REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3fks_1_X 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 VAKAEKLAA 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 0.000 174.707 174.700 0.011 0.000 1.109 7 T CA 0.000 62.104 62.100 0.006 0.000 1.349 7 T CB 0.000 68.870 68.868 0.004 0.000 0.612 8 P HA 0.582 nan 4.420 nan 0.000 0.278 8 P C -0.770 176.559 177.300 0.048 0.000 1.238 8 P CA -0.832 62.287 63.100 0.032 0.000 0.794 8 P CB 0.486 32.203 31.700 0.030 0.000 0.955 9 I N 1.891 122.510 120.570 0.082 0.000 2.330 9 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 9 I C 0.941 177.171 176.117 0.188 0.000 1.001 9 I CA -0.610 60.775 61.300 0.141 0.000 1.193 9 I CB 0.617 38.708 38.000 0.152 0.000 1.345 9 I HN 0.460 nan 8.210 nan 0.000 0.461 10 T N 2.811 117.430 114.554 0.109 0.000 2.906 10 T HA 0.481 4.831 4.350 -0.000 0.000 0.320 10 T C 0.416 175.064 174.700 -0.086 0.000 1.088 10 T CA -0.506 61.609 62.100 0.026 0.000 1.120 10 T CB 1.207 70.078 68.868 0.005 0.000 1.000 10 T HN 0.852 nan 8.240 nan 0.000 0.550 11 G N 0.857 109.540 108.800 -0.196 0.000 2.620 11 G HA2 0.593 4.553 3.960 -0.000 0.000 0.301 11 G HA3 0.593 4.553 3.960 -0.000 0.000 0.301 11 G C -1.290 173.453 174.900 -0.263 0.000 1.347 11 G CA -0.919 43.915 45.100 -0.443 0.000 0.971 11 G HN 0.579 nan 8.290 nan 0.000 0.488 12 K N 1.494 121.732 120.400 -0.270 0.000 2.502 12 K HA 0.381 4.701 4.320 -0.000 0.000 0.254 12 K C -0.523 176.013 176.600 -0.105 0.000 0.947 12 K CA -0.653 55.562 56.287 -0.120 0.000 0.834 12 K CB 2.187 34.670 32.500 -0.028 0.000 1.112 12 K HN 0.302 nan 8.250 nan 0.000 0.427 13 V N 3.622 123.487 119.914 -0.082 0.000 2.470 13 V HA 0.024 4.144 4.120 -0.000 0.000 0.276 13 V C 1.635 177.703 176.094 -0.043 0.000 1.040 13 V CA 0.427 62.690 62.300 -0.061 0.000 1.008 13 V CB 0.738 32.532 31.823 -0.049 0.000 0.990 13 V HN 0.944 nan 8.190 nan 0.000 0.477 14 T N 2.032 116.565 114.554 -0.036 0.000 3.087 14 T HA 0.466 4.816 4.350 -0.000 0.000 0.237 14 T C 0.571 175.255 174.700 -0.027 0.000 0.990 14 T CA 0.527 62.607 62.100 -0.033 0.000 1.160 14 T CB 0.423 69.271 68.868 -0.033 0.000 0.923 14 T HN 0.859 nan 8.240 nan 0.000 0.442 15 A N 0.712 123.519 122.820 -0.021 0.000 2.414 15 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 15 A C -1.264 176.312 177.584 -0.013 0.000 1.054 15 A CA -0.691 51.337 52.037 -0.016 0.000 0.724 15 A CB 2.096 21.089 19.000 -0.012 0.000 1.267 15 A HN 0.348 nan 8.150 nan 0.000 0.418 16 V N 4.374 124.281 119.914 -0.012 0.000 2.385 16 V HA 0.318 4.438 4.120 -0.000 0.000 0.277 16 V C -0.969 175.120 176.094 -0.008 0.000 1.012 16 V CA -0.279 62.015 62.300 -0.010 0.000 0.832 16 V CB 0.947 32.764 31.823 -0.011 0.000 1.028 16 V HN 0.703 nan 8.190 nan 0.000 0.436 17 I N 3.861 124.428 120.570 -0.006 0.000 2.354 17 I HA 0.613 4.783 4.170 -0.000 0.000 0.286 17 I C 1.249 177.363 176.117 -0.005 0.000 1.007 17 I CA 0.384 61.681 61.300 -0.005 0.000 1.167 17 I CB 0.496 38.493 38.000 -0.004 0.000 1.320 17 I HN 0.722 nan 8.210 nan 0.000 0.458 18 G N 6.073 114.871 108.800 -0.005 0.000 2.793 18 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.334 18 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.334 18 G C 0.645 175.542 174.900 -0.004 0.000 1.186 18 G CA 0.927 46.024 45.100 -0.004 0.000 0.960 18 G HN 0.952 nan 8.290 nan 0.000 0.562 19 A N -0.832 121.986 122.820 -0.003 0.000 2.589 19 A HA 0.718 5.038 4.320 -0.000 0.000 0.283 19 A C 0.106 177.690 177.584 0.000 0.000 1.187 19 A CA 0.213 52.249 52.037 -0.001 0.000 0.957 19 A CB 0.367 19.366 19.000 -0.002 0.000 1.175 19 A HN 0.652 nan 8.150 nan 0.000 0.532 20 I N 0.744 121.314 120.570 -0.001 0.000 2.362 20 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 20 I C -0.469 175.649 176.117 0.000 0.000 0.994 20 I CA -0.483 60.818 61.300 0.002 0.000 1.158 20 I CB 1.844 39.845 38.000 0.002 0.000 1.315 20 I HN -0.038 nan 8.210 nan 0.000 0.451 21 V N 5.497 125.412 119.914 0.002 0.000 2.513 21 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 21 V C -0.695 175.398 176.094 -0.002 0.000 1.035 21 V CA -0.754 61.544 62.300 -0.002 0.000 0.889 21 V CB 1.861 33.682 31.823 -0.004 0.000 0.988 21 V HN 0.531 nan 8.190 nan 0.000 0.440 22 D N 2.916 123.312 120.400 -0.007 0.000 2.278 22 D HA 0.644 5.284 4.640 -0.000 0.000 0.245 22 D C -0.697 175.590 176.300 -0.021 0.000 1.052 22 D CA -0.093 53.904 54.000 -0.005 0.000 0.834 22 D CB 2.284 43.084 40.800 -0.001 0.000 1.194 22 D HN 0.253 nan 8.370 nan 0.000 0.481 23 V N 1.810 121.709 119.914 -0.026 0.000 2.735 23 V HA 0.315 4.435 4.120 -0.000 0.000 0.310 23 V C -0.664 175.378 176.094 -0.088 0.000 1.061 23 V CA -0.836 61.404 62.300 -0.101 0.000 0.913 23 V CB 2.159 33.876 31.823 -0.177 0.000 1.005 23 V HN 0.566 nan 8.190 nan 0.000 0.428 24 H N 2.839 121.752 119.070 -0.262 0.000 2.492 24 H HA 0.744 5.300 4.556 -0.000 0.000 0.345 24 H C -1.576 173.534 175.328 -0.364 0.000 1.136 24 H CA -0.557 55.382 56.048 -0.182 0.000 1.202 24 H CB 1.387 31.091 29.762 -0.097 0.000 1.524 24 H HN 0.424 nan 8.280 nan 0.000 0.506 25 F N 1.782 121.274 119.950 -0.764 0.000 2.556 25 F HA 0.262 4.789 4.527 -0.000 0.000 0.327 25 F C 1.283 176.698 175.800 -0.641 0.000 1.059 25 F CA -0.653 57.038 58.000 -0.515 0.000 0.953 25 F CB 1.861 40.694 39.000 -0.278 0.000 1.227 25 F HN 0.598 nan 8.300 nan 0.000 0.478 26 E N 0.349 120.507 120.200 -0.070 0.000 2.060 26 E HA -0.048 4.302 4.350 -0.000 0.000 0.189 26 E C 0.283 176.890 176.600 0.011 0.000 0.974 26 E CA 0.713 57.102 56.400 -0.019 0.000 0.808 26 E CB -0.146 29.572 29.700 0.031 0.000 0.768 26 E HN 0.734 nan 8.360 nan 0.000 0.453 27 Q N -0.341 119.472 119.800 0.021 0.000 2.207 27 Q HA 0.434 4.774 4.340 -0.000 0.000 0.237 27 Q C 0.894 176.890 176.000 -0.006 0.000 0.998 27 Q CA -0.489 55.322 55.803 0.012 0.000 0.951 27 Q CB 0.889 29.632 28.738 0.009 0.000 1.213 27 Q HN -0.287 nan 8.270 nan 0.000 0.499 28 S N -0.132 115.564 115.700 -0.007 0.000 2.500 28 S HA -0.087 4.383 4.470 -0.000 0.000 0.239 28 S C -0.280 174.293 174.600 -0.045 0.000 0.989 28 S CA 0.922 59.115 58.200 -0.012 0.000 0.951 28 S CB -0.187 63.010 63.200 -0.004 0.000 0.759 28 S HN 0.433 nan 8.310 nan 0.000 0.523 29 E N 1.310 121.467 120.200 -0.072 0.000 2.029 29 E HA 0.359 4.709 4.350 -0.000 0.000 0.276 29 E C -1.069 175.361 176.600 -0.284 0.000 1.163 29 E CA 0.172 56.495 56.400 -0.129 0.000 0.909 29 E CB 0.143 29.779 29.700 -0.106 0.000 1.046 29 E HN 0.113 nan 8.360 nan 0.000 0.406 30 L N 5.538 126.600 121.223 -0.269 0.000 2.365 30 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 30 L C -2.108 174.584 176.870 -0.296 0.000 1.000 30 L CA -2.056 52.504 54.840 -0.466 0.000 0.819 30 L CB 1.505 43.415 42.059 -0.248 0.000 1.284 30 L HN 0.378 nan 8.230 nan 0.000 0.418 31 P HA 0.194 nan 4.420 nan 0.000 0.267 31 P C -0.541 176.788 177.300 0.050 0.000 1.205 31 P CA -0.237 62.759 63.100 -0.173 0.000 0.765 31 P CB 1.023 32.619 31.700 -0.174 0.000 0.828 32 A N 4.524 127.393 122.820 0.081 0.000 2.260 32 A HA 0.386 4.706 4.320 -0.000 0.000 0.278 32 A C 0.784 178.436 177.584 0.114 0.000 1.269 32 A CA -0.564 51.560 52.037 0.144 0.000 0.824 32 A CB -0.121 18.875 19.000 -0.007 0.000 1.238 32 A HN 0.492 nan 8.150 nan 0.000 0.507 33 I N -0.417 120.182 120.570 0.049 0.000 2.882 33 I HA 0.117 4.287 4.170 -0.000 0.000 0.286 33 I C 1.329 177.413 176.117 -0.054 0.000 1.139 33 I CA 0.597 61.905 61.300 0.012 0.000 1.379 33 I CB 0.015 38.002 38.000 -0.022 0.000 1.410 33 I HN 0.781 nan 8.210 nan 0.000 0.594 34 L N -0.129 121.036 121.223 -0.095 0.000 4.977 34 L HA -0.322 4.017 4.340 -0.000 0.000 0.398 34 L C 0.446 177.285 176.870 -0.051 0.000 0.818 34 L CA 0.836 55.563 54.840 -0.188 0.000 2.090 34 L CB -1.510 40.328 42.059 -0.367 0.000 1.320 34 L HN 0.648 nan 8.230 nan 0.000 0.615 35 N N 0.707 119.398 118.700 -0.015 0.000 2.371 35 N HA 0.514 5.254 4.740 -0.000 0.000 0.243 35 N C 0.195 175.725 175.510 0.033 0.000 1.287 35 N CA 0.780 53.838 53.050 0.013 0.000 0.911 35 N CB 0.453 38.945 38.487 0.008 0.000 1.142 35 N HN 0.357 nan 8.380 nan 0.000 0.451 36 A N 0.485 123.328 122.820 0.039 0.000 2.311 36 A HA 0.826 5.146 4.320 -0.000 0.000 0.334 36 A C -0.718 176.897 177.584 0.051 0.000 1.139 36 A CA -0.532 51.533 52.037 0.046 0.000 0.830 36 A CB 0.641 19.667 19.000 0.044 0.000 1.234 36 A HN 0.535 nan 8.150 nan 0.000 0.483 37 L N 0.024 121.279 121.223 0.052 0.000 2.359 37 L HA 0.644 4.984 4.340 -0.000 0.000 0.256 37 L C -0.567 176.327 176.870 0.039 0.000 1.026 37 L CA -0.527 54.347 54.840 0.058 0.000 0.828 37 L CB 2.509 44.612 42.059 0.073 0.000 1.406 37 L HN 0.825 nan 8.230 nan 0.000 0.413 38 E N 1.608 121.828 120.200 0.033 0.000 2.331 38 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 38 E C -1.591 175.015 176.600 0.011 0.000 0.895 38 E CA -0.746 55.666 56.400 0.020 0.000 0.753 38 E CB 3.191 32.903 29.700 0.019 0.000 1.216 38 E HN 0.215 nan 8.360 nan 0.000 0.434 39 I N 1.749 122.322 120.570 0.004 0.000 2.474 39 I HA 0.275 4.445 4.170 -0.000 0.000 0.294 39 I C -0.044 176.072 176.117 -0.002 0.000 1.005 39 I CA -0.914 60.384 61.300 -0.004 0.000 1.113 39 I CB 1.539 39.534 38.000 -0.009 0.000 1.289 39 I HN 0.375 nan 8.210 nan 0.000 0.436 40 K N 3.361 123.759 120.400 -0.004 0.000 2.336 40 K HA 0.218 4.538 4.320 -0.000 0.000 0.290 40 K C 0.140 176.738 176.600 -0.004 0.000 1.067 40 K CA 0.105 56.391 56.287 -0.003 0.000 0.962 40 K CB 0.401 32.899 32.500 -0.004 0.000 1.008 40 K HN 0.619 nan 8.250 nan 0.000 0.467 41 T N 2.257 116.809 114.554 -0.003 0.000 2.863 41 T HA 0.307 4.657 4.350 -0.000 0.000 0.285 41 T C -1.701 172.998 174.700 -0.002 0.000 1.009 41 T CA -2.386 59.712 62.100 -0.003 0.000 0.989 41 T CB 1.251 70.117 68.868 -0.003 0.000 1.004 41 T HN 0.269 nan 8.240 nan 0.000 0.455 42 P HA -0.104 nan 4.420 nan 0.000 0.220 42 P C 0.858 178.157 177.300 -0.002 0.000 1.144 42 P CA 1.145 64.244 63.100 -0.002 0.000 0.800 42 P CB 0.308 32.007 31.700 -0.003 0.000 0.772 43 Q N -1.149 118.650 119.800 -0.002 0.000 2.376 43 Q HA 0.259 4.599 4.340 -0.000 0.000 0.206 43 Q C 1.381 177.380 176.000 -0.001 0.000 0.921 43 Q CA 0.798 56.599 55.803 -0.002 0.000 0.911 43 Q CB 0.444 29.180 28.738 -0.002 0.000 1.032 43 Q HN 0.304 nan 8.270 nan 0.000 0.510 44 G N 1.229 110.028 108.800 -0.000 0.000 2.492 44 G HA2 0.032 3.991 3.960 -0.000 0.000 0.065 44 G HA3 0.032 3.991 3.960 -0.000 0.000 0.065 44 G C -1.520 173.381 174.900 0.002 0.000 0.956 44 G CA -0.586 44.514 45.100 0.001 0.000 1.223 44 G HN 0.085 nan 8.290 nan 0.000 0.511 45 K N 0.184 120.586 120.400 0.003 0.000 2.687 45 K HA 0.651 4.971 4.320 -0.000 0.000 0.249 45 K C -1.435 175.169 176.600 0.006 0.000 0.994 45 K CA -0.822 55.468 56.287 0.004 0.000 0.913 45 K CB 2.290 34.794 32.500 0.006 0.000 1.202 45 K HN 0.421 nan 8.250 nan 0.000 0.460 46 L N 4.601 125.827 121.223 0.005 0.000 2.536 46 L HA 0.052 4.392 4.340 -0.000 0.000 0.282 46 L C 0.020 176.896 176.870 0.010 0.000 1.147 46 L CA -0.121 54.723 54.840 0.006 0.000 0.936 46 L CB 0.509 42.570 42.059 0.003 0.000 1.279 46 L HN 0.562 nan 8.230 nan 0.000 0.461 47 V N 3.229 123.152 119.914 0.014 0.000 3.185 47 V HA 0.439 4.559 4.120 -0.000 0.000 0.305 47 V C 0.260 176.368 176.094 0.023 0.000 1.090 47 V CA -0.672 61.640 62.300 0.020 0.000 1.107 47 V CB 0.898 32.734 31.823 0.022 0.000 1.061 47 V HN 0.605 nan 8.190 nan 0.000 0.480 48 L N 0.643 121.884 121.223 0.030 0.000 2.491 48 L HA 0.681 5.021 4.340 -0.000 0.000 0.254 48 L C -0.691 176.206 176.870 0.044 0.000 1.048 48 L CA -0.527 54.334 54.840 0.034 0.000 0.855 48 L CB 2.454 44.532 42.059 0.031 0.000 1.466 48 L HN 0.894 nan 8.230 nan 0.000 0.409 49 E N 0.759 120.987 120.200 0.046 0.000 2.343 49 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 49 E C -1.549 175.077 176.600 0.043 0.000 0.908 49 E CA -0.545 55.886 56.400 0.052 0.000 0.814 49 E CB 1.914 31.657 29.700 0.072 0.000 1.302 49 E HN 0.304 nan 8.360 nan 0.000 0.408 50 V N 3.646 123.585 119.914 0.042 0.000 2.557 50 V HA 0.079 4.199 4.120 -0.000 0.000 0.301 50 V C 1.003 177.120 176.094 0.038 0.000 1.026 50 V CA 1.301 63.626 62.300 0.042 0.000 1.137 50 V CB 0.773 32.624 31.823 0.047 0.000 0.917 50 V HN 0.856 nan 8.190 nan 0.000 0.484 51 A N 4.220 127.066 122.820 0.043 0.000 2.070 51 A HA 0.299 4.619 4.320 -0.000 0.000 0.202 51 A C 0.632 178.251 177.584 0.059 0.000 1.277 51 A CA 0.286 52.346 52.037 0.038 0.000 0.872 51 A CB 0.365 19.383 19.000 0.030 0.000 0.933 51 A HN 0.894 nan 8.150 nan 0.000 0.475 52 Q N -0.640 119.210 119.800 0.083 0.000 2.327 52 Q HA 0.308 4.648 4.340 -0.000 0.000 0.265 52 Q C -1.760 174.332 176.000 0.153 0.000 0.993 52 Q CA -0.637 55.234 55.803 0.114 0.000 0.885 52 Q CB 0.521 29.300 28.738 0.068 0.000 1.379 52 Q HN 0.450 nan 8.270 nan 0.000 0.408 53 H N 3.778 122.858 119.070 0.016 0.000 3.224 53 H HA 0.125 4.681 4.556 -0.000 0.000 0.265 53 H C 0.951 176.298 175.328 0.031 0.000 1.461 53 H CA -0.028 56.035 56.048 0.026 0.000 1.509 53 H CB 0.595 30.364 29.762 0.012 0.000 1.686 53 H HN 0.611 nan 8.280 nan 0.000 0.514 54 L N 2.310 123.586 121.223 0.089 0.000 2.043 54 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 54 L C 1.359 178.274 176.870 0.075 0.000 1.075 54 L CA 1.399 56.280 54.840 0.068 0.000 0.752 54 L CB -0.169 41.917 42.059 0.045 0.000 0.891 54 L HN 0.791 nan 8.230 nan 0.000 0.432 55 G N -1.815 107.037 108.800 0.087 0.000 2.347 55 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.477 55 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.477 55 G C -0.520 174.438 174.900 0.096 0.000 1.349 55 G CA -0.509 44.644 45.100 0.090 0.000 1.000 55 G HN 0.171 nan 8.290 nan 0.000 0.605 56 E N 0.152 120.409 120.200 0.095 0.000 2.199 56 E HA -0.255 4.095 4.350 -0.000 0.000 0.208 56 E C 0.484 177.203 176.600 0.198 0.000 1.310 56 E CA 0.698 57.168 56.400 0.117 0.000 0.709 56 E CB -0.931 28.819 29.700 0.084 0.000 1.127 56 E HN 0.960 nan 8.360 nan 0.000 0.354 57 N N -1.081 117.711 118.700 0.152 0.000 2.725 57 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 57 N C -1.042 174.568 175.510 0.168 0.000 1.103 57 N CA 1.967 55.085 53.050 0.114 0.000 0.707 57 N CB -1.089 37.425 38.487 0.045 0.000 1.043 57 N HN 0.345 nan 8.380 nan 0.000 0.553 58 T N -0.857 113.796 114.554 0.165 0.000 2.881 58 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 58 T C 0.266 174.986 174.700 0.034 0.000 1.000 58 T CA -0.661 61.529 62.100 0.151 0.000 0.978 58 T CB 2.547 71.512 68.868 0.161 0.000 0.997 58 T HN 0.119 nan 8.240 nan 0.000 0.443 59 V N 0.881 120.805 119.914 0.017 0.000 2.960 59 V HA 0.807 4.926 4.120 -0.000 0.000 0.315 59 V C -0.409 175.686 176.094 0.003 0.000 1.087 59 V CA -1.442 60.828 62.300 -0.050 0.000 0.982 59 V CB 2.003 33.755 31.823 -0.119 0.000 1.039 59 V HN 0.883 nan 8.190 nan 0.000 0.437 60 R N 1.437 121.942 120.500 0.008 0.000 2.494 60 R HA 0.749 5.089 4.340 -0.000 0.000 0.305 60 R C -0.413 175.901 176.300 0.023 0.000 0.959 60 R CA 0.161 56.272 56.100 0.018 0.000 0.864 60 R CB 1.807 32.120 30.300 0.022 0.000 1.159 60 R HN 1.155 nan 8.270 nan 0.000 0.446 61 T N 1.813 116.380 114.554 0.021 0.000 2.924 61 T HA 0.534 4.884 4.350 -0.000 0.000 0.291 61 T C -0.082 174.630 174.700 0.020 0.000 1.045 61 T CA -0.950 61.165 62.100 0.025 0.000 1.015 61 T CB 1.313 70.198 68.868 0.028 0.000 1.103 61 T HN 0.297 nan 8.240 nan 0.000 0.496 62 I N 1.560 122.145 120.570 0.025 0.000 2.377 62 I HA 0.571 4.741 4.170 -0.000 0.000 0.293 62 I C 0.558 176.688 176.117 0.022 0.000 0.987 62 I CA -1.166 60.146 61.300 0.020 0.000 1.185 62 I CB 0.779 38.793 38.000 0.023 0.000 1.341 62 I HN 0.999 nan 8.210 nan 0.000 0.455 63 A N 5.590 128.419 122.820 0.015 0.000 2.301 63 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 63 A C 0.811 178.404 177.584 0.015 0.000 1.185 63 A CA -0.403 51.643 52.037 0.014 0.000 0.830 63 A CB 0.830 19.835 19.000 0.009 0.000 1.112 63 A HN 0.700 nan 8.150 nan 0.000 0.508 64 M N 0.822 120.433 119.600 0.019 0.000 2.236 64 M HA 0.064 4.544 4.480 -0.000 0.000 0.266 64 M C 0.288 176.596 176.300 0.014 0.000 1.070 64 M CA 1.372 56.683 55.300 0.019 0.000 1.137 64 M CB -0.220 32.393 32.600 0.022 0.000 1.378 64 M HN 0.708 nan 8.290 nan 0.000 0.426 65 D N -1.213 119.194 120.400 0.012 0.000 2.494 65 D HA 0.435 5.075 4.640 -0.000 0.000 0.259 65 D C 0.050 176.354 176.300 0.006 0.000 1.109 65 D CA -0.299 53.706 54.000 0.008 0.000 1.040 65 D CB 0.568 41.372 40.800 0.007 0.000 1.175 65 D HN 0.136 nan 8.370 nan 0.000 0.584 66 G N -0.842 107.960 108.800 0.004 0.000 2.432 66 G HA2 0.215 4.175 3.960 -0.000 0.000 0.239 66 G HA3 0.215 4.175 3.960 -0.000 0.000 0.239 66 G C 0.886 175.787 174.900 0.000 0.000 1.291 66 G CA 0.017 45.118 45.100 0.002 0.000 0.863 66 G HN 0.422 nan 8.290 nan 0.000 