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 2wpd_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAAE AN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.685 174.700 -0.025 0.000 1.109 7 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 7 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 8 P HA 0.469 nan 4.420 nan 0.000 0.276 8 P C -0.221 177.060 177.300 -0.031 0.000 1.235 8 P CA -0.529 62.556 63.100 -0.024 0.000 0.772 8 P CB 0.673 32.368 31.700 -0.008 0.000 0.871 9 I N 2.747 123.278 120.570 -0.065 0.000 2.556 9 I HA 0.122 4.292 4.170 0.001 0.000 0.284 9 I C 1.071 177.168 176.117 -0.034 0.000 1.114 9 I CA 0.215 61.452 61.300 -0.105 0.000 1.418 9 I CB 0.556 38.409 38.000 -0.244 0.000 1.394 9 I HN 0.496 nan 8.210 nan 0.000 0.552 10 T N 2.146 116.731 114.554 0.053 0.000 2.907 10 T HA 0.855 5.206 4.350 0.001 0.000 0.292 10 T C -0.252 174.668 174.700 0.367 0.000 1.043 10 T CA -0.791 61.415 62.100 0.177 0.000 1.003 10 T CB 2.212 71.138 68.868 0.097 0.000 1.084 10 T HN 0.787 nan 8.240 nan 0.000 0.483 11 G N 0.690 109.685 108.800 0.325 0.000 2.788 11 G HA2 0.715 4.675 3.960 0.001 0.000 0.293 11 G HA3 0.715 4.675 3.960 0.001 0.000 0.293 11 G C -1.865 173.006 174.900 -0.050 0.000 1.392 11 G CA -1.188 43.960 45.100 0.080 0.000 0.810 11 G HN 0.803 nan 8.290 nan 0.000 0.508 12 K N -0.364 119.963 120.400 -0.121 0.000 2.426 12 K HA 0.593 4.913 4.320 0.001 0.000 0.251 12 K C -0.814 175.737 176.600 -0.081 0.000 0.941 12 K CA -0.781 55.473 56.287 -0.055 0.000 0.808 12 K CB 3.032 35.535 32.500 0.006 0.000 1.265 12 K HN 0.264 nan 8.250 nan 0.000 0.432 13 V N 1.949 121.828 119.914 -0.058 0.000 2.715 13 V HA 0.017 4.137 4.120 0.001 0.000 0.299 13 V C 1.296 177.366 176.094 -0.040 0.000 1.054 13 V CA 0.359 62.626 62.300 -0.056 0.000 1.077 13 V CB 1.072 32.871 31.823 -0.040 0.000 0.972 13 V HN 1.115 nan 8.190 nan 0.000 0.484 14 T N 0.192 114.720 114.554 -0.043 0.000 2.964 14 T HA 0.583 4.934 4.350 0.001 0.000 0.249 14 T C 0.332 175.008 174.700 -0.040 0.000 1.000 14 T CA 0.500 62.572 62.100 -0.046 0.000 0.992 14 T CB 0.553 69.381 68.868 -0.066 0.000 1.087 14 T HN 1.072 nan 8.240 nan 0.000 0.489 15 A N 0.347 123.146 122.820 -0.035 0.000 2.594 15 A HA 0.713 5.034 4.320 0.001 0.000 0.295 15 A C -1.624 175.945 177.584 -0.024 0.000 1.071 15 A CA -0.693 51.327 52.037 -0.028 0.000 0.685 15 A CB 1.971 20.955 19.000 -0.027 0.000 1.285 15 A HN 0.367 nan 8.150 nan 0.000 0.405 16 V N 2.665 122.567 119.914 -0.021 0.000 2.516 16 V HA 0.342 4.463 4.120 0.001 0.000 0.271 16 V C -0.982 175.103 176.094 -0.016 0.000 0.992 16 V CA 0.131 62.420 62.300 -0.018 0.000 0.857 16 V CB 0.727 32.540 31.823 -0.016 0.000 1.047 16 V HN 0.677 nan 8.190 nan 0.000 0.455 17 I N 4.242 124.802 120.570 -0.016 0.000 2.390 17 I HA 0.664 4.834 4.170 0.001 0.000 0.283 17 I C 1.216 177.324 176.117 -0.015 0.000 1.016 17 I CA 0.056 61.347 61.300 -0.015 0.000 1.151 17 I CB 1.280 39.271 38.000 -0.015 0.000 1.293 17 I HN 0.739 nan 8.210 nan 0.000 0.458 18 G N 4.976 113.767 108.800 -0.014 0.000 2.611 18 G HA2 -0.354 3.606 3.960 0.001 0.000 0.301 18 G HA3 -0.354 3.606 3.960 0.001 0.000 0.301 18 G C 0.767 175.659 174.900 -0.013 0.000 1.233 18 G CA 0.339 45.431 45.100 -0.014 0.000 0.993 18 G HN 0.883 nan 8.290 nan 0.000 0.553 19 A N -0.480 122.331 122.820 -0.015 0.000 2.310 19 A HA 0.543 4.864 4.320 0.001 0.000 0.230 19 A C 0.545 178.121 177.584 -0.014 0.000 1.294 19 A CA 0.705 52.733 52.037 -0.013 0.000 0.898 19 A CB -0.280 18.710 19.000 -0.016 0.000 0.917 19 A HN 0.676 nan 8.150 nan 0.000 0.491 20 I N 0.843 121.405 120.570 -0.014 0.000 2.439 20 I HA 0.326 4.496 4.170 0.001 0.000 0.283 20 I C -0.810 175.298 176.117 -0.015 0.000 1.023 20 I CA -0.778 60.513 61.300 -0.015 0.000 1.100 20 I CB 1.390 39.380 38.000 -0.017 0.000 1.238 20 I HN -0.142 nan 8.210 nan 0.000 0.445 21 V N 5.146 125.051 119.914 -0.014 0.000 2.495 21 V HA 0.430 4.550 4.120 0.001 0.000 0.298 21 V C -0.310 175.771 176.094 -0.022 0.000 1.031 21 V CA -0.789 61.500 62.300 -0.018 0.000 0.871 21 V CB 2.388 34.201 31.823 -0.017 0.000 0.988 21 V HN 0.523 nan 8.190 nan 0.000 0.432 22 D N 3.497 123.881 120.400 -0.028 0.000 2.274 22 D HA 0.447 5.087 4.640 0.001 0.000 0.239 22 D C -0.483 175.783 176.300 -0.057 0.000 1.104 22 D CA 0.019 54.001 54.000 -0.030 0.000 0.840 22 D CB 2.276 43.062 40.800 -0.023 0.000 1.100 22 D HN 0.236 nan 8.370 nan 0.000 0.477 23 V N 2.530 122.390 119.914 -0.090 0.000 2.581 23 V HA 0.266 4.386 4.120 0.001 0.000 0.303 23 V C -0.324 175.602 176.094 -0.279 0.000 1.041 23 V CA -0.691 61.478 62.300 -0.218 0.000 0.907 23 V CB 1.896 33.529 31.823 -0.318 0.000 0.994 23 V HN 0.538 nan 8.190 nan 0.000 0.442 24 H N 3.225 122.017 119.070 -0.464 0.000 2.538 24 H HA 0.687 5.243 4.556 0.000 0.000 0.353 24 H C -1.723 173.305 175.328 -0.500 0.000 1.109 24 H CA -0.794 55.030 56.048 -0.373 0.000 1.192 24 H CB 1.405 31.070 29.762 -0.162 0.000 1.555 24 H HN 0.417 nan 8.280 nan 0.000 0.518 25 F N 3.072 122.615 119.950 -0.679 0.000 2.467 25 F HA 0.262 4.789 4.527 0.000 0.000 0.336 25 F C 1.341 176.809 175.800 -0.554 0.000 1.123 25 F CA -0.631 57.101 58.000 -0.446 0.000 0.964 25 F CB 1.911 40.777 39.000 -0.222 0.000 1.136 25 F HN 0.703 nan 8.300 nan 0.000 0.447 26 E N 1.285 121.428 120.200 -0.095 0.000 2.072 26 E HA -0.124 4.226 4.350 0.001 0.000 0.191 26 E C 0.205 176.802 176.600 -0.006 0.000 0.985 26 E CA 0.737 57.119 56.400 -0.029 0.000 0.801 26 E CB 0.059 29.780 29.700 0.035 0.000 0.750 26 E HN 0.645 nan 8.360 nan 0.000 0.452 27 Q N 0.654 120.458 119.800 0.007 0.000 2.479 27 Q HA 0.006 4.347 4.340 0.001 0.000 0.267 27 Q C 1.069 177.052 176.000 -0.028 0.000 1.071 27 Q CA 0.320 56.113 55.803 -0.016 0.000 0.935 27 Q CB 0.699 29.412 28.738 -0.042 0.000 1.295 27 Q HN 0.146 nan 8.270 nan 0.000 0.476 28 S N -0.233 115.448 115.700 -0.032 0.000 2.603 28 S HA 0.010 4.480 4.470 0.001 0.000 0.220 28 S C -0.127 174.438 174.600 -0.058 0.000 0.967 28 S CA 0.065 58.245 58.200 -0.034 0.000 0.920 28 S CB 0.197 63.383 63.200 -0.024 0.000 0.773 28 S HN 0.450 nan 8.310 nan 0.000 0.529 29 E N 1.432 121.581 120.200 -0.084 0.000 2.115 29 E HA 0.593 4.943 4.350 0.001 0.000 0.282 29 E C -1.175 175.318 176.600 -0.178 0.000 0.987 29 E CA -0.285 56.045 56.400 -0.117 0.000 0.797 29 E CB 0.963 30.590 29.700 -0.121 0.000 1.086 29 E HN 0.200 nan 8.360 nan 0.000 0.397 30 L N 5.009 126.141 121.223 -0.152 0.000 2.325 30 L HA 0.486 4.827 4.340 0.001 0.000 0.278 30 L C -1.997 174.802 176.870 -0.117 0.000 1.023 30 L CA -1.970 52.780 54.840 -0.151 0.000 0.811 30 L CB 0.689 42.694 42.059 -0.091 0.000 1.249 30 L HN 0.445 nan 8.230 nan 0.000 0.431 31 P HA 0.276 nan 4.420 nan 0.000 0.275 31 P C -0.516 176.863 177.300 0.132 0.000 1.227 31 P CA -0.442 62.640 63.100 -0.031 0.000 0.781 31 P CB 1.052 32.718 31.700 -0.057 0.000 0.906 32 A N 3.744 126.617 122.820 0.089 0.000 2.275 32 A HA 0.247 4.568 4.320 0.001 0.000 0.276 32 A C 0.764 178.373 177.584 0.042 0.000 1.232 32 A CA -0.350 51.764 52.037 0.129 0.000 0.814 32 A CB -0.393 18.638 19.000 0.053 0.000 1.145 32 A HN 0.568 nan 8.150 nan 0.000 0.508 33 I N -0.948 119.598 120.570 -0.039 0.000 2.764 33 I HA 0.224 4.395 4.170 0.001 0.000 0.294 33 I C 0.416 176.459 176.117 -0.123 0.000 1.045 33 I CA -0.061 61.157 61.300 -0.137 0.000 1.340 33 I CB 0.553 38.448 38.000 -0.175 0.000 1.436 33 I HN 0.658 nan 8.210 nan 0.000 0.567 34 L N 1.222 122.354 121.223 -0.153 0.000 4.759 34 L HA -0.230 4.110 4.340 0.001 0.000 0.419 34 L C -0.070 176.763 176.870 -0.061 0.000 1.093 34 L CA 0.149 54.861 54.840 -0.215 0.000 1.037 34 L CB -1.899 39.870 42.059 -0.484 0.000 2.095 34 L HN 0.721 nan 8.230 nan 0.000 0.739 35 N N 0.397 119.085 118.700 -0.021 0.000 2.463 35 N HA 0.668 5.408 4.740 0.001 0.000 0.270 35 N C 0.295 175.829 175.510 0.041 0.000 1.205 35 N CA 0.515 53.576 53.050 0.019 0.000 0.974 35 N CB 1.268 39.764 38.487 0.016 0.000 1.197 35 N HN 0.253 nan 8.380 nan 0.000 0.504 36 A N 0.812 123.659 122.820 0.044 0.000 2.269 36 A HA 0.812 5.132 4.320 0.001 0.000 0.319 36 A C -0.460 177.156 177.584 0.054 0.000 1.110 36 A CA -0.403 51.662 52.037 0.047 0.000 0.847 36 A CB 0.574 19.597 19.000 0.038 0.000 1.161 36 A HN 0.581 nan 8.150 nan 0.000 0.497 37 L N -0.105 121.152 121.223 0.057 0.000 2.469 37 L HA 0.537 4.878 4.340 0.001 0.000 0.256 37 L C -0.715 176.186 176.870 0.051 0.000 1.006 37 L CA -0.684 54.199 54.840 0.071 0.000 0.832 37 L CB 2.462 44.582 42.059 0.102 0.000 1.421 37 L HN 0.982 nan 8.230 nan 0.000 0.410 38 E N 1.603 121.833 120.200 0.051 0.000 2.293 38 E HA 0.750 5.101 4.350 0.001 0.000 0.270 38 E C -1.506 175.115 176.600 0.035 0.000 0.879 38 E CA -0.816 55.605 56.400 0.035 0.000 0.756 38 E CB 3.050 32.766 29.700 0.026 0.000 1.208 38 E HN 0.430 nan 8.360 nan 0.000 0.428 39 I N 1.837 122.422 120.570 0.024 0.000 2.498 39 I HA 0.287 4.457 4.170 0.001 0.000 0.290 39 I C -0.442 175.683 176.117 0.014 0.000 1.032 39 I CA -1.180 60.132 61.300 0.020 0.000 1.073 39 I CB 2.123 40.131 38.000 0.014 0.000 1.251 39 I HN 0.364 nan 8.210 nan 0.000 0.426 40 K N 4.544 124.952 120.400 0.014 0.000 2.339 40 K HA 0.389 4.709 4.320 0.001 0.000 0.286 40 K C -0.114 176.491 176.600 0.007 0.000 1.050 40 K CA -0.187 56.106 56.287 0.010 0.000 0.956 40 K CB 0.778 33.285 32.500 0.011 0.000 0.990 40 K HN 0.713 nan 8.250 nan 0.000 0.475 41 T N -1.148 113.410 114.554 0.006 0.000 2.896 41 T HA 0.339 4.689 4.350 0.001 0.000 0.297 41 T C -1.883 172.819 174.700 0.003 0.000 1.108 41 T CA -1.737 60.365 62.100 0.004 0.000 1.004 41 T CB 1.708 70.578 68.868 0.003 0.000 1.159 41 T HN 0.258 nan 8.240 nan 0.000 0.499 42 P HA -0.092 nan 4.420 nan 0.000 0.218 42 P C 1.180 178.480 177.300 0.001 0.000 1.149 42 P CA 1.074 64.175 63.100 0.001 0.000 0.817 42 P CB 0.203 31.903 31.700 0.001 0.000 0.785 43 Q N -0.566 119.234 119.800 0.001 0.000 2.187 43 Q HA 0.142 4.482 4.340 0.001 0.000 0.199 43 Q C 1.622 177.622 176.000 0.001 0.000 0.957 43 Q CA 1.545 57.348 55.803 -0.000 0.000 0.857 43 Q CB -0.073 28.665 28.738 -0.001 0.000 0.929 43 Q HN 0.378 nan 8.270 nan 0.000 0.453 44 G N 0.599 109.400 108.800 0.002 0.000 2.563 44 G HA2 0.120 4.080 3.960 0.001 0.000 0.068 44 G HA3 0.120 4.080 3.960 0.001 0.000 0.068 44 G C -1.443 173.459 174.900 0.004 0.000 1.001 44 G CA -0.240 44.861 45.100 0.002 0.000 1.188 44 G HN 0.125 nan 8.290 nan 0.000 0.512 45 K N -0.144 120.259 120.400 0.005 0.000 2.513 45 K HA 0.755 5.075 4.320 0.001 0.000 0.251 45 K C -1.490 175.115 176.600 0.008 0.000 0.939 45 K CA -0.828 55.463 56.287 0.007 0.000 0.793 45 K CB 2.766 35.271 32.500 0.008 0.000 1.241 45 K HN 0.607 nan 8.250 nan 0.000 0.431 46 L N 3.876 125.105 121.223 0.009 0.000 2.264 46 L HA 0.398 4.739 4.340 0.001 0.000 0.289 46 L C -1.067 175.811 176.870 0.015 0.000 1.044 46 L CA -0.999 53.847 54.840 0.010 0.000 0.807 46 L CB 1.389 43.452 42.059 0.008 0.000 1.192 46 L HN 0.560 nan 8.230 nan 0.000 0.425 47 V N 6.421 126.344 119.914 0.015 0.000 2.439 47 V HA 0.379 4.499 4.120 0.001 0.000 0.282 47 V C 0.299 176.407 176.094 0.023 0.000 1.039 47 V CA -0.396 61.916 62.300 0.020 0.000 0.913 47 V CB 1.434 33.267 31.823 0.018 0.000 0.983 47 V HN 0.644 nan 8.190 nan 0.000 0.460 48 L N 3.739 124.981 121.223 0.031 0.000 2.313 48 L HA 0.704 5.045 4.340 0.001 0.000 0.268 48 L C -0.140 176.754 176.870 0.041 0.000 1.010 48 L CA -0.519 54.340 54.840 0.032 0.000 0.814 48 L CB 2.019 44.098 42.059 0.034 0.000 1.304 48 L HN 0.660 nan 8.230 nan 0.000 0.441 49 E N 0.680 120.902 120.200 0.037 0.000 2.260 49 E HA 0.345 4.695 4.350 0.001 0.000 0.266 49 E C -1.402 175.209 176.600 0.018 0.000 0.887 49 E CA -0.680 55.744 56.400 0.041 0.000 0.777 49 E CB 2.188 31.924 29.700 0.060 0.000 1.205 49 E HN 0.278 nan 8.360 nan 0.000 0.414 50 V N 3.502 123.422 119.914 0.009 0.000 2.694 50 V HA 0.102 4.222 4.120 0.001 0.000 0.306 50 V C 0.873 176.924 176.094 -0.071 0.000 1.054 50 V CA 1.318 63.601 62.300 -0.027 0.000 1.161 50 V CB 0.983 32.781 31.823 -0.042 0.000 0.916 50 V HN 0.914 nan 8.190 nan 0.000 0.490 51 A N 3.812 126.579 122.820 -0.089 0.000 1.964 51 A HA 0.369 4.690 4.320 0.001 0.000 0.198 51 A C 0.479 177.982 177.584 -0.134 0.000 1.599 51 A CA 0.465 52.446 52.037 -0.093 0.000 0.968 51 A CB 0.427 19.394 19.000 -0.055 0.000 1.029 51 A HN 0.900 nan 8.150 nan 0.000 0.508 52 Q N -0.719 118.987 119.800 -0.157 0.000 2.527 52 Q HA 0.366 4.706 4.340 0.001 0.000 0.280 52 Q C -1.900 174.003 176.000 -0.161 0.000 0.977 52 Q CA -0.855 54.844 55.803 -0.173 0.000 0.837 52 Q CB 0.712 29.409 28.738 -0.069 0.000 1.454 52 Q HN 0.309 nan 8.270 nan 0.000 0.387 53 H N 2.777 121.860 119.070 0.022 0.000 2.820 53 H HA 0.243 4.800 4.556 0.000 0.000 0.278 53 H C 0.708 176.053 175.328 0.028 0.000 1.142 53 H CA -0.134 55.934 56.048 0.033 0.000 1.346 53 H CB 0.675 30.458 29.762 0.034 0.000 1.438 53 H HN 0.623 nan 8.280 nan 0.000 0.473 54 L N 2.164 123.468 121.223 0.136 0.000 2.265 54 L HA -0.012 4.329 4.340 0.001 0.000 0.215 54 L C 1.259 178.176 176.870 0.079 0.000 1.117 54 L CA 0.970 55.858 54.840 0.081 0.000 0.782 54 L CB -0.054 42.037 42.059 0.054 0.000 0.914 54 L HN 0.812 nan 8.230 nan 0.000 0.441 55 G N -0.434 108.427 108.800 0.101 0.000 2.541 55 G HA2 -0.130 3.830 3.960 0.001 0.000 0.686 55 G HA3 -0.130 3.830 3.960 0.001 0.000 0.686 55 G C -0.147 174.798 174.900 0.075 0.000 1.286 55 G CA -0.472 44.671 45.100 0.070 0.000 0.894 55 G HN 0.264 nan 8.290 nan 0.000 0.575 56 E N 0.063 120.301 120.200 0.063 0.000 2.320 56 E HA -0.239 4.111 4.350 0.001 0.000 0.234 56 E C 0.720 177.425 176.600 0.176 0.000 1.183 56 E CA 0.589 57.038 56.400 0.082 0.000 0.713 56 E CB -1.165 28.560 29.700 0.042 0.000 1.226 56 E HN 1.044 nan 8.360 nan 0.000 0.382 57 N N -1.250 117.539 118.700 0.148 0.000 2.696 57 N HA -0.170 4.570 4.740 0.001 0.000 0.249 57 N C -0.615 175.063 175.510 0.280 0.000 1.090 57 N CA 1.972 55.119 53.050 0.160 0.000 0.716 57 N CB -1.047 37.517 38.487 0.129 0.000 1.020 57 N HN 0.305 nan 8.380 nan 0.000 0.548 58 T N -0.242 114.469 114.554 0.261 0.000 2.856 58 T HA 0.672 5.023 4.350 0.001 0.000 0.283 58 T C 0.461 175.266 174.700 0.175 0.000 1.008 58 T CA -0.676 61.562 62.100 0.230 0.000 0.997 58 T CB 2.749 71.703 68.868 0.144 0.000 0.992 58 T HN 0.121 nan 8.240 nan 0.000 0.454 59 V N 0.665 120.658 119.914 0.131 0.000 3.001 59 V HA 0.773 4.893 4.120 0.001 0.000 0.314 59 V C -0.601 175.523 176.094 0.049 0.000 1.099 59 V CA -1.436 60.951 62.300 0.144 0.000 0.989 59 V CB 2.058 34.016 31.823 0.225 0.000 1.040 59 V HN 0.845 nan 8.190 nan 0.000 0.434 60 R N 1.408 121.919 120.500 0.020 0.000 2.387 60 R HA 0.766 5.106 4.340 0.001 0.000 0.314 60 R C -0.429 175.862 176.300 -0.015 0.000 0.958 60 R CA 0.230 56.328 56.100 -0.004 0.000 0.846 60 R CB 1.733 32.027 30.300 -0.010 0.000 1.147 60 R HN 1.178 nan 8.270 nan 0.000 0.447 61 T N 1.048 115.596 114.554 -0.010 0.000 2.901 61 T HA 0.546 4.896 4.350 0.001 0.000 0.293 61 T C -0.059 174.637 174.700 -0.006 0.000 1.084 61 T CA -0.842 61.255 62.100 -0.005 0.000 1.008 61 T CB 1.383 70.257 68.868 0.010 0.000 1.170 61 T HN 0.419 nan 8.240 nan 0.000 0.509 62 I N 1.646 122.216 120.570 -0.000 0.000 2.362 62 I HA 0.550 4.721 4.170 0.001 0.000 0.289 62 I C 0.846 176.967 176.117 0.006 0.000 0.994 62 I CA -1.228 60.072 61.300 -0.001 0.000 1.158 62 I CB 1.419 39.418 38.000 -0.001 0.000 1.315 62 I HN 0.989 nan 8.210 nan 0.000 0.451 63 A N 5.443 128.264 122.820 0.001 0.000 2.520 63 A HA 0.129 4.449 4.320 0.001 0.000 0.235 63 A C 0.666 178.254 177.584 0.007 0.000 1.065 63 A CA 0.087 52.126 52.037 0.004 0.000 0.764 63 A CB 0.308 19.307 19.000 -0.001 0.000 1.002 63 A HN 0.826 nan 8.150 nan 0.000 0.502 64 M N 0.032 119.638 119.600 0.010 0.000 2.414 64 M HA 0.246 4.727 4.480 0.001 0.000 0.251 64 M C 0.028 176.333 176.300 0.008 0.000 1.116 64 M CA 0.791 56.098 55.300 0.012 0.000 1.056 64 M CB -0.145 32.465 32.600 0.015 0.000 1.388 64 M HN 0.902 nan 8.290 nan 0.000 0.487 65 D N -1.782 118.622 120.400 0.005 0.000 2.812 65 D HA 0.537 5.177 4.640 0.001 0.000 0.318 65 D C -0.405 175.895 176.300 -0.000 0.000 1.234 65 D CA -0.199 53.803 54.000 0.003 0.000 0.989 65 D CB 0.899 41.701 40.800 0.004 0.000 1.442 65 D HN 0.081 nan 8.370 nan 0.000 0.537 66 G N -0.968 107.831 108.800 -0.001 0.000 2.353 66 G HA2 0.317 4.277 3.960 0.001 0.000 0.239 66 G HA3 0.317 4.277 3.960 0.001 0.000 0.239 66 G C 0.773 175.671 174.900 -0.003 0.000 1.295 66 G CA 0.555 45.653 45.100 -0.003 0.000 0.884 66 G HN 0.465 nan 8.290 nan 0.000 0.537 67 T N -0.734 113.817 