A C 0.761 178.304 177.584 -0.068 0.000 1.464 314 A CA 1.155 53.177 52.037 -0.025 0.000 0.844 314 A CB -2.553 16.453 19.000 0.010 0.000 1.006 314 A HN 0.636 nan 8.150 nan 0.000 0.577 315 D N -1.555 118.766 120.400 -0.132 0.000 2.811 315 D HA -0.181 4.459 4.640 -0.000 0.000 0.231 315 D C -0.248 175.984 176.300 -0.114 0.000 1.157 315 D CA 2.100 56.015 54.000 -0.142 0.000 0.716 315 D CB -1.131 39.602 40.800 -0.113 0.000 1.077 315 D HN 0.957 nan 8.370 nan 0.000 0.428 316 D N 0.015 120.357 120.400 -0.096 0.000 2.427 316 D HA 0.273 4.913 4.640 -0.000 0.000 0.226 316 D C 1.338 177.577 176.300 -0.101 0.000 1.076 316 D CA -0.536 53.420 54.000 -0.073 0.000 0.849 316 D CB 0.470 41.256 40.800 -0.023 0.000 1.052 316 D HN 0.057 nan 8.370 nan 0.000 0.515 317 L N 2.415 123.551 121.223 -0.145 0.000 2.376 317 L HA -0.025 4.314 4.340 -0.000 0.000 0.219 317 L C 2.116 178.890 176.870 -0.159 0.000 1.133 317 L CA 1.150 55.856 54.840 -0.224 0.000 0.816 317 L CB -0.380 41.516 42.059 -0.271 0.000 0.933 317 L HN 0.498 nan 8.230 nan 0.000 0.449 318 T N -4.591 109.911 114.554 -0.087 0.000 3.129 318 T HA -0.035 4.314 4.350 -0.000 0.000 0.251 318 T C 0.706 175.399 174.700 -0.012 0.000 1.117 318 T CA -0.373 61.699 62.100 -0.046 0.000 1.034 318 T CB -0.296 68.555 68.868 -0.028 0.000 0.968 318 T HN 0.117 nan 8.240 nan 0.000 0.526 319 D N 2.426 122.825 120.400 -0.002 0.000 2.424 319 D HA 0.105 4.745 4.640 -0.000 0.000 0.244 319 D C -1.511 174.802 176.300 0.022 0.000 1.134 319 D CA -1.920 52.118 54.000 0.063 0.000 0.881 319 D CB 1.819 42.689 40.800 0.117 0.000 1.191 319 D HN -0.017 nan 8.370 nan 0.000 0.445 320 P HA -0.187 nan 4.420 nan 0.000 0.216 320 P C 0.975 178.127 177.300 -0.247 0.000 1.157 320 P CA 2.098 65.121 63.100 -0.127 0.000 0.880 320 P CB 0.063 31.663 31.700 -0.166 0.000 0.791 321 A N 0.157 122.715 122.820 -0.437 0.000 1.859 321 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 321 A C 0.101 177.722 177.584 0.062 0.000 1.198 321 A CA 2.794 54.676 52.037 -0.258 0.000 0.629 321 A CB -2.363 16.695 19.000 0.096 0.000 0.830 321 A HN 0.248 nan 8.150 nan 0.000 0.446 322 P HA -0.066 nan 4.420 nan 0.000 0.215 322 P C 1.688 179.091 177.300 0.171 0.000 1.157 322 P CA 1.909 65.123 63.100 0.190 0.000 0.856 322 P CB -0.281 31.409 31.700 -0.016 0.000 0.786 323 A N 0.069 122.904 122.820 0.025 0.000 1.917 323 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 323 A C 2.374 180.035 177.584 0.128 0.000 1.182 323 A CA 2.740 54.803 52.037 0.043 0.000 0.633 323 A CB -2.043 16.955 19.000 -0.003 0.000 0.819 323 A HN 0.218 nan 8.150 nan 0.000 0.448 324 T N -0.287 114.326 114.554 0.099 0.000 2.777 324 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 324 T C 1.988 176.823 174.700 0.225 0.000 1.040 324 T CA 1.923 64.097 62.100 0.123 0.000 1.141 324 T CB -0.461 68.431 68.868 0.040 0.000 0.868 324 T HN 0.650 nan 8.240 nan 0.000 0.444 325 T N 1.372 116.060 114.554 0.225 0.000 2.851 325 T HA 0.069 4.419 4.350 -0.000 0.000 0.262 325 T C 1.565 176.430 174.700 0.275 0.000 1.043 325 T CA 0.573 62.805 62.100 0.219 0.000 1.140 325 T CB -0.491 68.495 68.868 0.196 0.000 0.872 325 T HN 0.214 nan 8.240 nan 0.000 0.446 326 F N 2.037 122.056 119.950 0.115 0.000 2.333 326 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 326 F C 2.561 178.413 175.800 0.087 0.000 1.083 326 F CA 0.238 58.298 58.000 0.101 0.000 1.395 326 F CB -0.685 38.368 39.000 0.089 0.000 1.056 326 F HN 0.160 nan 8.300 nan 0.000 0.529 327 A N -1.085 121.885 122.820 0.250 0.000 1.972 327 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 327 A C 1.953 179.532 177.584 -0.009 0.000 1.169 327 A CA 1.568 53.664 52.037 0.098 0.000 0.635 327 A CB -0.880 18.151 19.000 0.051 0.000 0.810 327 A HN 0.481 nan 8.150 nan 0.000 0.446 328 H N -1.126 117.958 119.070 0.023 0.000 2.544 328 H HA 0.221 4.777 4.556 -0.000 0.000 0.269 328 H C 0.176 175.467 175.328 -0.061 0.000 0.970 328 H CA -0.014 56.025 56.048 -0.016 0.000 1.219 328 H CB 0.026 29.778 29.762 -0.017 0.000 1.421 328 H HN 0.315 nan 8.280 nan 0.000 0.555 329 L N 1.600 122.828 121.223 0.008 0.000 2.456 329 L HA -0.064 4.276 4.340 -0.000 0.000 0.272 329 L C 1.038 177.860 176.870 -0.081 0.000 1.189 329 L CA 0.098 54.869 54.840 -0.114 0.000 0.846 329 L CB 0.733 42.609 42.059 -0.306 0.000 1.111 329 L HN 0.141 nan 8.230 nan 0.000 0.475 330 D N 1.243 121.583 120.400 -0.099 0.000 2.566 330 D HA 0.212 4.852 4.640 -0.000 0.000 0.253 330 D C 0.237 176.498 176.300 -0.065 0.000 0.992 330 D CA 0.611 54.569 54.000 -0.069 0.000 0.940 330 D CB 0.680 41.439 40.800 -0.070 0.000 1.095 330 D HN 0.566 nan 8.370 nan 0.000 0.480 331 A N 0.150 122.903 122.820 -0.112 0.000 2.469 331 A HA 0.647 4.967 4.320 -0.000 0.000 0.299 331 A C -0.503 177.021 177.584 -0.101 0.000 1.098 331 A CA -0.470 51.519 52.037 -0.079 0.000 0.737 331 A CB 1.623 20.584 19.000 -0.064 0.000 1.312 331 A HN 0.041 nan 8.150 nan 0.000 0.414 332 T N -1.277 113.278 114.554 0.001 0.000 2.863 332 T HA 0.717 5.067 4.350 -0.000 0.000 0.285 332 T C -0.642 174.132 174.700 0.124 0.000 1.009 332 T CA -0.530 61.615 62.100 0.075 0.000 0.989 332 T CB 1.543 70.528 68.868 0.196 0.000 1.004 332 T HN 0.485 nan 8.240 nan 0.000 0.455 333 T N 2.643 117.278 114.554 0.136 0.000 2.934 333 T HA 0.444 4.794 4.350 -0.000 0.000 0.328 333 T C -0.277 174.499 174.700 0.126 0.000 1.068 333 T CA -0.534 61.637 62.100 0.118 0.000 1.018 333 T CB 0.700 69.619 68.868 0.086 0.000 1.009 333 T HN 0.646 nan 8.240 nan 0.000 0.471 334 V N 5.495 125.484 119.914 0.125 0.000 2.368 334 V HA 0.311 4.430 4.120 -0.000 0.000 0.266 334 V C 0.337 176.453 176.094 0.038 0.000 1.045 334 V CA -0.614 61.758 62.300 0.121 0.000 0.899 334 V CB 0.680 32.526 31.823 0.038 0.000 1.006 334 V HN 0.776 nan 8.190 nan 0.000 0.470 335 L N 4.595 125.836 121.223 0.030 0.000 2.389 335 L HA 0.288 4.628 4.340 -0.000 0.000 0.265 335 L C 0.822 177.708 176.870 0.026 0.000 1.167 335 L CA 0.282 55.122 54.840 -0.000 0.000 1.045 335 L CB 0.720 42.761 42.059 -0.030 0.000 1.351 335 L HN 0.667 nan 8.230 nan 0.000 0.419 336 S N 1.789 117.497 115.700 0.013 0.000 2.528 336 S HA 0.131 4.601 4.470 -0.000 0.000 0.277 336 S C 1.293 175.895 174.600 0.004 0.000 1.297 336 S CA -0.443 57.761 58.200 0.006 0.000 1.052 336 S CB 0.875 64.071 63.200 -0.007 0.000 0.917 336 S HN 0.665 nan 8.310 nan 0.000 0.492 337 R N 3.313 123.821 120.500 0.013 0.000 2.237 337 R HA -0.034 4.305 4.340 -0.000 0.000 0.219 337 R C 1.927 178.227 176.300 -0.001 0.000 1.080 337 R CA 1.249 57.359 56.100 0.016 0.000 0.995 337 R CB -0.754 29.564 30.300 0.031 0.000 0.875 337 R HN 0.821 nan 8.270 nan 0.000 0.462 338 G N 0.600 109.397 108.800 -0.006 0.000 2.509 338 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 338 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 338 G C 1.215 176.103 174.900 -0.020 0.000 1.124 338 G CA 0.194 45.289 45.100 -0.009 0.000 0.776 338 G HN 0.188 nan 8.290 nan 0.000 0.547 339 I N 0.764 121.311 120.570 -0.039 0.000 2.585 339 I HA 0.017 4.187 4.170 -0.000 0.000 0.254 339 I C 2.691 178.707 176.117 -0.167 0.000 1.129 339 I CA 0.988 62.245 61.300 -0.072 0.000 1.455 339 I CB -0.831 37.132 38.000 -0.063 0.000 1.111 339 I HN 0.232 nan 8.210 nan 0.000 0.433 340 S N 0.597 116.191 115.700 -0.178 0.000 2.423 340 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 340 S C 1.916 176.443 174.600 -0.122 0.000 1.014 340 S CA 1.329 59.354 58.200 -0.292 0.000 0.965 340 S CB -0.122 63.048 63.200 -0.050 0.000 0.785 340 S HN 0.451 nan 8.310 nan 0.000 0.495 341 E N 0.229 120.404 120.200 -0.042 0.000 2.106 341 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 341 E C 1.482 178.089 176.600 0.012 0.000 0.984 341 E CA 0.845 57.251 56.400 0.010 0.000 0.806 341 E CB -0.088 29.620 29.700 0.013 0.000 0.750 341 E HN 0.540 nan 8.360 nan 0.000 0.458 342 L N -0.303 120.911 121.223 -0.014 0.000 2.650 342 L HA 0.133 4.473 4.340 -0.000 0.000 0.235 342 L C 1.287 178.174 176.870 0.029 0.000 1.149 342 L CA 0.417 55.266 54.840 0.014 0.000 0.887 342 L CB -0.006 42.067 42.059 0.023 0.000 1.021 342 L HN 0.369 nan 8.230 nan 0.000 0.441 343 G N 0.487 109.281 108.800 -0.010 0.000 2.153 343 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 343 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 343 G C 0.205 175.112 174.900 0.011 0.000 0.994 343 G CA -0.242 44.923 45.100 0.108 0.000 0.698 343 G HN 0.188 nan 8.290 nan 0.000 0.521 344 I N 0.469 120.873 120.570 -0.277 0.000 2.342 344 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 344 I C -0.050 175.730 176.117 -0.561 0.000 1.010 344 I CA -1.119 60.045 61.300 -0.226 0.000 1.308 344 I CB 0.142 38.083 38.000 -0.098 0.000 1.400 344 I HN 0.083 nan 8.210 nan 0.000 0.488 345 Y N 6.412 126.681 120.300 -0.051 0.000 2.421 345 Y HA 0.405 4.955 4.550 -0.000 0.000 0.339 345 Y C -2.197 173.591 175.900 -0.187 0.000 0.996 345 Y CA -2.436 55.628 58.100 -0.059 0.000 1.046 345 Y CB 1.997 40.416 38.460 -0.069 0.000 1.226 345 Y HN 0.425 nan 8.280 nan 0.000 0.445 346 P HA 0.025 nan 4.420 nan 0.000 0.268 346 P C -0.022 177.383 177.300 0.176 0.000 1.208 346 P CA -0.002 63.322 63.100 0.373 0.000 0.777 346 P CB 1.034 33.141 31.700 0.677 0.000 0.875 347 A N 2.437 125.351 122.820 0.156 0.000 2.346 347 A HA 0.145 4.465 4.320 -0.000 0.000 0.242 347 A C 0.638 178.236 177.584 0.023 0.000 1.323 347 A CA -0.160 51.873 52.037 -0.007 0.000 0.940 347 A CB -1.069 17.928 19.000 -0.006 0.000 0.943 347 A HN 0.374 nan 8.150 nan 0.000 0.501 348 V N 1.616 121.574 119.914 0.073 0.000 2.485 348 V HA -0.012 4.107 4.120 -0.000 0.000 0.287 348 V C 0.425 176.542 176.094 0.038 0.000 1.022 348 V CA -0.260 62.074 62.300 0.056 0.000 1.067 348 V CB 0.560 32.458 31.823 0.125 0.000 0.967 348 V HN 0.500 nan 8.190 nan 0.000 0.479 349 D N 8.572 128.987 120.400 0.025 0.000 2.338 349 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 349 D C -1.081 175.235 176.300 0.027 0.000 1.237 349 D CA -1.869 52.142 54.000 0.019 0.000 0.883 349 D CB 1.861 42.664 40.800 0.005 0.000 1.087 349 D HN 0.288 nan 8.370 nan 0.000 0.485 350 P HA -0.116 nan 4.420 nan 0.000 0.219 350 P C 1.441 178.749 177.300 0.014 0.000 1.146 350 P CA 0.847 63.960 63.100 0.022 0.000 0.808 350 P CB 0.529 32.242 31.700 0.022 0.000 0.779 351 L N -1.085 120.146 121.223 0.013 0.000 2.286 351 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 351 L C 2.094 178.965 176.870 0.001 0.000 1.068 351 L CA 0.885 55.728 54.840 0.006 0.000 0.811 351 L CB -0.956 41.107 42.059 0.006 0.000 0.989 351 L HN -0.170 nan 8.230 nan 0.000 0.467 352 D N 0.299 120.697 120.400 -0.003 0.000 2.117 352 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 352 D C 0.846 177.149 176.300 0.005 0.000 0.982 352 D CA 0.749 54.738 54.000 -0.018 0.000 0.828 352 D CB -0.005 40.769 40.800 -0.042 0.000 0.967 352 D HN 0.049 nan 8.370 nan 0.000 0.464 353 S N 0.726 116.444 115.700 0.030 0.000 2.516 353 S HA 0.247 4.717 4.470 -0.000 0.000 0.282 353 S C 0.179 174.812 174.600 0.055 0.000 1.286 353 S CA -0.001 58.236 58.200 0.062 0.000 1.066 353 S CB 0.744 63.994 63.200 0.084 0.000 0.884 353 S HN 0.059 nan 8.310 nan 0.000 0.491 354 K N 1.257 121.695 120.400 0.063 0.000 2.502 354 K HA 0.569 4.889 4.320 -0.000 0.000 0.257 354 K C -0.878 175.755 176.600 0.055 0.000 0.938 354 K CA -0.626 55.691 