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 2vjl_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVQAGPA CTQMMGFLGA NVIKIERRGS GDMTRGWLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGDSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.588 174.700 -0.186 0.000 1.109 2 T CA 0.000 62.062 62.100 -0.064 0.000 1.349 2 T CB 0.000 68.825 68.868 -0.072 0.000 0.612 3 K N 2.738 122.955 120.400 -0.304 0.000 2.138 3 K HA 0.501 4.820 4.320 -0.000 0.000 0.263 3 K C -2.051 174.189 176.600 -0.601 0.000 0.965 3 K CA -2.519 53.318 56.287 -0.749 0.000 0.868 3 K CB 1.518 33.699 32.500 -0.532 0.000 1.083 3 K HN 0.194 nan 8.250 nan 0.000 0.443 4 P HA -0.169 nan 4.420 nan 0.000 0.216 4 P C 0.414 177.549 177.300 -0.275 0.000 1.154 4 P CA 1.396 64.218 63.100 -0.463 0.000 0.865 4 P CB 0.218 31.610 31.700 -0.513 0.000 0.789 5 L N -1.839 119.230 121.223 -0.256 0.000 2.965 5 L HA 0.215 4.555 4.340 -0.000 0.000 0.254 5 L C -0.022 176.780 176.870 -0.113 0.000 1.220 5 L CA -0.480 54.273 54.840 -0.144 0.000 1.023 5 L CB -0.244 41.749 42.059 -0.110 0.000 1.355 5 L HN -0.165 nan 8.230 nan 0.000 0.545 6 D N 1.627 121.947 120.400 -0.132 0.000 2.493 6 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 6 D C 1.319 177.580 176.300 -0.064 0.000 1.142 6 D CA 1.469 55.416 54.000 -0.089 0.000 0.872 6 D CB 1.313 42.058 40.800 -0.092 0.000 1.173 6 D HN 0.366 nan 8.370 nan 0.000 0.467 7 G N 2.193 110.964 108.800 -0.048 0.000 2.176 7 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 7 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 7 G C 0.297 175.174 174.900 -0.039 0.000 0.979 7 G CA -0.398 44.679 45.100 -0.038 0.000 0.641 7 G HN 0.474 nan 8.290 nan 0.000 0.530 8 I N 1.506 122.050 120.570 -0.044 0.000 2.312 8 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 8 I C 0.450 176.544 176.117 -0.039 0.000 1.031 8 I CA -1.047 60.228 61.300 -0.041 0.000 1.293 8 I CB 0.644 38.618 38.000 -0.044 0.000 1.403 8 I HN 0.262 nan 8.210 nan 0.000 0.484 9 N N 5.652 124.331 118.700 -0.035 0.000 2.414 9 N HA 0.345 5.085 4.740 -0.000 0.000 0.256 9 N C -1.059 174.428 175.510 -0.039 0.000 1.029 9 N CA -0.323 52.704 53.050 -0.037 0.000 0.948 9 N CB 0.980 39.447 38.487 -0.032 0.000 1.102 9 N HN 0.315 nan 8.380 nan 0.000 0.496 10 V N 4.611 124.494 119.914 -0.051 0.000 2.334 10 V HA 0.260 4.379 4.120 -0.000 0.000 0.281 10 V C -0.337 175.700 176.094 -0.094 0.000 1.016 10 V CA -0.826 61.439 62.300 -0.057 0.000 0.832 10 V CB 0.982 32.771 31.823 -0.057 0.000 0.999 10 V HN 0.557 nan 8.190 nan 0.000 0.439 11 L N 4.950 126.110 121.223 -0.105 0.000 2.295 11 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 11 L C -0.257 176.415 176.870 -0.330 0.000 1.079 11 L CA 0.283 54.985 54.840 -0.230 0.000 0.830 11 L CB 0.584 42.530 42.059 -0.189 0.000 1.200 11 L HN 0.666 nan 8.230 nan 0.000 0.438 12 D N 3.832 124.006 120.400 -0.375 0.000 2.427 12 D HA 0.194 4.834 4.640 -0.000 0.000 0.226 12 D C 0.156 176.252 176.300 -0.340 0.000 1.076 12 D CA -0.164 53.681 54.000 -0.257 0.000 0.849 12 D CB 0.418 41.129 40.800 -0.149 0.000 1.052 12 D HN 0.409 nan 8.370 nan 0.000 0.515 13 F N 1.039 120.930 119.950 -0.097 0.000 2.765 13 F HA 0.094 4.621 4.527 -0.000 0.000 0.302 13 F C 1.601 177.216 175.800 -0.307 0.000 1.111 13 F CA -0.277 57.646 58.000 -0.129 0.000 1.359 13 F CB -0.022 38.905 39.000 -0.121 0.000 1.097 13 F HN 0.212 nan 8.300 nan 0.000 0.577 14 T N -0.694 113.770 114.554 -0.151 0.000 2.868 14 T HA 0.275 4.625 4.350 -0.000 0.000 0.292 14 T C -0.248 174.321 174.700 -0.219 0.000 1.028 14 T CA -0.460 61.438 62.100 -0.338 0.000 1.059 14 T CB 0.809 69.525 68.868 -0.253 0.000 0.991 14 T HN 0.400 nan 8.240 nan 0.000 0.531 15 H N -0.839 118.175 119.070 -0.093 0.000 2.949 15 H HA 0.623 5.178 4.556 -0.000 0.000 0.356 15 H C 0.408 175.680 175.328 -0.093 0.000 1.212 15 H CA -1.022 54.997 56.048 -0.049 0.000 1.136 15 H CB 0.793 30.553 29.762 -0.002 0.000 1.869 15 H HN 0.575 nan 8.280 nan 0.000 0.556 16 V N -0.730 119.204 119.914 0.034 0.000 0.688 16 V HA -0.467 3.653 4.120 -0.000 0.000 0.092 16 V C 1.699 177.531 176.094 -0.437 0.000 0.827 16 V CA 2.620 64.767 62.300 -0.254 0.000 3.108 16 V CB -1.726 30.055 31.823 -0.071 0.000 0.219 16 V HN 1.019 nan 8.190 nan 0.000 0.146 17 Q N -1.020 118.565 119.800 -0.358 0.000 2.644 17 Q HA 0.389 4.728 4.340 -0.000 0.000 0.220 17 Q C 2.014 177.900 176.000 -0.190 0.000 0.866 17 Q CA 0.966 56.472 55.803 -0.494 0.000 0.915 17 Q CB 0.394 28.841 28.738 -0.484 0.000 1.191 17 Q HN 0.905 nan 8.270 nan 0.000 0.641 18 A N 1.049 123.816 122.820 -0.089 0.000 1.849 18 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 18 A C 2.164 179.725 177.584 -0.039 0.000 1.202 18 A CA 2.101 54.121 