0.560 67 T N -1.296 113.258 114.554 -0.001 0.000 3.086 67 T HA 0.134 4.484 4.350 -0.000 0.000 0.250 67 T C 0.803 175.501 174.700 -0.004 0.000 1.074 67 T CA 0.171 62.270 62.100 -0.003 0.000 0.988 67 T CB -0.275 68.591 68.868 -0.003 0.000 0.988 67 T HN 0.761 nan 8.240 nan 0.000 0.530 68 E N 1.516 121.714 120.200 -0.003 0.000 2.452 68 E HA 0.359 4.709 4.350 -0.000 0.000 0.261 68 E C 0.913 177.510 176.600 -0.005 0.000 0.987 68 E CA 0.057 56.455 56.400 -0.004 0.000 0.926 68 E CB -0.336 29.363 29.700 -0.003 0.000 0.934 68 E HN 0.346 nan 8.360 nan 0.000 0.452 69 G N 3.218 112.015 108.800 -0.006 0.000 2.248 69 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.263 69 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.263 69 G C -0.297 174.598 174.900 -0.008 0.000 1.082 69 G CA -0.051 45.045 45.100 -0.006 0.000 0.863 69 G HN 0.453 nan 8.290 nan 0.000 0.495 70 L N 0.289 121.506 121.223 -0.009 0.000 2.305 70 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 70 L C 0.431 177.293 176.870 -0.013 0.000 1.013 70 L CA -1.192 53.642 54.840 -0.011 0.000 0.819 70 L CB 1.923 43.975 42.059 -0.011 0.000 1.227 70 L HN -0.004 nan 8.230 nan 0.000 0.417 71 V N 3.438 123.344 119.914 -0.015 0.000 2.612 71 V HA 0.380 4.500 4.120 -0.000 0.000 0.301 71 V C 0.272 176.354 176.094 -0.020 0.000 1.046 71 V CA -0.837 61.453 62.300 -0.016 0.000 0.946 71 V CB 1.758 33.572 31.823 -0.015 0.000 1.003 71 V HN 0.676 nan 8.190 nan 0.000 0.459 72 R N 2.508 122.995 120.500 -0.021 0.000 2.296 72 R HA 0.497 4.837 4.340 -0.000 0.000 0.323 72 R C 1.038 177.320 176.300 -0.029 0.000 1.067 72 R CA 0.771 56.856 56.100 -0.026 0.000 0.946 72 R CB 0.376 30.660 30.300 -0.026 0.000 0.991 72 R HN 1.153 nan 8.270 nan 0.000 0.448 73 G N 1.654 110.433 108.800 -0.035 0.000 2.227 73 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.168 73 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.168 73 G C -0.064 174.813 174.900 -0.039 0.000 1.006 73 G CA -0.713 44.365 45.100 -0.036 0.000 0.684 73 G HN 0.465 nan 8.290 nan 0.000 0.489 74 E N 0.803 120.979 120.200 -0.040 0.000 2.418 74 E HA 0.167 4.517 4.350 -0.000 0.000 0.261 74 E C 0.594 177.162 176.600 -0.053 0.000 1.070 74 E CA 0.008 56.384 56.400 -0.039 0.000 0.931 74 E CB 0.781 30.461 29.700 -0.033 0.000 0.954 74 E HN 0.414 nan 8.360 nan 0.000 0.439 75 K N 0.950 121.324 120.400 -0.043 0.000 2.350 75 K HA 0.152 4.472 4.320 -0.000 0.000 0.279 75 K C -0.901 175.667 176.600 -0.053 0.000 1.027 75 K CA -0.196 56.062 56.287 -0.048 0.000 0.969 75 K CB 0.551 33.034 32.500 -0.027 0.000 0.954 75 K HN 0.125 nan 8.250 nan 0.000 0.474 76 V N 5.982 125.851 119.914 -0.075 0.000 2.407 76 V HA 0.242 4.362 4.120 -0.000 0.000 0.291 76 V C -0.715 175.379 176.094 0.001 0.000 1.018 76 V CA -0.991 61.272 62.300 -0.062 0.000 0.842 76 V CB 1.209 32.941 31.823 -0.150 0.000 0.996 76 V HN 0.614 nan 8.190 nan 0.000 0.426 77 L N 4.111 125.350 121.223 0.026 0.000 2.275 77 L HA 0.587 4.927 4.340 -0.000 0.000 0.288 77 L C -0.144 176.771 176.870 0.074 0.000 1.046 77 L CA 0.290 55.160 54.840 0.049 0.000 0.805 77 L CB 1.354 43.431 42.059 0.029 0.000 1.193 77 L HN 0.723 nan 8.230 nan 0.000 0.426 78 D N 1.747 122.204 120.400 0.095 0.000 2.225 78 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 78 D C 0.620 176.948 176.300 0.046 0.000 1.052 78 D CA -0.025 54.027 54.000 0.086 0.000 0.909 78 D CB 1.634 42.484 40.800 0.083 0.000 1.186 78 D HN 0.675 nan 8.370 nan 0.000 0.431 79 T N 1.261 115.837 114.554 0.037 0.000 3.044 79 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 79 T C 1.330 176.038 174.700 0.014 0.000 1.073 79 T CA 0.457 62.571 62.100 0.024 0.000 1.125 79 T CB 0.020 68.903 68.868 0.026 0.000 0.908 79 T HN 0.707 nan 8.240 nan 0.000 0.480 80 G N 0.687 109.492 108.800 0.008 0.000 2.157 80 G HA2 0.116 4.076 3.960 -0.000 0.000 0.239 80 G HA3 0.116 4.076 3.960 -0.000 0.000 0.239 80 G C 0.338 175.237 174.900 -0.002 0.000 0.982 80 G CA -0.207 44.891 45.100 -0.004 0.000 0.650 80 G HN 1.017 nan 8.290 nan 0.000 0.527 81 G N -1.491 107.313 108.800 0.007 0.000 2.342 81 G HA2 0.680 4.640 3.960 -0.000 0.000 0.297 81 G HA3 0.680 4.640 3.960 -0.000 0.000 0.297 81 G C -3.167 171.748 174.900 0.025 0.000 1.313 81 G CA 0.097 45.203 45.100 0.011 0.000 0.830 81 G HN 0.266 nan 8.290 nan 0.000 0.506 82 P HA 0.348 nan 4.420 nan 0.000 0.274 82 P C -0.161 177.178 177.300 0.066 0.000 1.264 82 P CA -0.391 62.752 63.100 0.072 0.000 0.795 82 P CB 0.399 32.167 31.700 0.113 0.000 1.064 83 I N 0.053 120.674 120.570 0.084 0.000 2.389 83 I HA 0.028 4.198 4.170 -0.000 0.000 0.295 83 I C 0.448 176.585 176.117 0.033 0.000 1.117 83 I CA 0.915 62.246 61.300 0.051 0.000 1.317 83 I CB -0.886 37.144 38.000 0.050 0.000 1.431 83 I HN 0.063 nan 8.210 nan 0.000 0.521 84 S N 5.839 121.550 115.700 0.018 0.000 2.474 84 S HA 0.449 4.919 4.470 -0.000 0.000 0.276 84 S C 0.015 174.608 174.600 -0.013 0.000 1.227 84 S CA -0.773 57.429 58.200 0.002 0.000 1.050 84 S CB 0.750 63.949 63.200 -0.002 0.000 0.939 84 S HN 0.452 nan 8.310 nan 0.000 0.490 85 V N 2.253 122.152 119.914 -0.026 0.000 2.435 85 V HA 0.580 4.700 4.120 -0.000 0.000 0.290 85 V C -2.901 173.155 176.094 -0.063 0.000 1.030 85 V CA -3.230 59.049 62.300 -0.036 0.000 0.881 85 V CB 0.888 32.691 31.823 -0.035 0.000 0.983 85 V HN 0.450 nan 8.190 nan 0.000 0.445 86 P HA 0.195 nan 4.420 nan 0.000 0.261 86 P C -0.344 176.862 177.300 -0.157 0.000 1.183 86 P CA 0.359 63.396 63.100 -0.105 0.000 0.761 86 P CB 0.627 32.282 31.700 -0.075 0.000 0.785 87 V N 1.533 121.278 119.914 -0.281 0.000 2.604 87 V HA 1.029 5.149 4.120 -0.000 0.000 0.305 87 V C 0.130 175.750 176.094 -0.791 0.000 1.043 87 V CA -0.178 61.839 62.300 -0.472 0.000 0.888 87 V CB 1.540 33.048 31.823 -0.525 0.000 0.995 87 V HN 0.851 nan 8.190 nan 0.000 0.429 88 G N 4.010 112.368 108.800 -0.737 0.000 2.362 88 G HA2 0.132 4.092 3.960 -0.000 0.000 0.288 88 G HA3 0.132 4.092 3.960 -0.000 0.000 0.288 88 G C -0.306 174.426 174.900 -0.280 0.000 1.305 88 G CA -0.378 44.337 45.100 -0.642 0.000 0.910 88 G HN 0.742 nan 8.290 nan 0.000 0.518 89 R N 0.030 120.432 120.500 -0.163 0.000 2.313 89 R HA 0.114 4.454 4.340 -0.000 0.000 0.199 89 R C 1.533 177.836 176.300 0.005 0.000 0.958 89 R CA 0.646 56.724 56.100 -0.037 0.000 1.047 89 R CB 0.206 30.484 30.300 -0.037 0.000 0.955 89 R HN 0.451 nan 8.270 nan 0.000 0.481 90 E N 0.276 120.458 120.200 -0.029 0.000 2.285 90 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 90 E C 1.844 178.453 176.600 0.014 0.000 0.997 90 E CA 1.500 57.895 56.400 -0.008 0.000 0.845 90 E CB 0.125 29.806 29.700 -0.032 0.000 0.782 90 E HN 0.385 nan 8.360 nan 0.000 0.491 91 T N -0.810 113.754 114.554 0.016 0.000 2.995 91 T HA 0.006 4.356 4.350 -0.000 0.000 0.269 91 T C 1.316 176.064 174.700 0.080 0.000 1.091 91 T CA 0.015 62.142 62.100 0.044 0.000 1.128 91 T CB -0.310 68.584 68.868 0.044 0.000 0.891 91 T HN -0.032 nan 8.240 nan 0.000 0.492 92 L N 2.250 123.529 121.223 0.094 0.000 2.584 92 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 92 L C 1.590 178.518 176.870 0.096 0.000 1.195 92 L CA 0.990 55.888 54.840 0.097 0.000 0.920 92 L CB -0.267 41.853 42.059 0.102 0.000 1.173 92 L HN 0.623 nan 8.230 nan 0.000 0.489 93 G N 2.379 111.245 108.800 0.110 0.000 2.141 93 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 93 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 93 G C 0.033 175.022 174.900 0.148 0.000 0.982 93 G CA -0.524 44.650 45.100 0.123 0.000 0.662 93 G HN 0.479 nan 8.290 nan 0.000 0.527 94 R N -0.088 120.491 120.500 0.132 0.000 2.561 94 R HA 0.602 4.942 4.340 -0.000 0.000 0.297 94 R C 0.091 176.463 176.300 0.120 0.000 0.969 94 R CA -1.024 55.145 56.100 0.114 0.000 0.879 94 R CB 1.192 31.536 30.300 0.074 0.000 1.178 94 R HN 0.288 nan 8.270 nan 0.000 0.445 95 I N 5.018 125.647 120.570 0.098 0.000 2.325 95 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 95 I C 0.908 177.072 176.117 0.078 0.000 1.019 95 I CA -0.474 60.894 61.300 0.113 0.000 1.302 95 I CB 0.572 38.590 38.000 0.030 0.000 1.401 95 I HN 0.462 nan 8.210 nan 0.000 0.485 96 I N 2.681 123.308 120.570 0.094 0.000 3.023 96 I HA 0.614 4.784 4.170 -0.000 0.000 0.312 96 I C -0.368 175.787 176.117 0.062 0.000 1.056 96 I CA -1.026 60.308 61.300 0.057 0.000 1.033 96 I CB 1.572 39.594 38.000 0.035 0.000 1.233 96 I HN 0.377 nan 8.210 nan 0.000 0.462 97 N N 0.831 119.554 118.700 0.038 0.000 2.448 97 N HA 0.185 4.925 4.740 -0.000 0.000 0.274 97 N C 0.663 176.185 175.510 0.021 0.000 1.239 97 N CA -0.557 52.514 53.050 0.036 0.000 0.982 97 N CB 1.867 40.369 38.487 0.025 0.000 1.199 97 N HN 0.624 nan 8.380 nan 0.000 0.576 98 V N 1.087 121.012 119.914 0.018 0.000 3.241 98 V HA -0.074 4.046 4.120 -0.000 0.000 0.269 98 V C 1.522 177.616 176.094 0.001 0.000 1.151 98 V CA 1.450 63.753 62.300 0.005 0.000 1.158 98 V CB -0.728 31.101 31.823 0.011 0.000 0.764 98 V HN 0.595 nan 8.190 nan 0.000 0.508 99 I N -3.292 117.282 120.570 0.006 0.000 4.181 99 I HA 0.567 4.737 4.170 -0.000 0.000 0.331 99 I C 1.290 177.407 176.117 -0.000 0.000 1.312 99 I CA 0.625 61.928 61.300 0.005 0.000 1.146 99 I CB 0.404 38.411 38.000 0.011 0.000 1.074 99 I HN 0.241 nan 8.210 nan 0.000 0.402 100 G N 1.845 110.645 108.800 -0.000 0.000 2.181 100 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.152 100 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.152 100 G C -0.461 174.439 174.900 -0.000 0.000 1.026 100 G CA -0.533 44.564 45.100 -0.004 0.000 0.699 100 G HN 0.370 nan 8.290 nan 0.000 0.497 101 E N 0.774 120.978 120.200 0.006 0.000 2.156 101 E HA 0.385 4.735 4.350 -0.000 0.000 0.279 101 E C -2.564 174.042 176.600 0.009 0.000 0.965 101 E CA -1.954 54.450 56.400 0.006 0.000 0.789 101 E CB 1.843 31.547 29.700 0.006 0.000 1.098 101 E HN 0.126 nan 8.360 nan 0.000 0.397 102 P HA 0.099 nan 4.420 nan 0.000 0.267 102 P C 0.408 177.707 177.300 -0.002 0.000 1.209 102 P CA 0.330 63.435 63.100 0.008 0.000 0.763 102 P CB 0.486 32.191 31.700 0.007 0.000 0.816 103 I N 1.979 122.542 120.570 -0.012 0.000 3.708 103 I HA -0.022 4.148 4.170 -0.000 0.000 0.302 103 I C 1.187 177.264 176.117 -0.067 0.000 1.255 103 I CA 0.443 61.719 61.300 -0.040 0.000 1.362 103 I CB -0.324 37.644 38.000 -0.052 0.000 1.100 103 I HN 0.265 nan 8.210 nan 0.000 0.434 104 D N 1.061 121.425 120.400 -0.061 0.000 2.378 104 D HA -0.180 4.460 4.640 -0.000 0.000 0.222 104 D C 0.529 176.818 176.300 -0.018 0.000 0.980 104 D CA 0.331 54.294 54.000 -0.060 0.000 0.907 104 D CB -0.581 40.215 40.800 -0.007 0.000 0.899 104 D HN 0.341 nan 8.370 nan 0.000 0.527 105 E N -0.794 119.397 120.200 -0.014 0.000 2.722 105 E HA -0.276 4.074 4.350 -0.000 0.000 0.265 105 E C -0.106 176.499 176.600 0.009 0.000 1.081 105 E CA 0.298 56.695 56.400 -0.004 0.000 0.781 105 E CB -1.148 28.547 29.700 -0.008 0.000 1.372 105 E HN 0.514 nan 8.360 nan 0.000 0.423 106 R N 0.406 120.916 120.500 0.017 0.000 2.702 106 R HA 0.302 4.641 4.340 -0.000 0.000 0.314 106 R C 0.782 177.093 176.300 0.019 0.000 1.152 106 R CA 0.378 56.492 56.100 0.025 0.000 1.097 106 R CB 0.772 31.097 30.300 0.040 0.000 1.343 106 R HN 0.278 nan 8.270 nan 0.000 0.575 107 G N 2.181 110.988 108.800 0.012 0.000 2.758 107 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 107 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 107 G C -2.628 172.277 174.900 0.008 0.000 1.389 107 G CA -1.305 43.801 45.100 0.009 0.000 0.845 107 G HN 0.058 nan 8.290 nan 0.000 0.572 108 P HA 0.335 nan 4.420 nan 0.000 0.267 108 P C 0.299 177.600 177.300 0.002 0.000 1.200 108 P CA -0.109 62.992 63.100 0.002 0.000 0.772 108 P CB 0.376 32.075 31.700 -0.001 0.000 0.855 109 I N 2.415 122.984 120.570 -0.001 0.000 2.291 109 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 109 I C 1.081 177.189 176.117 -0.015 0.000 1.064 109 I CA -0.393 60.904 61.300 -0.004 0.000 1.269 109 I CB 0.326 38.324 38.000 -0.004 0.000 1.418 109 I HN 0.206 nan 8.210 nan 0.000 0.485 110 K N 6.564 126.956 120.400 -0.012 0.000 2.111 110 K HA 0.138 4.458 4.320 -0.000 0.000 0.249 110 K C 0.207 176.789 176.600 -0.031 0.000 1.157 110 K CA -0.225 56.051 56.287 -0.018 0.000 1.048 110 K CB 0.205 32.699 32.500 -0.010 0.000 1.498 110 K HN 0.734 nan 8.250 nan 0.000 0.344 111 S N 1.877 117.547 115.700 -0.049 0.000 2.632 111 S HA 0.214 4.684 4.470 -0.000 0.000 0.271 111 S C 0.867 175.421 174.600 -0.078 0.000 1.260 111 S CA -0.745 57.406 58.200 -0.081 0.000 1.010 111 S CB 1.781 64.910 63.200 -0.119 0.000 0.965 111 S HN 0.508 nan 8.310 nan 0.000 0.534 112 K N 0.081 120.425 120.400 -0.094 0.000 2.026 112 K HA 0.121 4.441 4.320 -0.000 0.000 0.208 112 K C 0.245 176.804 176.600 -0.069 0.000 1.048 112 K CA 1.089 57.337 56.287 -0.064 0.000 0.929 112 K CB -0.339 32.135 32.500 -0.043 0.000 0.713 112 K HN 0.513 nan 8.250 nan 0.000 0.439 113 L N -0.768 120.384 121.223 -0.119 0.000 2.277 113 L HA 0.430 4.770 4.340 -0.000 0.000 0.254 113 L C -0.661 176.133 176.870 -0.126 0.000 1.044 113 L CA -1.087 53.694 54.840 -0.098 0.000 0.842 113 L CB 2.221 44.241 42.059 -0.066 0.000 1.422 113 L HN -0.124 nan 8.230 nan 0.000 0.422 114 R N 1.261 121.710 120.500 -0.084 0.000 2.507 114 R HA 0.390 4.730 4.340 -0.000 0.000 0.298 114 R C -1.357 174.912 176.300 -0.052 0.000 1.087 114 R CA -0.701 55.353 56.100 -0.077 0.000 0.917 114 R CB 1.938 32.208 30.300 -0.050 0.000 1.173 114 R HN 0.430 nan 8.270 nan 0.000 0.472 115 K N 3.669 124.033 120.400 -0.060 0.000 2.138 115 K HA 0.396 4.716 4.320 -0.000 0.000 0.263 115 K C -2.254 174.338 176.600 -0.013 0.000 0.965 115 K CA -1.986 54.288 56.287 -0.022 0.000 0.868 115 K CB 1.648 34.147 32.500 -0.003 0.000 1.083 115 K HN 0.233 nan 8.250 nan 0.000 0.443 116 P HA -0.041 nan 4.420 nan 0.000 0.268 116 P C 0.742 178.045 177.300 0.005 0.000 1.208 116 P CA 0.162 63.276 63.100 0.025 0.000 0.777 116 P CB 0.409 32.140 31.700 0.052 0.000 0.875 117 I N -1.226 119.336 120.570 -0.014 0.000 2.439 117 I HA -0.021 4.148 4.170 -0.000 0.000 0.251 117 I C 0.939 176.943 176.117 -0.189 0.000 1.139 117 I CA 0.857 62.085 61.300 -0.121 0.000 1.438 117 I CB -0.887 36.997 38.000 -0.193 0.000 1.085 117 I HN 0.252 nan 8.210 nan 0.000 0.427 118 H N 2.622 121.692 119.070 0.000 0.000 2.502 118 H HA 0.739 5.295 4.556 -0.000 0.000 0.327 118 H C -0.499 174.828 175.328 -0.000 0.000 1.099 118 H CA -0.034 56.015 56.048 0.001 0.000 1.323 118 H CB 1.560 31.328 29.762 0.010 0.000 1.450 118 H HN 0.425 nan 8.280 nan 0.000 0.502 119 A N 3.467 126.346 122.820 0.099 0.000 2.565 119 A HA 0.166 4.486 4.320 -0.000 0.000 0.298 119 A C -1.019 176.591 177.584 0.042 0.000 1.062 119 A CA -0.973 51.099 52.037 0.058 0.000 0.723 119 A CB 1.167 20.186 19.000 0.031 0.000 1.282 119 A HN 0.580 nan 8.150 nan 0.000 0.400 120 D N 3.780 124.203 120.400 0.037 0.000 2.493 120 D HA 0.298 4.938 4.640 -0.000 0.000 0.240 120 D C -1.754 174.559 176.300 0.021 0.000 1.142 120 D CA 0.246 54.264 54.000 0.030 0.000 0.872 120 D CB 0.654 41.470 40.800 0.026 0.000 1.173 120 D HN 0.394 nan 8.370 nan 0.000 0.467 121 P HA 0.185 nan 4.420 nan 0.000 0.274 121 P C -2.421 174.892 177.300 0.021 0.000 1.231 121 P CA -1.089 62.020 63.100 0.016 0.000 0.790 121 P CB -0.224 31.488 31.700 0.020 0.000 0.951 122 P HA -0.028 nan 4.420 nan 0.000 0.266 122 P C 0.428 177.748 177.300 0.034 0.000 1.193 122 P CA 0.221 63.330 63.100 0.016 0.000 0.770 122 P CB 0.257 31.959 31.700 0.003 0.000 0.836 123 S N 1.643 117.365 115.700 0.037 0.000 2.640 123 S HA 0.132 4.602 4.470 -0.000 0.000 0.262 123 S C 0.965 175.625 174.600 0.099 0.000 1.232 123 S CA -0.484 57.761 58.200 0.074 0.000 0.988 123 S CB -0.005 63.236 63.200 0.070 0.000 1.034 123 S HN 0.442 nan 8.310 nan 0.000 0.569 124 F N 0.911 120.863 119.950 0.003 0.000 2.325 124 F HA 0.185 4.712 4.527 -0.000 0.000 0.299 124 F C 2.272 178.072 175.800 0.001 0.000 1.090 124 F CA 0.963 58.964 58.000 0.002 0.000 1.392 124 F CB -0.894 38.107 39.000 0.002 0.000 1.053 124 F HN 0.673 nan 8.300 nan 0.000 0.521 125 A N 0.391 123.168 122.820 -0.072 0.000 1.897 125 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 125 A C 1.881 179.358 177.584 -0.178 0.000 1.181 125 A CA 1.479 53.423 52.037 -0.155 0.000 0.620 125 A CB -0.768 18.224 19.000 -0.013 0.000 0.821 125 A HN 0.547 nan 8.150 nan 0.000 0.443 126 E N 0.528 120.663 120.200 -0.109 0.000 2.485 126 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 126 E C -0.269 176.265 176.600 -0.109 0.000 1.098 126 E CA -0.103 56.245 56.400 -0.086 0.000 0.878 126 E CB 0.043 29.717 29.700 -0.044 0.000 0.939 126 E HN 0.494 nan 8.360 nan 0.000 0.503 127 Q N 1.032 120.721 119.800 -0.186 0.000 2.279 127 Q HA 0.217 4.557 4.340 -0.000 0.000 0.256 127 Q C -0.551 175.356 176.000 -0.156 0.000 0.937 127 Q CA 0.007 55.706 55.803 -0.173 0.000 0.933 127 Q CB 1.864 30.454 28.738 -0.247 0.000 1.189 127 Q HN -0.034 nan 8.270 nan 0.000 0.417 128 S N 1.777 117.420 115.700 -0.094 0.000 2.478 128 S HA 0.598 5.068 4.470 -0.000 0.000 0.312 128 S C -0.721 173.848 174.600 -0.052 0.000 1.094 128 S CA -0.496 57.661 58.200 -0.073 0.000 1.081 128 S CB 0.825 63.994 63.200 -0.052 0.000 1.007 128 S HN 0.582 nan 8.310 nan 0.000 0.475 129 T N 1.221 115.747 114.554 -0.046 0.000 2.841 129 T HA 0.781 5.131 4.350 -0.000 0.000 0.283 129 T C -0.766 173.923 174.700 -0.019 0.000 1.000 129 T CA -0.807 61.277 62.100 -0.027 0.000 0.977 129 T CB 1.296 70.150 68.868 -0.023 0.000 0.979 129 T HN 0.737 nan 8.240 nan 0.000 0.446 130 S N 0.816 116.509 115.700 -0.011 0.000 2.653 130 S HA 0.620 5.090 4.470 -0.000 0.000 0.268 130 S C -0.360 174.239 174.600 -0.002 0.000 1.153 130 S CA -0.994 57.202 58.200 -0.008 0.000 1.036 130 S CB 0.854 64.049 63.200 -0.008 0.000 1.103 130 S HN 1.305 nan 8.310 nan 0.000 0.466 131 A N 2.587 125.405 122.820 -0.003 0.000 2.805 131 A HA 0.546 4.866 4.320 -0.000 0.000 0.301 131 A C 0.279 177.862 177.584 -0.002 0.000 1.557 131 A CA -0.253 51.784 52.037 -0.001 0.000 1.254 131 A CB -0.350 18.646 19.000 -0.006 0.000 1.114 131 A HN 0.839 nan 8.150 nan 0.000 0.553 132 E N 2.269 122.472 120.200 0.005 0.000 2.199 132 E HA 0.513 4.863 4.350 -0.000 0.000 0.269 132 E C -1.070 175.539 176.600 0.015 0.000 0.899 132 E CA -0.831 55.573 56.400 0.006 0.000 0.772 132 E CB 0.932 30.637 29.700 0.008 0.000 1.155 132 E HN 0.508 nan 8.360 nan 0.000 0.408 133 I N 4.014 124.589 120.570 0.008 0.000 2.496 133 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 133 I C -0.228 175.909 176.117 0.033 0.000 1.080 133 I CA -0.136 61.172 61.300 0.012 0.000 1.404 133 I CB 0.499 38.495 38.000 -0.008 0.000 1.403 133 I HN 0.406 nan 8.210 nan 0.000 0.539 134 L N 6.794 128.050 121.223 0.055 0.000 2.276 134 L HA 0.406 4.746 4.340 -0.000 0.000 0.286 134 L C 0.061 176.974 176.870 0.072 0.000 1.024 134 L CA -0.219 54.668 54.840 0.078 0.000 0.826 134 L CB 0.826 42.958 42.059 0.122 0.000 1.211 134 L HN 0.600 nan 8.230 nan 0.000 0.422 135 E N 2.034 122.270 120.200 0.059 0.000 2.376 135 E HA 0.093 4.443 4.350 -0.000 0.000 0.266 135 E C 0.350 176.990 176.600 0.066 0.000 1.009 135 E CA 0.702 57.132 56.400 0.049 0.000 0.902 135 E CB 0.819 30.545 29.700 0.043 0.000 0.972 135 E HN 0.839 nan 8.360 nan 0.000 0.439 136 T N 0.499 115.084 114.554 0.051 0.000 3.085 136 T HA 0.312 4.662 4.350 -0.000 0.000 0.241 136 T C 1.296 176.028 174.700 0.052 0.000 0.988 136 T CA 0.423 62.568 62.100 0.075 0.000 1.117 136 T CB 0.448 69.359 68.868 0.072 0.000 0.978 136 T HN 0.663 nan 8.240 nan 0.000 0.454 137 G N 1.510 110.328 108.800 0.030 0.000 2.168 137 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.197 137 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.197 137 G C -0.116 174.795 174.900 0.020 0.000 0.997 137 G CA -0.165 44.949 45.100 0.023 0.000 0.658 137 G HN 0.660 nan 8.290 nan 0.000 0.513 138 I N 0.810 121.396 120.570 0.027 0.000 2.389 138 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 138 I C 1.473 177.592 176.117 0.002 0.000 0.999 138 I CA -0.998 60.326 61.300 0.041 0.000 1.129 138 I CB 1.613 39.696 38.000 0.137 0.000 1.288 138 I HN -0.070 nan 8.210 nan 0.000 0.444 139 K N 3.359 123.736 120.400 -0.039 0.000 2.000 139 K HA -0.174 4.146 4.320 -0.000 0.000 0.218 139 K C 1.784 178.331 176.600 -0.088 0.000 1.053 139 K CA 1.723 57.968 56.287 -0.069 0.000 0.946 139 K CB -0.239 32.210 32.500 -0.085 0.000 0.723 139 K HN 0.520 nan 8.250 nan 0.000 0.446 140 V N 1.260 121.156 119.914 -0.030 0.000 2.250 140 V HA -0.304 3.816 4.120 -0.000 0.000 0.253 140 V C 2.395 178.481 176.094 -0.012 0.000 1.065 140 V CA 2.048 64.343 62.300 -0.009 0.000 1.039 140 V CB -0.817 31.073 31.823 0.112 0.000 0.647 140 V HN 0.130 nan 8.190 nan 0.000 0.446 141 V N 0.193 120.127 119.914 0.032 0.000 2.223 141 V HA -0.262 3.858 4.120 -0.000 0.000 0.244 141 V C 2.390 178.400 176.094 -0.139 0.000 1.045 141 V CA 2.403 64.656 62.300 -0.077 0.000 1.000 141 V CB -0.814 30.916 31.823 -0.155 0.000 0.635 141 V HN 0.532 nan 8.190 nan 0.000 0.445 142 D N -0.156 120.181 120.400 -0.106 0.000 2.133 142 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 142 D C 1.964 178.291 176.300 0.044 0.000 0.997 142 D CA 1.402 55.374 54.000 -0.045 0.000 0.840 142 D CB -0.244 40.549 40.800 -0.012 0.000 0.947 142 D HN 0.335 nan 8.370 nan 0.000 0.452 143 L N -0.042 121.148 121.223 -0.055 0.000 2.056 143 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 143 L C 1.951 178.843 176.870 0.037 0.000 1.078 143 L CA 1.492 56.264 54.840 -0.114 0.000 0.749 143 L CB -0.173 41.629 42.059 -0.428 0.000 0.901 143 L HN -0.001 nan 8.230 nan 0.000 0.433 144 L N -1.431 119.782 121.223 -0.016 0.000 2.515 144 L HA 0.381 4.721 4.340 -0.000 0.000 0.202 144 L C 0.881 177.771 176.870 0.034 0.000 1.056 144 L CA 0.431 55.276 54.840 0.009 0.000 0.847 144 L CB -0.222 41.820 42.059 -0.028 0.000 1.131 144 L HN 0.099 nan 8.230 nan 0.000 0.484 145 A N 0.894 123.715 122.820 0.002 0.000 2.842 145 A HA 0.579 4.899 4.320 -0.000 0.000 0.339 145 A C -2.598 174.923 177.584 -0.104 0.000 1.177 145 A CA -1.203 50.839 52.037 0.009 0.000 0.797 145 A CB -0.204 18.839 19.000 0.071 0.000 1.094 145 A HN -0.105 nan 8.150 nan 0.000 0.474 146 P HA 0.289 nan 4.420 nan 0.000 0.276 146 P C -0.573 176.713 177.300 -0.024 0.000 1.243 146 P CA 0.169 63.187 63.100 -0.136 0.000 0.768 146 P CB 0.248 31.904 31.700 -0.074 0.000 0.856 147 Y N 1.711 122.041 120.300 0.050 0.000 2.258 147 Y HA 0.495 5.045 4.550 -0.000 0.000 0.345 147 Y C 1.170 177.082 175.900 0.019 0.000 1.303 147 Y CA -1.032 57.089 58.100 0.035 0.000 1.537 147 Y CB -0.178 38.307 38.460 0.041 0.000 1.383 147 Y HN 0.361 nan 8.280 nan 0.000 0.606 148 A N 0.760 123.695 122.820 0.192 0.000 2.413 148 A HA 0.702 5.022 4.320 -0.000 0.000 0.307 148 A C -0.649 176.975 177.584 0.067 0.000 1.087 148 A CA -1.182 50.912 52.037 0.095 0.000 0.750 148 A CB 1.094 20.131 19.000 0.062 0.000 1.296 148 A HN 0.748 nan 8.150 nan 0.000 0.423 149 R N 0.614 121.145 120.500 0.052 0.000 2.316 149 R HA 0.432 4.772 4.340 -0.000 0.000 0.314 149 R C 0.806 177.122 176.300 0.026 0.000 1.069 149 R CA 0.915 57.042 56.100 0.045 0.000 0.959 149 R CB 0.623 30.950 30.300 0.044 0.000 0.987 149 R HN 1.672 nan 8.270 nan 0.000 0.446 150 G N 1.816 110.626 108.800 0.016 0.000 2.298 150 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 150 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 150 G C 0.070 174.963 174.900 -0.011 0.000 1.075 150 G CA 0.021 45.121 45.100 0.001 0.000 0.960 150 G HN 0.917 nan 8.290 nan 0.000 0.502 151 G N -1.118 107.667 108.800 -0.025 0.000 2.680 151 G HA2 0.689 4.649 3.960 -0.000 0.000 0.290 151 G HA3 0.689 4.649 3.960 -0.000 0.000 0.290 151 G C -0.631 174.228 174.900 -0.068 0.000 1.355 151 G CA -1.030 44.054 45.100 -0.027 0.000 0.903 151 G HN 0.355 nan 8.290 nan 0.000 0.474 152 K N 0.793 121.156 120.400 -0.061 0.000 2.268 152 K HA 0.418 4.738 4.320 -0.000 0.000 0.276 152 K C -0.476 176.045 176.600 -0.132 0.000 1.080 152 K CA -0.122 56.104 56.287 -0.101 0.000 0.910 152 K CB 1.484 33.947 32.500 -0.062 0.000 1.163 152 K HN 0.282 nan 8.250 nan 0.000 0.465 153 I N 1.413 121.844 120.570 -0.232 0.000 2.385 153 I HA 0.372 4.542 4.170 -0.000 0.000 0.294 153 I C 0.537 176.443 176.117 -0.352 0.000 0.988 153 I CA -0.587 60.505 61.300 -0.346 0.000 1.265 153 I CB 1.836 39.464 38.000 -0.621 0.000 1.388 153 I HN 0.629 nan 8.210 nan 0.000 0.480 154 G N 6.880 115.470 108.800 -0.351 0.000 2.753 154 G HA2 0.584 4.544 3.960 -0.000 0.000 0.282 154 G HA3 0.584 4.544 3.960 -0.000 0.000 0.282 154 G C -1.047 173.530 174.900 -0.539 0.000 1.512 154 G CA -0.529 44.285 45.100 -0.477 0.000 1.076 154 G HN 0.621 nan 8.290 nan 0.000 0.545 155 L N 0.645 121.568 121.223 -0.501 0.000 2.289 155 L HA 0.897 5.237 4.340 -0.000 0.000 0.285 155 L C -0.714 175.832 176.870 -0.541 0.000 1.049 155 L CA -0.910 53.685 54.840 -0.409 0.000 0.804 155 L CB 0.969 42.846 42.059 -0.303 0.000 1.195 155 L HN 0.307 nan 8.230 nan 0.000 0.428 156 F N 1.380 121.223 119.950 -0.178 0.000 2.690 156 F HA 0.953 5.480 4.527 -0.000 0.000 0.332 156 F C 1.090 176.819 175.800 -0.118 0.000 1.215 156 F CA 0.026 57.937 58.000 -0.149 0.000 1.086 156 F CB 0.519 39.428 39.000 -0.152 0.000 1.828 156 F HN 0.878 nan 8.300 nan 0.000 0.519 157 G N -0.636 108.246 108.800 0.137 0.000 2.525 157 G HA2 0.385 4.345 3.960 -0.000 0.000 0.685 157 G HA3 0.385 4.345 3.960 -0.000 0.000 0.685 157 G C -0.367 174.482 174.900 -0.086 0.000 1.285 157 G CA -0.755 44.354 45.100 0.014 0.000 0.849 157 G HN 0.985 nan 8.290 nan 0.000 0.653 158 G N -0.061 108.674 108.800 -0.109 0.000 2.529 158 G HA2 0.734 4.694 3.960 -0.000 0.000 0.234 158 G HA3 0.734 4.694 3.960 -0.000 0.000 0.234 158 G C 0.785 175.666 174.900 -0.033 0.000 1.527 158 G CA 0.688 45.669 45.100 -0.199 0.000 1.062 158 G HN 2.134 nan 8.290 nan 0.000 0.558 159 A N -2.328 120.544 122.820 0.087 0.000 2.306 159 A HA 0.605 4.925 4.320 -0.000 0.000 0.314 159 A C 1.191 178.849 177.584 0.123 0.000 1.164 159 A CA 0.680 52.858 52.037 0.237 0.000 0.822 159 A CB 0.521 19.709 19.000 0.313 0.000 1.130 159 A HN 2.432 nan 8.150 nan 0.000 0.496 160 G N 0.520 109.388 108.800 0.113 0.000 2.166 160 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 160 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 160 G C 0.817 175.769 174.900 0.087 0.000 0.986 160 G CA 1.289 46.437 45.100 0.080 0.000 0.683 160 G HN 2.020 nan 8.290 nan 0.000 0.527 161 V N -2.880 117.087 119.914 0.088 0.000 3.129 161 V HA 0.557 4.677 4.120 -0.000 0.000 0.259 161 V C 1.729 177.902 176.094 0.131 0.000 1.116 161 V CA 1.050 63.397 62.300 0.079 0.000 1.127 161 V CB -0.188 31.659 31.823 0.041 0.000 0.742 161 V HN 2.228 nan 8.190 nan 0.000 0.474 162 G N 0.560 109.449 108.800 0.148 0.000 2.618 162 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.180 162 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.180 162 G C 0.282 175.293 174.900 0.184 0.000 1.092 162 G CA 0.193 45.415 45.100 0.203 0.000 0.856 162 G HN 0.405 nan 8.290 nan 0.000 0.496 163 K N -0.529 119.955 120.400 0.140 0.000 2.005 163 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 163 K C 2.587 179.278 176.600 0.152 0.000 1.044 163 K CA 1.765 58.128 56.287 0.126 0.000 0.942 163 K CB -0.250 32.317 32.500 0.112 0.000 0.727 163 K HN 0.303 nan 8.250 nan 0.000 0.439 164 T N 1.638 116.272 114.554 0.134 0.000 2.759 164 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 164 T C 2.094 176.855 174.700 0.103 0.000 1.042 164 T CA 1.225 63.399 62.100 0.122 0.000 1.140 164 T CB -0.264 68.670 68.868 0.111 0.000 0.864 164 T HN -0.058 nan 8.240 nan 0.000 0.455 165 V N 0.707 120.699 119.914 0.129 0.000 2.343 165 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 165 V C 1.989 178.045 176.094 -0.063 0.000 1.051 165 V CA 1.466 63.827 62.300 0.101 0.000 1.036 165 V CB -0.773 31.197 31.823 0.246 0.000 0.654 165 V HN 0.393 nan 8.190 nan 0.000 0.451 166 F N 0.112 119.970 119.950 -0.153 0.000 2.293 166 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 166 F C 1.985 177.682 175.800 -0.173 0.000 1.086 166 F CA 1.282 59.115 58.000 -0.279 0.000 1.375 166 F CB -0.058 38.875 39.000 -0.112 0.000 1.045 166 F HN 0.055 nan 8.300 nan 0.000 0.516 167 I N -0.405 120.238 120.570 0.123 0.000 2.235 167 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 167 I C 2.182 178.234 176.117 -0.109 0.000 1.085 167 I CA 1.013 62.366 61.300 0.088 0.000 1.378 167 I CB -0.697 37.387 38.000 0.141 0.000 1.076 167 I HN 0.059 nan 8.210 nan 0.000 0.415 168 Q N 0.406 120.130 119.800 -0.126 0.000 2.297 168 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 168 Q C 1.922 177.796 176.000 -0.210 0.000 0.981 168 Q CA 1.375 57.063 55.803 -0.192 0.000 0.876 168 Q CB -0.117 28.548 28.738 -0.122 0.000 0.921 168 Q HN 0.398 nan 8.270 nan 0.000 0.446 169 E N 0.998 121.049 120.200 -0.249 0.000 2.112 169 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 169 E C 1.696 178.186 176.600 -0.183 0.000 0.979 169 E CA 0.612 56.859 56.400 -0.255 0.000 0.814 169 E CB -0.094 29.309 29.700 -0.496 0.000 0.762 169 E HN 0.279 nan 8.360 nan 0.000 0.460 170 L N 0.275 121.397 121.223 -0.168 0.000 2.191 170 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 170 L C 2.147 179.010 176.870 -0.012 0.000 1.103 170 L CA 0.885 55.728 54.840 0.005 0.000 0.769 170 L CB -0.289 41.895 42.059 0.209 0.000 0.908 170 L HN 0.249 nan 8.230 nan 0.000 0.438 171 I N -0.694 119.734 120.570 -0.236 0.000 2.617 171 I HA -0.153 4.017 4.170 -0.000 0.000 0.256 171 I C 1.369 177.399 176.117 -0.145 0.000 1.167 171 I CA 0.754 61.867 61.300 -0.312 0.000 1.469 171 I CB -0.232 37.448 38.000 -0.534 0.000 1.098 171 I HN 0.258 nan 8.210 nan 0.000 0.436 172 N N 0.670 119.298 118.700 -0.120 0.000 2.336 172 N HA -0.023 4.717 4.740 -0.000 0.000 0.189 172 N C 1.054 176.546 175.510 -0.031 0.000 1.113 172 N CA 0.406 53.411 53.050 -0.074 0.000 0.858 172 N CB 0.023 38.463 38.487 -0.078 0.000 0.970 172 N HN 0.250 nan 8.380 nan 0.000 0.471 173 N N -0.811 117.882 118.700 -0.012 0.000 2.397 173 N HA 0.246 4.986 4.740 -0.000 0.000 0.190 173 N C 0.603 176.145 175.510 0.054 0.000 1.099 173 N CA 0.329 53.392 53.050 0.021 0.000 0.876 173 N CB 0.841 39.343 38.487 0.025 0.000 1.143 173 N HN 0.081 nan 8.380 nan 0.000 0.468 174 I N -0.376 120.242 120.570 0.080 0.000 3.873 174 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 174 I C 1.822 178.016 176.117 0.128 0.000 1.186 174 I CA 0.310 61.683 61.300 0.123 0.000 1.362 174 I CB -0.374 37.728 38.000 0.170 0.000 1.432 174 I HN -0.076 nan 8.210 nan 0.000 0.454 175 A N 0.699 123.590 122.820 0.118 0.000 2.067 175 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 175 A C 2.183 179.804 177.584 0.062 0.000 1.158 175 A CA 1.516 53.609 52.037 0.093 0.000 0.661 175 A CB -0.443 18.607 19.000 0.083 0.000 0.801 175 A HN 0.296 nan 8.150 nan 0.000 0.452 176 K N -0.386 120.036 120.400 0.037 0.000 1.991 176 K HA 0.046 4.366 4.320 -0.000 0.000 0.207 176 K C 1.152 177.777 176.600 0.040 0.000 1.045 176 K CA 1.157 57.456 56.287 0.020 0.000 0.937 176 K CB -0.171 32.328 32.500 -0.003 0.000 0.720 176 K HN 0.338 nan 8.250 nan 0.000 0.438 177 A N 1.202 124.053 122.820 0.051 0.000 3.293 177 A HA 0.092 4.411 4.320 -0.000 0.000 0.282 177 A C 0.399 178.029 177.584 0.075 0.000 1.394 177 A CA -0.131 51.931 52.037 0.042 0.000 1.118 177 A CB -0.440 18.575 19.000 0.023 0.000 1.133 177 A HN 0.319 nan 8.150 nan 0.000 0.627 178 H N 0.391 119.450 119.070 -0.018 0.000 2.300 178 H HA 0.324 4.880 4.556 -0.000 0.000 0.312 178 H C 1.713 177.009 175.328 -0.053 0.000 1.057 178 H CA 2.512 58.547 56.048 -0.023 0.000 1.380 178 H CB 0.337 30.089 29.762 -0.016 0.000 1.424 178 H HN 0.718 nan 8.280 nan 0.000 0.534 179 G N -1.438 107.268 108.800 -0.158 0.000 2.352 179 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.204 179 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.204 179 G C 0.924 175.645 174.900 -0.298 0.000 1.004 179 G CA 0.350 45.304 45.100 -0.244 0.000 0.648 179 G HN 0.888 nan 8.290 nan 0.000 0.491 180 G N -0.402 108.235 108.800 -0.272 0.000 3.019 180 G HA2 0.670 4.630 3.960 -0.000 0.000 0.152 180 G HA3 0.670 4.630 3.960 -0.000 0.000 0.152 180 G C -0.520 174.167 174.900 -0.355 0.000 1.320 180 G CA -0.757 44.161 45.100 -0.304 0.000 1.013 180 G HN 0.324 nan 8.290 nan 0.000 0.593 181 F N -0.272 119.726 119.950 0.080 0.000 2.523 181 F HA 0.707 5.234 4.527 -0.000 0.000 0.329 181 F C 0.490 176.179 175.800 -0.184 0.000 1.061 181 F CA -0.647 57.272 58.000 -0.135 0.000 0.967 181 F CB 2.427 41.141 39.000 -0.478 0.000 1.218 181 F HN 0.158 nan 8.300 nan 0.000 0.480 182 S N 0.569 116.268 115.700 -0.001 0.000 2.542 182 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 182 S C -1.280 173.300 174.600 -0.033 0.000 1.089 182 S CA -0.760 57.421 58.200 -0.031 0.000 0.961 182 S CB 2.194 65.415 63.200 0.035 0.000 1.062 182 S HN 0.305 nan 8.310 nan 0.000 0.483 183 V N 3.013 122.933 119.914 0.011 0.000 2.577 183 V HA 0.532 4.652 4.120 -0.000 0.000 0.303 183 V C -1.223 174.956 176.094 0.140 0.000 1.042 183 V CA -0.661 61.663 62.300 0.040 0.000 0.872 183 V CB 1.329 33.145 31.823 -0.012 0.000 0.998 183 V HN 0.843 nan 8.190 nan 0.000 0.423 184 F N 3.236 123.175 119.950 -0.017 0.000 2.469 184 F HA 0.727 5.254 4.527 -0.000 0.000 0.332 184 F C 0.265 175.955 175.800 -0.183 0.000 1.103 184 F CA -0.061 57.913 58.000 -0.043 0.000 0.979 184 F CB 2.063 41.031 39.000 -0.055 0.000 1.137 184 F HN 0.472 nan 8.300 nan 0.000 0.463 185 T N 4.490 118.505 114.554 -0.899 0.000 2.934 185 T HA 0.389 