114.554 -0.005 0.000 3.145 67 T HA 0.207 4.557 4.350 0.001 0.000 0.255 67 T C 0.364 175.060 174.700 -0.006 0.000 1.039 67 T CA -0.322 61.775 62.100 -0.005 0.000 0.928 67 T CB 0.111 68.975 68.868 -0.007 0.000 1.029 67 T HN 0.409 nan 8.240 nan 0.000 0.554 68 E N 1.316 121.512 120.200 -0.005 0.000 2.376 68 E HA 0.480 4.830 4.350 0.001 0.000 0.266 68 E C 1.417 178.014 176.600 -0.005 0.000 1.009 68 E CA 1.095 57.492 56.400 -0.005 0.000 0.902 68 E CB 0.134 29.831 29.700 -0.005 0.000 0.972 68 E HN 0.397 nan 8.360 nan 0.000 0.439 69 G N 2.541 111.338 108.800 -0.005 0.000 2.258 69 G HA2 -0.283 3.677 3.960 0.001 0.000 0.233 69 G HA3 -0.283 3.677 3.960 0.001 0.000 0.233 69 G C 0.177 175.074 174.900 -0.005 0.000 1.006 69 G CA -0.242 44.856 45.100 -0.004 0.000 0.620 69 G HN 0.424 nan 8.290 nan 0.000 0.511 70 L N 1.592 122.811 121.223 -0.006 0.000 2.559 70 L HA 0.338 4.678 4.340 0.001 0.000 0.274 70 L C 0.619 177.484 176.870 -0.008 0.000 1.205 70 L CA 0.053 54.889 54.840 -0.007 0.000 0.907 70 L CB 0.799 42.853 42.059 -0.008 0.000 1.153 70 L HN 0.041 nan 8.230 nan 0.000 0.490 71 V N 4.571 124.480 119.914 -0.008 0.000 2.483 71 V HA 0.345 4.465 4.120 0.001 0.000 0.295 71 V C 0.428 176.516 176.094 -0.011 0.000 1.035 71 V CA -0.940 61.354 62.300 -0.009 0.000 0.896 71 V CB 1.675 33.495 31.823 -0.006 0.000 0.986 71 V HN 0.683 nan 8.190 nan 0.000 0.447 72 R N 2.732 123.224 120.500 -0.013 0.000 2.538 72 R HA 0.341 4.682 4.340 0.001 0.000 0.282 72 R C 1.276 177.567 176.300 -0.015 0.000 1.009 72 R CA 0.920 57.010 56.100 -0.017 0.000 1.063 72 R CB 0.018 30.306 30.300 -0.019 0.000 0.945 72 R HN 1.215 nan 8.270 nan 0.000 0.414 73 G N 1.723 110.513 108.800 -0.017 0.000 2.175 73 G HA2 -0.311 3.649 3.960 0.001 0.000 0.244 73 G HA3 -0.311 3.649 3.960 0.001 0.000 0.244 73 G C 0.132 175.028 174.900 -0.006 0.000 0.982 73 G CA 0.180 45.274 45.100 -0.010 0.000 0.641 73 G HN 0.661 nan 8.290 nan 0.000 0.527 74 E N 0.688 120.882 120.200 -0.009 0.000 2.398 74 E HA 0.352 4.702 4.350 0.001 0.000 0.263 74 E C 0.664 177.262 176.600 -0.003 0.000 1.046 74 E CA -0.430 55.967 56.400 -0.004 0.000 0.908 74 E CB 0.354 30.051 29.700 -0.005 0.000 0.963 74 E HN 0.311 nan 8.360 nan 0.000 0.431 75 K N 2.527 122.932 120.400 0.007 0.000 2.350 75 K HA 0.178 4.499 4.320 0.001 0.000 0.279 75 K C -1.337 175.277 176.600 0.024 0.000 1.027 75 K CA -0.382 55.916 56.287 0.018 0.000 0.969 75 K CB 0.744 33.258 32.500 0.024 0.000 0.954 75 K HN 0.249 nan 8.250 nan 0.000 0.474 76 V N 5.718 125.657 119.914 0.040 0.000 2.531 76 V HA 0.268 4.388 4.120 0.001 0.000 0.301 76 V C -0.740 175.433 176.094 0.131 0.000 1.034 76 V CA -1.058 61.280 62.300 0.064 0.000 0.865 76 V CB 1.379 33.220 31.823 0.030 0.000 0.995 76 V HN 0.680 nan 8.190 nan 0.000 0.424 77 L N 3.821 125.105 121.223 0.101 0.000 2.325 77 L HA 0.642 4.983 4.340 0.001 0.000 0.279 77 L C -0.209 176.720 176.870 0.098 0.000 1.054 77 L CA 0.279 55.174 54.840 0.092 0.000 0.804 77 L CB 1.487 43.576 42.059 0.050 0.000 1.200 77 L HN 0.780 nan 8.230 nan 0.000 0.436 78 D N 0.943 121.383 120.400 0.067 0.000 2.225 78 D HA 0.276 4.916 4.640 0.001 0.000 0.249 78 D C 0.909 177.213 176.300 0.006 0.000 1.052 78 D CA 0.376 54.393 54.000 0.028 0.000 0.909 78 D CB 1.552 42.304 40.800 -0.080 0.000 1.186 78 D HN 0.740 nan 8.370 nan 0.000 0.431 79 T N 0.295 114.854 114.554 0.009 0.000 2.939 79 T HA 0.261 4.611 4.350 0.001 0.000 0.254 79 T C 1.609 176.302 174.700 -0.012 0.000 1.041 79 T CA 0.685 62.787 62.100 0.002 0.000 1.142 79 T CB -0.148 68.726 68.868 0.011 0.000 0.874 79 T HN 0.796 nan 8.240 nan 0.000 0.452 80 G N 0.370 109.158 108.800 -0.018 0.000 2.179 80 G HA2 0.222 4.182 3.960 0.001 0.000 0.220 80 G HA3 0.222 4.182 3.960 0.001 0.000 0.220 80 G C 0.339 175.230 174.900 -0.015 0.000 0.990 80 G CA -0.297 44.787 45.100 -0.027 0.000 0.646 80 G HN 1.344 nan 8.290 nan 0.000 0.517 81 G N -0.739 108.058 108.800 -0.004 0.000 2.703 81 G HA2 0.699 4.659 3.960 0.001 0.000 0.294 81 G HA3 0.699 4.659 3.960 0.001 0.000 0.294 81 G C -3.235 171.678 174.900 0.022 0.000 1.451 81 G CA -0.612 44.491 45.100 0.005 0.000 0.869 81 G HN 0.165 nan 8.290 nan 0.000 0.516 82 P HA 0.154 nan 4.420 nan 0.000 0.267 82 P C 0.568 177.910 177.300 0.070 0.000 1.200 82 P CA -0.201 62.951 63.100 0.087 0.000 0.772 82 P CB 0.564 32.351 31.700 0.145 0.000 0.855 83 I N 1.285 121.903 120.570 0.080 0.000 3.085 83 I HA -0.126 4.045 4.170 0.001 0.000 0.302 83 I C 1.009 177.121 176.117 -0.009 0.000 1.234 83 I CA 0.917 62.233 61.300 0.028 0.000 1.396 83 I CB -0.635 37.378 38.000 0.021 0.000 1.385 83 I HN 0.385 nan 8.210 nan 0.000 0.533 84 S N 5.920 121.607 115.700 -0.022 0.000 2.638 84 S HA 0.837 5.307 4.470 0.001 0.000 0.298 84 S C -0.536 174.026 174.600 -0.064 0.000 1.111 84 S CA -0.815 57.356 58.200 -0.048 0.000 1.027 84 S CB 2.545 65.718 63.200 -0.045 0.000 1.064 84 S HN 0.313 nan 8.310 nan 0.000 0.525 85 V N 1.685 121.545 119.914 -0.090 0.000 2.841 85 V HA 0.497 4.617 4.120 0.001 0.000 0.310 85 V C -2.725 173.288 176.094 -0.135 0.000 1.090 85 V CA -2.205 60.037 62.300 -0.097 0.000 0.930 85 V CB 1.926 33.693 31.823 -0.095 0.000 1.014 85 V HN 0.775 nan 8.190 nan 0.000 0.425 86 P HA 0.147 nan 4.420 nan 0.000 0.264 86 P C -0.790 176.366 177.300 -0.241 0.000 1.183 86 P CA 0.352 63.353 63.100 -0.165 0.000 0.763 86 P CB 0.445 32.078 31.700 -0.112 0.000 0.807 87 V N 0.631 120.311 119.914 -0.391 0.000 2.823 87 V HA 1.028 5.148 4.120 0.001 0.000 0.312 87 V C 0.009 175.693 176.094 -0.684 0.000 1.072 87 V CA -0.165 61.752 62.300 -0.638 0.000 0.937 87 V CB 1.515 32.712 31.823 -1.043 0.000 1.013 87 V HN 0.924 nan 8.190 nan 0.000 0.430 88 G N 3.266 111.766 108.800 -0.501 0.000 2.353 88 G HA2 0.013 3.973 3.960 0.001 0.000 0.424 88 G HA3 0.013 3.973 3.960 0.001 0.000 0.424 88 G C -0.170 174.804 174.900 0.124 0.000 1.320 88 G CA -0.284 44.774 45.100 -0.071 0.000 0.995 88 G HN 0.877 nan 8.290 nan 0.000 0.580 89 R N -0.196 120.417 120.500 0.189 0.000 2.293 89 R HA -0.052 4.288 4.340 0.001 0.000 0.219 89 R C 1.976 178.316 176.300 0.067 0.000 1.091 89 R CA 1.402 57.572 56.100 0.116 0.000 1.004 89 R CB 0.037 30.382 30.300 0.074 0.000 0.865 89 R HN 0.508 nan 8.270 nan 0.000 0.469 90 E N 0.581 120.811 120.200 0.050 0.000 2.347 90 E HA -0.102 4.249 4.350 0.001 0.000 0.196 90 E C 1.647 178.262 176.600 0.024 0.000 1.008 90 E CA 1.402 57.818 56.400 0.026 0.000 0.852 90 E CB 0.065 29.767 29.700 0.003 0.000 0.783 90 E HN 0.348 nan 8.360 nan 0.000 0.505 91 T N -1.852 112.723 114.554 0.035 0.000 3.014 91 T HA 0.060 4.411 4.350 0.001 0.000 0.263 91 T C 0.987 175.720 174.700 0.054 0.000 1.078 91 T CA -0.080 62.041 62.100 0.035 0.000 1.135 91 T CB -0.293 68.595 68.868 0.033 0.000 0.895 91 T HN 0.027 nan 8.240 nan 0.000 0.480 92 L N 1.946 123.203 121.223 0.058 0.000 2.525 92 L HA 0.378 4.718 4.340 0.001 0.000 0.278 92 L C 1.686 178.591 176.870 0.058 0.000 1.218 92 L CA 0.882 55.746 54.840 0.041 0.000 0.878 92 L CB -0.144 41.914 42.059 -0.001 0.000 1.127 92 L HN 0.600 nan 8.230 nan 0.000 0.492 93 G N 1.957 110.802 108.800 0.075 0.000 2.153 93 G HA2 -0.230 3.730 3.960 0.001 0.000 0.252 93 G HA3 -0.230 3.730 3.960 0.001 0.000 0.252 93 G C 0.086 175.059 174.900 0.121 0.000 0.994 93 G CA -0.214 44.945 45.100 0.097 0.000 0.698 93 G HN 0.485 nan 8.290 nan 0.000 0.521 94 R N -0.595 119.964 120.500 0.098 0.000 2.686 94 R HA 0.590 4.930 4.340 0.001 0.000 0.283 94 R C -0.041 176.293 176.300 0.057 0.000 0.978 94 R CA -1.187 54.961 56.100 0.079 0.000 0.897 94 R CB 1.178 31.506 30.300 0.046 0.000 1.192 94 R HN 0.219 nan 8.270 nan 0.000 0.457 95 I N 4.393 124.986 120.570 0.037 0.000 2.291 95 I HA 0.325 4.495 4.170 0.001 0.000 0.290 95 I C 0.401 176.525 176.117 0.012 0.000 1.050 95 I CA -0.272 61.041 61.300 0.020 0.000 1.245 95 I CB 0.508 38.524 38.000 0.027 0.000 1.405 95 I HN 0.277 nan 8.210 nan 0.000 0.478 96 I N 5.379 125.941 120.570 -0.012 0.000 2.440 96 I HA 0.223 4.394 4.170 0.001 0.000 0.294 96 I C 0.302 176.421 176.117 0.004 0.000 0.995 96 I CA -0.475 60.818 61.300 -0.012 0.000 1.306 96 I CB 1.302 39.283 38.000 -0.032 0.000 1.407 96 I HN 0.545 nan 8.210 nan 0.000 0.501 97 N N 2.980 121.687 118.700 0.011 0.000 2.463 97 N HA 0.176 4.917 4.740 0.001 0.000 0.270 97 N C 0.799 176.315 175.510 0.009 0.000 1.205 97 N CA -0.450 52.616 53.050 0.026 0.000 0.974 97 N CB 1.469 39.969 38.487 0.022 0.000 1.197 97 N HN 0.371 nan 8.380 nan 0.000 0.504 98 V N 1.561 121.486 119.914 0.019 0.000 2.370 98 V HA -0.262 3.858 4.120 0.001 0.000 0.252 98 V C 1.926 178.015 176.094 -0.008 0.000 1.068 98 V CA 1.706 64.010 62.300 0.006 0.000 1.061 98 V CB -0.816 31.019 31.823 0.019 0.000 0.656 98 V HN 0.625 nan 8.190 nan 0.000 0.455 99 I N -0.064 120.504 120.570 -0.003 0.000 2.500 99 I HA 0.110 4.280 4.170 0.001 0.000 0.252 99 I C 1.658 177.763 176.117 -0.019 0.000 1.142 99 I CA 1.200 62.495 61.300 -0.008 0.000 1.451 99 I CB -0.252 37.748 38.000 -0.001 0.000 1.093 99 I HN 0.528 nan 8.210 nan 0.000 0.430 100 G N 1.664 110.451 108.800 -0.021 0.000 2.186 100 G HA2 -0.134 3.827 3.960 0.001 0.000 0.130 100 G HA3 -0.134 3.827 3.960 0.001 0.000 0.130 100 G C -0.293 174.591 174.900 -0.027 0.000 1.031 100 G CA -0.642 44.438 45.100 -0.033 0.000 0.697 100 G HN 0.391 nan 8.290 nan 0.000 0.494 101 E N 0.192 120.382 120.200 -0.016 0.000 2.266 101 E HA 0.459 4.810 4.350 0.001 0.000 0.268 101 E C -2.761 173.835 176.600 -0.006 0.000 0.879 101 E CA -2.301 54.092 56.400 -0.012 0.000 0.762 101 E CB 2.520 32.215 29.700 -0.008 0.000 1.199 101 E HN 0.046 nan 8.360 nan 0.000 0.422 102 P HA -0.012 nan 4.420 nan 0.000 0.264 102 P C 0.034 177.333 177.300 -0.002 0.000 1.193 102 P CA 0.542 63.641 63.100 -0.002 0.000 0.763 102 P CB 0.203 31.902 31.700 -0.000 0.000 0.810 103 I N -0.513 120.055 120.570 -0.002 0.000 3.817 103 I HA 0.285 4.455 4.170 0.001 0.000 0.325 103 I C -0.147 175.949 176.117 -0.035 0.000 1.550 103 I CA -0.247 61.047 61.300 -0.009 0.000 1.100 103 I CB 0.313 38.317 38.000 0.007 0.000 1.216 103 I HN 0.073 nan 8.210 nan 0.000 0.481 104 D N -0.000 120.377 120.400 -0.038 0.000 2.431 104 D HA 0.061 4.701 4.640 0.001 0.000 0.213 104 D C -0.018 176.266 176.300 -0.026 0.000 1.130 104 D CA -0.235 53.722 54.000 -0.070 0.000 0.834 104 D CB -0.023 40.725 40.800 -0.087 0.000 0.985 104 D HN 0.378 nan 8.370 nan 0.000 0.504 105 E N 0.465 120.658 120.200 -0.012 0.000 2.393 105 E HA -0.251 4.100 4.350 0.001 0.000 0.169 105 E C -0.206 176.402 176.600 0.015 0.000 1.591 105 E CA 0.192 56.593 56.400 0.001 0.000 0.661 105 E CB -0.921 28.779 29.700 -0.001 0.000 1.097 105 E HN 0.490 nan 8.360 nan 0.000 0.356 106 R N 0.230 120.741 120.500 0.018 0.000 2.518 106 R HA 0.280 4.620 4.340 0.001 0.000 0.419 106 R C 0.411 176.724 176.300 0.021 0.000 0.902 106 R CA 0.075 56.191 56.100 0.027 0.000 1.146 106 R CB 1.506 31.833 30.300 0.044 0.000 1.652 106 R HN 0.477 nan 8.270 nan 0.000 0.555 107 G N 2.595 111.404 108.800 0.013 0.000 2.699 107 G HA2 -0.165 3.795 3.960 0.001 0.000 0.686 107 G HA3 -0.165 3.795 3.960 0.001 0.000 0.686 107 G C -2.782 172.122 174.900 0.007 0.000 1.301 107 G CA -1.176 43.929 45.100 0.010 0.000 0.816 107 G HN -0.025 nan 8.290 nan 0.000 0.595 108 P HA 0.344 nan 4.420 nan 0.000 0.271 108 P C 0.382 177.680 177.300 -0.003 0.000 1.216 108 P CA -0.181 62.918 63.100 -0.002 0.000 0.776 108 P CB 0.576 32.273 31.700 -0.004 0.000 0.881 109 I N 3.220 123.785 120.570 -0.008 0.000 2.471 109 I HA 0.023 4.193 4.170 0.001 0.000 0.294 109 I C 1.070 177.177 176.117 -0.018 0.000 1.123 109 I CA 0.093 61.387 61.300 -0.011 0.000 1.336 109 I CB -0.394 37.595 38.000 -0.019 0.000 1.430 109 I HN 0.108 nan 8.210 nan 0.000 0.533 110 K N 5.817 126.211 120.400 -0.011 0.000 2.054 110 K HA 0.103 4.424 4.320 0.001 0.000 0.242 110 K C 0.361 176.949 176.600 -0.019 0.000 1.157 110 K CA -0.204 56.075 56.287 -0.013 0.000 1.079 110 K CB -0.038 32.460 32.500 -0.004 0.000 1.331 110 K HN 0.635 nan 8.250 nan 0.000 0.317 111 S N 0.856 116.534 115.700 -0.037 0.000 2.654 111 S HA 0.279 4.750 4.470 0.001 0.000 0.283 111 S C 0.827 175.395 174.600 -0.053 0.000 1.180 111 S CA -0.904 57.264 58.200 -0.055 0.000 1.021 111 S CB 2.024 65.165 63.200 -0.097 0.000 1.018 111 S HN 0.388 nan 8.310 nan 0.000 0.532 112 K N 0.077 120.444 120.400 -0.054 0.000 2.021 112 K HA 0.245 4.566 4.320 0.001 0.000 0.205 112 K C 0.084 176.648 176.600 -0.060 0.000 1.047 112 K CA 0.835 57.100 56.287 -0.037 0.000 0.943 112 K CB -0.290 32.207 32.500 -0.006 0.000 0.725 112 K HN 0.507 nan 8.250 nan 0.000 0.439 113 L N 0.579 121.736 121.223 -0.111 0.000 2.319 113 L HA 0.436 4.777 4.340 0.001 0.000 0.267 113 L C -0.485 176.270 176.870 -0.193 0.000 1.011 113 L CA -0.965 53.795 54.840 -0.133 0.000 0.818 113 L CB 1.993 43.977 42.059 -0.125 0.000 1.316 113 L HN -0.023 nan 8.230 nan 0.000 0.432 114 R N 1.775 122.184 120.500 -0.151 0.000 2.521 114 R HA 0.384 4.725 4.340 0.001 0.000 0.295 114 R C -1.212 175.012 176.300 -0.128 0.000 1.183 114 R CA -0.738 55.271 56.100 -0.152 0.000 0.957 114 R CB 1.869 32.108 30.300 -0.103 0.000 1.171 114 R HN 0.485 nan 8.270 nan 0.000 0.494 115 K N 3.175 123.479 120.400 -0.160 0.000 2.098 115 K HA 0.393 4.713 4.320 0.001 0.000 0.261 115 K C -2.205 174.341 176.600 -0.089 0.000 0.987 115 K CA -1.900 54.321 56.287 -0.110 0.000 0.916 115 K CB 1.163 33.596 32.500 -0.113 0.000 1.039 115 K HN 0.213 nan 8.250 nan 0.000 0.455 116 P HA 0.035 nan 4.420 nan 0.000 0.274 116 P C 0.688 177.945 177.300 -0.072 0.000 1.231 116 P CA -0.105 62.973 63.100 -0.037 0.000 0.790 116 P CB 0.465 32.174 31.700 0.014 0.000 0.951 117 I N -1.366 119.126 120.570 -0.130 0.000 2.676 117 I HA -0.018 4.153 4.170 0.001 0.000 0.259 117 I C 0.594 176.540 176.117 -0.286 0.000 1.194 117 I CA 0.813 61.971 61.300 -0.236 0.000 1.473 117 I CB -0.809 36.991 38.000 -0.333 0.000 1.096 117 I HN 0.228 nan 8.210 nan 0.000 0.443 118 H N 2.817 121.875 119.070 -0.021 0.000 2.604 118 H HA 0.768 5.324 4.556 0.000 0.000 0.306 118 H C -0.389 174.929 175.328 -0.016 0.000 1.075 118 H CA -0.102 55.938 56.048 -0.014 0.000 1.357 118 H CB 1.400 31.158 29.762 -0.006 0.000 1.426 118 H HN 0.424 nan 8.280 nan 0.000 0.470 119 A N 3.721 126.594 122.820 0.089 0.000 2.589 119 A HA 0.260 4.580 4.320 0.001 0.000 0.296 119 A C -0.950 176.655 177.584 0.035 0.000 1.062 119 A CA -0.992 51.072 52.037 0.046 0.000 0.686 119 A CB 1.487 20.495 19.000 0.014 0.000 1.282 119 A HN 0.576 nan 8.150 nan 0.000 0.404 120 D N 1.964 122.380 120.400 0.028 0.000 2.341 120 D HA 0.446 5.086 4.640 0.001 0.000 0.245 120 D C -2.203 174.107 176.300 0.016 0.000 1.106 120 D CA -0.371 53.644 54.000 0.024 0.000 0.905 120 D CB 0.641 41.455 40.800 0.023 0.000 1.202 120 D HN 0.236 nan 8.370 nan 0.000 0.426 121 P HA 0.187 nan 4.420 nan 0.000 0.271 121 P C -2.425 174.889 177.300 0.024 0.000 1.218 121 P CA -0.861 62.247 63.100 0.014 0.000 0.780 121 P CB -0.333 31.378 31.700 0.017 0.000 0.901 122 P HA 0.042 nan 4.420 nan 0.000 0.265 122 P C -0.306 177.023 177.300 0.049 0.000 1.187 122 P CA 0.328 63.444 63.100 0.025 0.000 0.766 122 P CB 0.234 31.943 31.700 0.015 0.000 0.820 123 S N 1.861 117.591 115.700 0.049 0.000 2.573 123 S HA -0.003 4.467 4.470 0.001 0.000 0.277 123 S C 0.920 175.588 174.600 0.113 0.000 1.346 123 S CA -0.423 57.826 58.200 0.081 0.000 1.034 123 S CB -0.090 63.146 63.200 0.060 0.000 0.879 123 S HN 0.451 nan 8.310 nan 0.000 0.528 124 F N 2.368 122.324 119.950 0.009 0.000 2.161 124 F HA -0.168 4.360 4.527 0.002 0.000 0.300 124 F C 2.157 177.963 175.800 0.008 0.000 1.089 124 F CA 1.552 59.559 58.000 0.011 0.000 1.282 124 F CB -0.725 38.282 39.000 0.012 0.000 1.010 124 F HN 0.656 nan 8.300 nan 0.000 0.485 125 A N -0.260 122.522 122.820 -0.063 0.000 2.067 125 A HA -0.123 4.197 4.320 0.001 0.000 0.219 125 A C 2.013 179.510 177.584 -0.146 0.000 1.158 125 A CA 1.450 53.395 52.037 -0.153 0.000 0.661 125 A CB -0.706 18.277 19.000 -0.028 0.000 0.801 125 A HN 0.568 nan 8.150 nan 0.000 0.452 126 E N 0.133 120.280 120.200 -0.089 0.000 2.435 126 E HA -0.028 4.322 4.350 0.001 0.000 0.195 126 E C -0.041 176.509 176.600 -0.084 0.000 1.029 126 E CA -0.108 56.253 56.400 -0.065 0.000 0.865 126 E CB 0.064 29.749 29.700 -0.025 0.000 0.833 126 E HN 0.545 nan 8.360 nan 0.000 0.510 127 Q N 1.001 120.719 119.800 -0.137 0.000 2.311 127 Q HA 0.148 4.489 4.340 0.001 0.000 0.272 127 Q C -0.488 175.437 176.000 -0.126 0.000 1.012 127 Q CA 0.446 56.175 55.803 -0.124 0.000 0.891 127 Q CB 1.457 30.093 28.738 -0.170 0.000 1.201 127 Q HN -0.073 nan 8.270 nan 