56.287 0.051 0.000 0.819 354 K CB 2.162 34.687 32.500 0.042 0.000 1.333 354 K HN 0.487 nan 8.250 nan 0.000 0.434 355 S N 0.461 116.190 115.700 0.048 0.000 2.542 355 S HA 0.293 4.763 4.470 -0.000 0.000 0.293 355 S C 0.473 175.093 174.600 0.034 0.000 1.089 355 S CA -0.698 57.528 58.200 0.043 0.000 0.961 355 S CB 1.730 64.965 63.200 0.059 0.000 1.062 355 S HN 0.736 nan 8.310 nan 0.000 0.483 356 R N 2.775 123.288 120.500 0.023 0.000 2.148 356 R HA 0.209 4.549 4.340 -0.000 0.000 0.223 356 R C 1.000 177.315 176.300 0.024 0.000 1.088 356 R CA 0.945 57.059 56.100 0.023 0.000 0.985 356 R CB -0.187 30.118 30.300 0.009 0.000 0.880 356 R HN 0.724 nan 8.270 nan 0.000 0.451 357 L N 1.387 122.621 121.223 0.018 0.000 2.627 357 L HA 0.050 4.390 4.340 -0.000 0.000 0.232 357 L C 0.393 177.271 176.870 0.013 0.000 1.150 357 L CA -0.266 54.581 54.840 0.011 0.000 0.917 357 L CB 0.189 42.248 42.059 0.000 0.000 1.104 357 L HN 0.136 nan 8.230 nan 0.000 0.445 358 L N 0.832 122.077 121.223 0.038 0.000 2.672 358 L HA 0.215 4.555 4.340 -0.000 0.000 0.238 358 L C -0.280 176.713 176.870 0.205 0.000 1.392 358 L CA 0.360 55.235 54.840 0.058 0.000 1.238 358 L CB -0.575 41.504 42.059 0.033 0.000 1.548 358 L HN 0.037 nan 8.230 nan 0.000 0.423 359 D N -0.272 120.234 120.400 0.176 0.000 2.433 359 D HA 0.500 5.140 4.640 -0.000 0.000 0.236 359 D C 0.905 177.248 176.300 0.073 0.000 1.026 359 D CA 0.022 54.119 54.000 0.162 0.000 0.884 359 D CB 2.157 42.974 40.800 0.029 0.000 1.384 359 D HN 0.096 nan 8.370 nan 0.000 0.477 360 A N 1.895 124.570 122.820 -0.242 0.000 2.172 360 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 360 A C 1.701 179.234 177.584 -0.085 0.000 1.154 360 A CA 1.682 53.602 52.037 -0.194 0.000 0.701 360 A CB -0.553 18.183 19.000 -0.439 0.000 0.789 360 A HN 0.530 nan 8.150 nan 0.000 0.465 361 A N -1.047 121.725 122.820 -0.078 0.000 2.095 361 A HA 0.312 4.632 4.320 -0.000 0.000 0.212 361 A C 1.899 179.470 177.584 -0.022 0.000 1.162 361 A CA 1.228 53.237 52.037 -0.047 0.000 0.753 361 A CB -0.099 18.872 19.000 -0.050 0.000 0.840 361 A HN 0.316 nan 8.150 nan 0.000 0.468 362 V N -0.452 119.453 119.914 -0.015 0.000 2.521 362 V HA -0.057 4.063 4.120 -0.000 0.000 0.239 362 V C 2.274 178.360 176.094 -0.013 0.000 1.053 362 V CA 1.528 63.821 62.300 -0.013 0.000 1.073 362 V CB -0.137 31.678 31.823 -0.014 0.000 0.746 362 V HN 0.466 nan 8.190 nan 0.000 0.476 363 V N -1.537 118.363 119.914 -0.023 0.000 3.650 363 V HA 0.732 4.852 4.120 -0.000 0.000 0.271 363 V C 0.810 176.930 176.094 0.043 0.000 1.281 363 V CA 0.308 62.582 62.300 -0.043 0.000 1.120 363 V CB -0.550 31.126 31.823 -0.245 0.000 0.856 363 V HN 0.921 nan 8.190 nan 0.000 0.443 364 G N 0.560 109.394 108.800 0.056 0.000 2.770 364 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 364 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 364 G C -0.222 174.750 174.900 0.120 0.000 1.180 364 G CA 0.153 45.302 45.100 0.081 0.000 0.767 364 G HN 0.416 nan 8.290 nan 0.000 0.646 365 Q N 0.281 120.129 119.800 0.080 0.000 2.181 365 Q HA -0.092 4.248 4.340 -0.000 0.000 0.205 365 Q C 2.199 178.293 176.000 0.156 0.000 0.980 365 Q CA 2.836 58.693 55.803 0.091 0.000 0.862 365 Q CB -0.126 28.635 28.738 0.039 0.000 0.905 365 Q HN 0.810 nan 8.270 nan 0.000 0.429 366 E N -1.102 119.178 120.200 0.133 0.000 2.017 366 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 366 E C 1.929 178.625 176.600 0.160 0.000 0.997 366 E CA 1.192 57.667 56.400 0.124 0.000 0.804 366 E CB -0.270 29.488 29.700 0.096 0.000 0.757 366 E HN 0.532 nan 8.360 nan 0.000 0.448 367 H N -0.461 118.663 119.070 0.090 0.000 2.352 367 H HA -0.205 4.351 4.556 -0.000 0.000 0.299 367 H C 1.967 177.344 175.328 0.082 0.000 1.097 367 H CA 2.008 58.100 56.048 0.074 0.000 1.311 367 H CB -0.475 29.329 29.762 0.069 0.000 1.377 367 H HN 0.319 nan 8.280 nan 0.000 0.504 368 Y N 1.699 122.130 120.300 0.217 0.000 2.128 368 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 368 Y C 2.308 178.262 175.900 0.090 0.000 1.154 368 Y CA 2.117 60.297 58.100 0.132 0.000 1.149 368 Y CB -0.253 38.248 38.460 0.068 0.000 0.976 368 Y HN 0.190 nan 8.280 nan 0.000 0.505 369 D N -0.607 119.944 120.400 0.252 0.000 2.123 369 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 369 D C 2.371 178.687 176.300 0.026 0.000 0.992 369 D CA 1.795 55.876 54.000 0.136 0.000 0.833 369 D CB -0.449 40.432 40.800 0.135 0.000 0.954 369 D HN 0.318 nan 8.370 nan 0.000 0.455 370 V N 1.364 121.290 119.914 0.019 0.000 2.358 370 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 370 V C 2.524 178.568 176.094 -0.084 0.000 1.047 370 V CA 1.748 64.031 62.300 -0.028 0.000 1.035 370 V CB -0.757 31.030 31.823 -0.059 0.000 0.658 370 V HN 0.174 nan 8.190 nan 0.000 0.452 371 A N -0.452 122.309 122.820 -0.098 0.000 1.969 371 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 371 A C 2.462 179.949 177.584 -0.162 0.000 1.169 371 A CA 1.991 53.952 52.037 -0.127 0.000 0.635 371 A CB -0.540 18.451 19.000 -0.013 0.000 0.810 371 A HN 0.499 nan 8.150 nan 0.000 0.445 372 S N -0.204 115.364 115.700 -0.221 0.000 2.383 372 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 372 S C 1.924 176.465 174.600 -0.099 0.000 1.026 372 S CA 1.492 59.563 58.200 -0.215 0.000 0.981 372 S CB -0.165 62.864 63.200 -0.286 0.000 0.818 372 S HN 0.627 nan 8.310 nan 0.000 0.472 373 K N 0.809 121.171 120.400 -0.064 0.000 2.025 373 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 373 K C 2.075 178.661 176.600 -0.023 0.000 1.049 373 K CA 1.064 57.335 56.287 -0.025 0.000 0.933 373 K CB -0.456 32.041 32.500 -0.004 0.000 0.714 373 K HN 0.122 nan 8.250 nan 