4.739 4.350 -0.000 0.000 0.328 185 T C 0.064 174.219 174.700 -0.909 0.000 1.068 185 T CA -0.654 61.017 62.100 -0.716 0.000 1.018 185 T CB 0.887 69.507 68.868 -0.413 0.000 1.009 185 T HN 0.897 nan 8.240 nan 0.000 0.471 186 G N 2.133 110.383 108.800 -0.917 0.000 2.444 186 G HA2 0.466 4.426 3.960 -0.000 0.000 0.303 186 G HA3 0.466 4.426 3.960 -0.000 0.000 0.303 186 G C -0.234 174.548 174.900 -0.197 0.000 1.032 186 G CA -0.284 44.514 45.100 -0.503 0.000 1.137 186 G HN 0.644 nan 8.290 nan 0.000 0.430 187 V N 2.979 122.809 119.914 -0.139 0.000 2.328 187 V HA 0.524 4.644 4.120 -0.000 0.000 0.278 187 V C 1.272 177.378 176.094 0.019 0.000 1.021 187 V CA 0.345 62.615 62.300 -0.050 0.000 0.838 187 V CB 0.817 32.606 31.823 -0.058 0.000 0.999 187 V HN 1.205 nan 8.190 nan 0.000 0.447 188 G N 3.530 112.356 108.800 0.043 0.000 2.361 188 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.294 188 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.294 188 G C 0.253 175.183 174.900 0.049 0.000 1.004 188 G CA 0.567 45.696 45.100 0.048 0.000 0.870 188 G HN 0.608 nan 8.290 nan 0.000 0.510 189 E N -0.736 119.510 120.200 0.076 0.000 2.518 189 E HA 0.381 4.730 4.350 -0.000 0.000 0.248 189 E C 0.939 177.592 176.600 0.090 0.000 1.028 189 E CA -1.022 55.425 56.400 0.079 0.000 0.922 189 E CB 0.557 30.322 29.700 0.109 0.000 1.299 189 E HN 0.352 nan 8.360 nan 0.000 0.457 190 R N 0.476 121.027 120.500 0.085 0.000 2.458 190 R HA 0.056 4.396 4.340 -0.000 0.000 0.303 190 R C 1.021 177.368 176.300 0.079 0.000 1.013 190 R CA 0.220 56.361 56.100 0.067 0.000 1.026 190 R CB 0.086 30.420 30.300 0.057 0.000 0.948 190 R HN 0.422 nan 8.270 nan 0.000 0.417 191 T N 2.178 116.757 114.554 0.042 0.000 2.951 191 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 191 T C 1.711 176.392 174.700 -0.031 0.000 1.073 191 T CA 0.852 62.953 62.100 0.001 0.000 1.134 191 T CB -0.058 68.800 68.868 -0.016 0.000 0.884 191 T HN 0.504 nan 8.240 nan 0.000 0.479 192 R N 1.193 121.690 120.500 -0.005 0.000 2.115 192 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 192 R C 1.888 178.189 176.300 0.002 0.000 1.100 192 R CA 1.193 57.288 56.100 -0.008 0.000 0.980 192 R CB 0.009 30.311 30.300 0.004 0.000 0.875 192 R HN 0.455 nan 8.270 nan 0.000 0.445 193 E N -1.153 119.065 120.200 0.031 0.000 2.299 193 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 193 E C 1.645 178.281 176.600 0.060 0.000 0.998 193 E CA 0.648 57.080 56.400 0.052 0.000 0.851 193 E CB 0.159 29.908 29.700 0.083 0.000 0.795 193 E HN 0.504 nan 8.360 nan 0.000 0.492 194 G N 1.163 109.988 108.800 0.042 0.000 2.448 194 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 194 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 194 G C 1.304 176.089 174.900 -0.191 0.000 1.135 194 G CA 0.371 45.448 45.100 -0.039 0.000 0.784 194 G HN 0.204 nan 8.290 nan 0.000 0.543 195 N N 0.270 118.890 118.700 -0.135 0.000 2.207 195 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 195 N C 1.135 176.662 175.510 0.028 0.000 1.020 195 N CA 0.888 53.894 53.050 -0.074 0.000 0.858 195 N CB 0.073 38.518 38.487 -0.071 0.000 0.991 195 N HN 0.016 nan 8.380 nan 0.000 0.427 196 D N 0.751 121.157 120.400 0.009 0.000 2.317 196 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 196 D C 1.743 178.041 176.300 -0.004 0.000 0.966 196 D CA 0.166 54.172 54.000 0.010 0.000 0.876 196 D CB 0.046 40.852 40.800 0.009 0.000 0.927 196 D HN 0.260 nan 8.370 nan 0.000 0.519 197 L N -0.451 120.770 121.223 -0.002 0.000 2.179 197 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 197 L C 1.981 178.845 176.870 -0.009 0.000 1.096 197 L CA 1.212 56.023 54.840 -0.048 0.000 0.779 197 L CB -0.447 41.557 42.059 -0.092 0.000 0.922 197 L HN -0.022 nan 8.230 nan 0.000 0.443 198 Y N 0.236 120.488 120.300 -0.080 0.000 2.293 198 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 198 Y C 2.469 178.337 175.900 -0.054 0.000 1.137 198 Y CA 1.510 59.575 58.100 -0.060 0.000 1.202 198 Y CB -0.055 38.357 38.460 -0.080 0.000 0.990 198 Y HN 0.128 nan 8.280 nan 0.000 0.537 199 R N -0.500 119.966 120.500 -0.057 0.000 2.119 199 R HA -0.094 4.246 4.340 -0.000 0.000 0.222 199 R C 2.001 178.223 176.300 -0.129 0.000 1.088 199 R CA 1.259 57.288 56.100 -0.119 0.000 0.984 199 R CB -0.125 30.158 30.300 -0.029 0.000 0.884 199 R HN 0.261 nan 8.270 nan 0.000 0.447 200 E N 0.634 120.773 120.200 -0.102 0.000 2.076 200 E HA -0.059 4.290 4.350 -0.000 0.000 0.190 200 E C 1.880 178.407 176.600 -0.121 0.000 0.979 200 E CA 1.024 57.365 56.400 -0.099 0.000 0.807 200 E CB 0.138 29.786 29.700 -0.087 0.000 0.761 200 E HN 0.026 nan 8.360 nan 0.000 0.454 201 M N 0.429 119.944 119.600 -0.141 0.000 2.117 201 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 201 M C 2.287 178.498 176.300 -0.149 0.000 1.065 201 M CA 1.516 56.733 55.300 -0.137 0.000 1.114 201 M CB -0.716 31.809 32.600 -0.125 0.000 1.361 201 M HN 0.084 nan 8.290 nan 0.000 0.408 202 K N 0.412 120.676 120.400 -0.226 0.000 2.097 202 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 202 K C 1.689 178.203 176.600 -0.143 0.000 1.050 202 K CA 1.257 57.408 56.287 -0.225 0.000 0.938 202 K CB 0.149 32.425 32.500 -0.372 0.000 0.718 202 K HN 0.369 nan 8.250 nan 0.000 0.442 203 E N -0.588 119.535 120.200 -0.129 0.000 2.216 203 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 203 E C 1.796 178.355 176.600 -0.069 0.000 0.988 203 E CA 1.474 57.821 56.400 -0.089 0.000 0.834 203 E CB 0.156 29.808 29.700 -0.080 0.000 0.772 203 E HN 0.497 nan 8.360 nan 0.000 0.479 204 T N -2.878 111.633 114.554 -0.072 0.000 2.985 204 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 204 T C 1.619 176.291 174.700 -0.046 0.000 1.076 204 T CA 0.843 62.909 62.100 -0.056 0.000 1.135 204 T CB 0.375 69.208 68.868 -0.060 0.000 0.890 204 T HN 0.279 nan 8.240 nan 0.000 0.480 205 G N -0.151 108.619 108.800 -0.050 0.000 2.192 205 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.193 205 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.193 205 G C 0.803 175.687 174.900 -0.027 0.000 0.999 205 G CA 0.077 45.156 45.100 -0.035 0.000 0.659 205 G HN 0.478 nan 8.290 nan 0.000 0.503 206 V N 0.783 120.675 119.914 -0.036 0.000 2.379 206 V HA 0.199 4.319 4.120 -0.000 0.000 0.245 206 V C 1.612 177.700 176.094 -0.010 0.000 1.044 206 V CA 1.557 63.844 62.300 -0.022 0.000 1.036 206 V CB -0.176 31.625 31.823 -0.037 0.000 0.664 206 V HN 0.450 nan 8.190 nan 0.000 0.453 207 I N 1.978 122.525 120.570 -0.038 0.000 2.306 207 I HA 0.255 4.424 4.170 -0.000 0.000 0.288 207 I C -0.155 175.939 176.117 -0.038 0.000 1.036 207 I CA -0.172 61.110 61.300 -0.030 0.000 1.221 207 I CB 0.620 38.577 38.000 -0.073 0.000 1.385 207 I HN 0.112 nan 8.210 nan 0.000 0.472 208 N N 6.597 125.295 118.700 -0.002 0.000 2.469 208 N HA 0.136 4.876 4.740 -0.000 0.000 0.239 208 N C 0.817 176.330 175.510 0.004 0.000 1.053 208 N CA -0.505 52.544 53.050 -0.002 0.000 0.937 208 N CB 0.988 39.485 38.487 0.016 0.000 1.163 208 N HN 0.499 nan 8.380 nan 0.000 0.509 209 L N 1.687 122.902 121.223 -0.014 0.000 2.127 209 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 209 L C 0.357 177.234 176.870 0.013 0.000 1.089 209 L CA 1.585 56.425 54.840 0.000 0.000 0.757 209 L CB -0.375 41.674 42.059 -0.016 0.000 0.899 209 L HN 0.404 nan 8.230 nan 0.000 0.434 210 E N -0.132 120.072 120.200 0.008 0.000 3.896 210 E HA 0.563 4.913 4.350 -0.000 0.000 0.217 210 E C 0.231 176.840 176.600 0.016 0.000 1.150 210 E CA 0.145 56.553 56.400 0.013 0.000 1.338 210 E CB 0.525 30.230 29.700 0.007 0.000 1.242 210 E HN 0.527 nan 8.360 nan 0.000 0.435 211 G N 0.528 109.342 108.800 0.023 0.000 2.566 211 G HA2 0.015 3.975 3.960 -0.000 0.000 0.138 211 G HA3 0.015 3.975 3.960 -0.000 0.000 0.138 211 G C -1.356 173.569 174.900 0.042 0.000 1.133 211 G CA -0.717 44.400 45.100 0.028 0.000 1.037 211 G HN 0.028 nan 8.290 nan 0.000 0.491 212 E N 1.000 121.228 120.200 0.047 0.000 2.151 212 E HA 0.614 4.964 4.350 -0.000 0.000 0.275 212 E C -0.007 176.636 176.600 0.072 0.000 0.936 212 E CA -0.273 56.169 56.400 0.070 0.000 0.777 212 E CB 1.667 31.414 29.700 0.079 0.000 1.108 212 E HN 0.688 nan 8.360 nan 0.000 0.401 213 S N 1.851 117.608 115.700 0.095 0.000 2.798 213 S HA 0.571 5.041 4.470 -0.000 0.000 0.312 213 S C 0.449 175.144 174.600 0.159 0.000 1.122 213 S CA -0.766 57.490 58.200 0.095 0.000 0.949 213 S CB 1.969 65.215 63.200 0.077 0.000 1.235 213 S HN 0.395 nan 8.310 nan 0.000 0.552 214 K N -0.727 119.760 120.400 0.147 0.000 2.517 214 K HA 0.403 4.723 4.320 -0.000 0.000 0.210 214 K C -0.845 175.857 176.600 0.171 0.000 1.166 214 K CA 0.046 56.471 56.287 0.229 0.000 1.030 214 K CB 1.516 34.085 32.500 0.116 0.000 0.974 214 K HN 0.371 nan 8.250 nan 0.000 0.585 215 V N 0.873 120.849 119.914 0.103 0.000 2.656 215 V HA 0.759 4.879 4.120 -0.000 0.000 0.307 215 V C -1.708 174.435 176.094 0.081 0.000 1.051 215 V CA -0.711 61.631 62.300 0.070 0.000 0.893 215 V CB 1.703 33.563 31.823 0.062 0.000 0.999 215 V HN 0.153 nan 8.190 nan 0.000 0.426 216 A N 7.007 129.868 122.820 0.069 0.000 2.318 216 A HA 0.860 5.180 4.320 -0.000 0.000 0.324 216 A C -1.011 176.650 177.584 0.127 0.000 1.170 216 A CA -0.660 51.436 52.037 0.098 0.000 0.810 216 A CB 1.014 20.066 19.000 0.087 0.000 1.198 216 A HN 0.874 nan 8.150 nan 0.000 0.484 217 L N 2.359 123.682 121.223 0.167 0.000 2.309 217 L HA 0.660 5.000 4.340 -0.000 0.000 0.282 217 L C -0.818 176.127 176.870 0.126 0.000 1.036 217 L CA -0.861 54.105 54.840 0.210 0.000 0.806 217 L CB 1.704 44.010 42.059 0.411 0.000 1.220 217 L HN 0.404 nan 8.230 nan 0.000 0.429 218 V N 3.233 123.113 119.914 -0.057 0.000 2.525 218 V HA 0.478 4.598 4.120 -0.000 0.000 0.299 218 V C -0.957 174.952 176.094 -0.309 0.000 1.034 218 V CA -0.435 61.811 62.300 -0.090 0.000 0.863 218 V CB 1.844 33.601 31.823 -0.111 0.000 0.999 218 V HN 0.409 nan 8.190 nan 0.000 0.423 219 F N 2.057 122.019 119.950 0.019 0.000 2.547 219 F HA 0.784 5.311 4.527 -0.000 0.000 0.316 219 F C 0.590 176.391 175.800 0.001 0.000 1.121 219 F CA -0.540 57.471 58.000 0.018 0.000 0.911 219 F CB 2.674 41.690 39.000 0.028 0.000 1.179 219 F HN 0.550 nan 8.300 nan 0.000 0.443 220 G N 3.883 112.780 108.800 0.163 0.000 3.703 220 G HA2 0.290 4.250 3.960 -0.000 0.000 0.311 220 G HA3 0.290 4.250 3.960 -0.000 0.000 0.311 220 G C -0.818 174.140 174.900 0.098 0.000 1.430 220 G CA -0.521 44.639 45.100 0.101 0.000 0.785 220 G HN 0.312 nan 8.290 nan 0.000 0.491 221 Q N 0.908 120.784 119.800 0.125 0.000 2.526 221 Q HA 0.171 4.511 4.340 -0.000 0.000 0.207 221 Q C 2.075 178.111 176.000 0.060 0.000 1.078 221 Q CA -0.414 55.453 55.803 0.107 0.000 1.041 221 Q CB 0.578 29.380 28.738 0.107 0.000 1.228 221 Q HN 0.725 nan 8.270 nan 0.000 0.603 222 M N -0.294 119.335 119.600 0.048 0.000 2.686 222 M HA -0.050 4.430 4.480 -0.000 0.000 0.246 222 M C 0.714 177.026 176.300 0.021 0.000 1.096 222 M CA 1.166 56.482 55.300 0.028 0.000 1.076 222 M CB -0.442 32.169 32.600 0.018 0.000 1.504 222 M HN 0.350 nan 8.290 nan 0.000 0.524 223 N N 0.925 119.638 118.700 0.023 0.000 2.422 223 N HA 0.019 4.759 4.740 -0.000 0.000 0.181 223 N C -0.291 175.228 175.510 0.014 0.000 1.080 223 N CA 0.332 53.391 53.050 0.015 0.000 0.893 223 N CB -0.195 38.299 38.487 0.011 0.000 0.973 223 N HN 0.571 nan 8.380 nan 0.000 0.456 224 E N 0.985 121.197 120.200 0.020 0.000 2.242 224 E HA 0.354 4.704 4.350 -0.000 0.000 0.275 224 E C -2.424 174.184 176.600 0.014 0.000 1.002 224 E CA -2.243 54.167 56.400 0.018 0.000 0.841 224 E CB 0.731 30.446 29.700 0.025 0.000 1.109 224 E HN 0.110 nan 8.360 nan 0.000 0.394 225 P HA -0.084 nan 4.420 nan 0.000 0.266 225 P C -1.896 175.407 177.300 0.004 0.000 1.193 225 P CA -0.745 62.359 63.100 0.006 0.000 0.770 225 P CB -0.027 31.677 31.700 0.006 0.000 0.836 226 P HA -0.212 nan 4.420 nan 0.000 0.218 226 P C 1.443 178.735 177.300 -0.012 0.000 1.146 226 P CA 1.982 65.075 63.100 -0.013 0.000 0.813 226 P CB -0.480 31.208 31.700 -0.020 0.000 0.778 227 G N 0.480 109.279 108.800 -0.002 0.000 2.422 227 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G C 1.799 176.709 174.900 0.018 0.000 1.146 227 G CA 0.950 46.054 45.100 0.007 0.000 0.769 227 G HN 0.375 nan 8.290 nan 0.000 0.547 228 A N 0.816 123.646 122.820 0.017 0.000 1.930 228 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 228 A C 2.379 179.979 177.584 0.027 0.000 1.175 228 A CA 1.252 53.302 52.037 0.023 0.000 0.627 228 A CB -0.278 18.736 19.000 0.023 0.000 0.815 228 A HN 0.343 nan 8.150 nan 0.000 0.443 229 R N -0.507 120.006 120.500 0.022 0.000 2.316 229 R HA 0.130 4.469 4.340 -0.000 0.000 0.202 229 R C 1.709 178.042 176.300 0.055 0.000 1.029 229 R CA 0.669 56.787 56.100 0.029 0.000 1.018 229 R CB -0.177 30.132 30.300 0.016 0.000 0.888 229 R HN 0.476 nan 8.270 nan 0.000 0.471 230 A N 0.274 123.122 122.820 0.047 0.000 2.267 230 A HA 0.120 4.439 4.320 -0.000 0.000 0.213 230 A C 1.511 179.211 177.584 0.193 0.000 1.192 230 A CA 0.178 52.264 52.037 0.082 0.000 0.851 230 A CB 0.389 19.365 19.000 -0.039 0.000 0.881 230 A HN 0.009 nan 8.150 nan 0.000 0.494 231 R N -1.808 118.753 120.500 0.102 0.000 2.513 231 R HA 0.166 4.506 4.340 -0.000 0.000 0.245 231 R C 1.446 177.739 176.300 -0.011 0.000 0.908 231 R CA 0.678 56.807 56.100 0.048 0.000 1.023 231 R CB -0.975 29.348 30.300 0.039 0.000 1.338 231 R HN 0.272 nan 8.270 nan 0.000 0.575 232 V N 1.589 121.503 119.914 -0.000 0.000 2.759 232 V HA -0.031 4.089 4.120 -0.000 0.000 0.256 232 V C 1.871 177.917 176.094 -0.080 0.000 1.080 232 V CA 1.849 64.127 62.300 -0.035 0.000 1.101 232 V CB -0.250 31.560 31.823 -0.022 0.000 0.698 232 V HN 0.275 nan 8.190 nan 0.000 0.477 233 A N -0.807 121.966 122.820 -0.078 0.000 2.168 233 A HA 0.074 4.393 4.320 -0.000 0.000 0.215 233 A C 1.940 179.410 177.584 -0.190 0.000 1.152 233 A CA 1.207 53.151 52.037 -0.154 0.000 0.716 233 A CB -0.251 18.637 19.000 -0.186 0.000 0.794 233 A HN 0.584 nan 8.150 nan 0.000 0.465 234 L N -1.806 119.318 121.223 -0.164 0.000 2.408 234 L HA 0.022 4.362 4.340 -0.000 0.000 0.215 234 L C 2.434 179.217 176.870 -0.145 0.000 1.081 234 L CA 0.955 55.681 54.840 -0.191 0.000 0.840 234 L CB -0.303 41.596 42.059 -0.268 0.000 1.002 234 L HN 0.204 nan 8.230 nan 0.000 0.468 235 T N -0.208 114.279 114.554 -0.112 0.000 2.737 235 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 235 T C 1.845 176.503 174.700 -0.070 0.000 1.038 235 T CA 1.495 63.548 62.100 -0.079 0.000 1.144 235 T CB -0.389 68.445 68.868 -0.056 0.000 0.866 235 T HN 0.492 nan 8.240 nan 0.000 0.434 236 G N 0.894 109.640 108.800 -0.091 0.000 2.464 236 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 236 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 236 G C 1.482 176.340 174.900 -0.070 0.000 1.138 236 G CA 0.182 45.231 45.100 -0.085 0.000 0.793 236 G HN 0.347 nan 8.290 nan 0.000 0.539 237 L N 1.314 122.479 121.223 -0.096 0.000 2.056 237 L HA 0.021 4.361 4.340 -0.000 0.000 0.207 237 L C 2.858 179.707 176.870 -0.036 0.000 1.078 237 L CA 2.317 57.105 54.840 -0.087 0.000 0.749 237 L CB -1.052 40.928 42.059 -0.131 0.000 0.901 237 L HN 0.161 nan 8.230 nan 0.000 0.433 238 T N 0.418 114.950 114.554 -0.038 0.000 2.699 238 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 238 T C 1.999 176.728 174.700 0.049 0.000 1.036 238 T CA 1.716 63.812 62.100 -0.006 0.000 1.147 238 T CB -0.298 68.554 68.868 -0.027 0.000 0.862 238 T HN 0.199 nan 8.240 nan 0.000 0.446 239 I N 1.967 122.573 120.570 0.059 0.000 2.091 239 I HA -0.188 3.982 4.170 -0.000 0.000 0.239 239 I C 2.937 179.252 176.117 0.330 0.000 1.061 239 I CA 1.617 63.011 61.300 0.156 0.000 1.317 239 I CB -1.693 36.399 38.000 0.155 0.000 1.031 239 I HN 0.228 nan 8.210 nan 0.000 0.401 240 A N 0.076 123.036 122.820 0.234 0.000 2.172 240 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 240 A C 2.154 179.874 177.584 0.225 0.000 1.154 240 A CA 1.153 53.342 52.037 0.253 0.000 0.701 240 A CB -0.582 18.465 19.000 0.079 0.000 0.789 240 A HN 0.547 nan 8.150 nan 0.000 0.465 241 E N -1.887 118.407 120.200 0.157 0.000 2.158 241 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 241 E C 1.670 178.334 176.600 0.107 0.000 0.982 241 E CA 0.916 57.377 56.400 0.101 0.000 0.823 241 E CB -0.239 29.495 29.700 0.057 0.000 0.766 241 E HN 0.768 nan 8.360 nan 0.000 0.468 242 Y N 0.400 120.685 120.300 -0.025 0.000 2.145 242 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 242 Y C 1.693 177.484 175.900 -0.182 0.000 1.145 242 Y CA 1.577 59.579 58.100 -0.165 0.000 1.148 242 Y CB -0.204 38.058 38.460 -0.330 0.000 0.981 242 Y HN -0.038 nan 8.280 nan 0.000 0.507 243 F N -0.314 119.696 119.950 0.101 0.000 2.365 243 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 243 F C 