0.000 0.391 128 S N 1.478 117.135 115.700 -0.072 0.000 2.561 128 S HA 0.443 4.914 4.470 0.001 0.000 0.303 128 S C -0.204 174.374 174.600 -0.037 0.000 1.110 128 S CA -0.837 57.327 58.200 -0.060 0.000 1.034 128 S CB 1.512 64.685 63.200 -0.044 0.000 1.010 128 S HN 0.613 nan 8.310 nan 0.000 0.482 129 T N 0.172 114.705 114.554 -0.035 0.000 2.902 129 T HA 0.809 5.159 4.350 0.001 0.000 0.283 129 T C -0.125 174.569 174.700 -0.011 0.000 1.009 129 T CA -0.786 61.304 62.100 -0.016 0.000 1.051 129 T CB 1.261 70.121 68.868 -0.013 0.000 0.999 129 T HN 0.584 nan 8.240 nan 0.000 0.474 130 S N 0.040 115.739 115.700 -0.001 0.000 2.546 130 S HA 0.728 5.199 4.470 0.001 0.000 0.274 130 S C -0.274 174.329 174.600 0.006 0.000 1.121 130 S CA -0.771 57.429 58.200 0.001 0.000 0.887 130 S CB 1.657 64.859 63.200 0.004 0.000 1.094 130 S HN 1.374 nan 8.310 nan 0.000 0.474 131 A N 0.932 123.752 122.820 0.002 0.000 2.705 131 A HA 0.506 4.826 4.320 0.001 0.000 0.294 131 A C 0.028 177.612 177.584 -0.001 0.000 1.039 131 A CA -0.408 51.629 52.037 0.000 0.000 1.005 131 A CB -0.306 18.688 19.000 -0.010 0.000 1.192 131 A HN 0.839 nan 8.150 nan 0.000 0.513 132 E N 0.975 121.180 120.200 0.008 0.000 2.227 132 E HA 0.473 4.823 4.350 0.001 0.000 0.282 132 E C -0.505 176.107 176.600 0.021 0.000 1.015 132 E CA -0.486 55.920 56.400 0.010 0.000 0.823 132 E CB 0.634 30.341 29.700 0.012 0.000 1.081 132 E HN 0.506 nan 8.360 nan 0.000 0.396 133 I N 3.731 124.308 120.570 0.012 0.000 2.823 133 I HA 0.083 4.253 4.170 0.001 0.000 0.290 133 I C -0.157 175.987 176.117 0.046 0.000 1.091 133 I CA -0.460 60.852 61.300 0.019 0.000 1.365 133 I CB 0.599 38.592 38.000 -0.012 0.000 1.427 133 I HN 0.477 nan 8.210 nan 0.000 0.583 134 L N 5.038 126.305 121.223 0.074 0.000 2.415 134 L HA 0.343 4.683 4.340 0.001 0.000 0.268 134 L C -0.294 176.639 176.870 0.104 0.000 0.984 134 L CA -0.193 54.710 54.840 0.105 0.000 0.853 134 L CB 1.318 43.472 42.059 0.159 0.000 1.215 134 L HN 0.548 nan 8.230 nan 0.000 0.419 135 E N 1.905 122.151 120.200 0.077 0.000 2.290 135 E HA 0.190 4.540 4.350 0.001 0.000 0.277 135 E C 0.270 176.918 176.600 0.081 0.000 1.035 135 E CA 0.579 57.016 56.400 0.061 0.000 0.873 135 E CB 0.966 30.692 29.700 0.043 0.000 1.029 135 E HN 0.801 nan 8.360 nan 0.000 0.419 136 T N 0.779 115.378 114.554 0.075 0.000 3.018 136 T HA 0.306 4.656 4.350 0.001 0.000 0.246 136 T C 1.340 176.043 174.700 0.006 0.000 1.026 136 T CA 0.486 62.639 62.100 0.088 0.000 1.081 136 T CB 0.459 69.428 68.868 0.167 0.000 0.970 136 T HN 0.690 nan 8.240 nan 0.000 0.475 137 G N 1.573 110.363 108.800 -0.016 0.000 2.201 137 G HA2 -0.131 3.830 3.960 0.001 0.000 0.212 137 G HA3 -0.131 3.830 3.960 0.001 0.000 0.212 137 G C 0.016 174.859 174.900 -0.095 0.000 0.994 137 G CA -0.161 44.903 45.100 -0.059 0.000 0.644 137 G HN 0.630 nan 8.290 nan 0.000 0.508 138 I N 1.814 122.335 120.570 -0.082 0.000 2.352 138 I HA 0.193 4.363 4.170 0.001 0.000 0.290 138 I C 1.685 177.791 176.117 -0.019 0.000 1.036 138 I CA -0.429 60.826 61.300 -0.075 0.000 1.336 138 I CB 1.172 39.149 38.000 -0.038 0.000 1.407 138 I HN 0.071 nan 8.210 nan 0.000 0.497 139 K N 4.358 124.752 120.400 -0.010 0.000 1.978 139 K HA -0.160 4.161 4.320 0.001 0.000 0.214 139 K C 1.756 178.348 176.600 -0.014 0.000 1.049 139 K CA 1.654 57.942 56.287 0.002 0.000 0.939 139 K CB -0.326 32.190 32.500 0.025 0.000 0.721 139 K HN 0.724 nan 8.250 nan 0.000 0.441 140 V N -0.991 118.948 119.914 0.042 0.000 3.140 140 V HA -0.133 3.987 4.120 0.001 0.000 0.269 140 V C 1.696 177.807 176.094 0.029 0.000 1.149 140 V CA 1.229 63.555 62.300 0.043 0.000 1.162 140 V CB -0.575 31.321 31.823 0.121 0.000 0.756 140 V HN 0.064 nan 8.190 nan 0.000 0.523 141 V N -0.171 119.753 119.914 0.016 0.000 2.735 141 V HA 0.071 4.191 4.120 0.001 0.000 0.234 141 V C 2.203 178.218 176.094 -0.131 0.000 1.121 141 V CA 1.242 63.498 62.300 -0.073 0.000 1.160 141 V CB -0.472 31.294 31.823 -0.094 0.000 0.908 141 V HN 0.383 nan 8.190 nan 0.000 0.495 142 D N 0.461 120.808 120.400 -0.089 0.000 2.351 142 D HA -0.113 4.528 4.640 0.001 0.000 0.216 142 D C 1.703 178.037 176.300 0.057 0.000 0.968 142 D CA 1.071 55.050 54.000 -0.034 0.000 0.899 142 D CB 0.355 41.154 40.800 -0.001 0.000 0.907 142 D HN 0.316 nan 8.370 nan 0.000 0.514 143 L N -0.708 120.501 121.223 -0.023 0.000 2.425 143 L HA 0.149 4.489 4.340 0.001 0.000 0.215 143 L C 1.674 178.536 176.870 -0.014 0.000 1.065 143 L CA 0.856 55.644 54.840 -0.087 0.000 0.842 143 L CB 0.130 41.959 42.059 -0.384 0.000 1.033 143 L HN -0.109 nan 8.230 nan 0.000 0.474 144 L N -0.725 120.472 121.223 -0.043 0.000 2.488 144 L HA 0.418 4.758 4.340 0.001 0.000 0.186 144 L C 0.868 177.740 176.870 0.004 0.000 1.124 144 L CA 0.534 55.361 54.840 -0.022 0.000 0.838 144 L CB -0.240 41.792 42.059 -0.045 0.000 1.107 144 L HN 0.103 nan 8.230 nan 0.000 0.494 145 A N 0.569 123.369 122.820 -0.033 0.000 3.105 145 A HA 0.536 4.856 4.320 0.001 0.000 0.336 145 A C -2.542 174.950 177.584 -0.154 0.000 1.042 145 A CA -1.210 50.804 52.037 -0.038 0.000 0.851 145 A CB -0.318 18.688 19.000 0.010 0.000 1.068 145 A HN -0.059 nan 8.150 nan 0.000 0.477 146 P HA 0.195 nan 4.420 nan 0.000 0.268 146 P C -0.663 176.580 177.300 -0.096 0.000 1.205 146 P CA 0.373 63.357 63.100 -0.194 0.000 0.771 146 P CB 0.220 31.865 31.700 -0.092 0.000 0.858 147 Y N 1.048 121.398 120.300 0.083 0.000 2.326 147 Y HA 0.466 5.017 4.550 0.000 0.000 0.333 147 Y C 1.078 177.012 175.900 0.056 0.000 1.240 147 Y CA -0.865 57.284 58.100 0.080 0.000 1.365 147 Y CB -0.028 38.496 38.460 0.106 0.000 1.289 147 Y HN 0.330 nan 8.280 nan 0.000 0.548 148 A N 3.051 126.004 122.820 0.222 0.000 2.325 148 A HA 0.639 4.959 4.320 0.001 0.000 0.333 148 A C -0.180 177.466 177.584 0.104 0.000 1.155 148 A CA -1.130 50.980 52.037 0.123 0.000 0.814 148 A CB 0.720 19.771 19.000 0.085 0.000 1.206 148 A HN 0.670 nan 8.150 nan 0.000 0.482 149 R N 0.722 121.268 120.500 0.078 0.000 2.522 149 R HA 0.259 4.599 4.340 0.001 0.000 0.284 149 R C 1.150 177.477 176.300 0.045 0.000 1.032 149 R CA 1.064 57.203 56.100 0.066 0.000 1.049 149 R CB -0.148 30.184 30.300 0.053 0.000 0.956 149 R HN 1.738 nan 8.270 nan 0.000 0.422 150 G N 1.891 110.713 108.800 0.037 0.000 2.258 150 G HA2 -0.269 3.691 3.960 0.001 0.000 0.274 150 G HA3 -0.269 3.691 3.960 0.001 0.000 0.274 150 G C 0.500 175.407 174.900 0.011 0.000 1.021 150 G CA 0.571 45.681 45.100 0.016 0.000 0.798 150 G HN 0.869 nan 8.290 nan 0.000 0.507 151 G N -1.165 107.646 108.800 0.019 0.000 2.613 151 G HA2 0.654 4.615 3.960 0.001 0.000 0.303 151 G HA3 0.654 4.615 3.960 0.001 0.000 0.303 151 G C -0.250 174.652 174.900 0.004 0.000 1.312 151 G CA -0.948 44.168 45.100 0.027 0.000 1.036 151 G HN 0.358 nan 8.290 nan 0.000 0.513 152 K N 0.082 120.496 120.400 0.022 0.000 2.211 152 K HA 0.455 4.776 4.320 0.001 0.000 0.275 152 K C -0.656 175.951 176.600 0.012 0.000 1.024 152 K CA -0.144 56.147 56.287 0.006 0.000 0.887 152 K CB 1.901 34.422 32.500 0.034 0.000 1.084 152 K HN 0.247 nan 8.250 nan 0.000 0.463 153 I N 1.417 121.954 120.570 -0.055 0.000 2.493 153 I HA 0.413 4.583 4.170 0.001 0.000 0.298 153 I C 0.309 176.390 176.117 -0.060 0.000 0.998 153 I CA -0.806 60.428 61.300 -0.109 0.000 1.137 153 I CB 2.108 39.916 38.000 -0.319 0.000 1.310 153 I HN 0.664 nan 8.210 nan 0.000 0.445 154 G N 6.077 114.887 108.800 0.017 0.000 2.617 154 G HA2 0.691 4.651 3.960 0.001 0.000 0.306 154 G HA3 0.691 4.651 3.960 0.001 0.000 0.306 154 G C -1.056 173.869 174.900 0.041 0.000 1.360 154 G CA -0.391 44.719 45.100 0.016 0.000 0.983 154 G HN 0.482 nan 8.290 nan 0.000 0.496 155 L N 2.753 123.901 121.223 -0.124 0.000 2.495 155 L HA 0.357 4.697 4.340 0.001 0.000 0.248 155 L C -0.564 176.253 176.870 -0.088 0.000 1.229 155 L CA -0.568 54.211 54.840 -0.101 0.000 0.942 155 L CB 0.248 42.192 42.059 -0.192 0.000 1.242 155 L HN 0.348 nan 8.230 nan 0.000 0.484 156 F N 0.952 120.863 119.950 -0.064 0.000 2.485 156 F HA 0.617 5.144 4.527 0.001 0.000 0.327 156 F C 1.255 177.023 175.800 -0.053 0.000 1.203 156 F CA 0.050 58.014 58.000 -0.061 0.000 1.295 156 F CB 0.867 39.859 39.000 -0.014 0.000 1.191 156 F HN 0.339 nan 8.300 nan 0.000 0.588 157 G N -0.139 108.722 108.800 0.102 0.000 2.343 157 G HA2 0.450 4.410 3.960 0.001 0.000 0.298 157 G HA3 0.450 4.410 3.960 0.001 0.000 0.298 157 G C -0.404 174.457 174.900 -0.065 0.000 1.644 157 G CA -0.568 44.552 45.100 0.032 0.000 0.958 157 G HN 0.944 nan 8.290 nan 0.000 0.702 158 G N -0.168 108.580 108.800 -0.087 0.000 2.418 158 G HA2 0.612 4.572 3.960 0.001 0.000 0.276 158 G HA3 0.612 4.572 3.960 0.001 0.000 0.276 158 G C 0.830 175.742 174.900 0.021 0.000 1.442 158 G CA 0.649 45.658 45.100 -0.153 0.000 1.066 158 G HN 1.960 nan 8.290 nan 0.000 0.553 159 A N -1.596 121.291 122.820 0.113 0.000 2.309 159 A HA 0.594 4.915 4.320 0.001 0.000 0.290 159 A C 1.094 178.744 177.584 0.110 0.000 1.206 159 A CA 0.719 52.885 52.037 0.216 0.000 0.850 159 A CB -0.140 19.014 19.000 0.256 0.000 1.118 159 A HN 2.497 nan 8.150 nan 0.000 0.523 160 G N 1.344 110.199 108.800 0.092 0.000 2.256 160 G HA2 -0.106 3.855 3.960 0.001 0.000 0.272 160 G HA3 -0.106 3.855 3.960 0.001 0.000 0.272 160 G C 0.541 175.473 174.900 0.053 0.000 1.076 160 G CA 0.770 45.896 45.100 0.044 0.000 0.882 160 G HN 2.025 nan 8.290 nan 0.000 0.497 161 V N -3.889 116.067 119.914 0.069 0.000 3.263 161 V HA 0.698 4.818 4.120 0.001 0.000 0.248 161 V C 1.672 177.832 176.094 0.109 0.000 1.145 161 V CA 1.131 63.485 62.300 0.091 0.000 1.107 161 V CB 0.460 32.324 31.823 0.069 0.000 0.797 161 V HN 2.242 nan 8.190 nan 0.000 0.467 162 G N 0.715 109.559 108.800 0.074 0.000 2.441 162 G HA2 -0.108 3.852 3.960 0.001 0.000 0.139 162 G HA3 -0.108 3.852 3.960 0.001 0.000 0.139 162 G C 0.239 175.220 174.900 0.135 0.000 1.067 162 G CA 0.165 45.309 45.100 0.074 0.000 0.766 162 G HN 0.392 nan 8.290 nan 0.000 0.484 163 K N -0.620 119.843 120.400 0.106 0.000 2.128 163 K HA 0.052 4.372 4.320 0.001 0.000 0.202 163 K C 2.496 179.191 176.600 0.158 0.000 1.050 163 K CA 1.563 57.909 56.287 0.099 0.000 0.966 163 K CB -0.009 32.528 32.500 0.061 0.000 0.759 163 K HN 0.278 nan 8.250 nan 0.000 0.454 164 T N 1.312 115.953 114.554 0.144 0.000 2.698 164 T HA -0.082 4.268 4.350 0.001 0.000 0.260 164 T C 2.054 176.867 174.700 0.188 0.000 1.044 164 T CA 1.039 63.240 62.100 0.167 0.000 1.149 164 T CB -0.235 68.722 68.868 0.148 0.000 0.864 164 T HN -0.112 nan 8.240 nan 0.000 0.419 165 V N 1.346 121.349 119.914 0.148 0.000 2.439 165 V HA -0.194 3.926 4.120 0.001 0.000 0.253 165 V C 2.037 178.256 176.094 0.208 0.000 1.074 165 V CA 1.658 64.043 62.300 0.142 0.000 1.076 165 V CB -0.812 31.035 31.823 0.041 0.000 0.664 165 V HN 0.379 nan 8.190 nan 0.000 0.461 166 F N 0.202 120.207 119.950 0.091 0.000 2.134 166 F HA -0.145 4.383 4.527 0.001 0.000 0.299 166 F C 2.095 178.022 175.800 0.211 0.000 1.097 166 F CA 1.621 59.736 58.000 0.191 0.000 1.264 166 F CB -0.144 38.941 39.000 0.143 0.000 1.001 166 F HN 0.059 nan 8.300 nan 0.000 0.479 167 I N -0.214 120.606 120.570 0.416 0.000 2.202 167 I HA -0.319 3.851 4.170 0.001 0.000 0.242 167 I C 2.355 178.528 176.117 0.092 0.000 1.091 167 I CA 1.296 62.742 61.300 0.243 0.000 1.368 167 I CB -0.819 37.282 38.000 0.168 0.000 1.058 167 I HN 0.174 nan 8.210 nan 0.000 0.410 168 Q N 0.449 120.317 119.800 0.114 0.000 2.133 168 Q HA -0.323 4.017 4.340 0.001 0.000 0.208 168 Q C 2.104 178.124 176.000 0.033 0.000 0.991 168 Q CA 2.215 58.051 55.803 0.055 0.000 0.867 168 Q CB -0.243 28.550 28.738 0.092 0.000 0.911 168 Q HN 0.403 nan 8.270 nan 0.000 0.417 169 E N 0.781 121.036 120.200 0.093 0.000 2.072 169 E HA -0.127 4.224 4.350 0.001 0.000 0.191 169 E C 1.769 178.352 176.600 -0.029 0.000 0.985 169 E CA 0.839 57.251 56.400 0.022 0.000 0.801 169 E CB -0.158 29.556 29.700 0.024 0.000 0.750 169 E HN 0.317 nan 8.360 nan 0.000 0.452 170 L N 0.155 121.389 121.223 0.019 0.000 2.191 170 L HA -0.124 4.216 4.340 0.001 0.000 0.212 170 L C 2.220 179.099 176.870 0.015 0.000 1.103 170 L CA 0.891 55.767 54.840 0.060 0.000 0.769 170 L CB -0.343 41.820 42.059 0.174 0.000 0.908 170 L HN 0.243 nan 8.230 nan 0.000 0.438 171 I N -0.600 119.902 120.570 -0.115 0.000 2.716 171 I HA -0.159 4.011 4.170 0.001 0.000 0.259 171 I C 1.894 177.983 176.117 -0.047 0.000 1.172 171 I CA 0.673 61.874 61.300 -0.165 0.000 1.478 171 I CB -0.249 37.539 38.000 -0.353 0.000 1.104 171 I HN 0.254 nan 8.210 nan 0.000 0.439 172 N N 0.840 119.516 118.700 -0.040 0.000 2.463 172 N HA -0.069 4.671 4.740 0.001 0.000 0.181 172 N C 1.251 176.749 175.510 -0.019 0.000 1.078 172 N CA 0.854 53.888 53.050 -0.028 0.000 0.902 172 N CB 0.179 38.645 38.487 -0.035 0.000 0.970 172 N HN 0.213 nan 8.380 nan 0.000 0.451 173 N N -1.048 117.648 118.700 -0.006 0.000 2.239 173 N HA 0.229 4.969 4.740 0.001 0.000 0.208 173 N C 0.765 176.304 175.510 0.048 0.000 1.200 173 N CA 0.243 53.294 53.050 0.003 0.000 0.895 173 N CB 1.060 39.529 38.487 -0.029 0.000 1.085 173 N HN 0.266 nan 8.380 nan 0.000 0.500 174 I N 0.162 120.781 120.570 0.082 0.000 3.565 174 I HA 0.189 4.359 4.170 0.001 0.000 0.287 174 I C 2.107 178.312 176.117 0.146 0.000 1.193 174 I CA 0.250 61.627 61.300 0.129 0.000 1.402 174 I CB -0.009 38.090 38.000 0.165 0.000 1.284 174 I HN -0.121 nan 8.210 nan 0.000 0.454 175 A N 1.542 124.444 122.820 0.136 0.000 1.972 175 A HA -0.185 4.135 4.320 0.001 0.000 0.219 175 A C 2.240 179.898 177.584 0.122 0.000 1.169 175 A CA 1.605 53.725 52.037 0.138 0.000 0.635 175 A CB -0.381 18.709 19.000 0.150 0.000 0.810 175 A HN 0.297 nan 8.150 nan 0.000 0.446 176 K N -0.440 120.011 120.400 0.085 0.000 1.984 176 K HA 0.018 4.339 4.320 0.001 0.000 0.209 176 K C 1.559 178.198 176.600 0.065 0.000 1.046 176 K CA 1.211 57.533 56.287 0.059 0.000 0.934 176 K CB -0.238 32.281 32.500 0.032 0.000 0.717 176 K HN 0.358 nan 8.250 nan 0.000 0.438 177 A N 1.017 123.880 122.820 0.072 0.000 2.579 177 A HA 0.029 4.349 4.320 0.001 0.000 0.273 177 A C 0.935 178.567 177.584 0.081 0.000 1.363 177 A CA 0.108 52.178 52.037 0.055 0.000 0.953 177 A CB -0.563 18.460 19.000 0.038 0.000 1.034 177 A HN 0.314 nan 8.150 nan 0.000 0.536 178 H N -0.441 118.628 119.070 -0.001 0.000 2.300 178 H HA 0.315 4.871 4.556 0.001 0.000 0.312 178 H C 1.770 177.066 175.328 -0.054 0.000 1.057 178 H CA 2.325 58.365 56.048 -0.013 0.000 1.380 178 H CB 0.198 29.962 29.762 0.004 0.000 1.424 178 H HN 0.595 nan 8.280 nan 0.000 0.534 179 G N -1.188 107.540 108.800 -0.120 0.000 2.232 179 G HA2 -0.194 3.767 3.960 0.001 0.000 0.226 179 G HA3 -0.194 3.767 3.960 0.001 0.000 0.226 179 G C 0.911 175.625 174.900 -0.310 0.000 0.996 179 G CA 0.588 45.555 45.100 -0.222 0.000 0.626 179 G HN 0.889 nan 8.290 nan 0.000 0.509 180 G N -0.526 108.112 108.800 -0.269 0.000 2.945 180 G HA2 0.677 4.637 3.960 0.001 0.000 0.156 180 G HA3 0.677 4.637 3.960 0.001 0.000 0.156 180 G C -0.353 174.332 174.900 -0.359 0.000 1.375 180 G CA -0.669 44.231 45.100 -0.333 0.000 1.039 180 G HN 0.309 nan 8.290 nan 0.000 0.586 181 F N -0.669 119.283 119.950 0.004 0.000 2.541 181 F HA 0.726 5.253 4.527 0.000 0.000 0.331 181 F C 0.485 176.209 175.800 -0.127 0.000 1.057 181 F CA -0.800 57.099 58.000 -0.169 0.000 0.975 181 F CB 2.289 40.957 39.000 -0.554 0.000 1.246 181 F HN 0.190 nan 8.300 nan 0.000 0.484 182 S N 0.213 115.974 115.700 0.102 0.000 2.548 182 S HA 0.778 5.249 4.470 0.001 0.000 0.286 182 S C -1.423 173.228 174.600 0.084 0.000 1.098 182 S CA -0.751 57.484 58.200 0.059 0.000 0.930 182 S CB 2.260 65.562 63.200 0.169 0.000 1.070 182 S HN 0.296 nan 8.310 nan 0.000 0.480 183 V N 3.028 122.983 119.914 0.068 0.000 2.419 183 V HA 0.438 4.558 4.120 0.001 0.000 0.287 183 V C -1.327 174.850 176.094 0.138 0.000 1.017 183 V CA -0.536 61.821 62.300 0.095 0.000 0.844 183 V CB 0.889 32.746 31.823 0.058 0.000 1.011 183 V HN 0.838 nan 8.190 nan 0.000 0.429 184 F N 3.502 123.489 119.950 0.061 0.000 2.410 184 F HA 0.703 5.230 4.527 0.001 0.000 0.349 184 F C 0.446 176.174 175.800 -0.121 0.000 1.117 184 F CA 0.081 58.121 58.000 0.068 0.000 1.104 184 F CB 1.681 40.741 39.000 0.099 0.000 1.122 184 F HN 0.420 nan 8.300 nan 0.000 0.483 185 T N 4.797 119.294 114.554 -0.095 0.000 2.930 185 T HA 0.390 4.741 4.350 0.001 0.000 0.313 185 T C -0.011 174.727 174.700 0.063 0.000 1.019 185 T CA -0.666 61.403 62.100 -0.052 0.000 1.004 185 T CB 0.981 69.792 68.868 -0.096 0.000 0.987 185 T HN 0.849 nan 8.240 nan 0.000 0.456 186 G N 2.354 111.386 108.800 0.388 0.000 2.448 186 G HA2 0.484 4.444 3.960 0.001 0.000 