0.000 0.438 374 V N 2.072 121.962 119.914 -0.039 0.000 2.231 374 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 374 V C 2.348 178.423 176.094 -0.031 0.000 1.054 374 V CA 1.890 64.170 62.300 -0.033 0.000 1.015 374 V CB -0.564 31.189 31.823 -0.117 0.000 0.638 374 V HN 0.385 nan 8.190 nan 0.000 0.444 375 Q N -0.565 119.204 119.800 -0.052 0.000 2.061 375 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 375 Q C 2.369 178.363 176.000 -0.011 0.000 0.984 375 Q CA 1.986 57.769 55.803 -0.034 0.000 0.846 375 Q CB -0.260 28.447 28.738 -0.052 0.000 0.902 375 Q HN 0.718 nan 8.270 nan 0.000 0.421 376 E N -0.282 119.908 120.200 -0.017 0.000 2.265 376 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 376 E C 1.360 177.970 176.600 0.016 0.000 0.996 376 E CA 1.346 57.745 56.400 -0.001 0.000 0.832 376 E CB 0.242 29.939 29.700 -0.004 0.000 0.756 376 E HN 0.303 nan 8.360 nan 0.000 0.491 377 T N 0.462 115.026 114.554 0.016 0.000 2.937 377 T HA 0.012 4.362 4.350 -0.000 0.000 0.260 377 T C 1.796 176.532 174.700 0.060 0.000 1.051 377 T CA 0.393 62.510 62.100 0.028 0.000 1.141 377 T CB -0.008 68.865 68.868 0.008 0.000 0.879 377 T HN 0.130 nan 8.240 nan 0.000 0.459 378 L N 0.839 122.095 121.223 0.055 0.000 2.201 378 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 378 L C 2.720 179.663 176.870 0.122 0.000 1.105 378 L CA 0.946 55.847 54.840 0.102 0.000 0.775 378 L CB -0.292 41.807 42.059 0.067 0.000 0.913 378 L HN 0.187 nan 8.230 nan 0.000 0.440 379 Q N -0.424 119.418 119.800 0.069 0.000 2.331 379 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 379 Q C 2.119 178.146 176.000 0.046 0.000 0.944 379 Q CA 1.660 57.491 55.803 0.046 0.000 0.892 379 Q CB -0.021 28.731 28.738 0.023 0.000 0.983 379 Q HN 0.539 nan 8.270 nan 0.000 0.482 380 T N -2.632 111.961 114.554 0.066 0.000 3.014 380 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 380 T C 1.572 176.327 174.700 0.092 0.000 1.078 380 T CA 0.742 62.879 62.100 0.061 0.000 1.135 380 T CB -0.512 68.391 68.868 0.058 0.000 0.895 380 T HN 0.332 nan 8.240 nan 0.000 0.480 381 Y N 1.989 122.288 120.300 -0.002 0.000 2.286 381 Y HA 0.264 4.814 4.550 0.000 0.000 0.293 381 Y C 2.374 178.273 175.900 -0.001 0.000 1.124 381 Y CA 0.899 58.999 58.100 -0.001 0.000 1.178 381 Y CB -0.140 38.320 38.460 -0.000 0.000 1.010 381 Y HN 0.098 nan 8.280 nan 0.000 0.536 382 K N -0.143 120.228 120.400 -0.049 0.000 2.148 382 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 382 K C 2.130 178.653 176.600 -0.130 0.000 1.050 382 K CA 1.423 57.635 56.287 -0.126 0.000 0.942 382 K CB -0.113 32.374 32.500 -0.020 0.000 0.724 382 K HN 0.477 nan 8.250 nan 0.000 0.446 383 S N 0.420 116.073 115.700 -0.079 0.000 2.414 383 S HA -0.038 4.431 4.470 -0.000 0.000 0.227 383 S C 1.853 176.403 174.600 -0.082 0.000 1.022 383 S CA 0.369 58.531 58.200 -0.063 0.000 0.958 383 S CB -0.325 62.857 63.200 -0.029 0.000 0.797 383 S HN 0.253 nan 8.310 nan 0.000 0.493 384 L N 1.285 122.446 121.223 -0.102 0.000 2.549 384 L HA 0.008 4.348 4.340 -0.000 0.000 0.229 384 L C 2.505 179.291 176.870 -0.141 0.000 1.158 384 L CA 0.431 55.214 54.840 -0.096 0.000 0.842 384 L CB -0.428 41.596 42.059 -0.058 0.000 0.952 384 L HN 0.301 nan 8.230 nan 0.000 0.452 385 Q N -0.146 119.534 119.800 -0.200 0.000 2.291 385 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 385 Q C 1.417 177.354 176.000 -0.105 0.000 0.976 385 Q CA 1.155 56.844 55.803 -0.189 0.000 0.875 385 Q CB -0.191 28.427 28.738 -0.201 0.000 0.927 385 Q HN 0.577 nan 8.270 nan 0.000 0.450 386 D N 0.633 120.985 120.400 -0.080 0.000 2.103 386 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 386 D C 1.970 178.246 176.300 -0.040 0.000 0.978 386 D CA 0.952 54.921 54.000 -0.052 0.000 0.829 386 D CB 0.058 40.833 40.800 -0.042 0.000 0.981 386 D HN 0.326 nan 8.370 nan 0.000 0.464 387 I N -0.917 119.631 120.570 -0.037 0.000 2.716 387 I HA 0.010 4.180 4.170 -0.000 0.000 0.259 387 I C 2.205 178.309 176.117 -0.021 0.000 1.172 387 I CA 0.655 61.941 61.300 -0.024 0.000 1.478 387 I CB -0.971 37.019 38.000 -0.017 0.000 1.104 387 I HN -0.073 nan 8.210 nan 0.000 0.439 388 I N 2.265 122.817 120.570 -0.030 0.000 2.546 388 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 388 I C 2.842 178.949 176.117 -0.018 0.000 1.163 388 I CA 1.051 62.339 61.300 -0.021 0.000 1.457 388 I CB -0.351 37.633 38.000 -0.027 0.000 1.092 388 I HN 0.204 nan 8.210 nan 0.000 0.434 389 A N 0.457 123.260 122.820 -0.027 0.000 2.067 389 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 389 A C 1.997 179.573 177.584 -0.013 0.000 1.158 389 A CA 1.551 53.575 52.037 -0.021 0.000 0.661 389 A CB -0.218 18.765 19.000 -0.027 0.000 0.801 389 A HN 0.368 nan 8.150 nan 0.000 0.452 390 I N -1.964 118.598 120.570 -0.012 0.000 3.873 390 I HA 0.136 4.306 4.170 -0.000 0.000 0.284 390 I C 2.050 178.164 176.117 -0.005 0.000 1.186 390 I CA 0.371 61.667 61.300 -0.008 0.000 1.362 390 I CB -0.259 37.735 38.000 -0.009 0.000 1.432 390 I HN 0.142 nan 8.210 nan 0.000 0.454 391 L N 0.219 121.439 121.223 -0.005 0.000 2.005 391 L HA 0.209 4.549 4.340 -0.000 0.000 0.207 391 L C 1.166 178.037 176.870 0.002 0.000 1.072 391 L CA 1.074 55.913 54.840 -0.001 0.000 0.744 391 L CB -0.857 41.202 42.059 -0.002 0.000 0.895 391 L HN 0.479 nan 8.230 nan 0.000 0.433 392 G N -1.336 107.466 108.800 0.003 0.000 2.525 392 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.685 392 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.685 392 G C 0.020 174.927 174.900 0.013 0.000 1.290 392 G CA -0.006 45.099 45.100 0.008 0.000 0.915 392 G HN 0.076 nan 8.290 nan 0.000 0.548 393 M N -0.230 119.381 