52.037 -0.029 0.000 0.629 18 A CB -1.668 17.320 19.000 -0.021 0.000 0.834 18 A HN 0.599 nan 8.150 nan 0.000 0.447 19 G N -0.137 108.606 108.800 -0.095 0.000 2.480 19 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 19 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 19 G C -0.290 174.561 174.900 -0.081 0.000 1.200 19 G CA 1.368 46.399 45.100 -0.116 0.000 0.782 19 G HN 0.509 nan 8.290 nan 0.000 0.554 20 P HA 0.002 nan 4.420 nan 0.000 0.219 20 P C 2.054 179.374 177.300 0.035 0.000 1.146 20 P CA 1.709 64.790 63.100 -0.032 0.000 0.808 20 P CB -0.094 31.588 31.700 -0.029 0.000 0.779 21 A N -0.923 121.971 122.820 0.124 0.000 1.902 21 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 21 A C 2.469 180.055 177.584 0.004 0.000 1.181 21 A CA 1.779 53.904 52.037 0.146 0.000 0.623 21 A CB -1.813 17.337 19.000 0.251 0.000 0.818 21 A HN 0.310 nan 8.150 nan 0.000 0.443 22 C N -0.064 119.238 119.300 0.004 0.000 2.413 22 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 22 C C 3.226 178.185 174.990 -0.052 0.000 1.228 22 C CA 2.490 61.500 59.018 -0.013 0.000 1.731 22 C CB -1.421 26.312 27.740 -0.011 0.000 2.042 22 C HN 0.740 nan 8.230 nan 0.000 0.468 23 T N -1.344 113.169 114.554 -0.069 0.000 2.904 23 T HA -0.200 4.149 4.350 -0.000 0.000 0.267 23 T C 1.889 176.504 174.700 -0.141 0.000 1.059 23 T CA 1.774 63.821 62.100 -0.088 0.000 1.137 23 T CB -0.684 68.135 68.868 -0.082 0.000 0.879 23 T HN 0.815 nan 8.240 nan 0.000 0.467 24 Q N 0.012 119.689 119.800 -0.205 0.000 2.050 24 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 24 Q C 2.339 177.964 176.000 -0.625 0.000 0.980 24 Q CA 1.603 57.163 55.803 -0.406 0.000 0.840 24 Q CB -0.276 28.181 28.738 -0.467 0.000 0.898 24 Q HN 0.468 nan 8.270 nan 0.000 0.424 25 M N -0.021 119.316 119.600 -0.439 0.000 2.213 25 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 25 M C 1.823 178.109 176.300 -0.024 0.000 1.062 25 M CA 1.578 56.730 55.300 -0.247 0.000 1.105 25 M CB -0.073 32.526 32.600 -0.003 0.000 1.385 25 M HN 0.304 nan 8.290 nan 0.000 0.417 26 M N -1.278 118.293 119.600 -0.049 0.000 2.159 26 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 26 M C 2.119 178.421 176.300 0.004 0.000 1.063 26 M CA 1.635 56.926 55.300 -0.015 0.000 1.110 26 M CB -1.091 31.487 32.600 -0.038 0.000 1.374 26 M HN 0.488 nan 8.290 nan 0.000 0.411 27 G N 0.145 108.926 108.800 -0.031 0.000 2.418 27 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 27 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 27 G C 1.161 176.195 174.900 0.223 0.000 1.158 27 G CA 0.509 45.633 45.100 0.040 0.000 0.771 27 G HN 0.272 nan 8.290 nan 0.000 0.545 28 F N 0.937 120.928 119.950 0.068 0.000 2.161 28 F HA 0.070 4.596 4.527 -0.000 0.000 0.300 28 F C 2.326 178.259 175.800 0.221 0.000 1.089 28 F CA 0.188 58.259 58.000 0.119 0.000 1.282 28 F CB -0.687 38.387 39.000 0.123 0.000 1.010 28 F HN 0.061 nan 8.300 nan 0.000 0.485 29 L N -0.777 120.657 121.223 0.351 0.000 2.645 29 L HA 0.261 4.601 4.340 -0.000 0.000 0.234 29 L C 1.527 178.358 176.870 -0.065 0.000 1.165 29 L CA 0.673 55.608 54.840 0.159 0.000 0.944 29 L CB -0.889 41.181 42.059 0.018 0.000 1.149 29 L HN 0.387 nan 8.230 nan 0.000 0.446 30 G N -0.108 108.720 108.800 0.047 0.000 2.176 30 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 30 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 30 G C 0.405 175.289 174.900 -0.027 0.000 0.986 30 G CA -0.078 45.014 45.100 -0.012 0.000 0.643 30 G HN 0.493 nan 8.290 nan 0.000 0.522 31 A N -0.089 122.719 122.820 -0.019 0.000 2.386 31 A HA 0.597 4.916 4.320 -0.000 0.000 0.248 31 A C 0.508 178.076 177.584 -0.027 0.000 1.082 31 A CA 0.481 52.498 52.037 -0.032 0.000 0.789 31 A CB 0.351 19.330 19.000 -0.036 0.000 1.025 31 A HN 0.858 nan 8.150 nan 0.000 0.490 32 N N 1.626 120.304 118.700 -0.038 0.000 2.602 32 N HA 0.320 5.060 4.740 -0.000 0.000 0.238 32 N C -1.159 174.317 175.510 -0.057 0.000 1.084 32 N CA -0.104 52.919 53.050 -0.045 0.000 0.952 32 N CB 0.264 38.725 38.487 -0.043 0.000 1.244 32 N HN 0.237 nan 8.380 nan 0.000 0.512 33 V N 5.250 125.127 119.914 -0.062 0.000 2.348 33 V HA 0.349 4.468 4.120 -0.000 0.000 0.270 33 V C 0.536 176.578 176.094 -0.087 0.000 1.037 33 V CA -0.605 61.650 62.300 -0.074 0.000 0.872 33 V CB 0.536 32.317 31.823 -0.070 0.000 1.002 33 V HN 0.484 nan 8.190 nan 0.000 0.464 34 I N 5.137 125.647 120.570 -0.101 0.000 2.306 34 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 34 I C 0.384 176.425 176.117 -0.128 0.000 1.036 34 I CA -0.356 60.882 61.300 -0.104 0.000 1.221 34 I CB 1.017 38.953 38.000 -0.106 0.000 1.385 34 I HN 0.519 nan 8.210 nan 0.000 0.472 35 K N 7.176 127.531 120.400 -0.075 0.000 2.284 35 K HA 0.326 4.646 