0.309 186 G HA3 0.484 4.444 3.960 0.001 0.000 0.309 186 G C -0.190 174.887 174.900 0.295 0.000 1.027 186 G CA -0.271 45.132 45.100 0.504 0.000 1.104 186 G HN 0.640 nan 8.290 nan 0.000 0.428 187 V N 2.725 122.733 119.914 0.157 0.000 2.364 187 V HA 0.563 4.683 4.120 0.001 0.000 0.272 187 V C 1.172 177.319 176.094 0.087 0.000 1.036 187 V CA 0.388 62.751 62.300 0.105 0.000 0.880 187 V CB 0.785 32.647 31.823 0.065 0.000 0.991 187 V HN 1.259 nan 8.190 nan 0.000 0.460 188 G N 3.949 112.791 108.800 0.071 0.000 2.370 188 G HA2 -0.171 3.789 3.960 0.001 0.000 0.293 188 G HA3 -0.171 3.789 3.960 0.001 0.000 0.293 188 G C -0.122 174.799 174.900 0.035 0.000 0.992 188 G CA 0.094 45.215 45.100 0.035 0.000 1.247 188 G HN 0.623 nan 8.290 nan 0.000 0.505 189 E N -0.605 119.626 120.200 0.052 0.000 2.410 189 E HA 0.386 4.736 4.350 0.001 0.000 0.269 189 E C 0.615 177.220 176.600 0.009 0.000 0.937 189 E CA -1.168 55.258 56.400 0.044 0.000 0.793 189 E CB 1.066 30.827 29.700 0.101 0.000 1.314 189 E HN 0.445 nan 8.360 nan 0.000 0.447 190 R N 0.471 120.971 120.500 0.000 0.000 2.486 190 R HA 0.046 4.386 4.340 0.001 0.000 0.303 190 R C 0.978 177.242 176.300 -0.059 0.000 0.958 190 R CA 0.342 56.429 56.100 -0.022 0.000 1.077 190 R CB -0.107 30.186 30.300 -0.012 0.000 0.921 190 R HN 0.450 nan 8.270 nan 0.000 0.406 191 T N 2.265 116.774 114.554 -0.075 0.000 2.849 191 T HA -0.194 4.157 4.350 0.001 0.000 0.270 191 T C 1.730 176.342 174.700 -0.145 0.000 1.066 191 T CA 1.225 63.248 62.100 -0.129 0.000 1.130 191 T CB -0.127 68.681 68.868 -0.100 0.000 0.864 191 T HN 0.527 nan 8.240 nan 0.000 0.481 192 R N 1.020 121.467 120.500 -0.089 0.000 2.081 192 R HA -0.091 4.250 4.340 0.001 0.000 0.235 192 R C 2.250 178.501 176.300 -0.080 0.000 1.131 192 R CA 1.430 57.486 56.100 -0.072 0.000 0.960 192 R CB -0.075 30.204 30.300 -0.036 0.000 0.856 192 R HN 0.512 nan 8.270 nan 0.000 0.436 193 E N -1.071 119.087 120.200 -0.071 0.000 2.204 193 E HA -0.129 4.222 4.350 0.001 0.000 0.195 193 E C 1.809 178.333 176.600 -0.126 0.000 0.990 193 E CA 0.955 57.321 56.400 -0.056 0.000 0.821 193 E CB -0.087 29.611 29.700 -0.003 0.000 0.750 193 E HN 0.550 nan 8.360 nan 0.000 0.477 194 G N 1.456 110.102 108.800 -0.258 0.000 2.404 194 G HA2 -0.320 3.640 3.960 0.001 0.000 0.215 194 G HA3 -0.320 3.640 3.960 0.001 0.000 0.215 194 G C 1.467 176.189 174.900 -0.297 0.000 1.174 194 G CA 0.922 45.713 45.100 -0.516 0.000 0.780 194 G HN 0.173 nan 8.290 nan 0.000 0.537 195 N N 1.154 119.730 118.700 -0.208 0.000 2.058 195 N HA -0.113 4.627 4.740 0.001 0.000 0.191 195 N C 1.711 177.229 175.510 0.013 0.000 1.037 195 N CA 1.774 54.780 53.050 -0.073 0.000 0.848 195 N CB -0.248 38.198 38.487 -0.068 0.000 1.021 195 N HN 0.162 nan 8.380 nan 0.000 0.422 196 D N -0.098 120.289 120.400 -0.023 0.000 2.218 196 D HA -0.141 4.500 4.640 0.001 0.000 0.204 196 D C 1.882 178.174 176.300 -0.014 0.000 0.976 196 D CA 0.492 54.485 54.000 -0.011 0.000 0.853 196 D CB -0.277 40.513 40.800 -0.017 0.000 0.939 196 D HN 0.301 nan 8.370 nan 0.000 0.481 197 L N -0.078 121.126 121.223 -0.033 0.000 2.093 197 L HA -0.144 4.196 4.340 0.001 0.000 0.208 197 L C 2.153 179.037 176.870 0.023 0.000 1.085 197 L CA 1.327 56.130 54.840 -0.061 0.000 0.755 197 L CB -0.667 41.295 42.059 -0.162 0.000 0.904 197 L HN -0.068 nan 8.230 nan 0.000 0.435 198 Y N 0.279 120.546 120.300 -0.055 0.000 2.200 198 Y HA -0.197 4.354 4.550 0.000 0.000 0.290 198 Y C 2.560 178.447 175.900 -0.022 0.000 1.137 198 Y CA 1.468 59.560 58.100 -0.014 0.000 1.163 198 Y CB -0.156 38.305 38.460 0.003 0.000 0.988 198 Y HN 0.129 nan 8.280 nan 0.000 0.518 199 R N 0.647 121.143 120.500 -0.006 0.000 2.083 199 R HA -0.160 4.180 4.340 0.001 0.000 0.237 199 R C 1.974 178.211 176.300 -0.106 0.000 1.137 199 R CA 1.622 57.674 56.100 -0.080 0.000 0.951 199 R CB -0.940 29.345 30.300 -0.026 0.000 0.851 199 R HN 0.460 nan 8.270 nan 0.000 0.434 200 E N 0.320 120.476 120.200 -0.074 0.000 2.077 200 E HA -0.107 4.243 4.350 0.001 0.000 0.193 200 E C 1.992 178.542 176.600 -0.084 0.000 0.989 200 E CA 0.925 57.283 56.400 -0.070 0.000 0.800 200 E CB -0.160 29.505 29.700 -0.058 0.000 0.746 200 E HN 0.238 nan 8.360 nan 0.000 0.452 201 M N 0.743 120.283 119.600 -0.100 0.000 2.229 201 M HA -0.093 4.387 4.480 0.001 0.000 0.264 201 M C 1.939 178.162 176.300 -0.128 0.000 1.063 201 M CA 1.303 56.547 55.300 -0.094 0.000 1.114 201 M CB -0.771 31.786 32.600 -0.072 0.000 1.387 201 M HN 0.015 nan 8.290 nan 0.000 0.420 202 K N 0.384 120.660 120.400 -0.207 0.000 2.007 202 K HA -0.090 4.231 4.320 0.001 0.000 0.206 202 K C 1.997 178.528 176.600 -0.116 0.000 1.047 202 K CA 1.126 57.293 56.287 -0.200 0.000 0.937 202 K CB -0.133 32.192 32.500 -0.292 0.000 0.718 202 K HN 0.396 nan 8.250 nan 0.000 0.438 203 E N 0.474 120.613 120.200 -0.102 0.000 2.031 203 E HA -0.179 4.171 4.350 0.001 0.000 0.193 203 E C 2.136 178.705 176.600 -0.053 0.000 0.994 203 E CA 1.890 58.249 56.400 -0.068 0.000 0.800 203 E CB -0.323 29.341 29.700 -0.060 0.000 0.752 203 E HN 0.449 nan 8.360 nan 0.000 0.447 204 T N -2.344 112.179 114.554 -0.051 0.000 2.929 204 T HA -0.025 4.325 4.350 0.001 0.000 0.271 204 T C 1.678 176.360 174.700 -0.030 0.000 1.085 204 T CA 0.982 63.060 62.100 -0.036 0.000 1.125 204 T CB -0.143 68.706 68.868 -0.032 0.000 0.874 204 T HN 0.400 nan 8.240 nan 0.000 0.494 205 G N -0.044 108.732 108.800 -0.040 0.000 2.176 205 G HA2 -0.297 3.663 3.960 0.001 0.000 0.253 205 G HA3 -0.297 3.663 3.960 0.001 0.000 0.253 205 G C 0.905 175.794 174.900 -0.018 0.000 0.979 205 G CA 0.202 45.284 45.100 -0.030 0.000 0.641 205 G HN 0.581 nan 8.290 nan 0.000 0.530 206 V N 0.164 120.069 119.914 -0.015 0.000 2.392 206 V HA 0.055 4.175 4.120 0.001 0.000 0.249 206 V C 1.536 177.636 176.094 0.010 0.000 1.059 206 V CA 2.024 64.328 62.300 0.008 0.000 1.051 206 V CB -0.222 31.611 31.823 0.016 0.000 0.658 206 V HN 0.526 nan 8.190 nan 0.000 0.455 207 I N 1.286 121.844 120.570 -0.020 0.000 2.437 207 I HA 0.324 4.494 4.170 0.001 0.000 0.279 207 I C -0.402 175.689 176.117 -0.045 0.000 1.028 207 I CA -0.068 61.221 61.300 -0.019 0.000 1.142 207 I CB 1.088 39.070 38.000 -0.030 0.000 1.266 207 I HN 0.099 nan 8.210 nan 0.000 0.461 208 N N 6.841 125.533 118.700 -0.014 0.000 2.444 208 N HA 0.340 5.081 4.740 0.001 0.000 0.262 208 N C 0.822 176.333 175.510 0.001 0.000 0.974 208 N CA -0.332 52.709 53.050 -0.017 0.000 0.933 208 N CB 1.765 40.248 38.487 -0.007 0.000 1.137 208 N HN 0.580 nan 8.380 nan 0.000 0.498 209 L N 2.942 124.164 121.223 -0.002 0.000 1.990 209 L HA -0.206 4.135 4.340 0.001 0.000 0.213 209 L C 1.933 178.816 176.870 0.022 0.000 1.072 209 L CA 1.610 56.463 54.840 0.022 0.000 0.755 209 L CB -0.214 41.860 42.059 0.025 0.000 0.889 209 L HN 0.596 nan 8.230 nan 0.000 0.432 210 E N -0.135 120.073 120.200 0.014 0.000 2.106 210 E HA -0.059 4.291 4.350 0.001 0.000 0.192 210 E C 1.461 178.071 176.600 0.016 0.000 0.984 210 E CA 0.750 57.159 56.400 0.014 0.000 0.806 210 E CB -0.152 29.553 29.700 0.009 0.000 0.750 210 E HN 0.549 nan 8.360 nan 0.000 0.458 211 G N 0.629 109.438 108.800 0.014 0.000 2.714 211 G HA2 0.206 4.166 3.960 0.001 0.000 0.197 211 G HA3 0.206 4.166 3.960 0.001 0.000 0.197 211 G C -0.172 174.743 174.900 0.026 0.000 1.449 211 G CA -0.485 44.626 45.100 0.018 0.000 1.065 211 G HN -0.025 nan 8.290 nan 0.000 0.575 212 E N -1.185 119.034 120.200 0.030 0.000 2.259 212 E HA 0.550 4.900 4.350 0.001 0.000 0.257 212 E C -0.476 176.150 176.600 0.044 0.000 0.998 212 E CA -0.581 55.846 56.400 0.043 0.000 0.866 212 E CB 1.826 31.558 29.700 0.054 0.000 1.220 212 E HN 0.514 nan 8.360 nan 0.000 0.415 213 S N -0.494 115.242 115.700 0.060 0.000 2.667 213 S HA 0.452 4.922 4.470 0.001 0.000 0.292 213 S C -0.078 174.580 174.600 0.095 0.000 1.126 213 S CA -0.962 57.275 58.200 0.063 0.000 0.881 213 S CB 1.788 65.023 63.200 0.059 0.000 1.132 213 S HN 0.458 nan 8.310 nan 0.000 0.492 214 K N -0.303 120.156 120.400 0.098 0.000 2.402 214 K HA 0.483 4.804 4.320 0.001 0.000 0.204 214 K C -0.574 176.113 176.600 0.146 0.000 1.056 214 K CA 0.072 56.444 56.287 0.141 0.000 1.069 214 K CB 1.331 33.890 32.500 0.098 0.000 0.888 214 K HN 0.400 nan 8.250 nan 0.000 0.546 215 V N 0.281 120.259 119.914 0.107 0.000 2.969 215 V HA 0.683 4.804 4.120 0.001 0.000 0.304 215 V C -1.884 174.263 176.094 0.088 0.000 1.192 215 V CA -0.806 61.558 62.300 0.106 0.000 0.962 215 V CB 1.966 33.877 31.823 0.147 0.000 1.045 215 V HN 0.102 nan 8.190 nan 0.000 0.428 216 A N 6.304 129.173 122.820 0.083 0.000 2.324 216 A HA 0.896 5.216 4.320 0.001 0.000 0.330 216 A C -1.063 176.546 177.584 0.041 0.000 1.165 216 A CA -0.637 51.441 52.037 0.068 0.000 0.813 216 A CB 1.087 20.135 19.000 0.080 0.000 1.197 216 A HN 0.911 nan 8.150 nan 0.000 0.484 217 L N 2.998 124.209 121.223 -0.020 0.000 2.294 217 L HA 0.472 4.812 4.340 0.001 0.000 0.283 217 L C -0.996 175.650 176.870 -0.374 0.000 1.015 217 L CA -0.660 54.056 54.840 -0.207 0.000 0.831 217 L CB 1.455 43.452 42.059 -0.103 0.000 1.217 217 L HN 0.410 nan 8.230 nan 0.000 0.420 218 V N 3.627 123.253 119.914 -0.479 0.000 2.448 218 V HA 0.496 4.617 4.120 0.001 0.000 0.295 218 V C -0.611 175.199 176.094 -0.473 0.000 1.025 218 V CA -0.417 61.672 62.300 -0.351 0.000 0.859 218 V CB 1.662 33.393 31.823 -0.153 0.000 0.988 218 V HN 0.342 nan 8.190 nan 0.000 0.431 219 F N 2.046 122.032 119.950 0.059 0.000 2.507 219 F HA 0.762 5.289 4.527 0.000 0.000 0.325 219 F C 0.710 176.529 175.800 0.032 0.000 1.116 219 F CA -1.008 57.028 58.000 0.059 0.000 0.930 219 F CB 2.421 41.445 39.000 0.039 0.000 1.146 219 F HN 0.517 nan 8.300 nan 0.000 0.447 220 G N 3.288 112.233 108.800 0.243 0.000 4.566 220 G HA2 0.250 4.210 3.960 0.001 0.000 0.307 220 G HA3 0.250 4.210 3.960 0.001 0.000 0.307 220 G C -0.557 174.413 174.900 0.118 0.000 1.383 220 G CA -0.493 44.688 45.100 0.135 0.000 0.910 220 G HN 0.321 nan 8.290 nan 0.000 0.538 221 Q N 0.770 120.635 119.800 0.108 0.000 2.524 221 Q HA 0.062 4.403 4.340 0.001 0.000 0.246 221 Q C 2.087 178.105 176.000 0.030 0.000 1.063 221 Q CA -0.138 55.700 55.803 0.059 0.000 0.945 221 Q CB 0.814 29.551 28.738 -0.000 0.000 1.292 221 Q HN 0.716 nan 8.270 nan 0.000 0.518 222 M N 0.430 120.039 119.600 0.014 0.000 2.213 222 M HA -0.205 4.276 4.480 0.001 0.000 0.263 222 M C 1.341 177.637 176.300 -0.006 0.000 1.062 222 M CA 2.158 57.457 55.300 -0.001 0.000 1.105 222 M CB -0.626 31.967 32.600 -0.012 0.000 1.385 222 M HN 0.556 nan 8.290 nan 0.000 0.417 223 N N 0.911 119.606 118.700 -0.009 0.000 2.192 223 N HA -0.157 4.583 4.740 0.001 0.000 0.188 223 N C 0.129 175.635 175.510 -0.006 0.000 1.013 223 N CA 1.335 54.378 53.050 -0.011 0.000 0.863 223 N CB -0.804 37.673 38.487 -0.017 0.000 0.990 223 N HN 0.517 nan 8.380 nan 0.000 0.430 224 E N 1.983 122.184 120.200 0.001 0.000 2.392 224 E HA 0.224 4.574 4.350 0.001 0.000 0.264 224 E C -1.966 174.634 176.600 0.000 0.000 1.024 224 E CA -1.674 54.729 56.400 0.005 0.000 0.903 224 E CB 0.296 30.007 29.700 0.018 0.000 0.963 224 E HN 0.274 nan 8.360 nan 0.000 0.432 225 P HA -0.052 nan 4.420 nan 0.000 0.272 225 P C -1.731 175.564 177.300 -0.009 0.000 1.248 225 P CA -0.662 62.434 63.100 -0.007 0.000 0.799 225 P CB -0.068 31.628 31.700 -0.005 0.000 0.997 226 P HA -0.178 nan 4.420 nan 0.000 0.216 226 P C 1.531 178.818 177.300 -0.022 0.000 1.153 226 P CA 2.059 65.141 63.100 -0.030 0.000 0.848 226 P CB -0.675 31.002 31.700 -0.039 0.000 0.787 227 G N 0.674 109.467 108.800 -0.012 0.000 2.469 227 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 227 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 227 G C 1.840 176.748 174.900 0.014 0.000 1.150 227 G CA 1.375 46.475 45.100 -0.000 0.000 0.763 227 G HN 0.394 nan 8.290 nan 0.000 0.561 228 A N 0.654 123.483 122.820 0.014 0.000 1.872 228 A HA 0.073 4.394 4.320 0.001 0.000 0.214 228 A C 2.391 179.996 177.584 0.035 0.000 1.187 228 A CA 1.342 53.393 52.037 0.024 0.000 0.614 228 A CB -0.346 18.668 19.000 0.023 0.000 0.826 228 A HN 0.336 nan 8.150 nan 0.000 0.442 229 R N -0.418 120.097 120.500 0.025 0.000 2.293 229 R HA -0.041 4.299 4.340 0.001 0.000 0.219 229 R C 1.937 178.275 176.300 0.062 0.000 1.091 229 R CA 0.858 56.978 56.100 0.033 0.000 1.004 229 R CB -0.281 30.019 30.300 0.000 0.000 0.865 229 R HN 0.532 nan 8.270 nan 0.000 0.469 230 A N 0.102 122.955 122.820 0.056 0.000 2.063 230 A HA 0.068 4.388 4.320 0.001 0.000 0.211 230 A C 1.800 179.509 177.584 0.210 0.000 1.177 230 A CA 0.358 52.455 52.037 0.100 0.000 0.759 230 A CB 0.277 19.268 19.000 -0.014 0.000 0.857 230 A HN 0.016 nan 8.150 nan 0.000 0.468 231 R N -1.149 119.415 120.500 0.108 0.000 2.206 231 R HA 0.134 4.474 4.340 0.001 0.000 0.198 231 R C 1.837 178.146 176.300 0.015 0.000 0.986 231 R CA 0.869 57.006 56.100 0.061 0.000 1.029 231 R CB -1.229 29.087 30.300 0.027 0.000 0.966 231 R HN 0.285 nan 8.270 nan 0.000 0.487 232 V N 0.962 120.895 119.914 0.031 0.000 2.317 232 V HA -0.312 3.808 4.120 0.001 0.000 0.251 232 V C 1.905 177.983 176.094 -0.028 0.000 1.065 232 V CA 2.420 64.726 62.300 0.010 0.000 1.049 232 V CB -0.640 31.209 31.823 0.043 0.000 0.651 232 V HN 0.355 nan 8.190 nan 0.000 0.450 233 A N -0.506 122.295 122.820 -0.031 0.000 1.940 233 A HA -0.147 4.173 4.320 0.001 0.000 0.219 233 A C 2.152 179.635 177.584 -0.168 0.000 1.176 233 A CA 2.190 54.151 52.037 -0.125 0.000 0.631 233 A CB -0.570 18.291 19.000 -0.232 0.000 0.814 233 A HN 0.638 nan 8.150 nan 0.000 0.446 234 L N -1.138 119.994 121.223 -0.150 0.000 2.109 234 L HA -0.118 4.222 4.340 0.001 0.000 0.207 234 L C 2.773 179.553 176.870 -0.150 0.000 1.086 234 L CA 1.548 56.283 54.840 -0.174 0.000 0.760 234 L CB -1.043 40.894 42.059 -0.203 0.000 0.910 234 L HN 0.319 nan 8.230 nan 0.000 0.437 235 T N 0.083 114.565 114.554 -0.120 0.000 2.622 235 T HA -0.175 4.175 4.350 0.001 0.000 0.266 235 T C 1.879 176.522 174.700 -0.094 0.000 1.047 235 T CA 1.650 63.689 62.100 -0.102 0.000 1.159 235 T CB -0.756 68.068 68.868 -0.073 0.000 0.863 235 T HN 0.547 nan 8.240 nan 0.000 0.422 236 G N 1.192 109.940 108.800 -0.087 0.000 2.475 236 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 236 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 236 G C 1.521 176.377 174.900 -0.074 0.000 1.125 236 G CA 0.897 45.950 45.100 -0.078 0.000 0.755 236 G HN 0.408 nan 8.290 nan 0.000 0.565 237 L N 0.826 121.989 121.223 -0.099 0.000 2.109 237 L HA 0.100 4.440 4.340 0.001 0.000 0.207 237 L C 2.831 179.656 176.870 -0.074 0.000 1.086 237 L CA 2.304 57.087 54.840 -0.095 0.000 0.760 237 L CB -0.939 41.042 42.059 -0.129 0.000 0.910 237 L HN 0.152 nan 8.230 nan 0.000 0.437 238 T N 0.189 114.689 114.554 -0.091 0.000 2.720 238 T HA -0.165 4.185 4.350 0.001 0.000 0.268 238 T C 1.988 176.633 174.700 -0.092 0.000 1.037 238 T CA 2.047 64.093 62.100 -0.091 0.000 1.144 238 T CB -0.339 68.461 68.868 -0.114 0.000 0.864 238 T HN 0.338 nan 8.240 nan 0.000 0.444 239 I N 1.287 121.803 120.570 -0.090 0.000 2.226 239 I HA -0.154 4.017 4.170 0.001 0.000 0.245 239 I C 2.898 178.991 176.117 -0.040 0.000 1.100 239 I CA 1.187 62.425 61.300 -0.103 0.000 1.374 239 I CB -0.476 37.509 38.000 -0.025 0.000 1.057 239 I HN 0.205 nan 8.210 nan 0.000 0.413 240 A N 1.187 124.047 122.820 0.066 0.000 1.970 240 A HA -0.164 4.156 4.320 0.001 0.000 0.216 240 A C 2.176 179.831 177.584 0.119 0.000 1.170 240 A CA 1.236 53.383 52.037 0.184 0.000 0.645 240 A CB -0.557 18.500 19.000 0.096 0.000 0.816 240 A HN 0.627 nan 8.150 nan 0.000 0.447 241 E N -1.877 118.341 120.200 0.031 0.000 2.347 241 E HA -0.197 4.153 4.350 0.001 0.000 0.196 241 E C 1.673 178.282 176.600 0.015 0.000 1.008 241 E CA 0.934 57.345 56.400 0.019 0.000 0.852 241 E CB -0.453 29.243 29.700 -0.006 0.000 0.783 241 E HN 0.649 nan 8.360 nan 0.000 0.505 242 Y N 1.246 121.424 120.300 -0.203 0.000 2.133 242 Y HA -0.133 4.417 4.550 0.000 0.000 0.287 242 Y C 1.570 177.318 175.900 -0.254 0.000 1.134 242 Y CA 1.431 59.342 58.100 -0.315 0.000 1.133 242 Y CB -0.382 37.745 38.460 -0.554 0.000 0.987 242 Y HN -0.041 nan 8.280 nan 0.000 0.502 243 F N 0.143 120.098 119.950 0.008 0.000 2.494 243 F HA -0.075 4.452 4.527 0.000 0.000 0.298 243 F C 2.542 178.342 175.800 0.000 0.000 1.106 243 F CA 1.361 59.351 58.000 -0.017 0.000 1.452 243 F CB -0.609 38.459 39.000 0.113 0.000 1.085 243 F HN 0.034 nan 8.300 nan 0.000 0.569 244 R N 0.256 120.824 120.500 0.113 0.000 2.066 244 R HA -0.067 4.273 4.340 0.001 0.000 0.224 244 R C 1.544 177.845 176.300 0.001 0.000 1.122 244 R CA 1.537 57.678 56.100 