119.600 0.018 0.000 2.394 393 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 393 M C 1.770 178.081 176.300 0.019 0.000 1.073 393 M CA 2.428 57.742 55.300 0.024 0.000 1.111 393 M CB -0.342 32.276 32.600 0.029 0.000 1.401 393 M HN 0.555 nan 8.290 nan 0.000 0.448 394 D N 0.703 121.112 120.400 0.014 0.000 2.218 394 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 394 D C 1.632 177.938 176.300 0.010 0.000 0.976 394 D CA 1.009 55.016 54.000 0.012 0.000 0.853 394 D CB -0.138 40.668 40.800 0.009 0.000 0.939 394 D HN 0.394 nan 8.370 nan 0.000 0.481 395 E N -0.082 120.124 120.200 0.010 0.000 2.481 395 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 395 E C 0.490 177.096 176.600 0.010 0.000 1.047 395 E CA -0.054 56.351 56.400 0.008 0.000 0.867 395 E CB 0.142 29.845 29.700 0.005 0.000 0.858 395 E HN 0.375 nan 8.360 nan 0.000 0.513 396 L N 1.957 123.189 121.223 0.014 0.000 2.453 396 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 396 L C 1.267 178.146 176.870 0.015 0.000 1.182 396 L CA -0.217 54.634 54.840 0.018 0.000 0.858 396 L CB 0.497 42.571 42.059 0.026 0.000 1.120 396 L HN -0.001 nan 8.230 nan 0.000 0.474 397 S N 1.389 117.097 115.700 0.015 0.000 2.625 397 S HA 0.066 4.535 4.470 -0.000 0.000 0.262 397 S C 0.923 175.530 174.600 0.013 0.000 1.223 397 S CA -0.457 57.750 58.200 0.012 0.000 0.993 397 S CB 0.824 64.030 63.200 0.011 0.000 1.051 397 S HN 0.712 nan 8.310 nan 0.000 0.562 398 E N 0.329 120.536 120.200 0.011 0.000 2.106 398 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 398 E C 1.918 178.524 176.600 0.011 0.000 0.984 398 E CA 1.353 57.759 56.400 0.010 0.000 0.806 398 E CB -0.270 29.435 29.700 0.008 0.000 0.750 398 E HN 0.766 nan 8.360 nan 0.000 0.458 399 Q N -0.182 119.626 119.800 0.012 0.000 2.302 399 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 399 Q C 1.617 177.628 176.000 0.017 0.000 0.936 399 Q CA 0.634 56.445 55.803 0.013 0.000 0.886 399 Q CB 0.245 28.990 28.738 0.013 0.000 0.986 399 Q HN 0.171 nan 8.270 nan 0.000 0.487 400 D N 1.991 122.403 120.400 0.020 0.000 2.077 400 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 400 D C 1.731 178.051 176.300 0.033 0.000 0.983 400 D CA 1.546 55.563 54.000 0.028 0.000 0.841 400 D CB -0.141 40.675 40.800 0.026 0.000 0.992 400 D HN 0.293 nan 8.370 nan 0.000 0.450 401 K N 0.661 121.079 120.400 0.028 0.000 2.281 401 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 401 K C 2.125 178.737 176.600 0.020 0.000 1.046 401 K CA 0.731 57.035 56.287 0.029 0.000 0.938 401 K CB -0.305 32.209 32.500 0.024 0.000 0.737 401 K HN 0.053 nan 8.250 nan 0.000 0.458 402 L N 2.577 123.808 121.223 0.015 0.000 2.005 402 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 402 L C 2.292 179.162 176.870 -0.001 0.000 1.072 402 L CA 2.458 57.302 54.840 0.006 0.000 0.744 402 L CB -0.785 41.278 42.059 0.007 0.000 0.895 402 L HN 0.504 nan 8.230 nan 0.000 0.433 403 T N -4.725 109.832 114.554 0.006 0.000 3.067 403 T HA -0.010 4.340 4.350 -0.000 0.000 0.261 403 T C 1.821 176.515 174.700 -0.009 0.000 1.110 403 T CA 0.850 62.949 62.100 -0.002 0.000 1.113 403 T CB -0.662 68.213 68.868 0.012 0.000 0.917 403 T HN 0.121 nan 8.240 nan 0.000 0.499 404 V N 1.723 121.648 119.914 0.017 0.000 2.515 404 V HA -0.100 4.020 4.120 -0.000 0.000 0.250 404 V C 2.746 178.806 176.094 -0.057 0.000 1.058 404 V CA 1.810 64.128 62.300 0.030 0.000 1.064 404 V CB -0.569 31.316 31.823 0.103 0.000 0.675 404 V HN 0.584 nan 8.190 nan 0.000 0.461 405 E N 0.109 120.284 120.200 -0.042 0.000 2.150 405 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 405 E C 2.362 178.890 176.600 -0.120 0.000 0.985 405 E CA 1.055 57.420 56.400 -0.058 0.000 0.814 405 E CB 0.118 29.803 29.700 -0.025 0.000 0.752 405 E HN 0.415 nan 8.360 nan 0.000 0.466 406 R N -0.006 120.417 120.500 -0.128 0.000 2.119 406 R HA 0.082 4.422 4.340 -0.000 0.000 0.222 406 R C 2.102 178.264 176.300 -0.229 0.000 1.088 406 R CA 1.093 57.084 56.100 -0.182 0.000 0.984 406 R CB -0.395 29.829 30.300 -0.127 0.000 0.884 406 R HN 0.161 nan 8.270 nan 0.000 0.447 407 A N 0.410 123.087 122.820 -0.238 0.000 1.933 407 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 407 A C 2.060 179.380 177.584 -0.440 0.000 1.175 407 A CA 1.419 53.258 52.037 -0.330 0.000 0.628 407 A CB -0.373 18.372 19.000 -0.424 0.000 0.814 407 A HN 0.207 nan 8.150 nan 0.000 0.444 408 R N -0.543 119.683 120.500 -0.457 0.000 2.236 408 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 408 R C 1.733 177.916 176.300 -0.195 0.000 1.036 408 R CA 1.095 56.997 56.100 -0.330 0.000 1.001 408 R CB -0.057 30.108 30.300 -0.225 0.000 0.896 408 R HN 0.527 nan 8.270 nan 0.000 0.464 409 K N -0.153 120.077 120.400 -0.283 0.000 2.128 409 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 409 K C 1.879 178.213 176.600 -0.444 0.000 1.050 409 K CA 0.508 56.504 56.287 -0.485 0.000 0.966 409 K CB 0.166 32.161 32.500 -0.842 0.000 0.759 409 K HN 0.054 nan 8.250 nan 0.000 0.454 410 I N 1.949 122.338 120.570 -0.302 0.000 2.179 410 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 410 I C 2.591 178.770 176.117 0.102 0.000 1.088 410 I CA 1.532 62.801 61.300 -0.051 0.000 1.357 410 I CB -1.024 37.009 38.000 0.055 0.000 1.051 410 I HN 0.340 nan 8.210 nan 0.000 0.409 411 Q N 1.022 120.828 119.800 0.010 0.000 2.112 411 Q HA -0.227 4.113 4.340 -0.000 0.000 0.206 411 Q C 2.314 178.366 176.000 0.088 0.000 0.987 411 Q CA 1.857 57.686 55.803 0.044 0.000 0.858 411 Q CB 0.054 28.785 28.738 -0.012 0.000 0.905 411 Q HN 0.446 nan 8.270 nan 0.000 0.420 412 R N -1.039 119.522 120.500 0.101 0.000 2.161 412 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 