4.320 -0.000 0.000 0.287 35 K C -0.411 176.160 176.600 -0.050 0.000 1.081 35 K CA -0.618 55.634 56.287 -0.059 0.000 0.910 35 K CB 0.607 33.121 32.500 0.023 0.000 1.088 35 K HN 0.450 nan 8.250 nan 0.000 0.478 36 I N 4.461 124.958 120.570 -0.122 0.000 2.396 36 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 36 I C 0.303 176.457 176.117 0.062 0.000 1.056 36 I CA 0.250 61.512 61.300 -0.063 0.000 1.365 36 I CB 0.812 38.714 38.000 -0.164 0.000 1.407 36 I HN 0.690 nan 8.210 nan 0.000 0.509 37 E N 5.073 125.321 120.200 0.080 0.000 2.312 37 E HA 0.400 4.750 4.350 -0.000 0.000 0.267 37 E C -0.458 176.199 176.600 0.095 0.000 0.894 37 E CA -1.065 55.399 56.400 0.105 0.000 0.773 37 E CB 2.819 32.571 29.700 0.087 0.000 1.241 37 E HN 0.378 nan 8.360 nan 0.000 0.432 38 R N 1.974 122.534 120.500 0.100 0.000 2.442 38 R HA 0.122 4.462 4.340 -0.000 0.000 0.291 38 R C -0.198 176.129 176.300 0.044 0.000 1.069 38 R CA -0.168 55.978 56.100 0.076 0.000 1.022 38 R CB 0.491 30.836 30.300 0.075 0.000 0.976 38 R HN 0.418 nan 8.270 nan 0.000 0.443 39 R N 2.083 122.604 120.500 0.034 0.000 2.504 39 R HA -0.063 4.277 4.340 -0.000 0.000 0.291 39 R C 1.067 177.376 176.300 0.016 0.000 0.974 39 R CA 1.340 57.452 56.100 0.021 0.000 1.077 39 R CB 0.244 30.553 30.300 0.016 0.000 0.926 39 R HN 1.054 nan 8.270 nan 0.000 0.407 40 G N 1.010 109.817 108.800 0.011 0.000 2.225 40 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 40 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 40 G C 0.640 175.535 174.900 -0.008 0.000 0.988 40 G CA 0.692 45.794 45.100 0.003 0.000 0.625 40 G HN 0.700 nan 8.290 nan 0.000 0.527 41 S N -1.547 114.149 115.700 -0.007 0.000 3.448 41 S HA 0.569 5.039 4.470 -0.000 0.000 0.254 41 S C 2.088 176.673 174.600 -0.026 0.000 1.102 41 S CA 1.434 59.623 58.200 -0.019 0.000 0.797 41 S CB 0.650 63.843 63.200 -0.011 0.000 0.891 41 S HN 2.482 nan 8.310 nan 0.000 0.474 42 G N 2.308 111.110 108.800 0.002 0.000 2.598 42 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.244 42 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.244 42 G C -0.772 174.147 174.900 0.032 0.000 1.302 42 G CA 0.048 45.159 45.100 0.018 0.000 0.903 42 G HN 0.684 nan 8.290 nan 0.000 0.575 43 D N 0.370 120.807 120.400 0.060 0.000 2.531 43 D HA 0.117 4.757 4.640 -0.000 0.000 0.239 43 D C 1.804 178.144 176.300 0.066 0.000 1.144 43 D CA 0.550 54.617 54.000 0.112 0.000 0.869 43 D CB 0.627 41.566 40.800 0.230 0.000 1.160 43 D HN 0.540 nan 8.370 nan 0.000 0.484 44 M N 3.174 122.819 119.600 0.074 0.000 2.195 44 M HA -0.261 4.219 4.480 -0.000 0.000 0.260 44 M C 1.746 178.161 176.300 0.191 0.000 1.066 44 M CA 2.073 57.424 55.300 0.085 0.000 1.089 44 M CB -0.106 32.539 32.600 0.077 0.000 1.377 44 M HN 0.559 nan 8.290 nan 0.000 0.411 45 T N -1.757 112.888 114.554 0.152 0.000 2.881 45 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 45 T C 1.664 176.483 174.700 0.199 0.000 1.068 45 T CA 1.375 63.533 62.100 0.098 0.000 1.131 45 T CB -0.609 68.098 68.868 -0.269 0.000 0.871 45 T HN 0.538 nan 8.240 nan 0.000 0.479 46 R N 1.131 121.670 120.500 0.065 0.000 2.103 46 R HA -0.023 4.316 4.340 -0.000 0.000 0.242 46 R C 2.569 178.882 176.300 0.022 0.000 1.142 46 R CA 1.530 57.563 56.100 -0.111 0.000 0.960 46 R CB -0.614 29.474 30.300 -0.354 0.000 0.858 46 R HN 0.570 nan 8.270 nan 0.000 0.439 47 G N -1.203 107.637 108.800 0.067 0.000 3.337 47 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.246 47 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.246 47 G C -0.667 174.330 174.900 0.162 0.000 1.131 47 G CA -0.588 44.558 45.100 0.077 0.000 0.773 47 G HN 0.161 nan 8.290 nan 0.000 0.544 48 W N 1.530 122.853 121.300 0.037 0.000 2.357 48 W HA 0.497 5.157 4.660 -0.000 0.000 0.317 48 W C 0.123 176.715 176.519 0.121 0.000 1.101 48 W CA -1.341 56.052 57.345 0.080 0.000 1.380 48 W CB -0.432 29.092 29.460 0.106 0.000 1.266 48 W HN 0.031 nan 8.180 nan 0.000 0.419 49 L N 4.893 126.371 121.223 0.425 0.000 3.713 49 L HA -0.326 4.014 4.340 -0.000 0.000 0.499 49 L C 0.832 177.825 176.870 0.206 0.000 1.281 49 L CA 0.527 55.544 54.840 0.295 0.000 0.796 49 L CB -1.251 41.020 42.059 0.354 0.000 1.535 49 L HN 0.469 nan 8.230 nan 0.000 0.851 50 Q N 0.986 120.882 119.800 0.161 0.000 2.361 50 Q HA 0.011 4.350 4.340 -0.000 0.000 0.276 50 Q C 1.362 177.416 176.000 0.090 0.000 1.022 50 Q CA 0.544 56.417 55.803 0.117 0.000 0.898 50 Q CB 0.604 29.395 28.738 0.088 0.000 1.246 50 Q HN 0.443 nan 8.270 nan 0.000 0.410 51 D N 1.471 121.918 120.400 0.079 0.000 2.348 51 D HA -0.017 4.623 4.640 -0.000 0.000 0.211 51 D C -0.025 176.307 176.300 0.053 0.000 0.998 51 D CA 0.475 54.514 54.000 0.063 0.000 0.873 51 D CB 0.493 41.330 40.800 0.060 