0.069 0.000 0.974 244 R CB -0.062 30.268 30.300 0.050 0.000 0.871 244 R HN 0.138 nan 8.270 nan 0.000 0.435 245 D N -0.214 120.154 120.400 -0.053 0.000 2.320 245 D HA -0.101 4.540 4.640 0.001 0.000 0.228 245 D C 1.715 177.939 176.300 -0.128 0.000 0.978 245 D CA 0.708 54.666 54.000 -0.071 0.000 0.905 245 D CB -0.198 40.567 40.800 -0.058 0.000 1.051 245 D HN 0.110 nan 8.370 nan 0.000 0.471 246 E N 1.299 121.338 120.200 -0.269 0.000 2.038 246 E HA -0.178 4.172 4.350 0.001 0.000 0.195 246 E C 1.792 178.236 176.600 -0.260 0.000 1.000 246 E CA 1.427 57.595 56.400 -0.386 0.000 0.803 246 E CB 0.077 29.195 29.700 -0.970 0.000 0.750 246 E HN 0.102 nan 8.360 nan 0.000 0.448 247 E N -0.942 119.131 120.200 -0.212 0.000 2.250 247 E HA 0.088 4.438 4.350 0.001 0.000 0.192 247 E C 0.927 177.552 176.600 0.042 0.000 0.986 247 E CA 0.779 57.177 56.400 -0.004 0.000 0.849 247 E CB -0.060 29.766 29.700 0.211 0.000 0.797 247 E HN 0.368 nan 8.360 nan 0.000 0.482 248 G N 2.642 111.458 108.800 0.027 0.000 2.350 248 G HA2 -0.283 3.678 3.960 0.001 0.000 0.298 248 G HA3 -0.283 3.678 3.960 0.001 0.000 0.298 248 G C -0.033 174.895 174.900 0.047 0.000 1.037 248 G CA 0.924 46.040 45.100 0.027 0.000 1.074 248 G HN 0.218 nan 8.290 nan 0.000 0.511 249 Q N -0.322 119.537 119.800 0.098 0.000 2.394 249 Q HA 0.542 4.883 4.340 0.001 0.000 0.273 249 Q C -0.475 175.566 176.000 0.069 0.000 1.089 249 Q CA -0.852 54.986 55.803 0.057 0.000 0.812 249 Q CB 1.186 29.957 28.738 0.055 0.000 1.353 249 Q HN 0.178 nan 8.270 nan 0.000 0.438 250 D N 1.016 121.419 120.400 0.005 0.000 2.493 250 D HA 0.212 4.852 4.640 0.001 0.000 0.240 250 D C -0.842 175.566 176.300 0.180 0.000 1.142 250 D CA 0.575 54.619 54.000 0.073 0.000 0.872 250 D CB 0.544 41.348 40.800 0.007 0.000 1.173 250 D HN 0.240 nan 8.370 nan 0.000 0.467 251 V N 3.175 123.182 119.914 0.154 0.000 2.789 251 V HA 0.351 4.472 4.120 0.001 0.000 0.311 251 V C -0.002 176.032 176.094 -0.100 0.000 1.073 251 V CA -0.914 61.438 62.300 0.087 0.000 0.921 251 V CB 1.963 33.866 31.823 0.133 0.000 1.009 251 V HN 0.310 nan 8.190 nan 0.000 0.426 252 L N 4.753 125.805 121.223 -0.285 0.000 2.262 252 L HA 0.498 4.839 4.340 0.001 0.000 0.288 252 L C -0.731 175.738 176.870 -0.669 0.000 1.035 252 L CA -0.511 53.983 54.840 -0.578 0.000 0.820 252 L CB 1.376 42.975 42.059 -0.766 0.000 1.204 252 L HN 0.442 nan 8.230 nan 0.000 0.424 253 L N 4.806 125.676 121.223 -0.589 0.000 2.259 253 L HA 0.470 4.810 4.340 0.001 0.000 0.288 253 L C -0.928 175.621 176.870 -0.535 0.000 1.051 253 L CA 0.183 54.763 54.840 -0.433 0.000 0.824 253 L CB 0.205 42.123 42.059 -0.234 0.000 1.206 253 L HN 0.166 nan 8.230 nan 0.000 0.429 254 F N 6.253 126.081 119.950 -0.203 0.000 2.385 254 F HA 0.524 5.051 4.527 0.000 0.000 0.360 254 F C 0.192 175.651 175.800 -0.569 0.000 1.122 254 F CA -0.509 57.275 58.000 -0.361 0.000 1.090 254 F CB 0.757 39.526 39.000 -0.384 0.000 1.150 254 F HN 0.236 nan 8.300 nan 0.000 0.472 255 I N 3.389 123.809 120.570 -0.250 0.000 2.465 255 I HA 0.399 4.569 4.170 0.001 0.000 0.291 255 I C -1.042 174.956 176.117 -0.198 0.000 1.014 255 I CA -0.551 60.593 61.300 -0.261 0.000 1.093 255 I CB 2.113 40.008 38.000 -0.177 0.000 1.267 255 I HN 0.449 nan 8.210 nan 0.000 0.431 256 D N 5.037 125.349 120.400 -0.147 0.000 2.548 256 D HA 0.193 4.834 4.640 0.001 0.000 0.214 256 D C -1.727 174.618 176.300 0.075 0.000 1.345 256 D CA -0.413 53.579 54.000 -0.013 0.000 0.945 256 D CB 1.657 42.479 40.800 0.038 0.000 1.499 256 D HN 0.504 nan 8.370 nan 0.000 0.579 257 N N 2.927 121.671 118.700 0.073 0.000 2.361 257 N HA 0.333 5.073 4.740 0.001 0.000 0.302 257 N C 0.834 176.384 175.510 0.066 0.000 1.074 257 N CA -0.633 52.456 53.050 0.066 0.000 0.850 257 N CB 1.639 40.194 38.487 0.114 0.000 1.228 257 N HN 0.367 nan 8.380 nan 0.000 0.491 258 I N 2.929 123.521 120.570 0.038 0.000 2.676 258 I HA 0.040 4.210 4.170 0.001 0.000 0.259 258 I C 1.348 177.551 176.117 0.145 0.000 1.194 258 I CA 0.932 62.252 61.300 0.034 0.000 1.473 258 I CB -0.491 37.480 38.000 -0.047 0.000 1.096 258 I HN 0.687 nan 8.210 nan 0.000 0.443 259 F N 1.770 121.740 119.950 0.033 0.000 2.134 259 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 259 F C 2.313 178.176 175.800 0.105 0.000 1.097 259 F CA 1.497 59.542 58.000 0.074 0.000 1.264 259 F CB -0.511 38.562 39.000 0.122 0.000 1.001 259 F HN -0.023 nan 8.300 nan 0.000 0.479 260 R N 0.015 120.451 120.500 -0.107 0.000 2.226 260 R HA -0.244 4.096 4.340 0.001 0.000 0.246 260 R C 2.124 178.329 176.300 -0.158 0.000 1.161 260 R CA 1.376 57.346 56.100 -0.217 0.000 0.997 260 R CB -1.911 28.364 30.300 -0.040 0.000 0.870 260 R HN 0.473 nan 8.270 nan 0.000 0.465 261 F N 1.372 121.212 119.950 -0.184 0.000 2.102 261 F HA -0.171 4.356 4.527 0.000 0.000 0.298 261 F C 1.910 177.623 175.800 -0.145 0.000 1.105 261 F CA 1.747 59.670 58.000 -0.129 0.000 1.239 261 F CB -0.384 38.563 39.000 -0.087 0.000 0.991 261 F HN -0.094 nan 8.300 nan 0.000 0.474 262 T N -0.169 114.179 114.554 -0.343 0.000 2.937 262 T HA -0.142 4.208 4.350 0.001 0.000 0.260 262 T C 1.861 176.363 174.700 -0.329 0.000 1.051 262 T CA 1.106 62.970 62.100 -0.394 0.000 1.141 262 T CB -0.263 68.489 68.868 -0.192 0.000 0.879 262 T HN 0.400 nan 8.240 nan 0.000 0.459 263 Q N 1.001 120.490 119.800 -0.518 0.000 2.096 263 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 263 Q C 2.410 178.273 176.000 -0.228 0.000 0.982 263 Q CA 1.615 57.167 55.803 -0.419 0.000 0.850 263 Q CB -0.286 28.021 28.738 -0.719 0.000 0.901 263 Q HN 0.529 nan 8.270 nan 0.000 0.422 264 A N -0.046 122.630 122.820 -0.240 0.000 2.015 264 A HA -0.038 4.283 4.320 0.001 0.000 0.219 264 A C 2.130 179.618 177.584 -0.160 0.000 1.163 264 A CA 1.366 53.307 52.037 -0.160 0.000 0.646 264 A CB -0.791 18.135 19.000 -0.124 0.000 0.806 264 A HN 0.584 nan 8.150 nan 0.000 0.448 265 G N -0.453 108.208 108.800 -0.232 0.000 2.551 265 G HA2 0.004 3.964 3.960 0.001 0.000 0.216 265 G HA3 0.004 3.964 3.960 0.001 0.000 0.216 265 G C 1.693 176.524 174.900 -0.115 0.000 1.137 265 G CA 1.241 46.217 45.100 -0.208 0.000 0.798 265 G HN 0.796 nan 8.290 nan 0.000 0.536 266 S N -0.009 115.645 115.700 -0.076 0.000 2.562 266 S HA 0.105 4.575 4.470 0.001 0.000 0.221 266 S C 1.682 176.256 174.600 -0.043 0.000 0.975 266 S CA 0.784 58.976 58.200 -0.014 0.000 0.918 266 S CB 0.053 63.298 63.200 0.075 0.000 0.772 266 S HN 0.512 nan 8.310 nan 0.000 0.531 267 E N 1.025 121.191 120.200 -0.058 0.000 2.170 267 E HA -0.020 4.330 4.350 0.001 0.000 0.191 267 E C 2.109 178.683 176.600 -0.043 0.000 0.981 267 E CA 1.188 57.557 56.400 -0.050 0.000 0.830 267 E CB -0.007 29.662 29.700 -0.051 0.000 0.775 267 E HN 0.635 nan 8.360 nan 0.000 0.470 268 V N -1.070 118.815 119.914 -0.047 0.000 3.125 268 V HA -0.039 4.082 4.120 0.001 0.000 0.249 268 V C 2.298 178.372 176.094 -0.035 0.000 1.113 268 V CA 0.923 63.199 62.300 -0.039 0.000 1.106 268 V CB 0.068 31.865 31.823 -0.043 0.000 0.768 268 V HN 0.197 nan 8.190 nan 0.000 0.468 269 S N 2.276 117.955 115.700 -0.036 0.000 2.407 269 S HA -0.203 4.267 4.470 0.001 0.000 0.235 269 S C 2.067 176.655 174.600 -0.020 0.000 1.036 269 S CA 1.869 60.054 58.200 -0.026 0.000 1.013 269 S CB -0.861 62.329 63.200 -0.017 0.000 0.820 269 S HN 1.137 nan 8.310 nan 0.000 0.476 270 A N 2.103 124.910 122.820 -0.023 0.000 1.873 270 A HA 0.195 4.516 4.320 0.001 0.000 0.215 270 A C 2.359 179.932 177.584 -0.018 0.000 1.186 270 A CA 1.426 53.451 52.037 -0.020 0.000 0.616 270 A CB -0.818 18.168 19.000 -0.024 0.000 0.823 270 A HN 0.562 nan 8.150 nan 0.000 0.442 271 L N -0.480 120.731 121.223 -0.020 0.000 2.217 271 L HA -0.072 4.268 4.340 0.001 0.000 0.211 271 L C 2.210 179.070 176.870 -0.017 0.000 1.107 271 L CA 0.504 55.333 54.840 -0.018 0.000 0.783 271 L CB -0.521 41.527 42.059 -0.019 0.000 0.919 271 L HN 0.318 nan 8.230 nan 0.000 0.442 272 L N 0.164 121.376 121.223 -0.018 0.000 2.362 272 L HA -0.031 4.309 4.340 0.001 0.000 0.219 272 L C 1.422 178.285 176.870 -0.012 0.000 1.134 272 L CA 0.839 55.669 54.840 -0.017 0.000 0.807 272 L CB -0.692 41.354 42.059 -0.021 0.000 0.927 272 L HN 0.554 nan 8.230 nan 0.000 0.447 273 G N 0.524 109.318 108.800 -0.011 0.000 2.140 273 G HA2 -0.234 3.726 3.960 0.001 0.000 0.211 273 G HA3 -0.234 3.726 3.960 0.001 0.000 0.211 273 G C 0.063 174.960 174.900 -0.005 0.000 1.013 273 G CA -0.421 44.675 45.100 -0.007 0.000 0.705 273 G HN 0.336 nan 8.290 nan 0.000 0.508 274 R N -0.566 119.931 120.500 -0.006 0.000 2.457 274 R HA 0.616 4.956 4.340 0.001 0.000 0.284 274 R C 0.664 176.964 176.300 0.001 0.000 1.024 274 R CA -0.809 55.291 56.100 -0.001 0.000 1.025 274 R CB 1.209 31.508 30.300 -0.002 0.000 1.063 274 R HN 0.265 nan 8.270 nan 0.000 0.493 275 I N 5.005 125.578 120.570 0.005 0.000 2.421 275 I HA 0.094 4.264 4.170 0.001 0.000 0.291 275 I C -1.615 174.508 176.117 0.011 0.000 1.089 275 I CA -1.835 59.468 61.300 0.006 0.000 1.354 275 I CB 0.559 38.564 38.000 0.009 0.000 1.413 275 I HN 0.285 nan 8.210 nan 0.000 0.513 276 P HA -0.019 nan 4.420 nan 0.000 0.263 276 P C -0.101 177.212 177.300 0.023 0.000 1.195 276 P CA 0.172 63.278 63.100 0.011 0.000 0.762 276 P CB 0.980 32.677 31.700 -0.005 0.000 0.799 277 S N 2.347 118.073 115.700 0.044 0.000 2.641 277 S HA 0.496 4.966 4.470 0.001 0.000 0.261 277 S C 0.305 174.942 174.600 0.061 0.000 1.257 277 S CA -0.357 57.878 58.200 0.058 0.000 0.983 277 S CB 0.181 63.430 63.200 0.081 0.000 0.990 277 S HN 0.602 nan 8.310 nan 0.000 0.572 278 A N 0.617 123.479 122.820 0.069 0.000 2.531 278 A HA 0.437 4.757 4.320 0.001 0.000 0.236 278 A C 1.117 178.756 177.584 0.092 0.000 1.062 278 A CA 0.347 52.424 52.037 0.066 0.000 0.760 278 A CB -0.571 18.468 19.000 0.065 0.000 0.995 278 A HN 1.669 nan 8.150 nan 0.000 0.501 279 V N 1.096 121.036 119.914 0.043 0.000 1.951 279 V HA -0.301 3.820 4.120 0.001 0.000 0.110 279 V C 1.895 177.894 176.094 -0.158 0.000 1.487 279 V CA 1.986 64.286 62.300 0.000 0.000 2.150 279 V CB -2.055 29.852 31.823 0.141 0.000 1.501 279 V HN 2.933 nan 8.190 nan 0.000 1.002 280 G N -2.411 106.328 108.800 -0.102 0.000 2.232 280 G HA2 -0.288 3.672 3.960 0.001 0.000 0.226 280 G HA3 -0.288 3.672 3.960 0.001 0.000 0.226 280 G C -0.145 174.677 174.900 -0.130 0.000 0.996 280 G CA 0.140 45.151 45.100 -0.148 0.000 0.626 280 G HN 0.885 nan 8.290 nan 0.000 0.509 281 Y N 3.221 123.537 120.300 0.027 0.000 2.497 281 Y HA 0.375 4.924 4.550 -0.000 0.000 0.334 281 Y C 1.421 177.324 175.900 0.005 0.000 1.199 281 Y CA -0.076 58.035 58.100 0.019 0.000 1.425 281 Y CB 0.526 39.011 38.460 0.042 0.000 1.291 281 Y HN 0.439 nan 8.280 nan 0.000 0.562 282 Q N 4.366 124.266 119.800 0.166 0.000 2.386 282 Q HA 0.028 4.369 4.340 0.001 0.000 0.282 282 Q C -2.278 173.765 176.000 0.072 0.000 1.050 282 Q CA -1.424 54.424 55.803 0.075 0.000 0.918 282 Q CB 0.362 29.119 28.738 0.030 0.000 1.266 282 Q HN 0.397 nan 8.270 nan 0.000 0.423 283 P HA -0.133 nan 4.420 nan 0.000 0.216 283 P C 0.620 177.942 177.300 0.037 0.000 1.153 283 P CA 2.143 65.269 63.100 0.043 0.000 0.858 283 P CB -0.102 31.615 31.700 0.029 0.000 0.789 284 T N -3.322 111.248 114.554 0.027 0.000 3.341 284 T HA 0.205 4.556 4.350 0.001 0.000 0.234 284 T C 1.152 175.865 174.700 0.022 0.000 0.890 284 T CA -0.287 61.827 62.100 0.023 0.000 0.952 284 T CB -1.155 67.722 68.868 0.015 0.000 1.146 284 T HN -0.037 nan 8.240 nan 0.000 0.591 285 L N 0.705 121.944 121.223 0.026 0.000 2.072 285 L HA 0.147 4.488 4.340 0.001 0.000 0.205 285 L C 2.760 179.654 176.870 0.040 0.000 1.079 285 L CA 1.367 56.214 54.840 0.012 0.000 0.752 285 L CB -0.586 41.467 42.059 -0.010 0.000 0.906 285 L HN 0.511 nan 8.230 nan 0.000 0.436 286 A N -0.452 122.400 122.820 0.053 0.000 1.933 286 A HA -0.207 4.113 4.320 0.001 0.000 0.218 286 A C 2.322 179.964 177.584 0.097 0.000 1.175 286 A CA 2.187 54.273 52.037 0.083 0.000 0.628 286 A CB -1.080 17.963 19.000 0.070 0.000 0.814 286 A HN 0.620 nan 8.150 nan 0.000 0.444 287 T N -1.890 112.707 114.554 0.072 0.000 2.643 287 T HA -0.153 4.197 4.350 0.001 0.000 0.256 287 T C 1.502 176.251 174.700 0.082 0.000 1.061 287 T CA 1.349 63.490 62.100 0.068 0.000 1.163 287 T CB -0.743 68.155 68.868 0.050 0.000 0.865 287 T HN 0.350 nan 8.240 nan 0.000 0.407 288 D N 1.272 121.725 120.400 0.088 0.000 2.160 288 D HA -0.173 4.467 4.640 0.001 0.000 0.189 288 D C 2.002 178.450 176.300 0.247 0.000 1.003 288 D CA 1.849 55.941 54.000 0.154 0.000 0.846 288 D CB -0.514 40.336 40.800 0.083 0.000 0.949 288 D HN 0.388 nan 8.370 nan 0.000 0.446 289 M N 0.840 120.572 119.600 0.221 0.000 2.267 289 M HA -0.044 4.436 4.480 0.001 0.000 0.263 289 M C 1.847 178.138 176.300 -0.016 0.000 1.063 289 M CA 1.847 57.260 55.300 0.188 0.000 1.090 289 M CB -0.422 32.275 32.600 0.161 0.000 1.392 289 M HN 0.008 nan 8.290 nan 0.000 0.422 290 G N 0.081 108.890 108.800 0.015 0.000 2.434 290 G HA2 -0.147 3.813 3.960 0.001 0.000 0.214 290 G HA3 -0.147 3.813 3.960 0.001 0.000 0.214 290 G C 1.234 176.074 174.900 -0.100 0.000 1.202 290 G CA 0.899 45.961 45.100 -0.063 0.000 0.788 290 G HN 0.443 nan 8.290 nan 0.000 0.539 291 L N 0.048 121.261 121.223 -0.017 0.000 2.187 291 L HA -0.010 4.330 4.340 0.001 0.000 0.213 291 L C 2.575 179.400 176.870 -0.075 0.000 1.100 291 L CA 0.889 55.719 54.840 -0.017 0.000 0.765 291 L CB -0.778 41.303 42.059 0.036 0.000 0.904 291 L HN 0.224 nan 8.230 nan 0.000 0.437 292 L N -1.193 119.952 121.223 -0.130 0.000 2.007 292 L HA -0.139 4.202 4.340 0.001 0.000 0.205 292 L C 2.509 179.236 176.870 -0.238 0.000 1.073 292 L CA 1.639 56.331 54.840 -0.246 0.000 0.744 292 L CB -0.689 41.096 42.059 -0.458 0.000 0.898 292 L HN 0.227 nan 8.230 nan 0.000 0.435 293 Q N -0.106 119.519 119.800 -0.291 0.000 2.170 293 Q HA -0.178 4.162 4.340 0.001 0.000 0.203 293 Q C 2.052 177.940 176.000 -0.188 0.000 0.976 293 Q CA 1.229 56.855 55.803 -0.294 0.000 0.858 293 Q CB -0.373 28.029 28.738 -0.560 0.000 0.907 293 Q HN 0.566 nan 8.270 nan 0.000 0.433 294 E N 0.400 120.502 120.200 -0.163 0.000 2.268 294 E HA -0.102 4.248 4.350 0.001 0.000 0.195 294 E C 1.843 178.417 176.600 -0.043 0.000 0.995 294 E CA 0.550 56.915 56.400 -0.060 0.000 0.836 294 E CB -0.010 29.676 29.700 -0.023 0.000 0.763 294 E HN 0.355 nan 8.360 nan 0.000 0.491 295 R N 0.012 120.470 120.500 -0.071 0.000 2.173 295 R HA 0.183 4.523 4.340 0.001 0.000 0.208 295 R C 0.947 177.210 176.300 -0.063 0.000 1.035 295 R CA 0.230 56.295 56.100 -0.058 0.000 1.004 295 R CB 0.239 30.497 30.300 -0.071 0.000 0.917 295 R HN 0.065 nan 8.270 nan 0.000 0.462 296 I N 1.775 122.295 120.570 -0.084 0.000 2.224 296 I HA 0.086 4.256 4.170 0.001 0.000 0.293 296 I C -0.037 176.048 176.117 -0.053 0.000 1.155 296 I CA 0.131 61.383 61.300 -0.080 0.000 1.297 296 I CB 0.604 38.537 38.000 -0.112 0.000 1.487 296 I HN -0.039 nan 8.210 nan 0.000 0.564 297 T N 2.463 116.996 114.554 -0.034 0.000 2.769 297 T HA 0.313 4.663 4.350 0.001 0.000 0.306 297 T C -0.546 174.147 174.700 -0.011 0.000 1.400 297 T CA -0.324 61.767 62.100 -0.015 0.000 1.007 297 T CB 1.856 70.724 68.868 -0.000 0.000 1.392 297 T HN 0.240 nan 8.240 nan 0.000 0.500 298 T N 2.684 117.235 114.554 -0.005 0.000 2.845 298 T HA 0.629 4.979 4.350 0.001 0.000 0.288 298 T C 0.313 175.008 174.700 -0.009 0.000 0.980 298 T CA -0.387 61.710 62.100 -0.004 0.000 1.071 298 T CB 0.942 69.809 68.868 -0.001 0.000 0.941 298 T HN 0.848 nan 8.240 nan 0.000 0.487 299 T N -0.347 114.201 114.554 -0.010 0.000 2.807 299 T HA 0.470 4.820 4.350 0.001 0.000 0.277 299 T C 0.943 175.630 174.700 -0.020 0.000 1.006 299 T CA -1.003 61.087 62.100 -0.017 0.000 1.006 299 T CB 1.439 70.298 68.868 -0.014 0.000 1.274 299 T HN 0.414 nan 8.240 nan 0.000 0.569 300 K N -0.161 120.223 120.400 -0.026 0.000 2.555 300 K HA 0.103 4.424 4.320 0.001 0.000 0.193 300 K C 1.484 178.072 176.600 -0.020 0.000 1.032 300 K CA 0.576 56.847 56.287 -0.027 0.000 1.004 300 K CB -0.061 32.419 32.500 -0.033 0.000 0.804 300 K HN 0.491 nan 8.250 nan 0.000 0.496 301 K N -1.054 119.336 120.400 -0.017 0.000 2.335 301 K HA 0.153 4.473 4.320 0.001 0.000 0.195 301 K C 0.569 177.164 176.600 -0.007 0.000 1.058 301 K CA 0.377 56.655 56.287 -0.015 0.000 0.988 301 K CB 1.230 33.718 32.500 -0.019 0.000 0.880 301 K HN 0.136 nan 8.250 nan 0.000 0.513 302 G N -0.087 108.712 108.800 -0.001 0.000 2.576 302 G HA2 0.339 4.299 3.960 0.001 0.000 0.290 302 G HA3 0.339 4.299 3.960 0.001 0.000 0.290 302 G C -1.446 173.462 174.900 0.013 0.000 1.442 302 G CA -0.566 44.541 45.100 0.012 0.000 0.792 302 G HN -0.079 nan 8.290 nan 0.000 