412 R C 1.956 178.367 176.300 0.185 0.000 1.055 412 R CA 0.705 56.912 56.100 0.179 0.000 0.996 412 R CB -0.129 30.321 30.300 0.251 0.000 0.901 412 R HN 0.231 nan 8.270 nan 0.000 0.456 413 F N 1.489 121.449 119.950 0.016 0.000 2.407 413 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 413 F C 1.629 177.460 175.800 0.050 0.000 1.097 413 F CA 0.928 58.929 58.000 0.002 0.000 1.422 413 F CB 0.009 38.895 39.000 -0.190 0.000 1.067 413 F HN -0.107 nan 8.300 nan 0.000 0.539 414 L N -0.228 121.069 121.223 0.122 0.000 2.017 414 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 414 L C 1.645 178.467 176.870 -0.079 0.000 1.073 414 L CA 0.815 55.698 54.840 0.072 0.000 0.745 414 L CB -1.281 40.844 42.059 0.111 0.000 0.894 414 L HN 0.135 nan 8.230 nan 0.000 0.432 415 S N 0.221 115.858 115.700 -0.106 0.000 2.559 415 S HA 0.090 4.560 4.470 -0.000 0.000 0.282 415 S C -0.253 174.165 174.600 -0.303 0.000 1.336 415 S CA -0.320 57.760 58.200 -0.200 0.000 1.037 415 S CB 1.103 64.141 63.200 -0.270 0.000 0.853 415 S HN 0.379 nan 8.310 nan 0.000 0.523 416 Q N 0.928 120.503 119.800 -0.375 0.000 2.403 416 Q HA 0.394 4.734 4.340 -0.000 0.000 0.267 416 Q C -3.296 172.353 176.000 -0.585 0.000 0.991 416 Q CA -1.906 53.645 55.803 -0.419 0.000 0.906 416 Q CB 1.928 30.465 28.738 -0.334 0.000 1.422 416 Q HN 0.459 nan 8.270 nan 0.000 0.400 417 P HA 0.199 nan 4.420 nan 0.000 0.276 417 P C -1.192 175.940 177.300 -0.280 0.000 1.243 417 P CA 0.081 62.978 63.100 -0.337 0.000 0.768 417 P CB 0.123 31.716 31.700 -0.179 0.000 0.856 418 F N 1.460 121.373 119.950 -0.062 0.000 2.394 418 F HA 0.385 4.912 4.527 -0.000 0.000 0.340 418 F C 1.660 177.432 175.800 -0.047 0.000 1.105 418 F CA -0.801 57.158 58.000 -0.068 0.000 1.124 418 F CB 0.312 39.269 39.000 -0.072 0.000 1.145 418 F HN 0.353 nan 8.300 nan 0.000 0.505 419 A N 2.313 125.227 122.820 0.156 0.000 1.972 419 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 419 A C 2.023 179.649 177.584 0.069 0.000 1.169 419 A CA 2.046 54.125 52.037 0.070 0.000 0.635 419 A CB -1.015 18.003 19.000 0.030 0.000 0.810 419 A HN 0.705 nan 8.150 nan 0.000 0.446 420 V N -3.414 116.548 119.914 0.080 0.000 2.871 420 V HA 0.239 4.359 4.120 -0.000 0.000 0.256 420 V C 2.141 178.326 176.094 0.152 0.000 1.082 420 V CA 1.314 63.658 62.300 0.073 0.000 1.105 420 V CB -0.927 30.903 31.823 0.012 0.000 0.713 420 V HN 0.461 nan 8.190 nan 0.000 0.473 421 A N 0.088 123.019 122.820 0.186 0.000 2.259 421 A HA 0.118 4.437 4.320 -0.000 0.000 0.208 421 A C 2.039 179.742 177.584 0.197 0.000 1.201 421 A CA 0.777 52.951 52.037 0.229 0.000 0.824 421 A CB -0.571 18.539 19.000 0.184 0.000 0.838 421 A HN 0.672 nan 8.150 nan 0.000 0.485 422 E N 0.151 120.427 120.200 0.127 0.000 2.150 422 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 422 E C 1.732 178.354 176.600 0.037 0.000 0.985 422 E CA 1.550 57.988 56.400 0.064 0.000 0.814 422 E CB -0.090 29.629 29.700 0.032 0.000 0.752 422 E HN 0.542 nan 8.360 nan 0.000 0.466 423 V N -1.834 118.092 119.914 0.020 0.000 3.041 423 V HA -0.058 4.062 4.120 -0.000 0.000 0.260 423 V C 1.634 177.580 176.094 -0.247 0.000 1.105 423 V CA 1.048 63.263 62.300 -0.142 0.000 1.125 423 V CB -0.653 31.016 31.823 -0.257 0.000 0.730 423 V HN 0.140 nan 8.190 nan 0.000 0.479 424 F N 1.874 121.813 119.950 -0.019 0.000 2.437 424 F HA 0.100 4.627 4.527 -0.000 0.000 0.288 424 F C 2.692 178.477 175.800 -0.026 0.000 1.085 424 F CA 1.396 59.383 58.000 -0.023 0.000 1.430 424 F CB -0.286 38.698 39.000 -0.026 0.000 1.120 424 F HN 0.275 nan 8.300 nan 0.000 0.556 425 T N -3.937 110.708 114.554 0.153 0.000 3.042 425 T HA 0.414 4.764 4.350 -0.000 0.000 0.245 425 T C 1.921 176.642 174.700 0.036 0.000 1.029 425 T CA 0.863 63.006 62.100 0.071 0.000 1.120 425 T CB 0.332 69.222 68.868 0.036 0.000 0.917 425 T HN 0.390 nan 8.240 nan 0.000 0.467 426 G N 1.781 110.597 108.800 0.027 0.000 2.258 426 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.233 426 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.233 426 G C 0.112 175.015 174.900 0.005 0.000 1.006 426 G CA -0.036 45.069 45.100 0.007 0.000 0.620 426 G HN 0.708 nan 8.290 nan 0.000 0.511 427 I N 4.035 124.608 120.570 0.005 0.000 2.505 427 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 427 I C -1.513 174.596 176.117 -0.013 0.000 1.104 427 I CA -1.707 59.589 61.300 -0.008 0.000 1.387 427 I CB 0.549 38.536 38.000 -0.021 0.000 1.404 427 I HN -0.022 nan 8.210 nan 0.000 0.528 428 P HA 0.002 nan 4.420 nan 0.000 0.262 428 P C 0.161 177.446 177.300 -0.025 0.000 1.199 428 P CA 0.014 63.105 63.100 -0.015 0.000 0.763 428 P CB 0.392 32.082 31.700 -0.017 0.000 0.790 429 G N 4.096 112.890 108.800 -0.011 0.000 2.380 429 G HA2 0.276 4.236 3.960 -0.000 0.000 0.262 429 G HA3 0.276 4.236 3.960 -0.000 0.000 0.262 429 G C -0.216 174.673 174.900 -0.019 0.000 1.243 429 G CA -0.434 44.659 45.100 -0.012 0.000 0.865 429 G HN 0.304 nan 8.290 nan 0.000 0.513 430 K N 1.702 122.078 120.400 -0.040 0.000 2.259 430 K HA 0.376 4.696 4.320 -0.000 0.000 0.252 430 K C -0.926 175.653 176.600 -0.035 0.000 0.936 430 K CA -0.799 55.464 56.287 -0.041 0.000 0.810 430 K CB 2.854 35.320 32.500 -0.057 0.000 1.143 430 K HN 0.416 nan 8.250 nan 0.000 0.427 431 L N 2.696 123.900 121.223 -0.031 0.000 2.280 431 L HA 0.323 4.663 4.340 -0.000 0.000 0.287 431 L C -1.025 175.823 176.870 -0.036 0.000 1.023 431 L CA -0.821 54.000 54.840 -0.031 0.000 0.819 431 L CB 1.148 43.185 42.059 -0.038 0.000 1.212 431 L HN 0.210 nan 8.230 nan 0.000 0.420 432 V N 5.929 125.823 119.914 -0.035 0.000 2.350 432 V HA 0.432 4.552 4.120 -0.000 0.000 0.276 