2.574 178.395 175.800 0.035 0.000 1.090 243 F CA 1.453 59.489 58.000 0.060 0.000 1.408 243 F CB -0.448 38.625 39.000 0.122 0.000 1.060 243 F HN -0.041 nan 8.300 nan 0.000 0.534 244 R N 0.558 121.161 120.500 0.171 0.000 2.052 244 R HA -0.105 4.235 4.340 -0.000 0.000 0.224 244 R C 1.700 178.009 176.300 0.016 0.000 1.165 244 R CA 1.974 58.129 56.100 0.092 0.000 0.939 244 R CB -0.316 30.023 30.300 0.066 0.000 0.834 244 R HN 0.081 nan 8.270 nan 0.000 0.435 245 D N -0.032 120.346 120.400 -0.036 0.000 2.149 245 D HA -0.075 4.565 4.640 -0.000 0.000 0.206 245 D C 1.979 178.199 176.300 -0.134 0.000 0.967 245 D CA 0.845 54.803 54.000 -0.070 0.000 0.848 245 D CB -0.025 40.737 40.800 -0.063 0.000 0.998 245 D HN 0.229 nan 8.370 nan 0.000 0.474 246 E N 0.758 120.799 120.200 -0.264 0.000 2.033 246 E HA -0.115 4.235 4.350 -0.000 0.000 0.189 246 E C 1.958 178.366 176.600 -0.320 0.000 0.979 246 E CA 0.725 56.888 56.400 -0.396 0.000 0.802 246 E CB -0.127 29.071 29.700 -0.838 0.000 0.763 246 E HN 0.180 nan 8.360 nan 0.000 0.449 247 E N 0.013 120.028 120.200 -0.309 0.000 2.285 247 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 247 E C 0.743 177.355 176.600 0.020 0.000 0.997 247 E CA 0.802 57.136 56.400 -0.110 0.000 0.845 247 E CB -0.167 29.525 29.700 -0.013 0.000 0.782 247 E HN 0.337 nan 8.360 nan 0.000 0.491 248 G N 1.155 109.962 108.800 0.011 0.000 2.305 248 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.287 248 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.287 248 G C 0.072 175.024 174.900 0.086 0.000 1.036 248 G CA 0.713 45.834 45.100 0.035 0.000 0.887 248 G HN 0.182 nan 8.290 nan 0.000 0.505 249 Q N -0.646 119.252 119.800 0.164 0.000 2.427 249 Q HA 0.463 4.803 4.340 -0.000 0.000 0.232 249 Q C -0.477 175.616 176.000 0.155 0.000 1.018 249 Q CA -0.706 55.209 55.803 0.186 0.000 0.965 249 Q CB 0.706 29.662 28.738 0.363 0.000 1.232 249 Q HN 0.265 nan 8.270 nan 0.000 0.510 250 D N 0.520 120.993 120.400 0.122 0.000 2.280 250 D HA 0.352 4.992 4.640 -0.000 0.000 0.243 250 D C -0.783 175.692 176.300 0.291 0.000 1.129 250 D CA -0.091 54.002 54.000 0.156 0.000 0.848 250 D CB 1.062 41.888 40.800 0.042 0.000 1.107 250 D HN 0.034 nan 8.370 nan 0.000 0.471 251 V N 3.189 123.224 119.914 0.202 0.000 2.732 251 V HA 0.497 4.617 4.120 -0.000 0.000 0.310 251 V C 0.020 176.073 176.094 -0.068 0.000 1.053 251 V CA -0.923 61.433 62.300 0.093 0.000 0.957 251 V CB 2.123 33.996 31.823 0.084 0.000 1.018 251 V HN 0.377 nan 8.190 nan 0.000 0.452 252 L N 4.087 125.192 121.223 -0.196 0.000 2.406 252 L HA 0.623 4.963 4.340 -0.000 0.000 0.272 252 L C -1.553 175.192 176.870 -0.208 0.000 0.980 252 L CA -0.619 54.038 54.840 -0.305 0.000 0.831 252 L CB 1.724 43.500 42.059 -0.471 0.000 1.253 252 L HN 0.574 nan 8.230 nan 0.000 0.406 253 L N 4.463 125.498 121.223 -0.313 0.000 2.362 253 L HA 0.616 4.956 4.340 -0.000 0.000 0.275 253 L C -1.605 175.019 176.870 -0.411 0.000 0.998 253 L CA 0.097 54.798 54.840 -0.231 0.000 0.820 253 L CB 1.611 43.560 42.059 -0.182 0.000 1.270 253 L HN 0.297 nan 8.230 nan 0.000 0.415 254 F N 5.843 125.738 119.950 -0.092 0.000 2.449 254 F HA 0.577 5.104 4.527 -0.000 0.000 0.342 254 F C -0.121 175.464 175.800 -0.358 0.000 1.127 254 F CA -0.438 57.496 58.000 -0.109 0.000 0.975 254 F CB 1.495 40.608 39.000 0.189 0.000 1.146 254 F HN 0.237 nan 8.300 nan 0.000 0.444 255 I N 2.944 123.421 120.570 -0.155 0.000 2.382 255 I HA 0.355 4.525 4.170 -0.000 0.000 0.285 255 I C -1.263 174.749 176.117 -0.176 0.000 1.007 255 I CA -0.435 60.715 61.300 -0.249 0.000 1.142 255 I CB 1.531 39.401 38.000 -0.217 0.000 1.289 255 I HN 0.443 nan 8.210 nan 0.000 0.453 256 D N 5.891 126.152 120.400 -0.232 0.000 2.616 256 D HA 0.205 4.845 4.640 -0.000 0.000 0.238 256 D C -1.257 175.008 176.300 -0.059 0.000 1.354 256 D CA -0.355 53.598 54.000 -0.077 0.000 0.970 256 D CB 1.323 42.146 40.800 0.038 0.000 1.369 256 D HN 0.406 nan 8.370 nan 0.000 0.585 257 N N 4.669 123.372 118.700 0.005 0.000 2.399 257 N HA 0.210 4.949 4.740 -0.000 0.000 0.295 257 N C 0.646 176.191 175.510 0.059 0.000 1.048 257 N CA -0.532 52.549 53.050 0.053 0.000 0.886 257 N CB 1.545 40.110 38.487 0.130 0.000 1.185 257 N HN 0.465 nan 8.380 nan 0.000 0.487 258 I N 3.617 124.210 120.570 0.039 0.000 2.830 258 I HA -0.134 4.035 4.170 -0.000 0.000 0.263 258 I C 1.389 177.589 176.117 0.138 0.000 1.230 258 I CA 0.559 61.871 61.300 0.020 0.000 1.480 258 I CB -0.444 37.513 38.000 -0.072 0.000 1.095 258 I HN 0.565 nan 8.210 nan 0.000 0.455 259 F N 2.194 122.188 119.950 0.074 0.000 2.259 259 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 259 F C 2.291 178.171 175.800 0.133 0.000 1.088 259 F CA 1.073 59.151 58.000 0.130 0.000 1.358 259 F CB -0.234 38.889 39.000 0.204 0.000 1.040 259 F HN -0.056 nan 8.300 nan 0.000 0.505 260 R N 0.146 120.720 120.500 0.123 0.000 2.249 260 R HA -0.204 4.136 4.340 -0.000 0.000 0.230 260 R C 2.051 178.309 176.300 -0.069 0.000 1.121 260 R CA 1.145 57.246 56.100 0.002 0.000 0.997 260 R CB -1.852 28.494 30.300 0.077 0.000 0.867 260 R HN 0.476 nan 8.270 nan 0.000 0.465 261 F N 1.902 121.757 119.950 -0.158 0.000 2.134 261 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 261 F C 1.771 177.465 175.800 -0.176 0.000 1.097 261 F CA 1.740 59.655 58.000 -0.141 0.000 1.264 261 F CB -0.293 38.632 39.000 -0.124 0.000 1.001 261 F HN -0.097 nan 8.300 nan 0.000 0.479 262 T N -0.161 114.136 114.554 -0.429 0.000 2.896 262 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 262 T C 1.864 176.317 174.700 -0.411 0.000 1.050 262 T CA 1.187 62.973 62.100 -0.523 0.000 1.140 262 T CB -0.337 68.260 68.868 -0.452 0.000 0.877 262 T HN 0.411 nan 8.240 nan 0.000 0.457 263 Q N 0.989 120.493 119.800 -0.495 0.000 2.050 263 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 263 Q C 2.360 178.284 176.000 -0.126 0.000 0.980 263 Q CA 1.460 57.120 55.803 -0.238 0.000 0.840 263 Q CB -0.279 28.337 28.738 -0.204 0.000 0.898 263 Q HN 0.534 nan 8.270 nan 0.000 0.424 264 A N -0.272 122.453 122.820 -0.159 0.000 2.168 264 A HA 0.027 4.346 4.320 -0.000 0.000 0.215 264 A C 1.920 179.410 177.584 -0.157 0.000 1.152 264 A CA 1.090 53.058 52.037 -0.116 0.000 0.716 264 A CB -0.469 18.480 19.000 -0.086 0.000 0.794 264 A HN 0.572 nan 8.150 nan 0.000 0.465 265 G N -0.210 108.440 108.800 -0.249 0.000 2.492 265 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 265 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 265 G C 1.865 176.690 174.900 -0.125 0.000 1.147 265 G CA 1.204 46.149 45.100 -0.258 0.000 0.809 265 G HN 0.741 nan 8.290 nan 0.000 0.533 266 S N 0.919 116.580 115.700 -0.065 0.000 2.387 266 S HA -0.038 4.432 4.470 -0.000 0.000 0.226 266 S C 1.885 176.472 174.600 -0.023 0.000 1.026 266 S CA 1.374 59.576 58.200 0.003 0.000 0.972 266 S CB -0.307 62.940 63.200 0.079 0.000 0.814 266 S HN 0.516 nan 8.310 nan 0.000 0.477 267 E N 1.067 121.247 120.200 -0.033 0.000 2.160 267 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 267 E C 2.092 178.676 176.600 -0.026 0.000 0.991 267 E CA 1.611 57.995 56.400 -0.027 0.000 0.810 267 E CB -0.352 29.333 29.700 -0.025 0.000 0.742 267 E HN 0.740 nan 8.360 nan 0.000 0.466 268 V N -2.624 117.269 119.914 -0.034 0.000 3.565 268 V HA 0.097 4.217 4.120 -0.000 0.000 0.260 268 V C 2.138 178.219 176.094 -0.022 0.000 1.231 268 V CA 0.717 63.001 62.300 -0.027 0.000 1.100 268 V CB 0.619 32.424 31.823 -0.030 0.000 0.807 268 V HN 0.063 nan 8.190 nan 0.000 0.454 269 S N 1.665 117.349 115.700 -0.026 0.000 2.370 269 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 269 S C 2.155 176.751 174.600 -0.007 0.000 1.033 269 S CA 2.068 60.259 58.200 -0.015 0.000 1.011 269 S CB -0.429 62.765 63.200 -0.010 0.000 0.852 269 S HN 0.923 nan 8.310 nan 0.000 0.457 270 A N 1.061 123.876 122.820 -0.009 0.000 1.933 270 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 270 A C 2.115 179.696 177.584 -0.005 0.000 1.175 270 A CA 1.250 53.283 52.037 -0.007 0.000 0.628 270 A CB -0.647 18.346 19.000 -0.012 0.000 0.814 270 A HN 0.588 nan 8.150 nan 0.000 0.444 271 L N -0.697 120.522 121.223 -0.007 0.000 2.478 271 L HA 0.051 4.390 4.340 -0.000 0.000 0.223 271 L C 1.803 178.672 176.870 -0.001 0.000 1.140 271 L CA 0.178 55.016 54.840 -0.004 0.000 0.842 271 L CB -0.184 41.871 42.059 -0.006 0.000 0.953 271 L HN 0.344 nan 8.230 nan 0.000 0.452 272 L N -0.361 120.862 121.223 0.000 0.000 2.554 272 L HA 0.121 4.461 4.340 -0.000 0.000 0.226 272 L C 1.344 178.219 176.870 0.008 0.000 1.137 272 L CA 0.567 55.410 54.840 0.005 0.000 0.863 272 L CB -0.235 41.826 42.059 0.004 0.000 0.985 272 L HN 0.455 nan 8.230 nan 0.000 0.451 273 G N 0.748 109.552 108.800 0.006 0.000 2.142 273 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 273 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 273 G C 0.136 175.041 174.900 0.008 0.000 1.015 273 G CA -0.347 44.757 45.100 0.007 0.000 0.716 273 G HN 0.331 nan 8.290 nan 0.000 0.508 274 R N -0.626 119.879 120.500 0.007 0.000 2.500 274 R HA 0.631 4.971 4.340 -0.000 0.000 0.277 274 R C 0.603 176.909 176.300 0.009 0.000 1.026 274 R CA -0.769 55.337 56.100 0.010 0.000 1.058 274 R CB 1.115 31.422 30.300 0.011 0.000 1.078 274 R HN 0.258 nan 8.270 nan 0.000 0.509 275 I N 4.674 125.250 120.570 0.011 0.000 2.322 275 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 275 I C -1.582 174.544 176.117 0.014 0.000 1.060 275 I CA -1.974 59.333 61.300 0.011 0.000 1.309 275 I CB 0.685 38.692 38.000 0.011 0.000 1.415 275 I HN 0.303 nan 8.210 nan 0.000 0.492 276 P HA -0.018 nan 4.420 nan 0.000 0.266 276 P C -0.105 177.210 177.300 0.025 0.000 1.193 276 P CA 0.145 63.255 63.100 0.017 0.000 0.770 276 P CB 1.170 32.872 31.700 0.003 0.000 0.836 277 S N 0.982 116.708 115.700 0.042 0.000 2.397 277 S HA 0.589 5.059 4.470 -0.000 0.000 0.261 277 S C -0.012 174.619 174.600 0.052 0.000 1.151 277 S CA -0.200 58.030 58.200 0.050 0.000 1.022 277 S CB 0.077 63.317 63.200 0.067 0.000 1.187 277 S HN 0.622 nan 8.310 nan 0.000 0.473 278 A N 0.328 123.188 122.820 0.068 0.000 2.477 278 A HA 0.475 4.795 4.320 -0.000 0.000 0.246 278 A C 1.074 178.708 177.584 0.083 0.000 1.078 278 A CA 0.314 52.391 52.037 0.066 0.000 0.770 278 A CB -0.529 18.513 19.000 0.070 0.000 1.011 278 A HN 1.518 nan 8.150 nan 0.000 0.494 279 V N 1.435 121.373 119.914 0.041 0.000 1.829 279 V HA -0.355 3.765 4.120 -0.000 0.000 0.077 279 V C 1.891 177.930 176.094 -0.093 0.000 0.722 279 V CA 2.320 64.623 62.300 0.005 0.000 1.573 279 V CB -1.990 29.877 31.823 0.072 0.000 1.665 279 V HN 2.852 nan 8.190 nan 0.000 0.866 280 G N -3.053 105.712 108.800 -0.059 0.000 2.253 280 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.209 280 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.209 280 G C -0.065 174.781 174.900 -0.090 0.000 0.997 280 G CA 0.076 45.114 45.100 -0.103 0.000 0.640 280 G HN 0.716 nan 8.290 nan 0.000 0.496 281 Y N 2.628 122.939 120.300 0.020 0.000 2.379 281 Y HA 0.345 4.895 4.550 -0.000 0.000 0.354 281 Y C 1.545 177.440 175.900 -0.007 0.000 1.269 281 Y CA 0.514 58.617 58.100 0.005 0.000 1.532 281 Y CB 0.297 38.768 38.460 0.018 0.000 1.371 281 Y HN 0.437 nan 8.280 nan 0.000 0.666 282 Q N 1.256 121.167 119.800 0.187 0.000 2.354 282 Q HA 0.165 4.505 4.340 -0.000 0.000 0.244 282 Q C -2.375 173.667 176.000 0.070 0.000 0.969 282 Q CA -1.781 54.069 55.803 0.079 0.000 0.885 282 Q CB 0.600 29.354 28.738 0.027 0.000 1.241 282 Q HN 0.333 nan 8.270 nan 0.000 0.461 283 P HA -0.095 nan 4.420 nan 0.000 0.216 283 P C 0.508 177.830 177.300 0.037 0.000 1.153 283 P CA 1.666 64.791 63.100 0.042 0.000 0.848 283 P CB -0.094 31.624 31.700 0.031 0.000 0.787 284 T N -2.616 111.955 114.554 0.029 0.000 4.058 284 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 284 T C 0.918 175.636 174.700 0.030 0.000 1.264 284 T CA -0.282 61.837 62.100 0.032 0.000 1.094 284 T CB -1.035 67.850 68.868 0.029 0.000 1.316 284 T HN -0.054 nan 8.240 nan 0.000 0.872 285 L N 1.253 122.495 121.223 0.032 0.000 2.189 285 L HA 0.414 4.753 4.340 -0.000 0.000 0.199 285 L C 2.669 179.574 176.870 0.059 0.000 1.074 285 L CA 0.847 55.697 54.840 0.017 0.000 0.783 285 L CB -0.542 41.509 42.059 -0.012 0.000 0.955 285 L HN 0.468 nan 8.230 nan 0.000 0.460 286 A N -0.344 122.516 122.820 0.066 0.000 1.972 286 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 286 A C 2.284 179.938 177.584 0.118 0.000 1.169 286 A CA 2.165 54.259 52.037 0.096 0.000 0.635 286 A CB -1.124 17.917 19.000 0.068 0.000 0.810 286 A HN 0.631 nan 8.150 nan 0.000 0.446 287 T N -2.399 112.211 114.554 0.093 0.000 2.809 287 T HA -0.094 4.256 4.350 -0.000 0.000 0.260 287 T C 1.341 176.112 174.700 0.119 0.000 1.039 287 T CA 1.300 63.456 62.100 0.094 0.000 1.141 287 T CB -0.542 68.367 68.868 0.068 0.000 0.869 287 T HN 0.282 nan 8.240 nan 0.000 0.437 288 D N 0.797 121.279 120.400 0.137 0.000 2.265 288 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 288 D C 1.836 178.315 176.300 0.298 0.000 0.977 288 D CA 0.776 54.910 54.000 0.225 0.000 0.871 288 D CB -0.326 40.591 40.800 0.196 0.000 0.925 288 D HN 0.453 nan 8.370 nan 0.000 0.485 289 M N -0.425 119.304 119.600 0.216 0.000 2.334 289 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 289 M C 1.916 178.200 176.300 -0.027 0.000 1.082 289 M CA 1.283 56.639 55.300 0.094 0.000 1.141 289 M CB 0.223 32.895 32.600 0.120 0.000 1.380 289 M HN -0.009 nan 8.290 nan 0.000 0.440 290 G N 0.570 109.444 108.800 0.124 0.000 2.403 290 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 290 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 290 G C 1.284 176.219 174.900 0.059 0.000 1.154 290 G CA 0.349 45.548 45.100 0.165 0.000 0.784 290 G HN 0.437 nan 8.290 nan 0.000 0.538 291 L N -0.309 120.939 121.223 0.042 0.000 2.622 291 L HA 0.207 4.547 4.340 -0.000 0.000 0.233 291 L C 2.080 178.918 176.870 -0.052 0.000 1.156 291 L CA 0.024 54.878 54.840 0.023 0.000 0.866 291 L CB 0.156 42.256 42.059 0.067 0.000 0.980 291 L HN 0.236 nan 8.230 nan 0.000 0.448 292 L N -2.048 119.087 121.223 -0.147 0.000 2.806 292 L HA 0.134 4.474 4.340 -0.000 0.000 0.242 292 L C 1.923 178.628 176.870 -0.275 0.000 1.068 292 L CA 0.859 55.528 54.840 -0.285 0.000 0.923 292 L CB 0.224 41.928 42.059 -0.591 0.000 1.364 292 L HN -0.048 nan 8.230 nan 0.000 0.511 293 Q N -0.338 119.293 119.800 -0.280 0.000 2.302 293 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 293 Q C 1.779 177.711 176.000 -0.114 0.000 0.936 293 Q CA 0.983 56.601 55.803 -0.309 0.000 0.886 293 Q CB 0.247 28.534 28.738 -0.752 0.000 0.986 293 Q HN 0.342 nan 8.270 nan 0.000 0.487 294 E N -0.085 120.097 120.200 -0.029 0.000 2.274 294 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 294 E C 1.473 178.067 176.600 -0.010 0.000 0.996 294 E CA 0.496 56.913 56.400 0.027 0.000 0.840 294 E CB 0.126 29.863 29.700 0.061 0.000 0.772 294 E HN 0.323 nan 8.360 nan 0.000 0.491 295 R N 0.237 120.710 120.500 -0.045 0.000 2.276 295 R HA 0.106 4.446 4.340 -0.000 0.000 0.203 295 R C 0.778 177.042 176.300 -0.058 0.000 1.017 295 R CA 0.376 56.447 56.100 -0.048 0.000 1.010 295 R CB 0.120 30.380 30.300 -0.067 0.000 0.900 295 R HN 0.066 nan 8.270 nan 0.000 0.469 296 I N 1.014 121.537 120.570 -0.077 0.000 2.395 296 I HA 0.168 4.338 4.170 -0.000 0.000 0.282 296 I C -0.087 175.993 176.117 -0.061 0.000 1.107 296 I CA -0.199 61.049 61.300 -0.085 0.000 1.210 296 I CB 1.222 39.143 38.000 -0.132 0.000 1.456 296 I HN -0.120 nan 8.210 nan 0.000 0.504 297 T N 2.181 116.712 114.554 -0.040 0.000 2.739 297 T HA 0.355 4.705 4.350 -0.000 0.000 0.303 297 T C -0.748 173.939 174.700 -0.021 0.000 1.389 297 T CA -0.275 61.809 62.100 -0.026 0.000 1.001 297 T CB 2.066 70.930 68.868 -0.007 0.000 1.436 297 T HN 0.225 nan 8.240 nan 0.000 0.500 298 T N 2.790 117.333 114.554 -0.018 0.000 2.743 298 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 298 T C 0.521 175.208 174.700 -0.020 0.000 0.972 298 T CA -0.414 61.677 62.100 -0.015 0.000 0.967 298 T CB 0.618 69.479 68.868 -0.013 0.000 0.926 298 T HN 0.824 nan 8.240 nan 0.000 0.459 299 T N 1.121 115.664 114.554 -0.019 0.000 2.902 299 T HA 0.428 4.778 4.350 -0.000 0.000 0.287 299 T C 1.298 175.980 174.700 -0.030 0.000 1.048 299 T CA -0.817 61.265 62.100 -0.029 0.000 0.941 299 T CB 0.983 69.836 68.868 -0.025 0.000 1.432 299 T HN 0.372 nan 8.240 nan 0.000 0.586 300 K N -0.038 120.339 120.400 -0.037 0.000 2.296 300 K HA 0.072 4.392 4.320 -0.000 0.000 0.200 300 K C 2.273 178.859 176.600 -0.024 0.000 1.048 300 K CA 0.407 56.673 56.287 -0.034 0.000 0.966 300 K CB 0.050 32.525 32.500 -0.042 0.000 0.754 300 K HN 0.310 nan 8.250 nan 0.000 0.466 301 K N 0.495 120.882 120.400 -0.021 0.000 1.975 301 K HA 0.010 4.330 4.320 -0.000 0.000 0.210 