0.491 303 S N -1.176 114.536 115.700 0.021 0.000 2.501 303 S HA 0.788 5.258 4.470 0.001 0.000 0.301 303 S C -0.553 174.065 174.600 0.029 0.000 1.096 303 S CA -0.600 57.611 58.200 0.019 0.000 1.063 303 S CB 1.874 65.084 63.200 0.016 0.000 1.042 303 S HN 0.770 nan 8.310 nan 0.000 0.494 304 V N 2.452 122.372 119.914 0.010 0.000 2.623 304 V HA 0.426 4.546 4.120 0.001 0.000 0.304 304 V C -0.478 175.588 176.094 -0.045 0.000 1.054 304 V CA -0.710 61.582 62.300 -0.013 0.000 0.882 304 V CB 2.116 33.928 31.823 -0.019 0.000 1.002 304 V HN 0.910 nan 8.190 nan 0.000 0.424 305 T N 3.431 117.933 114.554 -0.086 0.000 2.743 305 T HA 0.440 4.790 4.350 0.001 0.000 0.292 305 T C 0.129 174.696 174.700 -0.221 0.000 0.972 305 T CA -0.358 61.673 62.100 -0.116 0.000 0.967 305 T CB 0.946 69.759 68.868 -0.092 0.000 0.926 305 T HN 0.825 nan 8.240 nan 0.000 0.459 306 S N 2.108 117.703 115.700 -0.176 0.000 2.437 306 S HA 0.582 5.053 4.470 0.001 0.000 0.305 306 S C -0.302 174.193 174.600 -0.175 0.000 1.109 306 S CA -0.818 57.255 58.200 -0.211 0.000 1.099 306 S CB 1.179 64.289 63.200 -0.150 0.000 1.004 306 S HN 0.381 nan 8.310 nan 0.000 0.475 307 V N 4.145 123.960 119.914 -0.165 0.000 2.239 307 V HA 0.315 4.435 4.120 0.001 0.000 0.267 307 V C -0.114 175.951 176.094 -0.048 0.000 1.056 307 V CA -0.448 61.821 62.300 -0.053 0.000 0.830 307 V CB 0.161 32.083 31.823 0.165 0.000 1.090 307 V HN 0.907 nan 8.190 nan 0.000 0.459 308 Q N 2.865 122.606 119.800 -0.099 0.000 2.274 308 Q HA 0.702 5.042 4.340 0.001 0.000 0.256 308 Q C 0.094 176.007 176.000 -0.145 0.000 0.927 308 Q CA -0.300 55.430 55.803 -0.121 0.000 0.939 308 Q CB 2.171 30.826 28.738 -0.138 0.000 1.201 308 Q HN 0.791 nan 8.270 nan 0.000 0.426 309 A N 2.788 125.535 122.820 -0.122 0.000 2.290 309 A HA 0.577 4.898 4.320 0.001 0.000 0.310 309 A C -0.503 176.975 177.584 -0.177 0.000 1.202 309 A CA -0.520 51.437 52.037 -0.134 0.000 0.837 309 A CB 0.798 19.775 19.000 -0.038 0.000 1.139 309 A HN 0.520 nan 8.150 nan 0.000 0.509 310 V N 2.749 122.459 119.914 -0.341 0.000 2.495 310 V HA 0.278 4.398 4.120 0.001 0.000 0.298 310 V C -0.637 175.341 176.094 -0.194 0.000 1.031 310 V CA -0.563 61.510 62.300 -0.378 0.000 0.871 310 V CB 1.324 32.551 31.823 -0.992 0.000 0.988 310 V HN 0.819 nan 8.190 nan 0.000 0.432 311 Y N 4.282 124.464 120.300 -0.197 0.000 2.299 311 Y HA 0.577 5.128 4.550 0.001 0.000 0.326 311 Y C -0.130 175.519 175.900 -0.419 0.000 1.164 311 Y CA -0.525 57.425 58.100 -0.250 0.000 1.234 311 Y CB 1.570 39.929 38.460 -0.167 0.000 1.219 311 Y HN 0.376 nan 8.280 nan 0.000 0.497 312 V N 8.534 127.875 119.914 -0.955 0.000 2.293 312 V HA 0.303 4.424 4.120 0.001 0.000 0.275 312 V C -2.360 173.185 176.094 -0.915 0.000 1.021 312 V CA -2.123 59.761 62.300 -0.694 0.000 0.815 312 V CB 0.746 32.393 31.823 -0.293 0.000 1.025 312 V HN 0.720 nan 8.190 nan 0.000 0.448 313 P HA 0.145 nan 4.420 nan 0.000 0.263 313 P C 0.666 177.859 177.300 -0.178 0.000 1.195 313 P CA 0.654 63.554 63.100 -0.335 0.000 0.762 313 P CB 0.690 32.344 31.700 -0.077 0.000 0.799 314 A N 4.225 126.985 122.820 -0.101 0.000 2.748 314 A HA -0.255 4.066 4.320 0.001 0.000 0.297 314 A C 0.873 178.413 177.584 -0.073 0.000 1.508 314 A CA 1.079 53.088 52.037 -0.048 0.000 0.799 314 A CB -2.460 16.536 19.000 -0.007 0.000 1.011 314 A HN 0.691 nan 8.150 nan 0.000 0.500 315 D N -1.578 118.743 120.400 -0.133 0.000 2.811 315 D HA -0.217 4.424 4.640 0.001 0.000 0.231 315 D C -0.166 176.094 176.300 -0.067 0.000 1.157 315 D CA 2.026 55.964 54.000 -0.103 0.000 0.716 315 D CB -1.110 39.656 40.800 -0.056 0.000 1.077 315 D HN 1.019 nan 8.370 nan 0.000 0.428 316 D N -0.108 120.249 120.400 -0.073 0.000 2.427 316 D HA 0.316 4.957 4.640 0.001 0.000 0.226 316 D C 1.429 177.724 176.300 -0.007 0.000 1.076 316 D CA -0.533 53.450 54.000 -0.028 0.000 0.849 316 D CB 0.630 41.425 40.800 -0.010 0.000 1.052 316 D HN 0.009 nan 8.370 nan 0.000 0.515 317 L N 2.637 123.872 121.223 0.021 0.000 2.478 317 L HA 0.026 4.366 4.340 0.001 0.000 0.223 317 L C 2.160 179.092 176.870 0.102 0.000 1.140 317 L CA 0.846 55.737 54.840 0.085 0.000 0.842 317 L CB -0.377 41.724 42.059 0.070 0.000 0.953 317 L HN 0.547 nan 8.230 nan 0.000 0.452 318 T N -4.804 109.783 114.554 0.055 0.000 3.113 318 T HA -0.051 4.300 4.350 0.001 0.000 0.256 318 T C 0.611 175.353 174.700 0.070 0.000 1.131 318 T CA -0.322 61.811 62.100 0.056 0.000 1.074 318 T CB -0.385 68.501 68.868 0.031 0.000 0.944 318 T HN 0.122 nan 8.240 nan 0.000 0.516 319 D N 2.816 123.257 120.400 0.069 0.000 2.493 319 D HA 0.113 4.754 4.640 0.001 0.000 0.240 319 D C -1.449 174.891 176.300 0.067 0.000 1.142 319 D CA -1.648 52.405 54.000 0.088 0.000 0.872 319 D CB 1.161 42.005 40.800 0.073 0.000 1.173 319 D HN 0.001 nan 8.370 nan 0.000 0.467 320 P HA -0.181 nan 4.420 nan 0.000 0.217 320 P C 0.666 177.909 177.300 -0.094 0.000 1.148 320 P CA 1.532 64.628 63.100 -0.006 0.000 0.828 320 P CB 0.087 31.787 31.700 0.001 0.000 0.783 321 A N 0.645 123.346 122.820 -0.198 0.000 1.835 321 A HA -0.117 4.204 4.320 0.001 0.000 0.215 321 A C -0.001 177.577 177.584 -0.009 0.000 1.199 321 A CA 2.196 54.151 52.037 -0.136 0.000 0.615 321 A CB -2.233 16.772 19.000 0.009 0.000 0.838 321 A HN 0.215 nan 8.150 nan 0.000 0.444 322 P HA -0.050 nan 4.420 nan 0.000 0.219 322 P C 1.408 178.691 177.300 -0.028 0.000 1.150 322 P CA 1.750 64.857 63.100 0.011 0.000 0.814 322 P CB -0.166 31.574 31.700 0.065 0.000 0.787 323 A N -0.163 122.710 122.820 0.089 0.000 2.125 323 A HA -0.065 4.255 4.320 0.001 0.000 0.219 323 A C 1.873 179.563 177.584 0.176 0.000 1.156 323 A CA 1.671 53.843 52.037 0.224 0.000 0.671 323 A CB -1.518 17.581 19.000 0.166 0.000 0.794 323 A HN 0.217 nan 8.150 nan 0.000 0.459 324 T N -1.124 113.481 114.554 0.086 0.000 3.122 324 T HA 0.095 4.445 4.350 0.001 0.000 0.250 324 T C 1.328 176.097 174.700 0.115 0.000 1.067 324 T CA 0.978 63.130 62.100 0.086 0.000 0.966 324 T CB 0.249 69.163 68.868 0.078 0.000 1.002 324 T HN 0.429 nan 8.240 nan 0.000 0.542 325 T N 1.087 115.679 114.554 0.065 0.000 3.039 325 T HA 0.185 4.536 4.350 0.001 0.000 0.250 325 T C 1.369 176.151 174.700 0.136 0.000 1.052 325 T CA 0.157 62.312 62.100 0.092 0.000 1.125 325 T CB -0.204 68.650 68.868 -0.023 0.000 0.908 325 T HN 0.265 nan 8.240 nan 0.000 0.473 326 F N 2.415 122.507 119.950 0.237 0.000 2.126 326 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 326 F C 2.636 178.458 175.800 0.037 0.000 1.096 326 F CA 0.810 58.873 58.000 0.104 0.000 1.255 326 F CB -0.900 38.053 39.000 -0.078 0.000 0.997 326 F HN 0.149 nan 8.300 nan 0.000 0.479 327 A N -1.494 121.397 122.820 0.119 0.000 2.121 327 A HA -0.146 4.174 4.320 0.001 0.000 0.218 327 A C 1.251 178.747 177.584 -0.146 0.000 1.154 327 A CA 1.181 53.178 52.037 -0.067 0.000 0.679 327 A CB -0.868 18.014 19.000 -0.197 0.000 0.795 327 A HN 0.434 nan 8.150 nan 0.000 0.458 328 H N -0.897 118.239 119.070 0.109 0.000 2.550 328 H HA 0.496 5.053 4.556 0.001 0.000 0.304 328 H C -0.806 174.568 175.328 0.076 0.000 1.086 328 H CA 0.057 56.150 56.048 0.074 0.000 1.089 328 H CB -0.236 29.552 29.762 0.044 0.000 1.528 328 H HN 0.293 nan 8.280 nan 0.000 0.539 329 L N 0.018 121.351 121.223 0.184 0.000 2.431 329 L HA 0.246 4.586 4.340 0.001 0.000 0.266 329 L C 0.456 177.411 176.870 0.141 0.000 0.978 329 L CA -0.580 54.360 54.840 0.167 0.000 0.822 329 L CB 2.763 44.956 42.059 0.224 0.000 1.310 329 L HN -0.074 nan 8.230 nan 0.000 0.409 330 D N 1.545 122.018 120.400 0.122 0.000 2.354 330 D HA 0.196 4.836 4.640 0.001 0.000 0.209 330 D C 0.308 176.689 176.300 0.136 0.000 1.015 330 D CA 0.533 54.599 54.000 0.110 0.000 0.867 330 D CB 1.194 42.049 40.800 0.091 0.000 0.933 330 D HN 0.502 nan 8.370 nan 0.000 0.520 331 A N 0.652 123.577 122.820 0.174 0.000 2.459 331 A HA 0.536 4.856 4.320 0.001 0.000 0.296 331 A C -0.511 177.227 177.584 0.257 0.000 1.039 331 A CA -0.660 51.516 52.037 0.231 0.000 0.698 331 A CB 1.489 20.709 19.000 0.367 0.000 1.261 331 A HN -0.031 nan 8.150 nan 0.000 0.405 332 T N -0.600 114.101 114.554 0.245 0.000 2.840 332 T HA 0.685 5.035 4.350 0.001 0.000 0.287 332 T C -0.604 174.229 174.700 0.221 0.000 0.991 332 T CA -0.481 61.787 62.100 0.280 0.000 0.964 332 T CB 1.264 70.282 68.868 0.251 0.000 0.954 332 T HN 0.466 nan 8.240 nan 0.000 0.438 333 T N 3.555 118.255 114.554 0.243 0.000 2.977 333 T HA 0.452 4.802 4.350 0.001 0.000 0.346 333 T C -0.046 174.724 174.700 0.118 0.000 1.140 333 T CA -0.485 61.697 62.100 0.138 0.000 1.040 333 T CB 0.677 69.594 68.868 0.081 0.000 1.046 333 T HN 0.646 nan 8.240 nan 0.000 0.494 334 V N 5.187 125.162 119.914 0.103 0.000 2.465 334 V HA 0.439 4.559 4.120 0.001 0.000 0.279 334 V C 0.040 176.170 176.094 0.061 0.000 1.045 334 V CA -0.751 61.617 62.300 0.112 0.000 0.938 334 V CB 1.269 33.122 31.823 0.049 0.000 0.986 334 V HN 0.711 nan 8.190 nan 0.000 0.467 335 L N 4.142 125.403 121.223 0.064 0.000 2.287 335 L HA 0.496 4.836 4.340 0.001 0.000 0.287 335 L C 0.263 177.153 176.870 0.032 0.000 1.022 335 L CA -0.024 54.842 54.840 0.044 0.000 0.814 335 L CB 1.731 43.819 42.059 0.048 0.000 1.217 335 L HN 0.653 nan 8.230 nan 0.000 0.420 336 S N 2.871 118.579 115.700 0.014 0.000 2.442 336 S HA 0.235 4.706 4.470 0.001 0.000 0.297 336 S C 1.012 175.609 174.600 -0.005 0.000 1.131 336 S CA -0.676 57.525 58.200 0.001 0.000 1.092 336 S CB 1.130 64.324 63.200 -0.009 0.000 0.998 336 S HN 0.744 nan 8.310 nan 0.000 0.478 337 R N 3.411 123.910 120.500 -0.001 0.000 2.241 337 R HA -0.045 4.296 4.340 0.001 0.000 0.224 337 R C 1.704 177.998 176.300 -0.011 0.000 1.101 337 R CA 1.530 57.632 56.100 0.003 0.000 0.995 337 R CB -0.783 29.524 30.300 0.011 0.000 0.870 337 R HN 0.789 nan 8.270 nan 0.000 0.463 338 G N 0.224 109.014 108.800 -0.016 0.000 2.534 338 G HA2 -0.094 3.866 3.960 0.001 0.000 0.217 338 G HA3 -0.094 3.866 3.960 0.001 0.000 0.217 338 G C 1.272 176.152 174.900 -0.032 0.000 1.128 338 G CA 0.260 45.349 45.100 -0.019 0.000 0.784 338 G HN 0.295 nan 8.290 nan 0.000 0.542 339 I N 1.011 121.550 120.570 -0.052 0.000 3.081 339 I HA -0.042 4.129 4.170 0.001 0.000 0.274 339 I C 2.926 178.922 176.117 -0.201 0.000 1.178 339 I CA 0.961 62.207 61.300 -0.090 0.000 1.460 339 I CB 0.070 38.027 38.000 -0.072 0.000 1.137 339 I HN 0.239 nan 8.210 nan 0.000 0.443 340 S N 0.401 115.976 115.700 -0.208 0.000 2.383 340 S HA -0.209 4.261 4.470 0.001 0.000 0.227 340 S C 1.850 176.297 174.600 -0.255 0.000 1.026 340 S CA 1.099 59.060 58.200 -0.399 0.000 0.981 340 S CB -0.431 62.746 63.200 -0.038 0.000 0.818 340 S HN 0.473 nan 8.310 nan 0.000 0.472 341 E N 1.222 121.373 120.200 -0.082 0.000 2.204 341 E HA -0.042 4.308 4.350 0.001 0.000 0.194 341 E C 1.731 178.320 176.600 -0.018 0.000 0.989 341 E CA 0.817 57.210 56.400 -0.012 0.000 0.824 341 E CB -0.272 29.432 29.700 0.006 0.000 0.756 341 E HN 0.636 nan 8.360 nan 0.000 0.477 342 L N -0.814 120.373 121.223 -0.060 0.000 2.456 342 L HA 0.042 4.382 4.340 0.001 0.000 0.224 342 L C 1.769 178.645 176.870 0.010 0.000 1.148 342 L CA 0.731 55.560 54.840 -0.018 0.000 0.825 342 L CB -0.214 41.831 42.059 -0.023 0.000 0.937 342 L HN 0.428 nan 8.230 nan 0.000 0.450 343 G N -0.177 108.572 108.800 -0.084 0.000 2.194 343 G HA2 -0.224 3.737 3.960 0.001 0.000 0.236 343 G HA3 -0.224 3.737 3.960 0.001 0.000 0.236 343 G C 0.282 175.046 174.900 -0.227 0.000 0.987 343 G CA -0.426 44.691 45.100 0.029 0.000 0.635 343 G HN 0.125 nan 8.290 nan 0.000 0.520 344 I N 1.333 121.655 120.570 -0.414 0.000 2.452 344 I HA 0.449 4.619 4.170 0.001 0.000 0.287 344 I C -0.007 175.708 176.117 -0.670 0.000 1.079 344 I CA -0.324 60.709 61.300 -0.446 0.000 1.387 344 I CB -0.463 37.380 38.000 -0.262 0.000 1.404 344 I HN 0.100 nan 8.210 nan 0.000 0.522 345 Y N 6.756 126.979 120.300 -0.128 0.000 2.492 345 Y HA 0.423 4.973 4.550 0.001 0.000 0.346 345 Y C -2.165 173.677 175.900 -0.098 0.000 0.997 345 Y CA -2.494 55.538 58.100 -0.113 0.000 1.025 345 Y CB 1.962 40.337 38.460 -0.141 0.000 1.263 345 Y HN 0.420 nan 8.280 nan 0.000 0.454 346 P HA 0.112 nan 4.420 nan 0.000 0.272 346 P C -0.333 177.026 177.300 0.098 0.000 1.223 346 P CA -0.192 62.975 63.100 0.112 0.000 0.784 346 P CB 1.085 32.905 31.700 0.200 0.000 0.923 347 A N 3.114 125.982 122.820 0.079 0.000 2.810 347 A HA 0.190 4.511 4.320 0.001 0.000 0.247 347 A C 0.588 178.193 177.584 0.035 0.000 1.576 347 A CA -0.276 51.744 52.037 -0.029 0.000 1.294 347 A CB -1.354 17.605 19.000 -0.068 0.000 0.976 347 A HN 0.366 nan 8.150 nan 0.000 0.631 348 V N 0.728 120.693 119.914 0.085 0.000 2.655 348 V HA 0.015 4.136 4.120 0.001 0.000 0.300 348 V C 0.318 176.441 176.094 0.049 0.000 1.044 348 V CA 0.045 62.400 62.300 0.092 0.000 1.095 348 V CB 1.027 32.942 31.823 0.155 0.000 0.952 348 V HN 0.669 nan 8.190 nan 0.000 0.485 349 D N 5.904 126.324 120.400 0.034 0.000 2.428 349 D HA 0.353 4.994 4.640 0.001 0.000 0.221 349 D C -1.610 174.698 176.300 0.013 0.000 1.123 349 D CA -1.778 52.232 54.000 0.016 0.000 0.869 349 D CB 1.748 42.547 40.800 -0.001 0.000 1.032 349 D HN 0.225 nan 8.370 nan 0.000 0.506 350 P HA -0.170 nan 4.420 nan 0.000 0.217 350 P C 1.300 178.597 177.300 -0.006 0.000 1.148 350 P CA 0.961 64.067 63.100 0.009 0.000 0.828 350 P CB 0.255 31.964 31.700 0.015 0.000 0.783 351 L N -0.746 120.471 121.223 -0.009 0.000 1.988 351 L HA -0.169 4.171 4.340 0.001 0.000 0.207 351 L C 2.335 179.179 176.870 -0.044 0.000 1.071 351 L CA 1.910 56.736 54.840 -0.024 0.000 0.744 351 L CB -1.146 40.899 42.059 -0.024 0.000 0.893 351 L HN -0.043 nan 8.230 nan 0.000 0.433 352 D N -0.207 120.160 120.400 -0.055 0.000 2.178 352 D HA -0.090 4.551 4.640 0.001 0.000 0.202 352 D C 0.804 177.049 176.300 -0.091 0.000 0.974 352 D CA 0.311 54.254 54.000 -0.096 0.000 0.841 352 D CB 0.160 40.897 40.800 -0.105 0.000 0.953 352 D HN 0.058 nan 8.370 nan 0.000 0.478 353 S N 1.043 116.719 115.700 -0.040 0.000 2.525 353 S HA 0.148 4.618 4.470 0.001 0.000 0.285 353 S C -0.012 174.582 174.600 -0.009 0.000 1.283 353 S CA -0.032 58.164 58.200 -0.007 0.000 1.072 353 S CB 0.644 63.858 63.200 0.024 0.000 0.867 353 S HN 0.091 nan 8.310 nan 0.000 0.492 354 K N 1.611 122.014 120.400 0.006 0.000 2.443 354 K HA 0.699 5.019 4.320 0.001 0.000 0.251 354 K C -0.462 176.170 176.600 0.054 0.000 0.972 354 K CA -0.723 55.571 56.287 0.012 0.000 0.833 354 K CB 2.090 34.576 32.500 -0.023 0.000 1.317 354 K HN 0.718 nan 8.250 nan 0.000 0.441 355 S N -0.849 114.881 115.700 0.051 0.000 2.656 355 S HA 0.472 4.943 4.470 0.001 0.000 0.273 355 S C 0.263 174.894 174.600 0.052 0.000 1.168 355 S CA -0.873 57.369 58.200 0.071 0.000 0.817 355 S CB 2.475 65.715 63.200 0.066 0.000 1.146 355 S HN 0.663 nan 8.310 nan 0.000 0.475 356 R N -0.606 119.927 120.500 0.055 0.000 2.290 356 R HA 0.429 4.769 4.340 0.001 0.000 0.197 356 R C 0.810 177.121 176.300 0.017 0.000 0.913 356 R CA 0.223 56.345 56.100 0.036 0.000 1.040 356 R CB -0.236 30.090 30.300 0.043 0.000 0.992 356 R HN 0.751 nan 8.270 nan 0.000 0.500 357 L N 0.793 122.027 121.223 0.018 0.000 2.567 357 L HA 0.139 4.479 4.340 0.001 0.000 0.225 357 L C 0.915 177.766 176.870 -0.032 0.000 1.119 357 L CA 0.011 54.844 54.840 -0.011 0.000 0.871 357 L CB 0.226 42.279 42.059 -0.010 0.000 1.036 357 L HN 0.176 nan 8.230 nan 0.000 0.459 358 L N 1.759 122.983 121.223 0.003 0.000 2.436 358 L HA 0.054 4.395 4.340 0.001 0.000 0.244 358 L C -0.690 176.197 176.870 0.028 0.000 1.396 358 L CA 0.170 55.036 54.840 0.044 0.000 1.217 358 L CB -0.395 41.718 42.059 0.089 0.000 1.420 358 L HN 0.123 nan 8.230 nan 0.000 0.434 359 D N 0.847 121.208 120.400 -0.064 0.000 2.934 359 D HA 0.367 5.008 4.640 0.001 0.000 0.230 359 D C 0.652 176.820 176.300 -0.221 0.000 1.204 359 D CA -0.070 53.809 54.000 -0.201 0.000 0.873 359 D CB 2.078 42.786 40.800 -0.153 0.000 1.645 359 D HN 0.153 nan 8.370 nan 0.000 0.502 360 A N 2.836 125.417 122.820 -0.397 0.000 2.070 360 A HA 0.109 4.429 4.320 0.001 0.000 0.220 360 A C 1.822 179.333 177.584 -0.122 0.000 1.159 360 A CA 1.601 53.512 52.037 -0.210 0.000 0.656 360 A CB -0.553 18.297 19.000 -0.251 0.000 0.800 360 A HN 0.619 nan 8.150 nan 0.000 0.453 361 A N -1.138 121.600 122.820 -0.137 0.000 2.261 361 A HA 0.414 4.735 4.320 0.001 0.000 0.208 361 A C 1.345 178.888 177.584 -0.068 0.000 1.223 361 A CA 1.154 53.140 52.037 -0.085 0.000 0.833 361 A CB -0.170 18.781 19.000 -0.081 0.000 0.830 361 A HN 0.396 nan 8.150 nan 0.000 0.483 362 V N -1.776 118.090 119.914 -0.079 0.000 3.261 362 V HA -0.032 4.089 4.120 0.001 0.000 0.212 362 V C 1.882 177.923 176.094 -0.088 