0.000 0.925 51 D HN 0.172 nan 8.370 nan 0.000 0.524 52 K N 1.049 121.481 120.400 0.053 0.000 2.535 52 K HA 0.383 4.703 4.320 -0.000 0.000 0.250 52 K C -2.931 173.693 176.600 0.040 0.000 0.948 52 K CA -1.963 54.350 56.287 0.044 0.000 0.796 52 K CB 2.583 35.110 32.500 0.045 0.000 1.216 52 K HN -0.302 nan 8.250 nan 0.000 0.432 53 P HA 0.014 nan 4.420 nan 0.000 0.264 53 P C -0.788 176.525 177.300 0.021 0.000 1.183 53 P CA 0.373 63.488 63.100 0.025 0.000 0.763 53 P CB 0.356 32.068 31.700 0.020 0.000 0.807 54 N N -0.915 117.795 118.700 0.016 0.000 2.741 54 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 54 N C -0.777 174.739 175.510 0.010 0.000 1.112 54 N CA 0.729 53.784 53.050 0.008 0.000 0.750 54 N CB -1.446 37.045 38.487 0.006 0.000 1.119 54 N HN 0.182 nan 8.380 nan 0.000 0.561 55 V N 0.977 120.903 119.914 0.021 0.000 2.540 55 V HA 0.210 4.330 4.120 -0.000 0.000 0.302 55 V C 0.206 176.320 176.094 0.034 0.000 1.035 55 V CA -0.970 61.347 62.300 0.029 0.000 0.873 55 V CB 2.222 34.072 31.823 0.044 0.000 0.992 55 V HN -0.002 nan 8.190 nan 0.000 0.428 56 D N 3.037 123.450 120.400 0.022 0.000 2.533 56 D HA 0.039 4.678 4.640 -0.000 0.000 0.236 56 D C 0.741 177.112 176.300 0.119 0.000 1.137 56 D CA 0.432 54.445 54.000 0.023 0.000 0.867 56 D CB 0.959 41.758 40.800 -0.001 0.000 1.170 56 D HN 0.733 nan 8.370 nan 0.000 0.474 57 S N 1.803 117.595 115.700 0.154 0.000 2.589 57 S HA 0.067 4.537 4.470 -0.000 0.000 0.265 57 S C 1.581 176.285 174.600 0.173 0.000 1.342 57 S CA -0.659 57.646 58.200 0.174 0.000 1.005 57 S CB 0.720 64.057 63.200 0.228 0.000 0.909 57 S HN 0.448 nan 8.310 nan 0.000 0.555 58 L N 0.471 121.758 121.223 0.105 0.000 2.191 58 L HA -0.062 4.277 4.340 -0.000 0.000 0.212 58 L C 2.280 179.228 176.870 0.130 0.000 1.103 58 L CA 1.383 56.239 54.840 0.026 0.000 0.769 58 L CB -0.602 41.458 42.059 0.001 0.000 0.908 58 L HN 0.839 nan 8.230 nan 0.000 0.438 59 Y N -0.582 119.744 120.300 0.043 0.000 2.145 59 Y HA -0.380 4.170 4.550 -0.000 0.000 0.286 59 Y C 2.561 178.545 175.900 0.140 0.000 1.145 59 Y CA 1.435 59.555 58.100 0.033 0.000 1.148 59 Y CB -0.040 38.307 38.460 -0.189 0.000 0.981 59 Y HN 0.164 nan 8.280 nan 0.000 0.507 60 F N 1.018 121.069 119.950 0.167 0.000 2.084 60 F HA -0.238 4.289 4.527 -0.000 0.000 0.296 60 F C 2.685 178.551 175.800 0.110 0.000 1.111 60 F CA 2.180 60.233 58.000 0.087 0.000 1.224 60 F CB -0.736 38.294 39.000 0.049 0.000 0.991 60 F HN 0.048 nan 8.300 nan 0.000 0.471 61 T N -1.503 113.046 114.554 -0.008 0.000 2.915 61 T HA -0.181 4.168 4.350 -0.000 0.000 0.269 61 T C 1.791 176.382 174.700 -0.180 0.000 1.071 61 T CA 1.529 63.519 62.100 -0.184 0.000 1.132 61 T CB -0.551 68.156 68.868 -0.268 0.000 0.878 61 T HN 0.404 nan 8.240 nan 0.000 0.479 62 M N -0.536 118.995 119.600 -0.116 0.000 2.595 62 M HA 0.318 4.798 4.480 -0.000 0.000 0.248 62 M C 0.552 176.644 176.300 -0.347 0.000 1.119 62 M CA 0.768 55.991 55.300 -0.129 0.000 1.079 62 M CB 0.034 32.550 32.600 -0.141 0.000 1.472 62 M HN 0.219 nan 8.290 nan 0.000 0.501 63 F N -0.713 119.157 119.950 -0.132 0.000 2.706 63 F HA 0.237 4.763 4.527 -0.000 0.000 0.313 63 F C 0.962 176.597 175.800 -0.275 0.000 1.096 63 F CA -0.043 57.857 58.000 -0.166 0.000 1.219 63 F CB 0.423 39.356 39.000 -0.112 0.000 1.051 63 F HN 0.096 nan 8.300 nan 0.000 0.568 64 N N -0.825 117.719 118.700 -0.261 0.000 2.307 64 N HA 0.141 4.880 4.740 -0.000 0.000 0.248 64 N C -0.612 174.782 175.510 -0.194 0.000 1.322 64 N CA 0.098 52.940 53.050 -0.347 0.000 0.861 64 N CB 0.520 38.517 38.487 -0.817 0.000 1.303 64 N HN 0.022 nan 8.380 nan 0.000 0.498 65 C N 1.195 120.458 119.300 -0.063 0.000 2.656 65 C HA 0.126 4.586 4.460 -0.000 0.000 0.391 65 C C 1.245 176.301 174.990 0.111 0.000 1.300 65 C CA 0.067 59.145 59.018 0.100 0.000 2.302 65 C CB -0.515 27.389 27.740 0.273 0.000 2.655 65 C HN 0.568 nan 8.230 nan 0.000 0.656 66 N N 0.691 119.479 118.700 0.147 0.000 2.738 66 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 66 N C -1.042 174.480 175.510 0.021 0.000 1.047 66 N CA 1.163 54.282 53.050 0.116 0.000 0.707 66 N CB -0.935 37.700 38.487 0.246 0.000 0.937 66 N HN 0.714 nan 8.380 nan 0.000 0.545 67 K N -0.074 120.323 120.400 -0.005 0.000 2.508 67 K HA 0.518 4.838 4.320 -0.000 0.000 0.260 67 K C -0.351 176.202 176.600 -0.078 0.000 0.949 67 K CA -0.799 55.462 56.287 -0.043 0.000 0.834 67 K CB 2.431 34.912 32.500 -0.032 0.000 1.365 67 K HN 0.001 nan 8.250 nan 0.000 0.437 68 R N 0.402 120.815 120.500 -0.145 0.000 2.664 68 R HA 0.408 4.748 4.340 -0.000 0.000 0.286 68 R C -0.696 175.632 176.300 0.048 0.000 0.967 68 R CA -0.750 55.200 56.100 -0.249 0.000 0.933 68 R CB 2.061 32.059 30.300 -0.505 0.000 1.146 68 R HN 0.474 nan 