432 V C 0.414 176.502 176.094 -0.010 0.000 1.028 432 V CA -0.641 61.645 62.300 -0.024 0.000 0.860 432 V CB 1.096 32.901 31.823 -0.030 0.000 0.990 432 V HN 0.771 nan 8.190 nan 0.000 0.453 433 R N 2.779 123.275 120.500 -0.006 0.000 2.637 433 R HA 0.250 4.590 4.340 -0.000 0.000 0.269 433 R C 1.120 177.438 176.300 0.029 0.000 1.089 433 R CA -0.749 55.351 56.100 -0.000 0.000 1.177 433 R CB 0.630 30.924 30.300 -0.010 0.000 1.091 433 R HN 0.533 nan 8.270 nan 0.000 0.540 434 L N 2.222 123.471 121.223 0.043 0.000 1.971 434 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 434 L C 1.994 178.909 176.870 0.074 0.000 1.072 434 L CA 2.001 56.887 54.840 0.077 0.000 0.758 434 L CB -0.328 41.788 42.059 0.095 0.000 0.889 434 L HN 0.493 nan 8.230 nan 0.000 0.433 435 K N -0.477 119.959 120.400 0.060 0.000 2.059 435 K HA -0.277 4.043 4.320 -0.000 0.000 0.212 435 K C 2.007 178.637 176.600 0.051 0.000 1.050 435 K CA 2.090 58.410 56.287 0.054 0.000 0.927 435 K CB -0.879 31.645 32.500 0.040 0.000 0.714 435 K HN 0.480 nan 8.250 nan 0.000 0.447 436 D N -0.034 120.394 120.400 0.047 0.000 2.149 436 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 436 D C 1.490 177.838 176.300 0.081 0.000 0.972 436 D CA 1.296 55.327 54.000 0.052 0.000 0.835 436 D CB 0.067 40.890 40.800 0.039 0.000 0.966 436 D HN 0.158 nan 8.370 nan 0.000 0.476 437 T N -0.451 114.159 114.554 0.092 0.000 2.746 437 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 437 T C 2.124 176.924 174.700 0.168 0.000 1.039 437 T CA 1.331 63.525 62.100 0.156 0.000 1.142 437 T CB -0.372 68.567 68.868 0.118 0.000 0.866 437 T HN -0.004 nan 8.240 nan 0.000 0.444 438 V N 1.951 121.892 119.914 0.045 0.000 2.261 438 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 438 V C 2.962 179.082 176.094 0.043 0.000 1.047 438 V CA 1.666 63.940 62.300 -0.045 0.000 1.015 438 V CB -1.332 30.449 31.823 -0.071 0.000 0.642 438 V HN 0.533 nan 8.190 nan 0.000 0.446 439 A N -0.407 122.445 122.820 0.054 0.000 2.015 439 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 439 A C 2.452 180.061 177.584 0.041 0.000 1.163 439 A CA 1.929 53.995 52.037 0.048 0.000 0.646 439 A CB -0.554 18.471 19.000 0.041 0.000 0.806 439 A HN 0.500 nan 8.150 nan 0.000 0.448 440 S N -0.860 114.883 115.700 0.073 0.000 2.355 440 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 440 S C 1.553 176.079 174.600 -0.123 0.000 1.031 440 S CA 1.420 59.619 58.200 -0.002 0.000 0.993 440 S CB -0.470 62.818 63.200 0.147 0.000 0.859 440 S HN 0.583 nan 8.310 nan 0.000 0.453 441 F N 1.796 121.729 119.950 -0.027 0.000 2.259 441 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 441 F C 2.290 178.038 175.800 -0.087 0.000 1.088 441 F CA 0.805 58.762 58.000 -0.071 0.000 1.358 441 F CB -0.197 38.786 39.000 -0.028 0.000 1.040 441 F HN 0.075 nan 8.300 nan 0.000 0.505 442 K N 0.743 121.208 120.400 0.107 0.000 2.026 442 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 442 K C 2.293 178.911 176.600 0.031 0.000 1.048 442 K CA 1.331 57.651 56.287 0.056 0.000 0.929 442 K CB -0.365 32.163 32.500 0.047 0.000 0.713 442 K HN 0.204 nan 8.250 nan 0.000 0.439 443 A N 0.868 123.694 122.820 0.011 0.000 1.908 443 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 443 A C 2.269 179.892 177.584 0.066 0.000 1.181 443 A CA 1.909 53.978 52.037 0.054 0.000 0.627 443 A CB -0.742 18.287 19.000 0.048 0.000 0.818 443 A HN 0.199 nan 8.150 nan 0.000 0.445 444 V N 0.250 120.105 119.914 -0.097 0.000 2.261 444 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 444 V C 1.754 177.828 176.094 -0.033 0.000 1.047 444 V CA 1.254 63.482 62.300 -0.120 0.000 1.015 444 V CB -1.039 30.562 31.823 -0.371 0.000 0.642 444 V HN 0.493 nan 8.190 nan 0.000 0.446 448 K N 0.427 120.865 120.400 0.062 0.000 2.487 448 K HA 0.112 4.432 4.320 -0.000 0.000 0.192 448 K C -0.285 176.161 176.600 -0.258 0.000 1.027 448 K CA 0.569 56.819 56.287 -0.062 0.000 1.054 448 K CB 0.252 32.730 32.500 -0.036 0.000 0.824 448 K HN 0.544 nan 8.250 nan 0.000 0.510 449 Y N -0.113 120.177 120.300 -0.016 0.000 2.517 449 Y HA 0.138 4.688 4.550 -0.000 0.000 0.330 449 Y C -0.296 175.632 175.900 0.046 0.000 0.917 449 Y CA -0.720 57.392 58.100 0.020 0.000 1.131 449 Y CB 0.607 39.092 38.460 0.042 0.000 1.175 449 Y HN -0.037 nan 8.280 nan 0.000 0.620 450 D N -0.813 119.642 120.400 0.091 0.000 2.369 450 D HA -0.044 4.595 4.640 -0.000 0.000 0.211 450 D C 1.609 177.946 176.300 0.061 0.000 1.077 450 D CA 0.457 54.498 54.000 0.069 0.000 0.842 450 D CB 0.189 41.005 40.800 0.025 0.000 0.947 450 D HN 0.393 nan 8.370 nan 0.000 0.509 451 N N 0.593 119.318 118.700 0.042 0.000 2.415 451 N HA -0.049 4.691 4.740 -0.000 0.000 0.176 451 N C 0.492 176.029 175.510 0.044 0.000 1.042 451 N CA 0.130 53.193 53.050 0.022 0.000 0.902 451 N CB 0.321 38.795 38.487 -0.021 0.000 0.986 451 N HN 0.143 nan 8.380 nan 0.000 0.447 452 I N 3.020 123.643 120.570 0.088 0.000 2.395 452 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 452 I C -1.898 174.290 176.117 0.118 0.000 1.023 452 I CA -2.092 59.246 61.300 0.063 0.000 1.350 452 I CB 1.058 39.066 38.000 0.014 0.000 1.409 452 I HN -0.098 nan 8.210 nan 0.000 0.507 453 P HA 0.006 nan 4.420 nan 0.000 0.267 453 P C 0.057 177.481 177.300 0.206 0.000 1.200 453 P CA 0.069 63.236 63.100 0.112 0.000 0.772 453 P CB 0.747 32.487 31.700 0.066 0.000 0.855 454 E N 0.666 121.034 120.200 0.279 0.000 2.110 454 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 454 E C 1.691 178.525 176.600 0.391 0.000 0.988 454 E CA 1.163 57.818 56.400 0.424 0.000 0.804 454 E CB -0.476 29.359 29.700 0.225 0.000 0.745 454 E HN 0.633 nan 8.360 nan 0.000 