301 K C 1.209 177.806 176.600 -0.004 0.000 1.041 301 K CA 1.047 57.324 56.287 -0.017 0.000 0.942 301 K CB -0.378 32.108 32.500 -0.023 0.000 0.729 301 K HN 0.155 nan 8.250 nan 0.000 0.439 302 G N 0.433 109.236 108.800 0.005 0.000 2.566 302 G HA2 0.293 4.253 3.960 -0.000 0.000 0.311 302 G HA3 0.293 4.253 3.960 -0.000 0.000 0.311 302 G C -1.264 173.652 174.900 0.026 0.000 1.322 302 G CA -0.354 44.763 45.100 0.027 0.000 0.969 302 G HN 0.059 nan 8.290 nan 0.000 0.490 303 S N 0.468 116.188 115.700 0.033 0.000 2.489 303 S HA 0.537 5.007 4.470 -0.000 0.000 0.277 303 S C -0.123 174.501 174.600 0.039 0.000 1.230 303 S CA -0.446 57.770 58.200 0.026 0.000 1.053 303 S CB 0.657 63.871 63.200 0.023 0.000 0.955 303 S HN 0.502 nan 8.310 nan 0.000 0.488 304 V N 5.508 125.430 119.914 0.014 0.000 2.444 304 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 304 V C -0.023 176.043 176.094 -0.046 0.000 1.022 304 V CA -0.788 61.508 62.300 -0.007 0.000 0.850 304 V CB 1.806 33.618 31.823 -0.018 0.000 0.992 304 V HN 0.899 nan 8.190 nan 0.000 0.426 305 T N 3.799 118.311 114.554 -0.071 0.000 2.733 305 T HA 0.467 4.817 4.350 -0.000 0.000 0.294 305 T C 0.195 174.748 174.700 -0.244 0.000 0.956 305 T CA -0.357 61.669 62.100 -0.124 0.000 0.987 305 T CB 0.883 69.698 68.868 -0.089 0.000 0.920 305 T HN 0.835 nan 8.240 nan 0.000 0.470 306 S N 1.949 117.495 115.700 -0.257 0.000 2.503 306 S HA 0.756 5.225 4.470 -0.000 0.000 0.301 306 S C -0.649 173.701 174.600 -0.417 0.000 1.087 306 S CA -0.827 57.166 58.200 -0.345 0.000 1.042 306 S CB 1.526 64.578 63.200 -0.246 0.000 1.043 306 S HN 0.396 nan 8.310 nan 0.000 0.489 307 V N 3.125 122.711 119.914 -0.548 0.000 2.409 307 V HA 0.406 4.526 4.120 -0.000 0.000 0.290 307 V C -0.650 175.284 176.094 -0.267 0.000 1.017 307 V CA -0.509 61.525 62.300 -0.444 0.000 0.841 307 V CB 1.193 32.726 31.823 -0.484 0.000 1.003 307 V HN 0.955 nan 8.190 nan 0.000 0.426 308 Q N 3.233 122.880 119.800 -0.256 0.000 2.307 308 Q HA 0.747 5.087 4.340 -0.000 0.000 0.262 308 Q C -0.173 175.694 176.000 -0.222 0.000 0.961 308 Q CA -0.573 55.098 55.803 -0.220 0.000 0.882 308 Q CB 2.624 31.213 28.738 -0.250 0.000 1.264 308 Q HN 0.821 nan 8.270 nan 0.000 0.446 309 A N 2.770 125.513 122.820 -0.128 0.000 2.269 309 A HA 0.484 4.804 4.320 -0.000 0.000 0.302 309 A C -0.353 177.173 177.584 -0.097 0.000 1.266 309 A CA -0.471 51.504 52.037 -0.104 0.000 0.894 309 A CB 0.438 19.442 19.000 0.008 0.000 1.147 309 A HN 0.509 nan 8.150 nan 0.000 0.537 310 V N 4.139 123.938 119.914 -0.191 0.000 2.357 310 V HA 0.182 4.302 4.120 -0.000 0.000 0.284 310 V C -0.393 175.750 176.094 0.082 0.000 1.018 310 V CA -0.549 61.718 62.300 -0.054 0.000 0.841 310 V CB 0.710 32.387 31.823 -0.243 0.000 0.991 310 V HN 0.809 nan 8.190 nan 0.000 0.437 311 Y N 5.269 125.559 120.300 -0.017 0.000 2.397 311 Y HA 0.475 5.025 4.550 -0.000 0.000 0.335 311 Y C -0.068 175.603 175.900 -0.383 0.000 1.213 311 Y CA -0.028 57.948 58.100 -0.206 0.000 1.391 311 Y CB 1.243 39.532 38.460 -0.285 0.000 1.293 311 Y HN 0.386 nan 8.280 nan 0.000 0.557 312 V N 8.482 127.777 119.914 -1.033 0.000 2.378 312 V HA 0.320 4.439 4.120 -0.000 0.000 0.288 312 V C -2.329 173.158 176.094 -1.011 0.000 1.016 312 V CA -2.155 59.693 62.300 -0.754 0.000 0.840 312 V CB 1.312 32.933 31.823 -0.337 0.000 0.994 312 V HN 0.716 nan 8.190 nan 0.000 0.431 313 P HA 0.220 nan 4.420 nan 0.000 0.271 313 P C 0.503 177.726 177.300 -0.128 0.000 1.226 313 P CA 0.444 63.405 63.100 -0.231 0.000 0.765 313 P CB 0.842 32.591 31.700 0.081 0.000 0.835 314 A N 3.980 126.762 122.820 -0.063 0.000 2.799 314 A HA -0.261 4.059 4.320 -0.000 0.000 0.287 314 A C 0.735 178.282 177.584 -0.062 0.000 1.484 314 A CA 1.190 53.211 52.037 -0.026 0.000 0.813 314 A CB -2.662 16.345 19.000 0.011 0.000 1.009 314 A HN 0.615 nan 8.150 nan 0.000 0.545 315 D N -1.734 118.589 120.400 -0.128 0.000 2.837 315 D HA -0.155 4.485 4.640 -0.000 0.000 0.230 315 D C -0.363 175.887 176.300 -0.083 0.000 1.152 315 D CA 2.125 56.058 54.000 -0.111 0.000 0.736 315 D CB -0.944 39.817 40.800 -0.065 0.000 1.084 315 D HN 0.939 nan 8.370 nan 0.000 0.429 316 D N -0.219 120.132 120.400 -0.083 0.000 2.349 316 D HA 0.313 4.952 4.640 -0.000 0.000 0.232 316 D C 1.164 177.433 176.300 -0.051 0.000 1.071 316 D CA -0.543 53.428 54.000 -0.048 0.000 0.832 316 D CB 0.802 41.595 40.800 -0.012 0.000 1.086 316 D HN 0.059 nan 8.370 nan 0.000 0.504 317 L N 2.471 123.657 121.223 -0.062 0.000 2.446 317 L HA 0.028 4.368 4.340 -0.000 0.000 0.219 317 L C 2.081 178.911 176.870 -0.067 0.000 1.116 317 L CA 0.779 55.574 54.840 -0.076 0.000 0.844 317 L CB -0.243 41.737 42.059 -0.131 0.000 0.970 317 L HN 0.504 nan 8.230 nan 0.000 0.457 318 T N -4.426 110.100 114.554 -0.046 0.000 3.088 318 T HA -0.081 4.269 4.350 -0.000 0.000 0.259 318 T C 0.850 175.566 174.700 0.027 0.000 1.122 318 T CA -0.281 61.803 62.100 -0.028 0.000 1.095 318 T CB -0.288 68.565 68.868 -0.026 0.000 0.930 318 T HN 0.149 nan 8.240 nan 0.000 0.508 319 D N 3.127 123.561 120.400 0.057 0.000 2.586 319 D HA 0.006 4.646 4.640 -0.000 0.000 0.234 319 D C -1.474 174.906 176.300 0.133 0.000 1.132 319 D CA -1.359 52.724 54.000 0.139 0.000 0.860 319 D CB 1.390 42.298 40.800 0.180 0.000 1.159 319 D HN 0.048 nan 8.370 nan 0.000 0.490 320 P HA -0.185 nan 4.420 nan 0.000 0.217 320 P C 0.852 178.144 177.300 -0.014 0.000 1.148 320 P CA 1.902 65.045 63.100 0.072 0.000 0.834 320 P CB 0.143 31.916 31.700 0.122 0.000 0.783 321 A N -0.076 122.681 122.820 -0.106 0.000 1.835 321 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 321 A C -0.080 177.597 177.584 0.156 0.000 1.199 321 A CA 2.065 54.047 52.037 -0.091 0.000 0.615 321 A CB -2.195 16.775 19.000 -0.049 0.000 0.838 321 A HN 0.208 nan 8.150 nan 0.000 0.444 322 P HA 0.062 nan 4.420 nan 0.000 0.220 322 P C 1.494 178.968 177.300 0.290 0.000 1.152 322 P CA 1.511 64.783 63.100 0.286 0.000 0.812 322 P CB -0.117 31.704 31.700 0.203 0.000 0.792 323 A N -0.590 122.343 122.820 0.188 0.000 2.076 323 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 323 A C 1.969 179.661 177.584 0.179 0.000 1.160 323 A CA 2.184 54.303 52.037 0.137 0.000 0.653 323 A CB -1.697 17.323 19.000 0.034 0.000 0.801 323 A HN 0.199 nan 8.150 nan 0.000 0.455 324 T N -1.417 113.250 114.554 0.188 0.000 3.037 324 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 324 T C 1.749 176.616 174.700 0.279 0.000 1.073 324 T CA 1.170 63.377 62.100 0.179 0.000 1.091 324 T CB -0.002 68.946 68.868 0.132 0.000 0.935 324 T HN 0.480 nan 8.240 nan 0.000 0.488 325 T N 1.874 116.630 114.554 0.336 0.000 2.962 325 T HA 0.058 4.408 4.350 -0.000 0.000 0.270 325 T C 1.430 176.353 174.700 0.371 0.000 1.088 325 T CA 0.667 62.989 62.100 0.370 0.000 1.127 325 T CB -0.447 68.612 68.868 0.317 0.000 0.883 325 T HN 0.276 nan 8.240 nan 0.000 0.493 326 F N 2.011 122.122 119.950 0.268 0.000 2.095 326 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 326 F C 2.681 178.570 175.800 0.148 0.000 1.104 326 F CA 1.206 59.340 58.000 0.223 0.000 1.232 326 F CB -0.606 38.409 39.000 0.025 0.000 0.987 326 F HN 0.140 nan 8.300 nan 0.000 0.475 327 A N -1.285 121.688 122.820 0.256 0.000 2.024 327 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 327 A C 1.869 179.471 177.584 0.030 0.000 1.164 327 A CA 1.560 53.651 52.037 0.089 0.000 0.643 327 A CB -1.031 17.958 19.000 -0.019 0.000 0.806 327 A HN 0.472 nan 8.150 nan 0.000 0.451 328 H N -0.932 118.196 119.070 0.096 0.000 2.545 328 H HA 0.166 4.721 4.556 -0.000 0.000 0.282 328 H C 0.315 175.657 175.328 0.023 0.000 1.020 328 H CA 0.689 56.764 56.048 0.046 0.000 1.243 328 H CB -0.080 29.696 29.762 0.023 0.000 1.377 328 H HN 0.363 nan 8.280 nan 0.000 0.581 329 L N -0.331 120.977 121.223 0.142 0.000 2.304 329 L HA 0.181 4.521 4.340 -0.000 0.000 0.268 329 L C 0.960 177.875 176.870 0.075 0.000 1.010 329 L CA -0.678 54.206 54.840 0.075 0.000 0.813 329 L CB 1.479 43.559 42.059 0.035 0.000 1.315 329 L HN -0.129 nan 8.230 nan 0.000 0.445 330 D N 0.071 120.501 120.400 0.050 0.000 2.431 330 D HA 0.194 4.834 4.640 -0.000 0.000 0.235 330 D C 0.126 176.483 176.300 0.095 0.000 0.980 330 D CA 0.590 54.629 54.000 0.065 0.000 0.912 330 D CB 0.803 41.630 40.800 0.045 0.000 1.056 330 D HN 0.477 nan 8.370 nan 0.000 0.494 331 A N 0.702 123.581 122.820 0.098 0.000 2.371 331 A HA 0.607 4.927 4.320 -0.000 0.000 0.311 331 A C -0.440 177.229 177.584 0.142 0.000 1.068 331 A CA -0.478 51.661 52.037 0.170 0.000 0.744 331 A CB 1.511 20.698 19.000 0.311 0.000 1.239 331 A HN 0.019 nan 8.150 nan 0.000 0.435 332 T N -0.664 114.008 114.554 0.197 0.000 2.879 332 T HA 0.709 5.059 4.350 -0.000 0.000 0.290 332 T C -0.516 174.318 174.700 0.223 0.000 0.993 332 T CA -0.201 62.012 62.100 0.188 0.000 0.975 332 T CB 1.218 70.267 68.868 0.302 0.000 0.981 332 T HN 1.290 nan 8.240 nan 0.000 0.439 333 T N 0.231 114.881 114.554 0.159 0.000 2.815 333 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 333 T C 0.164 174.900 174.700 0.061 0.000 1.000 333 T CA -0.753 61.411 62.100 0.107 0.000 0.958 333 T CB 0.731 69.638 68.868 0.066 0.000 0.944 333 T HN 1.211 nan 8.240 nan 0.000 0.442 334 V N 2.096 122.081 119.914 0.119 0.000 2.612 334 V HA 0.716 4.836 4.120 -0.000 0.000 0.301 334 V C -0.368 175.743 176.094 0.028 0.000 1.046 334 V CA -1.202 61.177 62.300 0.132 0.000 0.946 334 V CB 1.176 33.102 31.823 0.173 0.000 1.003 334 V HN 0.918 nan 8.190 nan 0.000 0.459 335 L N 4.086 125.317 121.223 0.014 0.000 2.277 335 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 335 L C 0.480 177.351 176.870 0.001 0.000 1.028 335 L CA 0.049 54.883 54.840 -0.009 0.000 0.835 335 L CB 1.483 43.529 42.059 -0.022 0.000 1.215 335 L HN 0.904 nan 8.230 nan 0.000 0.425 336 S N 2.771 118.471 115.700 -0.000 0.000 2.499 336 S HA 0.229 4.699 4.470 -0.000 0.000 0.279 336 S C 1.145 175.735 174.600 -0.016 0.000 1.219 336 S CA -0.518 57.678 58.200 -0.007 0.000 1.062 336 S CB 1.116 64.315 63.200 -0.001 0.000 0.978 336 S HN 0.726 nan 8.310 nan 0.000 0.489 337 R N 3.485 123.976 120.500 -0.016 0.000 2.115 337 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 337 R C 2.048 178.339 176.300 -0.015 0.000 1.111 337 R CA 1.513 57.604 56.100 -0.015 0.000 0.976 337 R CB -0.932 29.365 30.300 -0.006 0.000 0.870 337 R HN 0.827 nan 8.270 nan 0.000 0.445 338 G N 1.335 110.128 108.800 -0.011 0.000 2.462 338 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 338 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 338 G C 1.290 176.187 174.900 -0.004 0.000 1.121 338 G CA 0.540 45.637 45.100 -0.004 0.000 0.758 338 G HN 0.212 nan 8.290 nan 0.000 0.559 339 I N 1.156 121.718 120.570 -0.015 0.000 2.333 339 I HA -0.034 4.136 4.170 -0.000 0.000 0.246 339 I C 2.782 178.852 176.117 -0.077 0.000 1.106 339 I CA 0.850 62.136 61.300 -0.023 0.000 1.411 339 I CB -1.228 36.760 38.000 -0.020 0.000 1.082 339 I HN 0.077 nan 8.210 nan 0.000 0.420 340 S N 0.934 116.562 115.700 -0.120 0.000 2.383 340 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 340 S C 1.817 176.375 174.600 -0.070 0.000 1.030 340 S CA 1.347 59.422 58.200 -0.207 0.000 1.002 340 S CB -0.271 62.857 63.200 -0.121 0.000 0.829 340 S HN 0.513 nan 8.310 nan 0.000 0.467 341 E N 0.942 121.136 120.200 -0.010 0.000 2.110 341 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 341 E C 1.944 178.570 176.600 0.043 0.000 0.988 341 E CA 0.859 57.277 56.400 0.030 0.000 0.804 341 E CB -0.341 29.374 29.700 0.025 0.000 0.745 341 E HN 0.455 nan 8.360 nan 0.000 0.458 342 L N -0.355 120.887 121.223 0.031 0.000 2.191 342 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 342 L C 1.663 178.580 176.870 0.078 0.000 1.103 342 L CA 0.925 55.794 54.840 0.049 0.000 0.769 342 L CB -0.370 41.722 42.059 0.055 0.000 0.908 342 L HN 0.387 nan 8.230 nan 0.000 0.438 343 G N -0.159 108.700 108.800 0.098 0.000 2.141 343 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.231 343 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.231 343 G C 0.129 175.250 174.900 0.369 0.000 0.984 343 G CA -0.461 44.798 45.100 0.264 0.000 0.660 343 G HN 0.122 nan 8.290 nan 0.000 0.525 344 I N 1.664 122.316 120.570 0.137 0.000 2.294 344 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 344 I C -0.111 176.008 176.117 0.002 0.000 1.098 344 I CA -1.151 60.254 61.300 0.174 0.000 1.277 344 I CB -0.781 37.295 38.000 0.126 0.000 1.434 344 I HN 0.063 nan 8.210 nan 0.000 0.498 345 Y N 7.732 128.125 120.300 0.154 0.000 2.331 345 Y HA 0.418 4.968 4.550 -0.000 0.000 0.338 345 Y C -1.913 174.049 175.900 0.103 0.000 0.992 345 Y CA -2.599 55.608 58.100 0.178 0.000 1.121 345 Y CB 1.148 39.730 38.460 0.204 0.000 1.184 345 Y HN 0.411 nan 8.280 nan 0.000 0.469 346 P HA 0.126 nan 4.420 nan 0.000 0.274 346 P C -0.352 177.077 177.300 0.215 0.000 1.237 346 P CA -0.393 63.010 63.100 0.504 0.000 0.793 346 P CB 1.169 33.360 31.700 0.818 0.000 0.977 347 A N 2.132 125.011 122.820 0.099 0.000 2.416 347 A HA 0.195 4.515 4.320 -0.000 0.000 0.252 347 A C 0.556 178.160 177.584 0.033 0.000 1.353 347 A CA -0.207 51.821 52.037 -0.014 0.000 0.996 347 A CB -1.237 17.707 19.000 -0.093 0.000 0.961 347 A HN 0.355 nan 8.150 nan 0.000 0.523 348 V N 1.284 121.248 119.914 0.084 0.000 2.585 348 V HA 0.011 4.131 4.120 -0.000 0.000 0.296 348 V C 0.455 176.581 176.094 0.052 0.000 1.035 348 V CA -0.317 62.017 62.300 0.056 0.000 1.084 348 V CB 0.935 32.819 31.823 0.102 0.000 0.953 348 V HN 0.547 nan 8.190 nan 0.000 0.483 349 D N 6.797 127.222 120.400 0.041 0.000 2.336 349 D HA 0.198 4.838 4.640 -0.000 0.000 0.249 349 D C -1.642 174.687 176.300 0.048 0.000 1.213 349 D CA -1.835 52.191 54.000 0.043 0.000 0.870 349 D CB 2.056 42.878 40.800 0.038 0.000 1.076 349 D HN 0.227 nan 8.370 nan 0.000 0.483 350 P HA -0.026 nan 4.420 nan 0.000 0.216 350 P C 0.890 178.209 177.300 0.032 0.000 1.153 350 P CA 0.841 63.962 63.100 0.035 0.000 0.844 350 P CB 0.222 31.944 31.700 0.038 0.000 0.787 351 L N -0.895 120.348 121.223 0.033 0.000 2.805 351 L HA 0.211 4.551 4.340 -0.000 0.000 0.237 351 L C 1.210 178.094 176.870 0.024 0.000 1.252 351 L CA 0.395 55.250 54.840 0.026 0.000 1.064 351 L CB -0.401 41.672 42.059 0.024 0.000 1.361 351 L HN 0.022 nan 8.230 nan 0.000 0.474 352 D N -1.298 119.125 120.400 0.038 0.000 2.212 352 D HA 0.007 4.647 4.640 -0.000 0.000 0.311 352 D C 0.390 176.744 176.300 0.089 0.000 1.091 352 D CA 0.146 54.173 54.000 0.046 0.000 0.910 352 D CB 0.717 41.542 40.800 0.042 0.000 1.707 352 D HN 0.085 nan 8.370 nan 0.000 0.522 353 S N 2.019 117.778 115.700 0.098 0.000 2.498 353 S HA 0.226 4.696 4.470 -0.000 0.000 0.281 353 S C 0.162 174.831 174.600 0.115 0.000 1.265 353 S CA 0.126 58.404 58.200 0.129 0.000 1.071 353 S CB 1.156 64.422 63.200 0.109 0.000 0.894 353 S HN 0.094 nan 8.310 nan 0.000 0.491 354 K N 1.298 121.786 120.400 0.146 0.000 2.395 354 K HA 0.735 5.055 4.320 -0.000 0.000 0.245 354 K C -0.559 176.123 176.600 0.137 0.000 1.017 354 K CA -0.743 55.619 56.287 0.125 0.000 0.852 354 K CB 2.061 34.631 32.500 0.117 0.000 1.311 354 K HN 0.508 nan 8.250 nan 0.000 0.452 355 S N -0.278 115.491 115.700 0.115 0.000 2.548 355 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 355 S C 0.204 174.854 174.600 0.083 0.000 1.150 355 S CA -0.602 57.664 58.200 0.110 0.000 0.907 355 S CB 1.116 64.382 63.200 0.110 0.000 1.108 355 S HN 0.615 nan 8.310 nan 0.000 0.459 356 R N 2.349 122.892 120.500 0.073 0.000 2.081 356 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 356 R C 1.666 177.982 176.300 0.027 0.000 1.131 356 R CA 1.293 57.422 56.100 0.048 0.000 0.960 356 R CB -0.371 29.955 30.300 0.043 0.000 0.856 356 R HN 0.513 nan 8.270 nan 0.000 0.436 357 L N 1.030 122.271 121.223 0.029 0.000 2.043 357 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 357 L C 1.148 178.003 176.870 -0.024 0.000 1.075 357 L CA 0.968 55.809 54.840 0.003 0.000 0.752 357 L CB -1.357 40.709 42.059 0.012 0.000 0.891 357 L HN 0.214 nan 8.230 nan 0.000 0.432 358 L N 1.470 122.692 121.223 -0.001 0.000 2.584 358 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 358 L C -0.349 176.519 176.870 -0.004 0.000 1.195 358 L CA 0.638 55.484 54.840 0.010 0.000 0.920 358 L CB -0.370 41.745 42.059 0.093 0.000 1.173 358 L HN 0.264 nan 8.230 nan 0.000 0.489 359 D N 2.734 123.086 120.400 -0.081 0.000 2.720 359 D HA 0.373 5.013 4.640 -0.000 0.000 0.239 359 D C 0.270 176.405 176.300 -0.275 0.000 1.218 359 D CA 0.104 53.940 54.000 -0.273 0.000 0.748 359 D CB 1.225 41.916 40.800 -0.181 0.000 1.387 359 D HN 0.528 nan 8.370 nan 0.000 0.438 360 A N 1.726 124.275 122.820 -0.451 0.000 2.019 360 A HA 0.239 4.559 4.320 -0.000 0.000 0.219 360 A C 1.637 179.160 177.584 -0.102 0.000 1.164 360 A CA 1.943 53.853 52.037 -0.213 0.000 0.644 360 A CB -0.404 18.464 19.000 -0.219 0.000 0.805 360 A HN 0.673 nan 8.150 nan 0.000 0.449 361 A N -1.342 121.407 122.820 -0.118 0.000 2.460 361 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 361 A C 1.229 178.777 177.584 -0.059 0.000 1.300 361 A CA 0.601 52.596 52.037 -0.070 0.000 0.913 361 A CB 0.167 19.128 19.000 -0.065 0.000 1.031 361 A HN 0.270 nan 8.150 nan 0.000 0.512 362 V N -1.195 118.676 119.914 -0.071 0.000 3.029 362 V HA -0.001 4.119 4.120 -0.000 0.000 0.230 362 V C 1.680 177.733 176.094 -0.069 0.000 1.254 362 V CA 1.306 63.568 62.300 -0.064 0.000 1.276 362 V CB 0.698 32.478 31.823 -0.072 0.000 1.080 362 V HN 0.446 nan 8.190 nan 0.000 0.495 363 V N -1.358 118.495 119.914 -0.101 0.000 3.427 363 V HA 0.826 4.945 4.120 -0.000 0.000 0.305 363 V C 0.633 176.725 176.094 -0.003 0.000 1.412 363 V CA 0.019 62.239 62.300 -0.132 0.000 1.086 363 V CB -0.422 31.117 31.823 -0.474 0.000 0.964 363 V HN 0.879 nan 8.190 nan 0.000 0.439 364 G N 0.901 109.714 108.800 0.021 0.000 2.675 364 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 364 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 364 G C -0.157 174.815 174.900 0.119 0.000 1.215 364 G CA 0.180 45.323 45.100 0.071 0.000 0.777 364 G HN 0.421 nan 8.290 nan 0.000 0.638 365 Q N -0.147 119.715 119.800 0.103 0.000 2.291 365 Q HA 0.005 4.345 4.340 -0.000 0.000 0.205 365 Q C 2.203 178.308 176.000 0.176 0.000 0.970 365 Q CA 2.533 58.420 55.803 0.140 0.000 0.876 365 Q CB -0.045 28.750 28.738 0.094 0.000 0.935 365 Q HN 0.773 nan 8.270 nan 0.000 0.455 366 E N -1.313 118.976 120.200 0.148 0.000 2.028 366 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 366 E C 1.752 178.449 176.600 0.162 0.000 0.984 366 E CA 0.927 57.406 56.400 0.130 0.000 0.800 366 E CB -0.231 29.530 29.700 0.101 0.000 0.758 366 E HN 0.661 nan 8.360 nan 0.000 0.448 367 H N -1.240 117.882 119.070 0.087 0.000 2.319 367 H HA -0.235 4.321 4.556 -0.000 0.000 0.297 367 H C 2.053 177.436 175.328 0.092 0.000 1.097 367 H CA 2.141 58.236 56.048 0.077 0.000 1.285 367 H CB -0.144 29.662 29.762 0.073 0.000 1.368 367 H HN 0.269 nan 8.280 nan 0.000 0.495 368 Y N 1.015 121.450 120.300 0.224 0.000 2.263 368 Y HA -0.150 4.400 4.550 -0.000 0.000 0.292 368 Y C 1.950 177.904 175.900 0.091 0.000 1.130 368 Y CA 1.580 59.762 58.100 0.137 0.000 1.179 368 Y CB -0.147 38.353 38.460 0.067 0.000 0.998 368 Y HN 0.288 nan 8.280 nan 0.000 0.532 369 D N -0.683 119.759 120.400 0.069 0.000 2.219 369 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 369 D C 2.274 178.539 176.300 -0.059 0.000 0.970 369 D CA 1.102 55.084 54.000 -0.030 0.000 0.851 369 D CB 0.082 40.920 40.800 0.063 0.000 0.943 369 D HN 0.316 nan 8.370 nan 0.000 0.488 370 V N 1.219 121.120 119.914 -0.022 0.000 2.273 370 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 370 V C 2.560 178.610 176.094 -0.073 0.000 1.035 370 V CA 1.602 63.885 62.300 -0.029 0.000 1.013 370 V CB -0.701 31.107 31.823 -0.026 0.000 0.652 370 V HN 0.139 nan 8.190 nan 0.000 0.452 371 A N -0.352 122.414 122.820 -0.089 0.000 1.948 371 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 371 A C 2.451 179.952 177.584 -0.139 0.000 1.177 371 A CA 2.487 54.462 52.037 -0.103 0.000 0.636 371 A CB -0.677 18.321 19.000 -0.003 0.000 0.815 371 A HN 0.518 nan 8.150 nan 0.000 0.449 372 S N -0.614 114.942 115.700 -0.239 0.000 2.371 372 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 372 S C 1.909 176.433 174.600 -0.128 0.000 1.029 372 S CA 1.389 59.439 58.200 -0.250 0.000 0.978 372 S CB -0.168 62.766 63.200 -0.444 0.000 0.833 372 S HN 0.634 nan 8.310 nan 0.000 0.466 373 K N 0.693 121.034 120.400 -0.097 0.000 2.217 373 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 373 K C 1.889 178.478 176.600 -0.018 0.000 1.051 373 K CA 0.647 56.909 56.287 -0.042 0.000 0.952 373 K CB -0.166 32.322 32.500 -0.021 0.000 0.736 373 K HN 0.141 nan 8.250 nan 0.000 0.453 374 V N 1.592 121.492 119.914 -0.022 0.000 2.427 374 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 374 V C 2.062 178.154 176.094 -0.003 0.000 1.051 374 V CA 1.648 63.949 62.300 0.002 0.000 1.048 374 V CB -0.286 31.524 31.823 -0.022 0.000 0.666 374 V HN 0.346 nan 8.190 nan 0.000 0.456 375 Q N -0.677 119.107 119.800 -0.026 0.000 2.230 375 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 375 Q C 2.181 178.180 176.000 -0.001 0.000 0.963 375 Q CA 1.168 56.963 55.803 -0.013 0.000 0.866 375 Q CB -0.045 28.677 28.738 -0.026 0.000 0.931 375 Q HN 0.685 nan 8.270 nan 0.000 0.452 376 E N -0.195 119.998 120.200 -0.010 0.000 2.150 376 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 376 E C 1.733 178.343 176.600 0.017 0.000 0.985 376 E CA 1.340 57.739 56.400 -0.000 0.000 0.814 376 E CB 0.192 29.886 29.700 -0.010 0.000 0.752 376 E HN 0.267 nan 8.360 nan 0.000 0.466 377 T N 1.149 115.715 114.554 0.021 0.000 2.809 377 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 377 T C 1.965 176.702 174.700 0.062 0.000 1.039 377 T CA 0.488 62.608 62.100 0.033 0.000 1.141 377 T CB -0.091 68.788 68.868 0.019 0.000 0.869 377 T HN 0.057 nan 8.240 nan 0.000 0.437 378 L N 1.001 122.261 121.223 0.062 0.000 2.083 378 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 378 L C 2.841 179.785 176.870 0.123 0.000 1.083 378 L CA 1.184 56.086 54.840 0.103 0.000 0.752 378 L CB -0.441 41.665 42.059 0.079 0.000 0.899 378 L HN 0.235 nan 8.230 nan 0.000 0.433 379 Q N -0.223 119.620 119.800 0.071 0.000 2.119 379 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 379 Q C 2.027 178.057 176.000 0.049 0.000 0.972 379 Q CA 2.100 57.932 55.803 0.048 0.000 0.847 379 Q CB -0.219 28.534 28.738 0.025 0.000 0.903 379 Q HN 0.322 nan 8.270 nan 0.000 0.433 380 T N -0.268 114.324 114.554 0.064 0.000 2.833 380 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 380 T C 1.094 175.851 174.700 0.095 0.000 1.054 380 T CA 1.295 63.432 62.100 0.062 0.000 1.135 380 T CB -0.440 68.463 68.868 0.059 0.000 0.869 380 T HN 0.437 nan 8.240 nan 0.000 0.466 381 Y N 1.746 122.045 120.300 -0.002 0.000 2.395 381 Y HA 0.156 4.705 4.550 -0.000 0.000 0.293 381 Y C 2.252 178.151 175.900 -0.001 0.000 1.123 381 Y CA 0.808 58.907 58.100 -0.002 0.000 1.227 381 Y CB -0.054 38.406 38.460 -0.001 0.000 1.012 381 Y HN 0.008 nan 8.280 nan 0.000 0.552 382 K N -1.055 119.320 120.400 -0.043 0.000 2.296 382 K HA -0.061 4.259 4.320 -0.000 0.000 0.200 382 K C 1.779 178.313 176.600 -0.110 0.000 1.048 382 K CA 1.126 57.346 56.287 -0.112 0.000 0.966 382 K CB -0.163 32.326 32.500 -0.019 0.000 0.754 382 K HN 0.170 nan 8.250 nan 0.000 0.466 383 S N 0.147 115.807 115.700 -0.067 0.000 2.597 383 S HA 0.225 4.695 4.470 -0.000 0.000 0.224 383 S C 0.878 175.441 174.600 -0.062 0.000 0.955 383 S CA -0.339 57.830 58.200 -0.052 0.000 0.933 383 S CB 0.148 63.334 63.200 -0.022 0.000 0.788 383 S HN 0.331 nan 8.310 nan 0.000 0.488 384 L N 0.173 121.332 121.223 -0.106 0.000 3.086 384 L HA 0.263 4.603 4.340 -0.000 0.000 0.274 384 L C 1.954 178.730 176.870 -0.157 0.000 1.184 384 L CA -0.129 54.653 54.840 -0.097 0.000 1.002 384 L CB 0.065 42.096 42.059 -0.047 0.000 1.383 384 L HN 0.120 nan 8.230 nan 0.000 0.582 385 Q N 0.894 120.552 119.800 -0.236 0.000 2.012 385 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 385 Q C 1.248 177.165 176.000 -0.138 0.000 1.009 385 Q CA 2.225 57.876 55.803 -0.254 0.000 0.866 385 Q CB -0.230 28.374 28.738 -0.223 0.000 0.945 385 Q HN 0.473 nan 8.270 nan 0.000 0.414 386 D N 0.145 120.488 120.400 -0.096 0.000 2.097 386 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 386 D C 2.042 178.314 176.300 -0.046 0.000 0.989 386 D CA 0.642 54.605 54.000 -0.061 0.000 0.827 386 D CB -0.263 40.509 40.800 -0.048 0.000 0.966 386 D HN 0.173 nan 8.370 nan 0.000 0.456 387 I N 0.744 121.287 120.570 -0.045 0.000 2.194 387 I HA -0.240 3.930 4.170 -0.000 0.000 0.246 387 I C 2.359 178.463 176.117 -0.022 0.000 1.093 387 I CA 0.873 62.155 61.300 -0.029 0.000 1.355 387 I CB -0.920 37.066 38.000 -0.024 0.000 1.046 387 I HN -0.006 nan 8.210 nan 0.000 0.413 388 I N 1.244 121.795 120.570 -0.031 0.000 2.252 388 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 388 I C 2.646 178.757 176.117 -0.011 0.000 1.102 388 I CA 1.440 62.732 61.300 -0.013 0.000 1.385 388 I CB -0.762 37.232 38.000 -0.010 0.000 1.064 388 I HN 0.109 nan 8.210 nan 0.000 0.414 389 A N -0.134 122.670 122.820 -0.026 0.000 2.070 389 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 389 A C 2.216 179.794 177.584 -0.010 0.000 1.159 389 A CA 1.402 53.428 52.037 -0.018 0.000 0.656 389 A CB -0.575 18.408 19.000 -0.029 0.000 0.800 389 A HN 0.395 nan 8.150 nan 0.000 0.453 390 I N -0.978 119.585 120.570 -0.012 0.000 3.700 390 I HA 0.010 4.180 4.170 -0.000 0.000 0.232 390 I C 1.624 177.739 176.117 -0.003 0.000 1.033 390 I CA 0.489 61.784 61.300 -0.008 0.000 1.525 390 I CB -0.412 37.582 38.000 -0.010 0.000 1.411 390 I HN 0.322 nan 8.210 nan 0.000 0.458 391 L N 0.446 121.667 121.223 -0.003 0.000 2.715 391 L HA 0.579 4.919 4.340 -0.000 0.000 0.238 391 L C 0.511 177.383 176.870 0.004 0.000 1.212 391 L CA -0.346 54.494 54.840 0.000 0.000 1.017 391 L CB -0.989 41.069 42.059 -0.001 0.000 1.269 391 L HN 0.403 nan 8.230 nan 0.000 0.452 392 G N 0.390 109.193 108.800 0.005 0.000 2.758 392 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.686 392 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.686 392 G C -0.114 174.794 174.900 0.014 0.000 1.389 392 G CA 0.090 45.196 45.100 0.011 0.000 0.845 392 G HN 0.302 nan 8.290 nan 0.000 0.572 393 M N 0.519 120.132 119.600 0.021 0.000 2.514 393 M HA 0.055 4.535 4.480 -0.000 0.000 0.258 393 M C 2.235 178.549 176.300 0.024 0.000 1.119 393 M CA 1.890 57.208 55.300 0.029 0.000 1.111 393 M CB -0.173 32.452 32.600 0.041 0.000 1.390 393 M HN 0.722 nan 8.290 nan 0.000 0.475 394 D N -0.368 120.042 120.400 0.018 0.000 2.224 394 D HA -0.181 4.459 4.640 -0.000 0.000 0.205 394 D C 1.155 177.463 176.300 0.012 0.000 0.965 394 D CA 0.972 54.980 54.000 0.014 0.000 0.852 394 D CB -0.668 40.139 40.800 0.012 0.000 0.947 394 D HN 0.327 nan 8.370 nan 0.000 0.494 395 E N 0.230 120.437 120.200 0.011 0.000 2.516 395 E HA 0.081 4.431 4.350 -0.000 0.000 0.199 395 E C 0.965 177.571 176.600 0.009 0.000 1.069 395 E CA -0.085 56.320 56.400 0.008 0.000 0.876 395 E CB 0.164 29.868 29.700 0.006 0.000 0.843 395 E HN 0.475 nan 8.360 nan 0.000 0.530 396 L N 0.568 121.799 121.223 0.013 0.000 2.475 396 L HA 0.061 4.401 4.340 -0.000 0.000 0.250 396 L C 0.822 177.700 176.870 0.013 0.000 1.224 396 L CA -0.144 54.705 54.840 0.015 0.000 0.821 396 L CB 0.466 42.539 42.059 0.023 0.000 1.141 396 L HN -0.150 nan 8.230 nan 0.000 0.494 397 S N -0.176 115.532 115.700 0.013 0.000 2.610 397 S HA 0.094 4.564 4.470 -0.000 0.000 0.273 397 S C 0.783 175.390 174.600 0.012 0.000 1.274 397 S CA -0.789 57.417 58.200 0.011 0.000 1.023 397 S CB 1.471 64.677 63.200 0.010 0.000 0.962 397 S HN 0.484 nan 8.310 nan 0.000 0.523 398 E N 1.732 121.938 120.200 0.009 0.000 2.097 398 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 398 E C 1.786 178.392 176.600 0.009 0.000 1.000 398 E CA 1.576 57.980 56.400 0.008 0.000 0.804 398 E CB -0.167 29.537 29.700 0.006 0.000 0.740 398 E HN 0.652 nan 8.360 nan 0.000 0.454 399 Q N 0.066 119.872 119.800 0.009 0.000 2.172 399 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 399 Q C 1.399 177.407 176.000 0.013 0.000 0.964 399 Q CA 1.093 56.901 55.803 0.009 0.000 0.855 399 Q CB 0.077 28.820 28.738 0.009 0.000 0.918 399 Q HN 0.219 nan 8.270 nan 0.000 0.444 400 D N 0.340 120.750 120.400 0.017 0.000 2.234 400 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 400 D C 1.496 177.814 176.300 0.031 0.000 0.962 400 D CA 0.822 54.837 54.000 0.025 0.000 0.855 400 D CB 0.050 40.865 40.800 0.025 0.000 0.951 400 D HN 0.060 nan 8.370 nan 0.000 0.500 401 K N 0.207 120.621 120.400 0.023 0.000 2.155 401 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 401 K C 1.806 178.414 176.600 0.013 0.000 1.052 401 K CA 0.447 56.748 56.287 0.023 0.000 0.948 401 K CB 0.021 32.532 32.500 0.017 0.000 0.728 401 K HN 0.044 nan 8.250 nan 0.000 0.448 402 L N 0.909 122.136 121.223 0.007 0.000 2.156 402 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 402 L C 1.788 178.652 176.870 -0.010 0.000 1.095 402 L CA 1.728 56.567 54.840 -0.003 0.000 0.770 402 L CB -0.375 41.683 42.059 -0.001 0.000 0.914 402 L HN 0.102 nan 8.230 nan 0.000 0.439 403 T N -1.609 112.947 114.554 0.003 0.000 2.951 403 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 403 T C 1.917 176.612 174.700 -0.009 0.000 1.073 403 T CA 1.329 63.431 62.100 0.002 0.000 1.134 403 T CB -0.186 68.697 68.868 0.024 0.000 0.884 403 T HN 0.166 nan 8.240 nan 0.000 0.479 404 V N 1.603 121.524 119.914 0.011 0.000 2.302 404 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 404 V C 2.473 178.488 176.094 -0.131 0.000 1.036 404 V CA 1.482 63.781 62.300 -0.002 0.000 1.020 404 V CB -0.578 31.313 31.823 0.114 0.000 0.657 404 V HN 0.494 nan 8.190 nan 0.000 0.453 405 E N 0.152 120.305 120.200 -0.078 0.000 2.070 405 E HA -0.302 4.048 4.350 -0.000 0.000 0.197 405 E C 2.401 178.908 176.600 -0.155 0.000 1.004 405 E CA 1.660 58.001 56.400 -0.098 0.000 0.805 405 E CB -0.252 29.418 29.700 -0.050 0.000 0.744 405 E HN 0.410 nan 8.360 nan 0.000 0.451 406 R N 0.418 120.837 120.500 -0.135 0.000 2.115 406 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 406 R C 2.229 178.401 176.300 -0.214 0.000 1.111 406 R CA 1.050 57.050 56.100 -0.167 0.000 0.976 406 R CB -0.099 30.143 30.300 -0.097 0.000 0.870 406 R HN 0.161 nan 8.270 nan 0.000 0.445 407 A N 1.151 123.844 122.820 -0.212 0.000 1.855 407 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 407 A C 2.079 179.441 177.584 -0.370 0.000 1.191 407 A CA 1.242 53.125 52.037 -0.257 0.000 0.613 407 A CB -0.446 18.389 19.000 -0.274 0.000 0.829 407 A HN 0.302 nan 8.150 nan 0.000 0.442 408 R N -0.033 120.165 120.500 -0.504 0.000 2.103 408 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 408 R C 2.227 178.368 176.300 -0.264 0.000 1.142 408 R CA 1.872 57.718 56.100 -0.422 0.000 0.960 408 R CB -0.418 29.681 30.300 -0.336 0.000 0.858 408 R HN 0.552 nan 8.270 nan 0.000 0.439 409 K N 0.539 120.732 120.400 -0.345 0.000 2.002 409 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 409 K C 2.193 178.539 176.600 -0.423 0.000 1.048 409 K CA 1.456 57.404 56.287 -0.565 0.000 0.930 409 K CB -0.254 31.578 32.500 -1.113 0.000 0.714 409 K HN 0.141 nan 8.250 nan 0.000 0.438 410 I N 1.364 121.758 120.570 -0.294 0.000 2.151 410 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 410 I C 2.863 179.062 176.117 0.136 0.000 1.080 410 I CA 1.436 62.740 61.300 0.007 0.000 1.339 410 I CB -0.392 37.642 38.000 0.057 0.000 1.039 410 I HN 0.331 nan 8.210 nan 0.000 0.409 411 Q N 1.140 120.957 119.800 0.028 0.000 2.181 411 Q HA -0.214 4.126 4.340 -0.000 0.000 0.205 411 Q C 2.196 178.270 176.000 0.124 0.000 0.980 411 Q CA 1.553 57.397 55.803 0.069 0.000 0.862 411 Q CB 0.089 28.836 28.738 0.015 0.000 0.905 411 Q HN 0.508 nan 8.270 nan 0.000 0.429 412 R N -1.169 119.409 120.500 0.129 0.000 2.223 412 R HA 0.002 4.342 4.340 -0.000 0.000 0.198 412 R C 1.771 178.248 176.300 0.294 0.000 0.984 412 R CA 0.258 56.493 56.100 0.224 0.000 1.018 412 R CB -0.037 30.404 30.300 0.235 0.000 0.945 412 R HN 0.182 nan 8.270 nan 0.000 0.479 413 F N 1.558 121.570 119.950 0.103 0.000 2.604 413 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 413 F C 1.503 177.425 175.800 0.204 0.000 1.131 413 F CA 0.582 58.648 58.000 0.110 0.000 1.457 413 F CB 0.037 39.014 39.000 -0.038 0.000 1.095 413 F HN -0.115 nan 8.300 nan 0.000 0.574 414 L N -0.932 120.424 121.223 0.222 0.000 2.313 414 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 414 L C 1.430 178.315 176.870 0.024 0.000 1.119 414 L CA 0.371 55.284 54.840 0.122 0.000 0.809 414 L CB -0.614 41.519 42.059 0.124 0.000 0.933 414 L HN -0.019 nan 8.230 nan 0.000 0.449 415 S N 0.694 116.415 115.700 0.036 0.000 2.537 415 S HA 0.059 4.529 4.470 -0.000 0.000 0.286 415 S C -0.258 174.234 174.600 -0.180 0.000 1.299 415 S CA -0.059 58.114 58.200 -0.045 0.000 1.067 415 S CB 0.350 63.513 63.200 -0.061 0.000 0.864 415 S HN 0.332 nan 8.310 nan 0.000 0.494 416 Q N 4.854 124.500 119.800 -0.256 0.000 2.313 416 Q HA 0.422 4.762 4.340 -0.000 0.000 0.260 416 Q C -2.951 172.692 176.000 -0.594 0.000 0.972 416 Q CA -1.967 53.599 55.803 -0.395 0.000 0.886 416 Q CB 1.818 30.317 28.738 -0.398 0.000 1.373 416 Q HN 0.387 nan 8.270 nan 0.000 0.416 417 P HA 0.156 nan 4.420 nan 0.000 0.270 417 P C -1.213 175.747 177.300 -0.566 0.000 1.223 417 P CA 0.200 63.057 63.100 -0.404 0.000 0.785 417 