8.270 nan 0.000 0.468 69 S N 2.455 118.326 115.700 0.284 0.000 2.454 69 S HA 0.521 4.991 4.470 -0.000 0.000 0.306 69 S C -0.687 174.012 174.600 0.164 0.000 1.100 69 S CA -0.759 57.563 58.200 0.203 0.000 1.087 69 S CB 0.702 64.035 63.200 0.221 0.000 1.019 69 S HN 0.545 nan 8.310 nan 0.000 0.480 70 I N 3.575 124.196 120.570 0.085 0.000 2.465 70 I HA 0.515 4.685 4.170 -0.000 0.000 0.291 70 I C -0.612 175.528 176.117 0.038 0.000 1.014 70 I CA -0.608 60.726 61.300 0.056 0.000 1.093 70 I CB 1.680 39.696 38.000 0.028 0.000 1.267 70 I HN 0.654 nan 8.210 nan 0.000 0.431 71 E N 6.490 126.706 120.200 0.027 0.000 2.283 71 E HA 0.494 4.843 4.350 -0.000 0.000 0.278 71 E C -1.372 175.229 176.600 0.001 0.000 1.027 71 E CA -0.517 55.895 56.400 0.019 0.000 0.843 71 E CB 1.980 31.688 29.700 0.013 0.000 1.062 71 E HN 0.365 nan 8.360 nan 0.000 0.401 72 L N 2.856 124.092 121.223 0.021 0.000 2.588 72 L HA 0.243 4.583 4.340 -0.000 0.000 0.263 72 L C -1.725 175.171 176.870 0.043 0.000 0.935 72 L CA -0.509 54.344 54.840 0.023 0.000 0.891 72 L CB 2.067 44.147 42.059 0.034 0.000 1.318 72 L HN 0.342 nan 8.230 nan 0.000 0.409 73 D N 4.962 125.381 120.400 0.031 0.000 2.441 73 D HA 0.289 4.929 4.640 -0.000 0.000 0.221 73 D C 0.824 177.157 176.300 0.054 0.000 1.156 73 D CA -0.089 53.934 54.000 0.039 0.000 0.896 73 D CB 0.895 41.710 40.800 0.025 0.000 1.028 73 D HN 0.614 nan 8.370 nan 0.000 0.509 74 M N 1.901 121.542 119.600 0.069 0.000 2.619 74 M HA -0.001 4.479 4.480 -0.000 0.000 0.251 74 M C 0.932 177.282 176.300 0.083 0.000 1.106 74 M CA 0.661 56.014 55.300 0.088 0.000 1.086 74 M CB 0.229 32.884 32.600 0.092 0.000 1.465 74 M HN 0.046 nan 8.290 nan 0.000 0.506 75 K N 1.590 122.022 120.400 0.053 0.000 2.994 75 K HA 0.098 4.418 4.320 -0.000 0.000 0.231 75 K C -0.041 176.582 176.600 0.039 0.000 1.174 75 K CA -0.027 56.284 56.287 0.041 0.000 1.221 75 K CB -0.142 32.369 32.500 0.018 0.000 1.166 75 K HN 0.227 nan 8.250 nan 0.000 0.453 76 T N -3.595 110.991 114.554 0.053 0.000 2.916 76 T HA 0.280 4.630 4.350 -0.000 0.000 0.305 76 T C -2.320 172.416 174.700 0.059 0.000 1.119 76 T CA -1.917 60.210 62.100 0.045 0.000 1.008 76 T CB 2.085 70.975 68.868 0.036 0.000 1.129 76 T HN -0.219 nan 8.240 nan 0.000 0.480 77 P HA -0.072 nan 4.420 nan 0.000 0.215 77 P C 0.925 178.264 177.300 0.064 0.000 1.153 77 P CA 1.282 64.412 63.100 0.051 0.000 0.853 77 P CB 0.219 31.938 31.700 0.032 0.000 0.788 78 E N -0.228 120.003 120.200 0.052 0.000 2.208 78 E HA -0.029 4.320 4.350 -0.000 0.000 0.193 78 E C 2.330 178.968 176.600 0.063 0.000 0.988 78 E CA 1.288 57.719 56.400 0.051 0.000 0.828 78 E CB -1.204 28.517 29.700 0.035 0.000 0.763 78 E HN 0.295 nan 8.360 nan 0.000 0.478 79 G N 1.074 109.916 108.800 0.069 0.000 2.394 79 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.215 79 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.215 79 G C 1.362 176.339 174.900 0.129 0.000 1.165 79 G CA 0.550 45.698 45.100 0.079 0.000 0.784 79 G HN 0.153 nan 8.290 nan 0.000 0.535 80 K N 0.436 120.943 120.400 0.177 0.000 2.097 80 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 80 K C 2.404 179.183 176.600 0.298 0.000 1.049 80 K CA 1.304 57.781 56.287 0.316 0.000 0.933 80 K CB -0.114 32.563 32.500 0.294 0.000 0.717 80 K HN 0.381 nan 8.250 nan 0.000 0.442 81 E N 0.789 121.096 120.200 0.180 0.000 2.110 81 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 81 E C 2.035 178.708 176.600 0.123 0.000 0.988 81 E CA 0.862 57.347 56.400 0.142 0.000 0.804 81 E CB -0.055 29.700 29.700 0.092 0.000 0.745 81 E HN 0.236 nan 8.360 nan 0.000 0.458 82 L N 0.375 121.658 121.223 0.100 0.000 2.046 82 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 82 L C 2.520 179.433 176.870 0.072 0.000 1.077 82 L CA 0.522 55.403 54.840 0.069 0.000 0.747 82 L CB -0.281 41.805 42.059 0.045 0.000 0.896 82 L HN 0.181 nan 8.230 nan 0.000 0.432 83 L N -0.024 121.255 121.223 0.093 0.000 2.083 83 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 83 L C 2.427 179.351 176.870 0.090 0.000 1.083 83 L CA 1.737 56.603 54.840 0.043 0.000 0.752 83 L CB -0.385 41.629 42.059 -0.074 0.000 0.899 83 L HN 0.213 nan 8.230 nan 0.000 0.433 84 E N -1.185 119.146 120.200 0.217 0.000 2.077 84 E HA -0.262 4.087 4.350 -0.000 0.000 0.193 84 E C 2.138 178.796 176.600 0.097 0.000 0.989 84 E CA 1.318 57.846 56.400 0.213 0.000 0.800 84 E CB -0.127 29.710 29.700 0.227 0.000 0.746 84 E HN 0.638 nan 8.360 nan 0.000 0.452 85 Q N -0.086 119.760 119.800 0.076 0.000 2.124 85 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 85 Q C 2.147 178.163 176.000 0.027 0.000 0.977 85 Q CA 1.215 57.043 55.803 0.043 0.000 0.850 85 Q CB -0.047 28.713 28.738 0.038 0.000 0.901 85 Q HN 0.358 