0.458 455 H N 0.003 119.163 119.070 0.149 0.000 2.560 455 H HA -0.001 4.555 4.556 -0.000 0.000 0.283 455 H C 1.570 176.955 175.328 0.095 0.000 1.028 455 H CA 0.986 57.098 56.048 0.107 0.000 1.221 455 H CB 0.145 29.927 29.762 0.034 0.000 1.363 455 H HN 0.160 nan 8.280 nan 0.000 0.594 456 A N -0.932 121.907 122.820 0.032 0.000 2.178 456 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 456 A C 1.278 178.712 177.584 -0.250 0.000 1.157 456 A CA 0.242 52.182 52.037 -0.162 0.000 0.780 456 A CB -0.391 18.421 19.000 -0.314 0.000 0.828 456 A HN 0.404 nan 8.150 nan 0.000 0.476 457 F N -2.273 117.731 119.950 0.090 0.000 2.530 457 F HA 0.180 4.707 4.527 -0.000 0.000 0.292 457 F C 0.864 176.747 175.800 0.139 0.000 1.109 457 F CA -0.316 57.790 58.000 0.175 0.000 1.450 457 F CB -0.327 38.762 39.000 0.149 0.000 1.114 457 F HN 0.285 nan 8.300 nan 0.000 0.560 458 Y N 2.220 122.570 120.300 0.084 0.000 2.544 458 Y HA 0.172 4.722 4.550 -0.000 0.000 0.330 458 Y C 0.679 176.530 175.900 -0.081 0.000 1.136 458 Y CA -0.965 57.111 58.100 -0.041 0.000 1.417 458 Y CB 0.130 38.471 38.460 -0.199 0.000 1.229 458 Y HN 0.047 nan 8.280 nan 0.000 0.532 459 M N 5.999 125.233 119.600 -0.610 0.000 2.350 459 M HA -0.169 4.311 4.480 -0.000 0.000 0.190 459 M C -1.304 174.849 176.300 -0.246 0.000 0.710 459 M CA 0.933 55.926 55.300 -0.511 0.000 0.495 459 M CB -2.509 29.732 32.600 -0.598 0.000 1.136 459 M HN 0.465 nan 8.290 nan 0.000 0.901 460 V N -2.809 116.978 119.914 -0.211 0.000 3.102 460 V HA 1.056 5.176 4.120 -0.000 0.000 0.312 460 V C 0.854 176.833 176.094 -0.191 0.000 1.135 460 V CA -0.167 62.047 62.300 -0.143 0.000 1.022 460 V CB 1.553 33.342 31.823 -0.056 0.000 1.056 460 V HN 0.463 nan 8.190 nan 0.000 0.436 461 G N 0.766 109.488 108.800 -0.131 0.000 2.830 461 G HA2 0.450 4.410 3.960 -0.000 0.000 0.172 461 G HA3 0.450 4.410 3.960 -0.000 0.000 0.172 461 G C 0.647 175.461 174.900 -0.144 0.000 1.782 461 G CA 0.228 45.250 45.100 -0.129 0.000 0.900 461 G HN 1.375 nan 8.290 nan 0.000 0.389 462 G N -1.161 107.602 108.800 -0.061 0.000 2.514 462 G HA2 0.307 4.267 3.960 -0.000 0.000 0.245 462 G HA3 0.307 4.267 3.960 -0.000 0.000 0.245 462 G C 0.868 175.833 174.900 0.109 0.000 1.488 462 G CA -0.030 45.067 45.100 -0.005 0.000 1.063 462 G HN 0.314 nan 8.290 nan 0.000 0.557 463 I N -0.499 120.148 120.570 0.128 0.000 2.852 463 I HA 0.056 4.226 4.170 -0.000 0.000 0.264 463 I C 2.339 178.459 176.117 0.006 0.000 1.179 463 I CA 0.936 62.291 61.300 0.093 0.000 1.480 463 I CB -0.399 37.578 38.000 -0.038 0.000 1.111 463 I HN 0.446 nan 8.210 nan 0.000 0.441 464 E N 1.102 121.312 120.200 0.016 0.000 2.110 464 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 464 E C 1.461 178.063 176.600 0.003 0.000 0.988 464 E CA 1.429 57.835 56.400 0.011 0.000 0.804 464 E CB -0.220 29.487 29.700 0.012 0.000 0.745 464 E HN 0.417 nan 8.360 nan 0.000 0.458 465 D N -0.494 119.908 120.400 0.003 0.000 2.310 465 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 465 D C 1.579 177.866 176.300 -0.023 0.000 0.965 465 D CA 0.421 54.415 54.000 -0.009 0.000 0.879 465 D CB 0.054 40.844 40.800 -0.017 0.000 0.921 465 D HN 0.061 nan 8.370 nan 0.000 0.510 466 V N 0.040 119.937 119.914 -0.029 0.000 2.323 466 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 466 V C 2.502 178.524 176.094 -0.120 0.000 1.041 466 V CA 0.861 63.091 62.300 -0.116 0.000 1.025 466 V CB -0.511 31.187 31.823 -0.208 0.000 0.656 466 V HN 0.090 nan 8.190 nan 0.000 0.451 467 V N 0.774 120.656 119.914 -0.053 0.000 2.407 467 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 467 V C 2.774 178.854 176.094 -0.023 0.000 1.055 467 V CA 1.962 64.253 62.300 -0.014 0.000 1.049 467 V CB -1.263 30.584 31.823 0.039 0.000 0.662 467 V HN 0.539 nan 8.190 nan 0.000 0.455 468 A N -0.274 122.534 122.820 -0.020 0.000 1.933 468 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 468 A C 2.365 179.937 177.584 -0.021 0.000 1.175 468 A CA 2.210 54.237 52.037 -0.016 0.000 0.628 468 A CB -0.423 18.570 19.000 -0.012 0.000 0.814 468 A HN 0.533 nan 8.150 nan 0.000 0.444 469 K N -0.617 119.762 120.400 -0.034 0.000 2.116 469 K HA 0.086 4.406 4.320 -0.000 0.000 0.203 469 K C 2.176 178.756 176.600 -0.033 0.000 1.052 469 K CA 0.879 57.150 56.287 -0.028 0.000 0.952 469 K CB -0.263 32.215 32.500 -0.036 0.000 0.729 469 K HN 0.355 nan 8.250 nan 0.000 0.446 470 A N 2.359 125.141 122.820 -0.062 0.000 1.851 470 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 470 A C 1.873 179.439 177.584 -0.030 0.000 1.195 470 A CA 2.015 54.016 52.037 -0.060 0.000 0.622 470 A CB -0.766 18.186 19.000 -0.080 0.000 0.831 470 A HN 0.638 nan 8.150 nan 0.000 0.444 471 E N -0.280 119.905 120.200 -0.024 0.000 2.338 471 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 471 E C 1.715 178.308 176.600 -0.011 0.000 1.007 471 E CA 1.328 57.719 56.400 -0.016 0.000 0.849 471 E CB -0.238 29.454 29.700 -0.014 0.000 0.774 471 E HN 0.642 nan 8.360 nan 0.000 0.506 472 K N 0.665 121.059 120.400 -0.010 0.000 2.487 472 K HA 0.043 4.363 4.320 -0.000 0.000 0.192 472 K C 0.147 176.746 176.600 -0.001 0.000 1.027 472 K CA -0.270 56.014 56.287 -0.004 0.000 1.054 472 K CB 0.123 32.623 32.500 -0.001 0.000 0.824 472 K HN 0.100 nan 8.250 nan 0.000 0.510 473 L N 1.358 122.579 121.223 -0.003 0.000 2.369 473 L HA 0.278 4.618 4.340 -0.000 0.000 0.279 473 L C -0.613 176.252 176.870 -0.008 0.000 1.108 473 L CA 0.247 55.085 54.840 -0.003 0.000 0.852 473 L CB 0.715 42.773 42.059 -0.002 0.000 1.169 473 L HN 0.159 nan 8.230 nan 0.000 0.452 474 A N 0.000 122.814 122.820 -0.010 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486