P CB 0.326 31.874 31.700 -0.254 0.000 0.923 418 F N -0.476 119.409 119.950 -0.108 0.000 2.540 418 F HA 0.489 5.016 4.527 -0.000 0.000 0.317 418 F C 1.299 177.015 175.800 -0.140 0.000 1.104 418 F CA -0.711 57.222 58.000 -0.112 0.000 0.913 418 F CB 0.996 39.946 39.000 -0.084 0.000 1.170 418 F HN 0.292 nan 8.300 nan 0.000 0.450 419 A N 2.244 125.120 122.820 0.092 0.000 1.869 419 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 419 A C 2.077 179.637 177.584 -0.040 0.000 1.203 419 A CA 2.640 54.675 52.037 -0.004 0.000 0.638 419 A CB -1.101 17.895 19.000 -0.006 0.000 0.831 419 A HN 0.597 nan 8.150 nan 0.000 0.450 420 V N -0.272 119.626 119.914 -0.027 0.000 2.469 420 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 420 V C 2.825 178.851 176.094 -0.114 0.000 1.064 420 V CA 1.961 64.230 62.300 -0.051 0.000 1.066 420 V CB -1.341 30.459 31.823 -0.038 0.000 0.667 420 V HN 0.648 nan 8.190 nan 0.000 0.461 421 A N -0.566 122.154 122.820 -0.168 0.000 2.206 421 A HA -0.125 4.195 4.320 -0.000 0.000 0.211 421 A C 2.195 179.326 177.584 -0.755 0.000 1.158 421 A CA 1.087 52.760 52.037 -0.607 0.000 0.761 421 A CB -0.505 18.288 19.000 -0.344 0.000 0.801 421 A HN 0.635 nan 8.150 nan 0.000 0.473 422 E N 0.149 120.133 120.200 -0.359 0.000 2.209 422 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 422 E C 1.572 178.016 176.600 -0.260 0.000 0.993 422 E CA 1.391 57.631 56.400 -0.267 0.000 0.819 422 E CB -0.151 29.460 29.700 -0.148 0.000 0.745 422 E HN 0.387 nan 8.360 nan 0.000 0.477 423 V N 0.647 120.407 119.914 -0.257 0.000 2.295 423 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 423 V C 2.052 178.119 176.094 -0.046 0.000 1.049 423 V CA 2.231 64.468 62.300 -0.105 0.000 1.024 423 V CB -0.670 31.153 31.823 0.000 0.000 0.648 423 V HN 0.496 nan 8.190 nan 0.000 0.447 424 F N -1.345 118.597 119.950 -0.013 0.000 2.694 424 F HA 0.249 4.776 4.527 -0.000 0.000 0.292 424 F C 2.041 177.817 175.800 -0.040 0.000 1.121 424 F CA 0.634 58.623 58.000 -0.020 0.000 1.352 424 F CB -1.305 37.685 39.000 -0.015 0.000 1.107 424 F HN -0.112 nan 8.300 nan 0.000 0.597 425 T N 0.159 114.478 114.554 -0.391 0.000 2.732 425 T HA 0.231 4.581 4.350 -0.000 0.000 0.261 425 T C 2.048 176.691 174.700 -0.096 0.000 1.040 425 T CA 2.053 64.026 62.100 -0.212 0.000 1.145 425 T CB -0.951 67.704 68.868 -0.355 0.000 0.866 425 T HN 0.659 nan 8.240 nan 0.000 0.427 426 G N 0.763 109.491 108.800 -0.120 0.000 2.232 426 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 426 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 426 G C 0.205 175.067 174.900 -0.064 0.000 0.996 426 G CA -0.219 44.844 45.100 -0.061 0.000 0.626 426 G HN 0.538 nan 8.290 nan 0.000 0.509 427 I N 2.853 123.368 120.570 -0.091 0.000 2.312 427 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 427 I C -2.119 173.935 176.117 -0.105 0.000 1.008 427 I CA -2.169 59.080 61.300 -0.084 0.000 1.226 427 I CB 1.628 39.576 38.000 -0.087 0.000 1.371 427 I HN -0.142 nan 8.210 nan 0.000 0.468 428 P HA 0.002 nan 4.420 nan 0.000 0.260 428 P C 0.296 177.541 177.300 -0.093 0.000 1.185 428 P CA -0.002 63.050 63.100 -0.081 0.000 0.763 428 P CB 0.388 32.052 31.700 -0.060 0.000 0.776 429 G N 3.509 112.253 108.800 -0.094 0.000 2.491 429 G HA2 0.218 4.178 3.960 -0.000 0.000 0.242 429 G HA3 0.218 4.178 3.960 -0.000 0.000 0.242 429 G C -0.537 174.309 174.900 -0.091 0.000 1.266 429 G CA -0.441 44.597 45.100 -0.103 0.000 0.844 429 G HN 0.379 nan 8.290 nan 0.000 0.571 430 K N 1.427 121.757 120.400 -0.117 0.000 2.463 430 K HA 0.320 4.640 4.320 -0.000 0.000 0.255 430 K C -0.656 175.890 176.600 -0.091 0.000 0.942 430 K CA -0.639 55.593 56.287 -0.092 0.000 0.814 430 K CB 2.567 35.010 32.500 -0.095 0.000 1.122 430 K HN 0.390 nan 8.250 nan 0.000 0.425 431 L N 3.431 124.621 121.223 -0.054 0.000 2.371 431 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 431 L C -0.941 175.907 176.870 -0.038 0.000 1.124 431 L CA -0.635 54.184 54.840 -0.037 0.000 0.816 431 L CB 0.927 42.978 42.059 -0.014 0.000 1.129 431 L HN 0.326 nan 8.230 nan 0.000 0.448 432 V N 5.059 124.952 119.914 -0.035 0.000 2.588 432 V HA 0.500 4.620 4.120 -0.000 0.000 0.304 432 V C -0.042 176.048 176.094 -0.006 0.000 1.042 432 V CA -0.799 61.485 62.300 -0.027 0.000 0.877 432 V CB 1.864 33.659 31.823 -0.047 0.000 0.996 432 V HN 0.783 nan 8.190 nan 0.000 0.425 433 R N 2.173 122.676 120.500 0.005 0.000 2.583 433 R HA 0.432 4.772 4.340 -0.000 0.000 0.268 433 R C 1.116 177.432 176.300 0.026 0.000 1.101 433 R CA -0.635 55.475 56.100 0.017 0.000 1.180 433 R CB 0.955 31.267 30.300 0.019 0.000 1.128 433 R HN 0.664 nan 8.270 nan 0.000 0.568 434 L N 1.466 122.711 121.223 0.037 0.000 2.005 434 L HA -0.160 4.179 4.340 -0.000 0.000 0.207 434 L C 1.947 178.850 176.870 0.055 0.000 1.072 434 L CA 1.572 56.445 54.840 0.054 0.000 0.744 434 L CB -0.078 42.029 42.059 0.080 0.000 0.895 434 L HN 0.477 nan 8.230 nan 0.000 0.433 435 K N -0.249 120.185 120.400 0.056 0.000 2.211 435 K HA -0.242 4.078 4.320 -0.000 0.000 0.204 435 K C 1.656 178.287 176.600 0.051 0.000 1.047 435 K CA 1.657 57.977 56.287 0.055 0.000 0.935 435 K CB -0.418 32.111 32.500 0.049 0.000 0.728 435 K HN 0.454 nan 8.250 nan 0.000 0.452 436 D N 0.029 120.457 120.400 0.048 0.000 2.162 436 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 436 D C 1.468 177.819 176.300 0.085 0.000 0.964 436 D CA 1.258 55.291 54.000 0.055 0.000 0.847 436 D CB 0.094 40.917 40.800 0.038 0.000 0.988 436 D HN 0.027 nan 8.370 nan 0.000 0.480 437 T N -0.104 114.497 114.554 0.079 0.000 2.708 437 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 437 T C 2.129 176.949 174.700 0.199 0.000 1.037 437 T CA 1.488 63.673 62.100 0.142 0.000 1.146 437 T CB -0.464 68.433 68.868 0.047 0.000 0.865 437 T HN -0.006 nan 8.240 nan 0.000 0.435 438 V N 1.769 121.701 119.914 0.031 0.000 2.392 438 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 438 V C 2.876 179.019 176.094 0.082 0.000 1.059 438 V CA 1.705 63.974 62.300 -0.051 0.000 1.051 438 V CB -1.234 30.489 31.823 -0.166 0.000 0.658 438 V HN 0.547 nan 8.190 nan 0.000 0.455 439 A N -0.439 122.440 122.820 0.098 0.000 1.897 439 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 439 A C 2.475 180.143 177.584 0.140 0.000 1.181 439 A CA 1.896 53.996 52.037 0.104 0.000 0.620 439 A CB -0.618 18.430 19.000 0.080 0.000 0.821 439 A HN 0.493 nan 8.150 nan 0.000 0.443 440 S N -0.717 115.088 115.700 0.176 0.000 2.382 440 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 440 S C 1.518 176.200 174.600 0.136 0.000 1.027 440 S CA 1.510 59.802 58.200 0.153 0.000 0.991 440 S CB -0.471 62.872 63.200 0.238 0.000 0.823 440 S HN 0.556 nan 8.310 nan 0.000 0.469 441 F N 1.467 121.535 119.950 0.197 0.000 2.335 441 F HA 0.172 4.699 4.527 -0.000 0.000 0.296 441 F C 2.207 178.061 175.800 0.090 0.000 1.091 441 F CA 0.594 58.700 58.000 0.176 0.000 1.399 441 F CB -0.163 38.908 39.000 0.120 0.000 1.067 441 F HN 0.056 nan 8.300 nan 0.000 0.520 442 K N 0.707 121.244 120.400 0.228 0.000 2.147 442 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 442 K C 2.167 178.841 176.600 0.123 0.000 1.049 442 K CA 1.117 57.488 56.287 0.140 0.000 0.936 442 K CB -0.167 32.394 32.500 0.102 0.000 0.722 442 K HN 0.206 nan 8.250 nan 0.000 0.446 443 A N 0.618 123.520 122.820 0.137 0.000 1.873 443 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 443 A C 2.181 179.873 177.584 0.180 0.000 1.186 443 A CA 1.561 53.700 52.037 0.171 0.000 0.616 443 A CB -0.635 18.527 19.000 0.269 0.000 0.823 443 A HN 0.149 nan 8.150 nan 0.000 0.442 444 V N 0.198 120.190 119.914 0.130 0.000 2.392 444 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 444 V C 2.494 178.624 176.094 0.060 0.000 1.059 444 V CA 1.897 64.246 62.300 0.082 0.000 1.051 444 V CB -0.879 30.896 31.823 -0.079 0.000 0.658 444 V HN 0.532 nan 8.190 nan 0.000 0.455 445 L N -0.451 120.819 121.223 0.078 0.000 2.109 445 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 445 L C 2.317 179.215 176.870 0.046 0.000 1.086 445 L CA 1.269 56.145 54.840 0.059 0.000 0.760 445 L CB -0.455 41.648 42.059 0.074 0.000 0.910 445 L HN 0.329 nan 8.230 nan 0.000 0.437 446 E N 0.407 120.640 120.200 0.056 0.000 2.512 446 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 446 E C 0.743 177.358 176.600 0.024 0.000 1.083 446 E CA 0.343 56.766 56.400 0.038 0.000 0.873 446 E CB -0.054 29.671 29.700 0.041 0.000 0.897 446 E HN 0.495 nan 8.360 nan 0.000 0.514 447 G N 2.295 111.114 108.800 0.031 0.000 2.370 447 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.295 447 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.295 447 G C 0.623 175.516 174.900 -0.011 0.000 1.045 447 G CA 0.247 45.356 45.100 0.015 0.000 1.199 447 G HN 0.105 nan 8.290 nan 0.000 0.513 448 K N -0.800 119.595 120.400 -0.009 0.000 2.387 448 K HA 0.151 4.471 4.320 -0.000 0.000 0.197 448 K C 0.892 177.298 176.600 -0.324 0.000 1.127 448 K CA 0.643 56.821 56.287 -0.182 0.000 0.950 448 K CB 0.522 32.872 32.500 -0.250 0.000 1.017 448 K HN 0.550 nan 8.250 nan 0.000 0.519 449 Y N 1.349 121.654 120.300 0.009 0.000 2.720 449 Y HA 0.137 4.687 4.550 -0.000 0.000 0.277 449 Y C 0.584 176.530 175.900 0.077 0.000 1.144 449 Y CA -0.463 57.661 58.100 0.040 0.000 1.221 449 Y CB 0.395 38.900 38.460 0.073 0.000 1.163 449 Y HN -0.064 nan 8.280 nan 0.000 0.537 450 D N 0.263 120.728 120.400 0.109 0.000 2.263 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 450 D C 1.739 178.078 176.300 0.066 0.000 0.971 450 D CA 1.145 55.184 54.000 0.065 0.000 0.867 450 D CB -0.097 40.713 40.800 0.017 0.000 0.929 450 D HN 0.469 nan 8.370 nan 0.000 0.492 451 N N 0.542 119.277 118.700 0.057 0.000 2.422 451 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 451 N C 0.364 175.918 175.510 0.074 0.000 1.080 451 N CA 0.087 53.162 53.050 0.043 0.000 0.893 451 N CB 0.131 38.622 38.487 0.007 0.000 0.973 451 N HN 0.057 nan 8.380 nan 0.000 0.456 452 I N 2.428 123.080 120.570 0.137 0.000 2.529 452 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 452 I C -1.885 174.339 176.117 0.178 0.000 1.082 452 I CA -2.435 58.949 61.300 0.139 0.000 1.406 452 I CB 0.072 38.153 38.000 0.135 0.000 1.405 452 I HN -0.135 nan 8.210 nan 0.000 0.548 453 P HA -0.022 nan 4.420 nan 0.000 0.269 453 P C 0.863 178.302 177.300 0.232 0.000 1.205 453 P CA 0.074 63.252 63.100 0.130 0.000 0.780 453 P CB 0.864 32.617 31.700 0.088 0.000 0.858 454 E N 0.926 121.246 120.200 0.201 0.000 2.072 454 E HA -0.247 4.103 4.350 -0.000 0.000 0.190 454 E C 1.638 178.406 176.600 0.279 0.000 0.982 454 E CA 0.651 57.183 56.400 0.221 0.000 0.803 454 E CB -0.240 29.518 29.700 0.097 0.000 0.755 454 E HN 0.522 nan 8.360 nan 0.000 0.453 455 H N 0.009 119.157 119.070 0.130 0.000 2.489 455 H HA -0.061 4.495 4.556 -0.000 0.000 0.295 455 H C 1.650 177.074 175.328 0.159 0.000 1.082 455 H CA 1.289 57.411 56.048 0.122 0.000 1.295 455 H CB 0.175 29.972 29.762 0.058 0.000 1.380 455 H HN 0.260 nan 8.280 nan 0.000 0.548 456 A N 0.226 123.179 122.820 0.222 0.000 1.933 456 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 456 A C 1.966 179.498 177.584 -0.087 0.000 1.175 456 A CA 1.033 53.081 52.037 0.018 0.000 0.628 456 A CB -1.018 17.876 19.000 -0.177 0.000 0.814 456 A HN 0.332 nan 8.150 nan 0.000 0.444 457 F N -2.135 117.816 119.950 0.002 0.000 2.748 457 F HA 0.096 4.623 4.527 -0.000 0.000 0.299 457 F C 0.781 176.674 175.800 0.154 0.000 1.154 457 F CA 0.118 58.131 58.000 0.021 0.000 1.446 457 F CB -0.414 38.551 39.000 -0.058 0.000 1.112 457 F HN 0.314 nan 8.300 nan 0.000 0.584 458 Y N 0.924 121.278 120.300 0.090 0.000 2.336 458 Y HA 0.363 4.912 4.550 -0.000 0.000 0.335 458 Y C 0.620 176.509 175.900 -0.020 0.000 1.046 458 Y CA -1.781 56.313 58.100 -0.010 0.000 1.198 458 Y CB 0.432 38.754 38.460 -0.229 0.000 1.182 458 Y HN 0.125 nan 8.280 nan 0.000 0.502 459 M N 5.125 124.340 119.600 -0.643 0.000 2.399 459 M HA -0.159 4.321 4.480 -0.000 0.000 0.191 459 M C -1.645 174.500 176.300 -0.257 0.000 0.732 459 M CA 1.243 56.195 55.300 -0.581 0.000 0.512 459 M CB -1.401 30.721 32.600 -0.796 0.000 1.191 459 M HN 0.486 nan 8.290 nan 0.000 0.894 460 V N -3.097 116.718 119.914 -0.164 0.000 3.084 460 V HA 1.105 5.225 4.120 -0.000 0.000 0.311 460 V C 0.743 176.769 176.094 -0.114 0.000 1.311 460 V CA -0.292 61.949 62.300 -0.098 0.000 1.062 460 V CB 1.228 33.035 31.823 -0.027 0.000 1.113 460 V HN 0.429 nan 8.190 nan 0.000 0.468 461 G N -0.467 108.286 108.800 -0.078 0.000 3.348 461 G HA2 0.578 4.538 3.960 -0.000 0.000 0.180 461 G HA3 0.578 4.538 3.960 -0.000 0.000 0.180 461 G C 0.560 175.425 174.900 -0.058 0.000 1.915 461 G CA -0.014 45.032 45.100 -0.089 0.000 0.937 461 G HN 1.376 nan 8.290 nan 0.000 0.564 462 G N -0.851 107.942 108.800 -0.012 0.000 2.525 462 G HA2 0.312 4.272 3.960 -0.000 0.000 0.276 462 G HA3 0.312 4.272 3.960 -0.000 0.000 0.276 462 G C 0.925 175.909 174.900 0.140 0.000 1.388 462 G CA 0.178 45.309 45.100 0.052 0.000 1.050 462 G HN 0.441 nan 8.290 nan 0.000 0.520 463 I N -0.051 120.577 120.570 0.097 0.000 2.439 463 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 463 I C 2.728 178.713 176.117 -0.221 0.000 1.139 463 I CA 1.864 63.070 61.300 -0.156 0.000 1.438 463 I CB -0.443 37.407 38.000 -0.251 0.000 1.085 463 I HN 0.781 nan 8.210 nan 0.000 0.427 464 E N -0.952 119.191 120.200 -0.094 0.000 2.268 464 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 464 E C 1.603 178.154 176.600 -0.081 0.000 0.995 464 E CA 1.295 57.653 56.400 -0.071 0.000 0.836 464 E CB -0.570 29.115 29.700 -0.026 0.000 0.763 464 E HN 0.473 nan 8.360 nan 0.000 0.491 465 D N 0.562 120.917 120.400 -0.075 0.000 2.317 465 D HA -0.047 4.593 4.640 -0.000 0.000 0.211 465 D C 1.849 178.081 176.300 -0.113 0.000 0.966 465 D CA 0.370 54.329 54.000 -0.069 0.000 0.876 465 D CB 0.507 41.281 40.800 -0.044 0.000 0.927 465 D HN 0.140 nan 8.370 nan 0.000 0.519 466 V N 0.861 120.652 119.914 -0.205 0.000 2.255 466 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 466 V C 2.786 178.718 176.094 -0.269 0.000 1.038 466 V CA 1.623 63.713 62.300 -0.349 0.000 1.008 466 V CB -0.627 30.752 31.823 -0.740 0.000 0.645 466 V HN 0.179 nan 8.190 nan 0.000 0.449 467 V N -0.596 119.184 119.914 -0.223 0.000 2.688 467 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 467 V C 2.317 178.369 176.094 -0.070 0.000 1.084 467 V CA 1.885 64.125 62.300 -0.100 0.000 1.103 467 V CB -1.533 30.283 31.823 -0.012 0.000 0.688 467 V HN 0.396 nan 8.190 nan 0.000 0.480 468 A N 0.525 123.299 122.820 -0.076 0.000 1.874 468 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 468 A C 2.391 179.949 177.584 -0.044 0.000 1.189 468 A CA 1.638 53.645 52.037 -0.049 0.000 0.615 468 A CB -0.492 18.481 19.000 -0.044 0.000 0.830 468 A HN 0.535 nan 8.150 nan 0.000 0.443 469 K N -0.159 120.208 120.400 -0.055 0.000 2.097 469 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 469 K C 2.103 178.688 176.600 -0.026 0.000 1.050 469 K CA 1.091 57.361 56.287 -0.028 0.000 0.938 469 K CB -0.297 32.194 32.500 -0.016 0.000 0.718 469 K HN 0.343 nan 8.250 nan 0.000 0.442 470 A N 1.481 124.267 122.820 -0.057 0.000 1.908 470 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 470 A C 1.771 179.340 177.584 -0.026 0.000 1.181 470 A CA 1.795 53.806 52.037 -0.044 0.000 0.627 470 A CB -0.452 18.506 19.000 -0.069 0.000 0.818 470 A HN 0.480 nan 8.150 nan 0.000 0.445 471 E N -0.863 119.320 120.200 -0.027 0.000 2.208 471 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 471 E C 1.963 178.553 176.600 -0.017 0.000 0.988 471 E CA 1.034 57.423 56.400 -0.019 0.000 0.828 471 E CB -0.052 29.637 29.700 -0.019 0.000 0.763 471 E HN 0.650 nan 8.360 nan 0.000 0.478 472 K N 0.747 121.137 120.400 -0.016 0.000 2.243 472 K HA 0.018 4.338 4.320 -0.000 0.000 0.201 472 K C 1.497 178.088 176.600 -0.015 0.000 1.051 472 K CA 0.313 56.592 56.287 -0.013 0.000 0.970 472 K CB 0.271 32.766 32.500 -0.009 0.000 0.755 472 K HN 0.080 nan 8.250 nan 0.000 0.465 473 L N 0.296 121.509 121.223 -0.016 0.000 2.627 473 L HA 0.141 4.481 4.340 -0.000 0.000 0.232 473 L C 1.444 178.300 176.870 -0.024 0.000 1.150 473 L CA -0.092 54.732 54.840 -0.026 0.000 0.917 473 L CB 0.366 42.411 42.059 -0.024 0.000 1.104 473 L HN 0.165 nan 8.230 nan 0.000 0.445 474 A N -0.514 122.295 122.820 -0.018 0.000 2.197 474 A HA 0.529 4.849 4.320 -0.000 0.000 0.210 474 A C 1.225 178.800 177.584 -0.015 0.000 1.180 474 A CA 0.450 52.478 52.037 -0.015 0.000 0.846 474 A CB 0.138 19.130 19.000 -0.013 0.000 0.884 474 A HN 0.270 nan 8.150 nan 0.000 0.487 475 A N 0.000 122.810 122.820 -0.016 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 475 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486