nan 8.270 nan 0.000 0.429 86 M N -0.150 119.464 119.600 0.024 0.000 2.156 86 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 86 M C 2.076 178.379 176.300 0.005 0.000 1.067 86 M CA 1.186 56.486 55.300 -0.000 0.000 1.131 86 M CB -0.121 32.464 32.600 -0.025 0.000 1.368 86 M HN 0.177 nan 8.290 nan 0.000 0.416 87 I N 0.319 120.906 120.570 0.029 0.000 2.361 87 I HA -0.285 3.884 4.170 -0.000 0.000 0.251 87 I C 2.178 178.312 176.117 0.027 0.000 1.133 87 I CA 1.349 62.677 61.300 0.046 0.000 1.413 87 I CB -0.328 37.719 38.000 0.079 0.000 1.073 87 I HN 0.270 nan 8.210 nan 0.000 0.424 88 K N 0.549 120.958 120.400 0.016 0.000 2.211 88 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 88 K C 1.905 178.504 176.600 -0.001 0.000 1.050 88 K CA 0.959 57.247 56.287 0.001 0.000 0.945 88 K CB 0.032 32.532 32.500 -0.000 0.000 0.732 88 K HN 0.248 nan 8.250 nan 0.000 0.451 89 K N 0.137 120.537 120.400 0.000 0.000 2.379 89 K HA 0.136 4.456 4.320 -0.000 0.000 0.194 89 K C 0.288 176.883 176.600 -0.009 0.000 1.031 89 K CA -0.151 56.133 56.287 -0.007 0.000 1.037 89 K CB 0.638 33.132 32.500 -0.009 0.000 0.824 89 K HN 0.032 nan 8.250 nan 0.000 0.516 90 A N 1.514 124.332 122.820 -0.002 0.000 2.388 90 A HA 0.057 4.377 4.320 -0.000 0.000 0.257 90 A C 0.230 177.818 177.584 0.007 0.000 1.095 90 A CA -0.222 51.815 52.037 -0.001 0.000 0.791 90 A CB 0.370 19.378 19.000 0.014 0.000 1.029 90 A HN 0.093 nan 8.150 nan 0.000 0.489 91 D N 0.271 120.670 120.400 -0.001 0.000 2.262 91 D HA 0.121 4.760 4.640 -0.000 0.000 0.212 91 D C -0.096 176.216 176.300 0.020 0.000 0.964 91 D CA 1.355 55.355 54.000 0.000 0.000 0.875 91 D CB 0.442 41.230 40.800 -0.019 0.000 0.996 91 D HN 0.268 nan 8.370 nan 0.000 0.497 92 V N 1.622 121.547 119.914 0.018 0.000 2.686 92 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 92 V C -0.393 175.728 176.094 0.046 0.000 1.065 92 V CA -0.573 61.745 62.300 0.030 0.000 0.894 92 V CB 2.254 34.080 31.823 0.005 0.000 1.004 92 V HN -0.066 nan 8.190 nan 0.000 0.424 93 M N 4.522 124.179 119.600 0.095 0.000 2.205 93 M HA 0.663 5.142 4.480 -0.000 0.000 0.344 93 M C -1.040 175.347 176.300 0.146 0.000 1.085 93 M CA -0.657 54.744 55.300 0.168 0.000 1.001 93 M CB 1.947 34.718 32.600 0.284 0.000 1.626 93 M HN 0.438 nan 8.290 nan 0.000 0.442 94 V N 2.584 122.588 119.914 0.151 0.000 2.540 94 V HA 0.639 4.758 4.120 -0.000 0.000 0.302 94 V C -0.729 175.430 176.094 0.110 0.000 1.035 94 V CA -0.660 61.686 62.300 0.076 0.000 0.873 94 V CB 1.711 33.532 31.823 -0.004 0.000 0.992 94 V HN 0.911 nan 8.190 nan 0.000 0.428 95 E N 2.671 122.862 120.200 -0.014 0.000 2.356 95 E HA 0.571 4.921 4.350 -0.000 0.000 0.275 95 E C -0.867 175.579 176.600 -0.257 0.000 0.904 95 E CA -0.897 55.391 56.400 -0.187 0.000 0.757 95 E CB 1.698 31.310 29.700 -0.146 0.000 1.232 95 E HN 0.534 nan 8.360 nan 0.000 0.442 96 N N 2.432 120.848 118.700 -0.474 0.000 2.610 96 N HA 0.211 4.951 4.740 -0.000 0.000 0.307 96 N C -1.283 174.114 175.510 -0.187 0.000 1.813 96 N CA -0.526 52.334 53.050 -0.316 0.000 0.901 96 N CB -0.445 37.859 38.487 -0.304 0.000 1.354 96 N HN 0.369 nan 8.380 nan 0.000 0.491 97 F N 0.533 120.522 119.950 0.065 0.000 2.373 97 F HA 0.502 5.029 4.527 -0.000 0.000 0.302 97 F C 1.967 177.842 175.800 0.124 0.000 1.247 97 F CA -0.465 57.641 58.000 0.177 0.000 1.169 97 F CB 0.467 39.523 39.000 0.094 0.000 1.309 97 F HN 0.108 nan 8.300 nan 0.000 0.537 98 G N 0.164 109.178 108.800 0.356 0.000 2.606 98 G HA2 0.357 4.317 3.960 -0.000 0.000 0.252 98 G HA3 0.357 4.317 3.960 -0.000 0.000 0.252 98 G C -2.723 172.279 174.900 0.170 0.000 1.206 98 G CA -1.172 44.051 45.100 0.205 0.000 0.861 98 G HN 0.259 nan 8.290 nan 0.000 0.561 99 P HA 0.199 nan 4.420 nan 0.000 0.265 99 P C 0.924 178.284 177.300 0.100 0.000 1.193 99 P CA 1.377 64.566 63.100 0.149 0.000 0.765 99 P CB 0.870 32.724 31.700 0.258 0.000 0.823 100 G N 2.374 111.228 108.800 0.089 0.000 2.162 100 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 100 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 100 G C 1.148 176.060 174.900 0.020 0.000 0.976 100 G CA 0.499 45.632 45.100 0.054 0.000 0.655 100 G HN 0.685 nan 8.290 nan 0.000 0.533 101 A N -0.088 122.739 122.820 0.011 0.000 1.877 101 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 101 A C 2.429 179.923 177.584 -0.151 0.000 1.186 101 A CA 1.827 53.798 52.037 -0.110 0.000 0.620 101 A CB -0.349 18.525 19.000 -0.210 0.000 0.822 101 A HN 0.799 nan 8.150 nan 0.000 0.443 102 L N -0.513 120.664 121.223 -0.077 0.000 2.201 102 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 102 L C 1.937 178.861 176.870 0.089 0.000 1.105 102 L CA 1.024 55.849 54.840 -0.025 0.000 0.775 102 L CB -0.612 41.449 42.059 