0.000 1.381 362 V CA 0.936 63.193 62.300 -0.072 0.000 1.322 362 V CB 0.272 32.052 31.823 -0.072 0.000 1.188 362 V HN 0.369 nan 8.190 nan 0.000 0.520 363 V N -0.462 119.370 119.914 -0.136 0.000 3.623 363 V HA 0.718 4.838 4.120 0.001 0.000 0.271 363 V C 0.828 176.870 176.094 -0.088 0.000 1.248 363 V CA 0.394 62.556 62.300 -0.230 0.000 1.156 363 V CB -0.777 30.688 31.823 -0.597 0.000 0.870 363 V HN 1.121 nan 8.190 nan 0.000 0.453 364 G N 0.408 109.196 108.800 -0.020 0.000 2.675 364 G HA2 -0.172 3.788 3.960 0.001 0.000 0.686 364 G HA3 -0.172 3.788 3.960 0.001 0.000 0.686 364 G C -0.172 174.789 174.900 0.102 0.000 1.215 364 G CA 0.230 45.358 45.100 0.046 0.000 0.777 364 G HN 0.491 nan 8.290 nan 0.000 0.638 365 Q N 0.183 120.037 119.800 0.091 0.000 2.020 365 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 365 Q C 2.408 178.512 176.000 0.174 0.000 0.982 365 Q CA 2.832 58.712 55.803 0.128 0.000 0.838 365 Q CB -0.312 28.476 28.738 0.084 0.000 0.899 365 Q HN 0.841 nan 8.270 nan 0.000 0.423 366 E N -1.143 119.136 120.200 0.131 0.000 2.058 366 E HA -0.293 4.057 4.350 0.001 0.000 0.194 366 E C 1.990 178.670 176.600 0.135 0.000 0.997 366 E CA 1.253 57.719 56.400 0.111 0.000 0.801 366 E CB -0.342 29.408 29.700 0.083 0.000 0.746 366 E HN 0.570 nan 8.360 nan 0.000 0.450 367 H N -0.430 118.683 119.070 0.072 0.000 2.387 367 H HA -0.194 4.362 4.556 0.000 0.000 0.299 367 H C 1.877 177.255 175.328 0.082 0.000 1.090 367 H CA 1.863 57.947 56.048 0.059 0.000 1.332 367 H CB -0.393 29.401 29.762 0.053 0.000 1.386 367 H HN 0.331 nan 8.280 nan 0.000 0.516 368 Y N 1.970 122.394 120.300 0.206 0.000 2.145 368 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 368 Y C 2.158 178.097 175.900 0.064 0.000 1.145 368 Y CA 1.963 60.138 58.100 0.124 0.000 1.148 368 Y CB -0.315 38.183 38.460 0.063 0.000 0.981 368 Y HN 0.218 nan 8.280 nan 0.000 0.507 369 D N -0.714 119.677 120.400 -0.014 0.000 2.117 369 D HA -0.153 4.488 4.640 0.001 0.000 0.198 369 D C 2.402 178.632 176.300 -0.117 0.000 0.982 369 D CA 1.686 55.615 54.000 -0.119 0.000 0.828 369 D CB -0.333 40.463 40.800 -0.007 0.000 0.967 369 D HN 0.317 nan 8.370 nan 0.000 0.464 370 V N 1.988 121.860 119.914 -0.071 0.000 2.295 370 V HA -0.249 3.871 4.120 0.001 0.000 0.246 370 V C 2.665 178.686 176.094 -0.122 0.000 1.049 370 V CA 1.852 64.105 62.300 -0.079 0.000 1.024 370 V CB -0.881 30.890 31.823 -0.086 0.000 0.648 370 V HN 0.157 nan 8.190 nan 0.000 0.447 371 A N -0.034 122.691 122.820 -0.159 0.000 1.865 371 A HA -0.245 4.075 4.320 0.001 0.000 0.217 371 A C 2.499 179.993 177.584 -0.149 0.000 1.191 371 A CA 2.489 54.431 52.037 -0.158 0.000 0.623 371 A CB -0.937 18.021 19.000 -0.070 0.000 0.826 371 A HN 0.514 nan 8.150 nan 0.000 0.444 372 S N -0.089 115.478 115.700 -0.222 0.000 2.365 372 S HA -0.209 4.261 4.470 0.001 0.000 0.225 372 S C 1.933 176.455 174.600 -0.131 0.000 1.039 372 S CA 1.803 59.868 58.200 -0.225 0.000 1.033 372 S CB -0.323 62.653 63.200 -0.373 0.000 0.887 372 S HN 0.627 nan 8.310 nan 0.000 0.447 373 K N 0.634 120.968 120.400 -0.111 0.000 2.103 373 K HA -0.068 4.252 4.320 0.001 0.000 0.207 373 K C 2.025 178.604 176.600 -0.035 0.000 1.048 373 K CA 1.261 57.511 56.287 -0.061 0.000 0.930 373 K CB -0.398 32.076 32.500 -0.043 0.000 0.716 373 K HN 0.199 nan 8.250 nan 0.000 0.444 374 V N 1.688 121.583 119.914 -0.033 0.000 2.343 374 V HA -0.265 3.855 4.120 0.001 0.000 0.247 374 V C 2.231 178.322 176.094 -0.005 0.000 1.051 374 V CA 1.666 63.969 62.300 0.004 0.000 1.036 374 V CB -0.515 31.308 31.823 -0.001 0.000 0.654 374 V HN 0.349 nan 8.190 nan 0.000 0.451 375 Q N -0.063 119.718 119.800 -0.032 0.000 1.993 375 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 375 Q C 2.342 178.335 176.000 -0.012 0.000 0.984 375 Q CA 1.918 57.707 55.803 -0.023 0.000 0.837 375 Q CB -0.266 28.447 28.738 -0.041 0.000 0.902 375 Q HN 0.692 nan 8.270 nan 0.000 0.423 376 E N 0.055 120.241 120.200 -0.024 0.000 2.086 376 E HA -0.213 4.137 4.350 0.001 0.000 0.200 376 E C 2.079 178.681 176.600 0.004 0.000 1.012 376 E CA 1.725 58.116 56.400 -0.014 0.000 0.812 376 E CB -0.190 29.495 29.700 -0.024 0.000 0.743 376 E HN 0.330 nan 8.360 nan 0.000 0.453 377 T N 1.604 116.160 114.554 0.004 0.000 2.708 377 T HA -0.116 4.234 4.350 0.001 0.000 0.266 377 T C 1.986 176.711 174.700 0.042 0.000 1.037 377 T CA 0.903 63.011 62.100 0.013 0.000 1.146 377 T CB -0.189 68.677 68.868 -0.003 0.000 0.865 377 T HN 0.095 nan 8.240 nan 0.000 0.435 378 L N 0.802 122.052 121.223 0.044 0.000 2.093 378 L HA -0.096 4.244 4.340 0.001 0.000 0.208 378 L C 2.845 179.779 176.870 0.107 0.000 1.085 378 L CA 1.066 55.957 54.840 0.085 0.000 0.755 378 L CB -0.546 41.551 42.059 0.063 0.000 0.904 378 L HN 0.225 nan 8.230 nan 0.000 0.435 379 Q N 0.296 120.129 119.800 0.055 0.000 2.079 379 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 379 Q C 2.031 178.056 176.000 0.040 0.000 0.974 379 Q CA 2.294 58.117 55.803 0.034 0.000 0.840 379 Q CB -0.406 28.337 28.738 0.008 0.000 0.898 379 Q HN 0.326 nan 8.270 nan 0.000 0.430 380 T N 0.022 114.608 114.554 0.054 0.000 2.915 380 T HA -0.135 4.216 4.350 0.001 0.000 0.269 380 T C 1.117 175.874 174.700 0.094 0.000 1.071 380 T CA 1.210 63.342 62.100 0.054 0.000 1.132 380 T CB -0.457 68.439 68.868 0.047 0.000 0.878 380 T HN 0.419 nan 8.240 nan 0.000 0.479 381 Y N 1.836 122.129 120.300 -0.012 0.000 2.314 381 Y HA 0.122 4.672 4.550 0.001 0.000 0.293 381 Y C 2.267 178.162 175.900 -0.009 0.000 1.129 381 Y CA 0.853 58.948 58.100 -0.009 0.000 1.201 381 Y CB -0.142 38.313 38.460 -0.008 0.000 0.999 381 Y HN 0.010 nan 8.280 nan 0.000 0.541 382 K N -0.194 120.149 120.400 -0.096 0.000 2.062 382 K HA -0.107 4.213 4.320 0.001 0.000 0.205 382 K C 2.193 178.706 176.600 -0.145 0.000 1.051 382 K CA 1.340 57.519 56.287 -0.181 0.000 0.941 382 K CB -0.214 32.245 32.500 -0.068 0.000 0.719 382 K HN 0.414 nan 8.250 nan 0.000 0.440 383 S N 0.358 116.012 115.700 -0.078 0.000 2.474 383 S HA -0.059 4.412 4.470 0.001 0.000 0.235 383 S C 1.546 176.106 174.600 -0.066 0.000 0.997 383 S CA 0.668 58.832 58.200 -0.059 0.000 0.949 383 S CB -0.156 63.026 63.200 -0.030 0.000 0.766 383 S HN 0.308 nan 8.310 nan 0.000 0.517 384 L N 0.256 121.426 121.223 -0.088 0.000 2.693 384 L HA 0.321 4.661 4.340 0.001 0.000 0.235 384 L C 2.351 179.147 176.870 -0.123 0.000 1.127 384 L CA -0.023 54.773 54.840 -0.074 0.000 0.914 384 L CB -0.080 41.963 42.059 -0.027 0.000 1.193 384 L HN 0.246 nan 8.230 nan 0.000 0.502 385 Q N 0.989 120.668 119.800 -0.203 0.000 2.135 385 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 385 Q C 1.578 177.502 176.000 -0.128 0.000 0.981 385 Q CA 1.905 57.565 55.803 -0.239 0.000 0.856 385 Q CB 0.048 28.618 28.738 -0.281 0.000 0.902 385 Q HN 0.375 nan 8.270 nan 0.000 0.425 386 D N -0.331 120.013 120.400 -0.094 0.000 2.117 386 D HA -0.137 4.503 4.640 0.001 0.000 0.197 386 D C 1.856 178.129 176.300 -0.045 0.000 0.987 386 D CA 1.401 55.365 54.000 -0.060 0.000 0.829 386 D CB -0.090 40.681 40.800 -0.048 0.000 0.961 386 D HN 0.405 nan 8.370 nan 0.000 0.460 387 I N 1.053 121.597 120.570 -0.044 0.000 2.315 387 I HA -0.210 3.961 4.170 0.001 0.000 0.248 387 I C 2.278 178.383 176.117 -0.020 0.000 1.117 387 I CA 0.468 61.753 61.300 -0.026 0.000 1.404 387 I CB -0.155 37.833 38.000 -0.020 0.000 1.071 387 I HN -0.030 nan 8.210 nan 0.000 0.419 388 I N 1.455 122.007 120.570 -0.029 0.000 2.226 388 I HA -0.255 3.915 4.170 0.001 0.000 0.245 388 I C 2.853 178.966 176.117 -0.007 0.000 1.100 388 I CA 1.755 63.048 61.300 -0.011 0.000 1.374 388 I CB -1.557 36.434 38.000 -0.014 0.000 1.057 388 I HN 0.182 nan 8.210 nan 0.000 0.413 389 A N 0.726 123.534 122.820 -0.019 0.000 1.968 389 A HA -0.087 4.234 4.320 0.001 0.000 0.217 389 A C 2.239 179.819 177.584 -0.007 0.000 1.169 389 A CA 0.992 53.022 52.037 -0.012 0.000 0.638 389 A CB -0.296 18.692 19.000 -0.020 0.000 0.812 389 A HN 0.249 nan 8.150 nan 0.000 0.446 390 I N -0.662 119.902 120.570 -0.010 0.000 2.260 390 I HA -0.071 4.099 4.170 0.001 0.000 0.237 390 I C 2.419 178.535 176.117 -0.002 0.000 1.075 390 I CA 1.112 62.408 61.300 -0.006 0.000 1.376 390 I CB -1.330 36.665 38.000 -0.009 0.000 1.107 390 I HN 0.254 nan 8.210 nan 0.000 0.420 391 L N -0.621 120.602 121.223 -0.001 0.000 2.187 391 L HA 0.351 4.692 4.340 0.001 0.000 0.197 391 L C 1.158 178.033 176.870 0.008 0.000 1.090 391 L CA 0.798 55.640 54.840 0.003 0.000 0.781 391 L CB -0.400 41.660 42.059 0.002 0.000 0.956 391 L HN 0.481 nan 8.230 nan 0.000 0.463 392 G N -1.328 107.478 108.800 0.010 0.000 2.315 392 G HA2 -0.109 3.851 3.960 0.001 0.000 0.296 392 G HA3 -0.109 3.851 3.960 0.001 0.000 0.296 392 G C -0.232 174.683 174.900 0.024 0.000 1.289 392 G CA -0.260 44.851 45.100 0.018 0.000 0.996 392 G HN -0.018 nan 8.290 nan 0.000 0.487 393 M N 0.395 120.014 119.600 0.031 0.000 2.541 393 M HA 0.117 4.597 4.480 0.001 0.000 0.252 393 M C 1.512 177.827 176.300 0.025 0.000 1.125 393 M CA 0.692 56.013 55.300 0.035 0.000 1.091 393 M CB -0.106 32.521 32.600 0.044 0.000 1.420 393 M HN 0.495 nan 8.290 nan 0.000 0.486 394 D N 0.962 121.375 120.400 0.021 0.000 2.218 394 D HA -0.131 4.509 4.640 0.001 0.000 0.204 394 D C 1.656 177.964 176.300 0.013 0.000 0.976 394 D CA 1.114 55.123 54.000 0.016 0.000 0.853 394 D CB -0.049 40.759 40.800 0.014 0.000 0.939 394 D HN 0.356 nan 8.370 nan 0.000 0.481 395 E N 0.154 120.362 120.200 0.013 0.000 2.442 395 E HA 0.097 4.448 4.350 0.001 0.000 0.195 395 E C 0.913 177.520 176.600 0.011 0.000 1.030 395 E CA -0.110 56.296 56.400 0.010 0.000 0.869 395 E CB 0.441 30.145 29.700 0.007 0.000 0.857 395 E HN 0.347 nan 8.360 nan 0.000 0.505 396 L N 2.133 123.366 121.223 0.016 0.000 2.426 396 L HA 0.046 4.386 4.340 0.001 0.000 0.271 396 L C 1.108 177.987 176.870 0.015 0.000 1.169 396 L CA -0.296 54.555 54.840 0.018 0.000 0.836 396 L CB 0.485 42.561 42.059 0.028 0.000 1.112 396 L HN -0.013 nan 8.230 nan 0.000 0.465 397 S N 1.334 117.042 115.700 0.014 0.000 2.608 397 S HA 0.084 4.555 4.470 0.001 0.000 0.261 397 S C 0.926 175.533 174.600 0.012 0.000 1.314 397 S CA -0.701 57.505 58.200 0.011 0.000 0.992 397 S CB 1.089 64.294 63.200 0.008 0.000 0.935 397 S HN 0.593 nan 8.310 nan 0.000 0.564 398 E N 1.155 121.360 120.200 0.009 0.000 2.058 398 E HA -0.184 4.166 4.350 0.001 0.000 0.194 398 E C 2.193 178.798 176.600 0.007 0.000 0.997 398 E CA 1.692 58.096 56.400 0.008 0.000 0.801 398 E CB -0.564 29.139 29.700 0.005 0.000 0.746 398 E HN 0.786 nan 8.360 nan 0.000 0.450 399 Q N 0.388 120.191 119.800 0.006 0.000 2.079 399 Q HA -0.133 4.208 4.340 0.001 0.000 0.200 399 Q C 1.852 177.858 176.000 0.010 0.000 0.974 399 Q CA 1.127 56.933 55.803 0.006 0.000 0.840 399 Q CB 0.002 28.742 28.738 0.004 0.000 0.898 399 Q HN 0.250 nan 8.270 nan 0.000 0.430 400 D N 0.652 121.061 120.400 0.015 0.000 2.144 400 D HA -0.131 4.509 4.640 0.001 0.000 0.200 400 D C 1.688 178.007 176.300 0.032 0.000 0.978 400 D CA 0.976 54.991 54.000 0.025 0.000 0.833 400 D CB -0.014 40.801 40.800 0.026 0.000 0.961 400 D HN 0.152 nan 8.370 nan 0.000 0.470 401 K N 0.488 120.904 120.400 0.026 0.000 2.148 401 K HA -0.127 4.193 4.320 0.001 0.000 0.204 401 K C 2.085 178.696 176.600 0.018 0.000 1.050 401 K CA 0.449 56.753 56.287 0.028 0.000 0.942 401 K CB -0.015 32.499 32.500 0.023 0.000 0.724 401 K HN -0.010 nan 8.250 nan 0.000 0.446 402 L N 0.932 122.161 121.223 0.010 0.000 2.109 402 L HA -0.064 4.276 4.340 0.001 0.000 0.207 402 L C 1.809 178.673 176.870 -0.010 0.000 1.086 402 L CA 1.807 56.646 54.840 -0.001 0.000 0.760 402 L CB -0.523 41.534 42.059 -0.003 0.000 0.910 402 L HN 0.101 nan 8.230 nan 0.000 0.437 403 T N -1.184 113.369 114.554 -0.002 0.000 2.857 403 T HA -0.108 4.243 4.350 0.001 0.000 0.266 403 T C 1.973 176.660 174.700 -0.021 0.000 1.048 403 T CA 1.395 63.491 62.100 -0.007 0.000 1.139 403 T CB -0.316 68.561 68.868 0.014 0.000 0.874 403 T HN 0.178 nan 8.240 nan 0.000 0.455 404 V N 1.885 121.803 119.914 0.007 0.000 2.219 404 V HA -0.252 3.868 4.120 0.001 0.000 0.248 404 V C 2.492 178.492 176.094 -0.157 0.000 1.053 404 V CA 1.887 64.172 62.300 -0.024 0.000 1.009 404 V CB -0.749 31.127 31.823 0.089 0.000 0.636 404 V HN 0.536 nan 8.190 nan 0.000 0.445 405 E N -0.153 119.998 120.200 -0.081 0.000 2.049 405 E HA -0.314 4.036 4.350 0.001 0.000 0.198 405 E C 2.425 178.952 176.600 -0.121 0.000 1.007 405 E CA 1.820 58.171 56.400 -0.082 0.000 0.809 405 E CB -0.309 29.375 29.700 -0.025 0.000 0.749 405 E HN 0.450 nan 8.360 nan 0.000 0.450 406 R N 0.654 121.090 120.500 -0.106 0.000 2.083 406 R HA -0.200 4.140 4.340 0.001 0.000 0.237 406 R C 2.319 178.506 176.300 -0.188 0.000 1.137 406 R CA 1.488 57.507 56.100 -0.134 0.000 0.951 406 R CB -0.276 29.970 30.300 -0.090 0.000 0.851 406 R HN 0.182 nan 8.270 nan 0.000 0.434 407 A N 1.214 123.925 122.820 -0.183 0.000 1.851 407 A HA -0.207 4.114 4.320 0.001 0.000 0.216 407 A C 2.176 179.579 177.584 -0.302 0.000 1.195 407 A CA 1.776 53.683 52.037 -0.216 0.000 0.622 407 A CB -0.610 18.255 19.000 -0.226 0.000 0.831 407 A HN 0.408 nan 8.150 nan 0.000 0.444 408 R N -0.283 119.966 120.500 -0.418 0.000 2.139 408 R HA -0.161 4.179 4.340 0.001 0.000 0.243 408 R C 2.194 178.371 176.300 -0.205 0.000 1.145 408 R CA 1.715 57.607 56.100 -0.347 0.000 0.976 408 R CB -0.309 29.808 30.300 -0.305 0.000 0.866 408 R HN 0.552 nan 8.270 nan 0.000 0.449 409 K N 0.428 120.674 120.400 -0.256 0.000 2.057 409 K HA -0.069 4.251 4.320 0.001 0.000 0.206 409 K C 2.080 178.356 176.600 -0.541 0.000 1.050 409 K CA 1.188 57.200 56.287 -0.459 0.000 0.935 409 K CB -0.073 32.026 32.500 -0.669 0.000 0.715 409 K HN 0.160 nan 8.250 nan 0.000 0.439 410 I N 1.344 121.699 120.570 -0.357 0.000 2.252 410 I HA -0.295 3.875 4.170 0.001 0.000 0.245 410 I C 2.403 178.522 176.117 0.003 0.000 1.102 410 I CA 1.310 62.504 61.300 -0.176 0.000 1.385 410 I CB -0.294 37.682 38.000 -0.039 0.000 1.064 410 I HN 0.228 nan 8.210 nan 0.000 0.414 411 Q N 0.410 120.188 119.800 -0.036 0.000 2.030 411 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 411 Q C 2.406 178.412 176.000 0.010 0.000 0.986 411 Q CA 1.282 57.088 55.803 0.005 0.000 0.843 411 Q CB -0.169 28.553 28.738 -0.027 0.000 0.904 411 Q HN 0.379 nan 8.270 nan 0.000 0.420 412 R N 0.011 120.512 120.500 0.002 0.000 2.120 412 R HA -0.117 4.223 4.340 0.001 0.000 0.234 412 R C 1.994 178.341 176.300 0.078 0.000 1.123 412 R CA 0.922 57.039 56.100 0.028 0.000 0.975 412 R CB -0.762 29.622 30.300 0.141 0.000 0.866 412 R HN 0.274 nan 8.270 nan 0.000 0.446 413 F N 1.591 121.492 119.950 -0.081 0.000 2.293 413 F HA -0.034 4.493 4.527 0.000 0.000 0.300 413 F C 1.986 177.785 175.800 -0.001 0.000 1.086 413 F CA 0.728 58.679 58.000 -0.082 0.000 1.375 413 F CB -0.199 38.585 39.000 -0.359 0.000 1.045 413 F HN -0.117 nan 8.300 nan 0.000 0.516 414 L N -0.181 121.084 121.223 0.071 0.000 2.131 414 L HA -0.157 4.183 4.340 0.001 0.000 0.210 414 L C 1.560 178.426 176.870 -0.008 0.000 1.092 414 L CA 0.710 55.601 54.840 0.085 0.000 0.759 414 L CB -1.243 40.885 42.059 0.116 0.000 0.903 414 L HN 0.145 nan 8.230 nan 0.000 0.435 415 S N 0.084 115.745 115.700 -0.066 0.000 2.566 415 S HA 0.104 4.574 4.470 0.001 0.000 0.280 415 S C -0.222 174.356 174.600 -0.036 0.000 1.343 415 S CA -0.355 57.799 58.200 -0.076 0.000 1.036 415 S CB 1.298 64.352 63.200 -0.244 0.000 0.866 415 S HN 0.344 nan 8.310 nan 0.000 0.526 416 Q N 0.974 120.825 119.800 0.085 0.000 2.281 416 Q HA 0.389 4.730 4.340 0.001 0.000 0.263 416 Q C -3.152 173.017 176.000 0.282 0.000 0.989 416 Q CA -2.031 53.847 55.803 0.125 0.000 0.852 416 Q CB 2.016 30.825 28.738 0.119 0.000 1.337 416 Q HN 0.426 nan 8.270 nan 0.000 0.418 417 P HA 0.113 nan 4.420 nan 0.000 0.267 417 P C -1.229 176.227 177.300 0.261 0.000 1.205 417 P CA 0.253 63.481 63.100 0.214 0.000 0.765 417 P CB 0.179 31.946 31.700 0.111 0.000 0.828 418 F N 1.690 121.645 119.950 0.008 0.000 2.415 418 F HA 0.418 4.945 4.527 0.000 0.000 0.348 418 F C 1.489 177.288 175.800 -0.002 0.000 1.119 418 F CA -0.656 57.340 58.000 -0.008 0.000 1.069 418 F CB 0.931 39.928 39.000 -0.004 0.000 1.124 418 F HN 0.339 nan 8.300 nan 0.000 0.472 419 A N 2.993 125.842 122.820 0.048 0.000 1.940 419 A HA -0.097 4.224 4.320 0.001 0.000 0.219 419 A C 1.994 179.605 177.584 0.045 0.000 1.176 419 A CA 1.967 54.017 52.037 0.021 0.000 0.631 419 A CB -0.788 18.193 19.000 -0.031 0.000 0.814 419 A HN 0.571 nan 8.150 nan 0.000 0.446 420 V N -0.909 119.063 119.914 0.096 0.000 2.548 420 V HA -0.056 4.064 4.120 0.001 0.000 0.249 420 V C 2.305 178.461 176.094 0.104 0.000 1.055 420 V CA 1.555 63.911 62.300 0.093 0.000 1.065 420 V CB -0.761 31.142 31.823 0.134 0.000 0.681 420 V HN 0.569 nan 8.190 nan 0.000 0.462 421 A N -0.675 122.264 122.820 0.198 0.000 2.577 421 A HA 0.186 4.507 4.320 0.001 0.000 0.280 421 A C 1.809 179.460 177.584 0.110 0.000 1.331 421 A CA 0.079 52.281 52.037 0.275 0.000 0.935 421 A CB -0.390 18.827 19.000 0.362 0.000 1.082 421 A HN 0.518 nan 8.150 nan 0.000 0.525 422 E N 0.081 120.280 120.200 -0.003 0.000 2.204 422 E HA -0.133 4.217 4.350 0.001 0.000 0.194 422 E C 1.604 178.135 176.600 -0.115 0.000 0.989 422 E CA 1.604 57.991 56.400 -0.022 0.000 0.824 422 E CB -0.020 29.666 29.700 -0.024 0.000 0.756 422 E HN 0.581 nan 8.360 nan 0.000 0.477 423 V N -1.589 118.136 119.914 -0.316 0.000 3.444 423 V HA -0.036 4.084 4.120 0.001 0.000 0.271 423 V C 1.193 177.005 176.094 -0.469 0.000 1.188 423 V CA 0.826 62.869 62.300 -0.428 0.000 1.168 423 V CB -0.717 30.752 31.823 -0.589 0.000 0.810 423 V HN 0.122 nan 8.190 nan 0.000 0.500 424 F N 1.496 121.437 119.950 -0.016 0.000 2.557 424 F HA 0.184 4.712 4.527 0.001 0.000 0.278 424 F C 2.582 178.374 175.800 -0.012 0.000 1.051 424 F CA 1.068 59.049 58.000 -0.033 0.000 1.357 424 F CB -0.855 38.093 39.000 -0.086 0.000 1.104 424 F HN 0.239 nan 8.300 nan 0.000 0.654 425 T N -3.336 111.321 114.554 0.172 0.000 3.051 425 T HA 0.341 4.691 4.350 0.001 0.000 0.255 425 T C 1.905 176.665 174.700 0.099 0.000 1.085 425 T CA 0.703 62.887 62.100 0.140 0.000 1.109 425 T CB -0.168 68.789 68.868 0.148 0.000 0.921 425 T HN 0.455 nan 8.240 nan 0.000 0.488 426 G N 1.588 110.423 108.800 0.058 0.000 2.155 426 G HA2 -0.217 3.744 3.960 0.001 0.000 0.257 426 G HA3 -0.217 3.744 3.960 0.001 0.000 0.257 426 G C 0.013 174.938 174.900 0.042 0.000 0.983 426 G CA 0.416 45.536 45.100 0.034 0.000 0.676 426 G HN 0.682 nan 8.290 nan 0.000 0.528 427 I N 0.986 121.592 120.570 0.059 0.000 2.406 427 I HA 0.320 4.491 4.170 0.001 0.000 0.290 427 I C -2.170 173.977 176.117 0.050 0.000 0.999 427 I CA -2.626 58.711 61.300 0.061 0.000 1.124 427 I CB 2.113 40.167 38.000 0.090 0.000 1.289 427 I HN -0.198 nan 8.210 nan 0.000 0.441 428 P HA -0.001 nan 4.420 nan 0.000 0.265 428 P C 0.304 177.617 177.300 0.021 0.000 1.187 428 P CA -0.009 63.102 63.100 0.018 0.000 0.766 428 P CB 0.408 32.114 31.700 0.009 0.000 0.820 429 G N 2.876 111.681 108.800 0.008 0.000 2.647 429 G HA2 0.148 4.108 3.960 0.001 0.000 0.234 429 G HA3 0.148 4.108 3.960 0.001 0.000 0.234 429 G C -0.427 174.455 174.900 -0.030 0.000 1.252 429 G CA -0.194 44.899 45.100 -0.011 0.000 0.846 429 G HN 0.316 nan 8.290 nan 0.000 0.589 430 K N 0.916 121.279 120.400 -0.061 0.000 2.613 430 K HA 0.268 4.588 4.320 0.001 0.000 0.248 430 K C -1.301 175.231 176.600 -0.113 0.000 0.959 430 K CA -0.840 55.409 56.287 -0.063 0.000 0.855 430 K CB 2.069 34.548 32.500 -0.036 0.000 1.143 430 K HN 0.297 nan 8.250 nan 0.000 0.437 431 L N 3.806 124.973 121.223 -0.094 0.000 2.265 431 L HA 0.382 4.723 4.340 0.001 0.000 0.289 431 L C -0.945 175.886 176.870 -0.064 0.000 1.033 431 L CA -0.582 54.196 54.840 -0.103 0.000 0.814 431 L CB 1.342 43.349 42.059 -0.087 0.000 1.203 431 L HN 0.282 nan 8.230 nan 0.000 0.423 432 V N 5.786 125.661 119.914 -0.064 0.000 2.513 432 V HA 0.545 4.665 4.120 0.001 0.000 0.299 432 V C 0.325 176.414 176.094 -0.009 0.000 1.035 432 V CA -0.843 61.441 62.300 -0.027 0.000 0.889 432 V CB 1.658 33.466 31.823 -0.025 0.000 0.988 432 V HN 0.679 nan 8.190 nan 0.000 0.440 433 R N 2.478 122.985 120.500 0.013 0.000 2.582 433 R HA 0.329 4.669 4.340 0.001 0.000 0.271 433 R C 1.255 177.580 176.300 0.041 0.000 1.078 433 R CA -0.550 55.564 56.100 0.024 0.000 1.127 433 R CB 0.870 31.188 30.300 0.029 0.000 1.038 433 R HN 0.706 nan 8.270 nan 0.000 0.500 434 L N 2.520 123.771 121.223 0.046 0.000 2.042 434 L HA -0.249 4.091 4.340 0.001 0.000 0.210 434 L C 1.841 178.760 176.870 0.082 0.000 1.076 434 L CA 1.834 56.715 54.840 0.068 0.000 0.749 434 L CB -0.103 42.003 42.059 0.079 0.000 0.893 434 L HN 0.589 nan 8.230 nan 0.000 0.432 435 K N -0.445 119.999 120.400 0.074 0.000 2.044 435 K HA -0.276 4.044 4.320 0.001 0.000 0.210 435 K C 1.774 178.423 176.600 0.081 0.000 1.049 435 K CA 2.070 58.403 56.287 0.076 0.000 0.927 435 K CB -0.368 32.169 32.500 0.061 0.000 0.713 435 K HN 0.383 nan 8.250 nan 0.000 0.443 436 D N -0.095 120.354 120.400 0.082 0.000 2.183 436 D HA -0.079 4.561 4.640 0.001 0.000 0.203 436 D C 1.574 177.964 176.300 0.150 0.000 0.969 436 D CA 1.139 55.200 54.000 0.102 0.000 0.842 436 D CB 0.154 41.006 40.800 0.086 0.000 0.957 436 D HN 0.049 nan 8.370 nan 0.000 0.484 437 T N -0.570 114.074 114.554 0.150 0.000 2.708 437 T HA -0.136 4.215 4.350 0.001 0.000 0.266 437 T C 2.074 176.940 174.700 0.278 0.000 1.037 437 T CA 1.334 63.578 62.100 0.241 0.000 1.146 437 T CB -0.426 68.524 68.868 0.137 0.000 0.865 437 T HN -0.017 nan 8.240 nan 0.000 0.435 438 V N 1.983 121.950 119.914 0.089 0.000 2.233 438 V HA -0.230 3.891 4.120 0.001 0.000 0.247 438 V C 2.945 179.109 176.094 0.117 0.000 1.050 438 V CA 1.901 64.202 62.300 0.002 0.000 1.010 438 V CB -1.369 30.408 31.823 -0.076 0.000 0.637 438 V HN 0.553 nan 8.190 nan 0.000 0.444 439 A N -0.382 122.510 122.820 0.120 0.000 1.940 439 A HA -0.241 4.079 4.320 0.001 0.000 0.219 439 A C 2.456 180.141 177.584 0.168 0.000 1.176 439 A CA 2.392 54.503 52.037 0.123 0.000 0.631 439 A CB -0.746 18.317 19.000 0.105 0.000 0.814 439 A HN 0.538 nan 8.150 nan 0.000 0.446 440 S N -0.588 115.251 115.700 0.232 0.000 2.351 440 S HA -0.135 4.336 4.470 0.001 0.000 0.220 440 S C 1.624 176.309 174.600 0.141 0.000 1.035 440 S CA 1.695 60.026 58.200 0.218 0.000 1.031 440 S CB -0.613 62.803 63.200 0.360 0.000 0.928 440 S HN 0.543 nan 8.310 nan 0.000 0.433 441 F N 1.819 121.830 119.950 0.101 0.000 2.134 441 F HA -0.037 4.491 4.527 0.001 0.000 0.299 441 F C 2.358 178.154 175.800 -0.006 0.000 1.097 441 F CA 1.117 59.133 58.000 0.028 0.000 1.264 441 F CB -0.510 38.517 39.000 0.044 0.000 1.001 441 F HN 0.115 nan 8.300 nan 0.000 0.479 442 K N 0.472 120.992 120.400 0.201 0.000 2.113 442 K HA -0.210 4.111 4.320 0.001 0.000 0.208 442 K C 2.184 178.825 176.600 0.068 0.000 1.047 442 K CA 1.337 57.683 56.287 0.098 0.000 0.928 442 K CB -0.306 32.238 32.500 0.073 0.000 0.716 442 K HN 0.234 nan 8.250 nan 0.000 0.446 443 A N 0.316 123.192 122.820 0.094 0.000 1.969 443 A HA -0.057 4.263 4.320 0.001 0.000 0.218 443 A C 2.106 179.733 177.584 0.071 0.000 1.169 443 A CA 1.300 53.389 52.037 0.086 0.000 0.635 443 A CB -0.237 18.896 19.000 0.222 0.000 0.810 443 A HN 0.175 nan 8.150 nan 0.000 0.445 444 V N 0.059 120.018 119.914 0.074 0.000 2.591 444 V HA -0.171 3.950 4.120 0.001 0.000 0.249 444 V C 2.452 178.526 176.094 -0.034 0.000 1.053 444 V CA 1.484 63.791 62.300 0.013 0.000 1.068 444 V CB -0.734 30.945 31.823 -0.240 0.000 0.689 444 V HN 0.548 nan 8.190 nan 0.000 0.462 445 L N -0.098 121.117 121.223 -0.014 0.000 2.056 445 L HA -0.157 4.183 4.340 0.001 0.000 0.207 445 L C 2.472 179.327 176.870 -0.026 0.000 1.078 445 L CA 1.594 56.424 54.840 -0.015 0.000 0.749 445 L CB -0.682 41.381 42.059 0.007 0.000 0.901 445 L HN 0.365 nan 8.230 nan 0.000 0.433 446 E N 0.264 120.446 120.200 -0.029 0.000 2.401 446 E HA -0.083 4.267 4.350 0.001 0.000 0.199 446 E C 1.131 177.692 176.600 -0.064 0.000 1.023 446 E CA 0.529 56.902 56.400 -0.045 0.000 0.859 446 E CB -0.109 29.559 29.700 -0.052 0.000 0.780 446 E HN 0.595 nan 8.360 nan 0.000 0.523 447 G N 1.799 110.557 108.800 -0.069 0.000 2.204 447 G HA2 -0.299 3.662 3.960 0.001 0.000 0.244 447 G HA3 -0.299 3.662 3.960 0.001 0.000 0.244 447 G C 0.409 175.233 174.900 -0.126 0.000 1.062 447 G CA 0.297 45.354 45.100 -0.071 0.000 0.798 447 G HN 0.225 nan 8.290 nan 0.000 0.496 448 K N -0.891 119.364 120.400 -0.242 0.000 2.387 448 K HA 0.323 4.643 4.320 0.001 0.000 0.198 448 K C 0.190 176.373 176.600 -0.694 0.000 1.022 448 K CA 0.207 56.209 56.287 -0.476 0.000 1.128 448 K CB 0.422 32.542 32.500 -0.632 0.000 0.853 448 K HN 0.507 nan 8.250 nan 0.000 0.523 449 Y N -0.430 119.869 120.300 -0.003 0.000 2.777 449 Y HA 0.136 4.686 4.550 0.000 0.000 0.248 449 Y C 0.342 176.284 175.900 0.070 0.000 1.127 449 Y CA -0.935 57.187 58.100 0.037 0.000 1.149 449 Y CB 0.411 38.923 38.460 0.086 0.000 1.230 449 Y HN -0.003 nan 8.280 nan 0.000 0.586 450 D N 0.280 120.749 120.400 0.115 0.000 2.348 450 D HA -0.105 4.536 4.640 0.001 0.000 0.216 450 D C 1.298 177.649 176.300 0.084 0.000 0.970 450 D CA 1.047 55.099 54.000 0.088 0.000 0.889 450 D CB 0.054 40.870 40.800 0.027 0.000 0.912 450 D HN 0.611 nan 8.370 nan 0.000 0.524 451 N N 0.592 119.340 118.700 0.079 0.000 2.290 451 N HA -0.079 4.661 4.740 0.001 0.000 0.179 451 N C 0.914 176.459 175.510 0.058 0.000 1.016 451 N CA 0.256 53.339 53.050 0.055 0.000 0.871 451 N CB -0.354 38.154 38.487 0.035 0.000 0.987 451 N HN 0.081 nan 8.380 nan 0.000 0.431 452 I N 1.586 122.203 120.570 0.078 0.000 2.648 452 I HA 0.122 4.292 4.170 0.001 0.000 0.284 452 I C -1.975 174.150 176.117 0.014 0.000 1.153 452 I CA -1.832 59.464 61.300 -0.007 0.000 1.426 452 I CB 0.297 38.224 38.000 -0.122 0.000 1.381 452 I HN 0.002 nan 8.210 nan 0.000 0.571 453 P HA 0.059 nan 4.420 nan 0.000 0.269 453 P C 0.177 177.519 177.300 0.070 0.000 1.215 453 P CA -0.166 62.954 63.100 0.033 0.000 0.780 453 P CB 0.566 32.273 31.700 0.012 0.000 0.898 454 E N 0.334 120.646 120.200 0.186 0.000 2.110 454 E HA -0.271 4.079 4.350 0.001 0.000 0.193 454 E C 1.719 178.483 176.600 0.273 0.000 0.988 454 E CA 0.885 57.480 56.400 0.325 0.000 0.804 454 E CB -0.410 29.418 29.700 0.213 0.000 0.745 454 E HN 0.580 nan 8.360 nan 0.000 0.458 455 H N 0.860 119.985 119.070 0.091 0.000 2.426 455 H HA -0.078 4.479 4.556 0.001 0.000 0.298 455 H C 1.736 177.093 175.328 0.048 0.000 1.107 455 H CA 1.578 57.667 56.048 0.069 0.000 1.298 455 H CB 0.046 29.807 29.762 -0.002 0.000 1.377 455 H HN 0.168 nan 8.280 nan 0.000 0.519 456 A N -0.451 122.419 122.820 0.083 0.000 2.209 456 A HA -0.045 4.275 4.320 0.001 0.000 0.212 456 A C 1.563 179.031 177.584 -0.193 0.000 1.158 456 A CA 0.506 52.481 52.037 -0.104 0.000 0.742 456 A CB -0.739 18.067 19.000 -0.323 0.000 0.790 456 A HN 0.301 nan 8.150 nan 0.000 0.472 457 F N -2.662 117.364 119.950 0.128 0.000 2.746 457 F HA 0.226 4.754 4.527 0.001 0.000 0.297 457 F C 0.618 176.522 175.800 0.173 0.000 1.113 457 F CA -0.659 57.441 58.000 0.166 0.000 1.367 457 F CB -0.215 38.845 39.000 0.100 0.000 1.111 457 F HN 0.283 nan 8.300 nan 0.000 0.590 458 Y N 1.393 121.773 120.300 0.134 0.000 2.402 458 Y HA 0.319 4.869 4.550 0.001 0.000 0.333 458 Y C 0.853 176.776 175.900 0.038 0.000 1.076 458 Y CA -1.559 56.556 58.100 0.026 0.000 1.299 458 Y CB 0.385 38.740 38.460 -0.175 0.000 1.197 458 Y HN 0.153 nan 8.280 nan 0.000 0.517 459 M N 4.987 124.547 119.600 -0.067 0.000 2.303 459 M HA -0.176 4.304 4.480 0.001 0.000 0.189 459 M C -1.898 174.465 176.300 0.104 0.000 0.688 459 M CA 0.696 56.025 55.300 0.048 0.000 0.479 459 M CB -1.268 31.471 32.600 0.233 0.000 1.094 459 M HN 0.368 nan 8.290 nan 0.000 0.907 460 V N 0.776 120.723 119.914 0.056 0.000 2.628 460 V HA 0.925 5.045 4.120 0.001 0.000 0.306 460 V C 1.046 177.117 176.094 -0.038 0.000 1.045 460 V CA 0.314 62.647 62.300 0.055 0.000 0.905 460 V CB 1.797 33.703 31.823 0.138 0.000 0.997 460 V HN 0.631 nan 8.190 nan 0.000 0.436 461 G N 4.492 113.283 108.800 -0.015 0.000 2.535 461 G HA2 0.319 4.280 3.960 0.001 0.000 0.210 461 G HA3 0.319 4.280 3.960 0.001 0.000 0.210 461 G C 0.669 175.541 174.900 -0.046 0.000 1.593 461 G CA 0.220 45.291 45.100 -0.049 0.000 0.948 461 G HN 1.235 nan 8.290 nan 0.000 0.476 462 G N -0.593 108.213 108.800 0.010 0.000 2.467 462 G HA2 0.338 4.299 3.960 0.001 0.000 0.257 462 G HA3 0.338 4.299 3.960 0.001 0.000 0.257 462 G C 0.768 175.736 174.900 0.113 0.000 1.227 462 G CA -0.230 44.901 45.100 0.052 0.000 0.835 462 G HN 0.363 nan 8.290 nan 0.000 0.556 463 I N 0.337 121.008 120.570 0.168 0.000 2.423 463 I HA -0.144 4.026 4.170 0.001 0.000 0.254 463 I C 2.326 178.445 176.117 0.003 0.000 1.151 463 I CA 1.531 62.918 61.300 0.144 0.000 1.421 463 I CB -0.218 37.843 38.000 0.101 0.000 1.079 463 I HN 0.739 nan 8.210 nan 0.000 0.431 464 E N 0.036 120.250 120.200 0.025 0.000 2.110 464 E HA -0.217 4.133 4.350 0.001 0.000 0.193 464 E C 1.600 178.193 176.600 -0.011 0.000 0.988 464 E CA 1.349 57.752 56.400 0.004 0.000 0.804 464 E CB -0.308 29.405 29.700 0.021 0.000 0.745 464 E HN 0.576 nan 8.360 nan 0.000 0.458 465 D N 0.569 120.975 120.400 0.009 0.000 2.264 465 D HA -0.099 4.542 4.640 0.001 0.000 0.208 465 D C 2.047 178.336 176.300 -0.018 0.000 0.966 465 D CA 0.591 54.595 54.000 0.006 0.000 0.864 465 D CB 0.110 40.926 40.800 0.026 0.000 0.933 465 D HN 0.059 nan 8.370 nan 0.000 0.499 466 V N 0.870 120.758 119.914 -0.042 0.000 2.244 466 V HA -0.207 3.913 4.120 0.001 0.000 0.244 466 V C 2.741 178.715 176.094 -0.199 0.000 1.042 466 V CA 1.083 63.291 62.300 -0.154 0.000 1.006 466 V CB -0.697 30.965 31.823 -0.268 0.000 0.641 466 V HN 0.045 nan 8.190 nan 0.000 0.446 467 V N 0.508 120.317 119.914 -0.176 0.000 2.407 467 V HA -0.231 3.890 4.120 0.001 0.000 0.248 467 V C 2.718 178.770 176.094 -0.070 0.000 1.055 467 V CA 1.855 64.085 62.300 -0.116 0.000 1.049 467 V CB -1.280 30.512 31.823 -0.053 0.000 0.662 467 V HN 0.542 nan 8.190 nan 0.000 0.455 468 A N 0.119 122.908 122.820 -0.052 0.000 1.858 468 A HA -0.271 4.050 4.320 0.001 0.000 0.216 468 A C 2.362 179.924 177.584 -0.036 0.000 1.190 468 A CA 2.214 54.232 52.037 -0.031 0.000 0.617 468 A CB -0.500 18.491 19.000 -0.016 0.000 0.827 468 A HN 0.511 nan 8.150 nan 0.000 0.443 469 K N -0.369 120.006 120.400 -0.042 0.000 2.211 469 K HA -0.025 4.295 4.320 0.001 0.000 0.203 469 K C 2.030 178.595 176.600 -0.059 0.000 1.050 469 K CA 1.058 57.324 56.287 -0.034 0.000 0.945 469 K CB -0.279 32.215 32.500 -0.010 0.000 0.732 469 K HN 0.374 nan 8.250 nan 0.000 0.451 470 A N 1.256 124.021 122.820 -0.091 0.000 1.930 470 A HA -0.153 4.167 4.320 0.001 0.000 0.217 470 A C 1.739 179.284 177.584 -0.066 0.000 1.175 470 A CA 1.458 53.437 52.037 -0.098 0.000 0.627 470 A CB -0.313 18.610 19.000 -0.129 0.000 0.815 470 A HN 0.444 nan 8.150 nan 0.000 0.443 471 E N -0.142 120.028 120.200 -0.051 0.000 2.152 471 E HA -0.129 4.221 4.350 0.001 0.000 0.192 471 E C 1.880 178.458 176.600 -0.036 0.000 0.983 471 E CA 1.011 57.389 56.400 -0.036 0.000 0.818 471 E CB -0.107 29.577 29.700 -0.026 0.000 0.758 471 E HN 0.574 nan 8.360 nan 0.000 0.467 472 K N 0.564 120.942 120.400 -0.038 0.000 2.211 472 K HA -0.066 4.254 4.320 0.001 0.000 0.203 472 K C 1.967 178.538 176.600 -0.049 0.000 1.050 472 K CA 0.714 56.979 56.287 -0.036 0.000 0.945 472 K CB 0.014 32.496 32.500 -0.030 0.000 0.732 472 K HN 0.141 nan 8.250 nan 0.000 0.451 473 L N 0.173 121.357 121.223 -0.064 0.000 2.395 473 L HA -0.025 4.315 4.340 0.001 0.000 0.218 473 L C 2.364 179.195 176.870 -0.065 0.000 1.130 473 L CA 0.234 55.023 54.840 -0.085 0.000 0.826 473 L CB -0.371 41.621 42.059 -0.112 0.000 0.941 473 L HN 0.157 nan 8.230 nan 0.000 0.451 474 A N 0.305 123.095 122.820 -0.049 0.000 1.929 474 A HA -0.030 4.290 4.320 0.001 0.000 0.216 474 A C 2.515 180.079 177.584 -0.033 0.000 1.176 474 A CA 1.394 53.409 52.037 -0.037 0.000 0.628 474 A CB -0.408 18.574 19.000 -0.030 0.000 0.816 474 A HN 0.342 nan 8.150 nan 0.000 0.444 475 A N -0.065 122.736 122.820 -0.032 0.000 2.014 475 A HA -0.067 4.253 4.320 0.001 0.000 0.218 475 A C 1.778 179.344 177.584 -0.030 0.000 1.163 475 A CA 1.369 53.389 52.037 -0.027 0.000 0.652 475 A CB -0.377 18.609 19.000 -0.023 0.000 0.808 475 A HN 0.624 nan 8.150 nan 0.000 0.449 476 E N 0.149 120.325 120.200 -0.040 0.000 2.358 476 E HA 0.183 4.534 4.350 0.001 0.000 0.195 476 E C 0.782 177.356 176.600 -0.042 0.000 1.010 476 E CA 0.185 56.559 56.400 -0.044 0.000 0.856 476 E CB -0.114 29.550 29.700 -0.061 0.000 0.795 476 E HN 0.559 nan 8.360 nan 0.000 0.504 477 A N 1.921 124.716 122.820 -0.041 0.000 2.451 477 A HA 0.170 4.491 4.320 0.001 0.000 0.266 477 A C -0.048 177.520 177.584 -0.026 0.000 1.119 477 A CA -0.221 51.795 52.037 -0.035 0.000 0.786 477 A CB 0.190 19.169 19.000 -0.034 0.000 1.061 477 A HN 0.059 nan 8.150 nan 0.000 0.503 478 N N 0.000 118.686 118.700 -0.023 0.000 1.763 478 N HA 0.000 4.740 4.740 0.001 0.000 0.220 478 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 478 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 478 N HN 0.000 nan 8.380 nan 0.000 0.667