0.003 0.000 0.913 102 L HN 0.342 nan 8.230 nan 0.000 0.440 103 D N 0.358 120.802 120.400 0.073 0.000 2.097 103 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 103 D C 2.235 178.554 176.300 0.032 0.000 0.989 103 D CA 1.213 55.255 54.000 0.071 0.000 0.827 103 D CB -0.146 40.689 40.800 0.058 0.000 0.966 103 D HN 0.252 nan 8.370 nan 0.000 0.456 104 R N -0.244 120.258 120.500 0.003 0.000 2.237 104 R HA 0.083 4.423 4.340 -0.000 0.000 0.219 104 R C 1.918 178.214 176.300 -0.007 0.000 1.080 104 R CA 0.503 56.592 56.100 -0.017 0.000 0.995 104 R CB -0.081 30.197 30.300 -0.038 0.000 0.875 104 R HN 0.224 nan 8.270 nan 0.000 0.462 105 M N -0.805 118.812 119.600 0.027 0.000 2.494 105 M HA 0.133 4.612 4.480 -0.000 0.000 0.232 105 M C 0.797 177.195 176.300 0.162 0.000 1.137 105 M CA 0.444 55.806 55.300 0.102 0.000 1.012 105 M CB 1.095 33.767 32.600 0.119 0.000 1.567 105 M HN 0.434 nan 8.290 nan 0.000 0.486 106 G N 0.426 109.250 108.800 0.040 0.000 2.195 106 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 106 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 106 G C -0.027 174.747 174.900 -0.211 0.000 0.984 106 G CA -0.476 44.531 45.100 -0.154 0.000 0.633 106 G HN 0.423 nan 8.290 nan 0.000 0.525 107 F N 3.374 123.391 119.950 0.112 0.000 2.395 107 F HA 0.451 4.978 4.527 -0.000 0.000 0.347 107 F C 1.441 177.345 175.800 0.174 0.000 1.157 107 F CA 0.076 58.208 58.000 0.220 0.000 1.272 107 F CB 0.330 39.422 39.000 0.152 0.000 1.607 107 F HN 0.199 nan 8.300 nan 0.000 0.571 108 T N -2.535 112.179 114.554 0.267 0.000 2.766 108 T HA -0.090 4.260 4.350 -0.000 0.000 0.295 108 T C 1.263 176.165 174.700 0.337 0.000 1.024 108 T CA -0.679 61.570 62.100 0.249 0.000 1.018 108 T CB 0.942 69.905 68.868 0.159 0.000 1.002 108 T HN 0.695 nan 8.240 nan 0.000 0.532 109 W N 1.936 123.305 121.300 0.114 0.000 2.355 109 W HA -0.207 4.453 4.660 -0.000 0.000 0.309 109 W C 2.044 178.619 176.519 0.094 0.000 1.206 109 W CA 1.562 58.964 57.345 0.096 0.000 1.284 109 W CB -0.039 29.462 29.460 0.069 0.000 1.145 109 W HN 0.941 nan 8.180 nan 0.000 0.502 110 E N -0.072 120.098 120.200 -0.050 0.000 2.118 110 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 110 E C 1.871 178.411 176.600 -0.101 0.000 0.992 110 E CA 1.524 57.812 56.400 -0.187 0.000 0.804 110 E CB -1.704 27.972 29.700 -0.040 0.000 0.741 110 E HN 0.462 nan 8.360 nan 0.000 0.458 111 Y N 1.569 121.802 120.300 -0.113 0.000 2.286 111 Y HA 0.044 4.593 4.550 -0.000 0.000 0.293 111 Y C 2.280 178.142 175.900 -0.063 0.000 1.124 111 Y CA 0.542 58.584 58.100 -0.096 0.000 1.178 111 Y CB -0.258 38.139 38.460 -0.105 0.000 1.010 111 Y HN -0.105 nan 8.280 nan 0.000 0.536 112 I N 0.083 120.610 120.570 -0.072 0.000 2.163 112 I HA -0.385 3.785 4.170 -0.000 0.000 0.243 112 I C 2.401 178.363 176.117 -0.258 0.000 1.085 112 I CA 1.693 62.943 61.300 -0.083 0.000 1.347 112 I CB -0.491 37.626 38.000 0.196 0.000 1.044 112 I HN 0.264 nan 8.210 nan 0.000 0.408 113 Q N 0.170 119.666 119.800 -0.506 0.000 2.135 113 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 113 Q C 2.187 178.007 176.000 -0.299 0.000 0.981 113 Q CA 1.721 57.200 55.803 -0.540 0.000 0.856 113 Q CB -0.210 28.059 28.738 -0.780 0.000 0.902 113 Q HN 0.516 nan 8.270 nan 0.000 0.425 114 E N 0.554 120.601 120.200 -0.255 0.000 2.077 114 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 114 E C 1.973 178.461 176.600 -0.187 0.000 0.989 114 E CA 0.677 56.975 56.400 -0.170 0.000 0.800 114 E CB 0.053 29.706 29.700 -0.078 0.000 0.746 114 E HN 0.329 nan 8.360 nan 0.000 0.452 115 L N 0.101 121.155 121.223 -0.282 0.000 2.072 115 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 115 L C 1.168 177.965 176.870 -0.122 0.000 1.079 115 L CA 0.624 55.332 54.840 -0.219 0.000 0.752 115 L CB -0.003 41.895 42.059 -0.268 0.000 0.906 115 L HN 0.049 nan 8.230 nan 0.000 0.436 116 N N -1.259 117.369 118.700 -0.118 0.000 2.621 116 N HA 0.173 4.913 4.740 -0.000 0.000 0.271 116 N C -2.313 173.147 175.510 -0.083 0.000 1.181 116 N CA -1.408 51.600 53.050 -0.070 0.000 0.805 116 N CB 1.481 39.952 38.487 -0.026 0.000 1.351 116 N HN -0.264 nan 8.380 nan 0.000 0.539 117 P HA 0.046 nan 4.420 nan 0.000 0.228 117 P C 0.691 177.977 177.300 -0.023 0.000 1.151 117 P CA 0.901 63.952 63.100 -0.083 0.000 0.770 117 P CB 0.401 32.061 31.700 -0.067 0.000 0.786 118 R N -1.447 119.050 120.500 -0.005 0.000 2.290 118 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 118 R C 0.526 176.859 176.300 0.054 0.000 0.913 118 R CA -0.131 55.979 56.100 0.016 0.000 1.040 118 R CB 0.026 30.320 30.300 -0.010 0.000 0.992 118 R HN 0.073 nan 8.270 nan 0.000 0.500 119 V N 1.967 121.930 119.914 0.080 0.000 2.686 119 V HA 0.179 4.299 4.120 -0.000 0.000 0.295 119 V C -0.069 176.163 176.094 0.231 0.000 1.055 119 V CA -0.132 62.243 62.300 0.126 0.000 1.050 119 V CB 0.780 32.678 31.823 0.126 0.000 0.984 119 V HN 0.062 nan 8.190 nan 0.000 0.482 120 I N 6.788 127.452 120.570 0.157 0.000 2.353 120 I HA 0.328 4.498 4.170 -0.000 0.000 0.293 120 I C -0.550 175.621 176.117 0.089 0.000 0.992 120 I CA -0.524 60.846 61.300 0.117 0.000 1.268 120 I CB 1.577 39.604 38.000 0.045 0.000 1.387 120 I HN 0.431 nan 8.210 nan 0.000 0.478 121 L N 7.376 128.585 121.223 -0.023 0.000 2.276 121 L HA 0.720 5.060 4.340 -0.000 0.000 0.286 121 L C -0.267 176.534 176.870 -0.116 0.000 1.024 121 L CA -0.225 54.586 54.840 -0.047 0.000 0.826 121 L CB 0.854 42.854 42.059 -0.098 0.000 1.211 121 L HN 0.661 nan 8.230 nan 0.000 0.422 122 A N 3.671 126.466 122.820 -0.043 0.000 2.303 122 A HA 0.864 5.184 4.320 -0.000 0.000 0.320 122 A C -0.569 176.989 177.584 -0.044 0.000 1.192 122 A CA -0.429 51.577 52.037 -0.053 0.000 0.821 122 A CB 0.907 19.889 19.000 -0.031 0.000 1.188 122 A HN 0.681 nan 8.150 nan 0.000 0.492 123 S N 0.686 116.351 115.700 -0.058 0.000 2.538 123 S HA 0.575 5.045 4.470 -0.000 0.000 0.288 123 S C -0.486 174.082 174.600 -0.053 0.000 1.108 123 S CA -0.525 57.643 58.200 -0.053 0.000 0.971 123 S CB 1.734 64.907 63.200 -0.045 0.000 1.041 123 S HN 0.607 nan 8.310 nan 0.000 0.483 124 V N 4.238 124.115 119.914 -0.062 0.000 2.481 124 V HA 0.557 4.677 4.120 -0.000 0.000 0.286 124 V C 0.140 176.201 176.094 -0.054 0.000 1.042 124 V CA -0.441 61.823 62.300 -0.060 0.000 0.928 124 V CB 1.125 32.907 31.823 -0.068 0.000 0.986 124 V HN 0.908 nan 8.190 nan 0.000 0.462 125 K N 2.584 122.946 120.400 -0.063 0.000 2.399 125 K HA 0.651 4.971 4.320 -0.000 0.000 0.260 125 K C 0.825 177.354 176.600 -0.119 0.000 1.049 125 K CA -0.329 55.920 56.287 -0.064 0.000 0.890 125 K CB 1.575 34.056 32.500 -0.031 0.000 1.430 125 K HN 0.461 nan 8.250 nan 0.000 0.459 126 G N -0.143 108.580 108.800 -0.128 0.000 2.439 126 G HA2 0.044 4.004 3.960 -0.000 0.000 0.212 126 G HA3 0.044 4.004 3.960 -0.000 0.000 0.212 126 G C -0.317 174.343 174.900 -0.401 0.000 1.199 126 G CA 0.742 45.698 45.100 -0.240 0.000 0.807 126 G HN 0.401 nan 8.290 nan 0.000 0.537 127 Y N -0.265 119.916 120.300 -0.199 0.000 2.524 127 Y HA 0.650 5.199 4.550 -0.000 0.000 0.344 127 Y C 0.557 176.366 175.900 -0.152 0.000 1.012 127 Y CA -1.071 56.868 58.100 -0.270 0.000 1.068 127 Y CB 1.801 39.977 38.460 -0.473 0.000 1.249 127 Y HN 0.280 nan 8.280 nan 0.000 0.468 128 A N 1.330 124.194 122.820 0.073 0.000 2.483 128 A HA 0.098 4.417 4.320 -0.000 0.000 0.238 128 A C 0.116 177.742 177.584 0.071 0.000 1.070 128 A CA -0.399 51.679 52.037 0.068 0.000 0.770 128 A CB -0.037 19.021 19.000 0.096 0.000 1.008 128 A HN 0.809 nan 8.150 nan 0.000 0.497 129 E N 0.351 120.566 120.200 0.025 0.000 2.417 129 E HA 0.347 4.697 4.350 -0.000 0.000 0.261 129 E C 1.223 177.835 176.600 0.020 0.000 1.000 129 E CA 1.084 57.488 56.400 0.006 0.000 0.919 129 E CB -0.012 29.687 29.700 -0.001 0.000 0.955 129 E HN 1.310 nan 8.360 nan 0.000 0.455 130 G N 3.866 112.669 108.800 0.006 0.000 2.259 130 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.217 130 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.217 130 G C 0.189 175.093 174.900 0.006 0.000 1.001 130 G CA 0.104 45.206 45.100 0.004 0.000 0.627 130 G HN 0.743 nan 8.290 nan 0.000 0.501 131 H N 1.321 120.358 119.070 -0.055 0.000 2.871 131 H HA 0.471 5.027 4.556 -0.000 0.000 0.355 131 H C 1.837 177.089 175.328 -0.125 0.000 1.092 131 H CA 0.904 56.915 56.048 -0.062 0.000 1.420 131 H CB 1.308 31.066 29.762 -0.007 0.000 1.400 131 H HN 0.355 nan 8.280 nan 0.000 0.604 132 A N 4.281 127.067 122.820 -0.056 0.000 1.972 132 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 132 A C 1.519 179.087 177.584 -0.026 0.000 1.169 132 A CA 1.339 53.358 52.037 -0.031 0.000 0.635 132 A CB -0.045 18.905 19.000 -0.083 0.000 0.810 132 A HN 0.734 nan 8.150 nan 0.000 0.446 133 N N -0.293 118.403 118.700 -0.007 0.000 2.295 133 N HA 0.059 4.799 4.740 -0.000 0.000 0.221 133 N C 0.919 176.154 175.510 -0.458 0.000 1.129 133 N CA 0.273 53.026 53.050 -0.494 0.000 0.836 133 N CB 0.159 37.841 38.487 -1.342 0.000 1.040 133 N HN 0.668 nan 8.380 nan 0.000 0.494 134 E N 0.261 120.306 120.200 -0.258 0.000 2.233 134 E HA -0.246 4.104 4.350 -0.000 0.000 0.210 134 E C 0.199 176.561 176.600 -0.396 0.000 1.046 134 E CA 1.660 57.857 56.400 -0.339 0.000 0.844 134 E CB 0.023 29.387 29.700 -0.560 0.000 0.741 134 E HN 0.621 nan 8.360 nan 0.000 0.465 135 H N -1.700 117.360 119.070 -0.016 0.000 2.784 135 H HA 0.288 4.844 4.556 -0.000 0.000 0.273 135 H C -0.303 175.027 175.328 0.004 0.000 1.112 135 H CA -0.669 55.382 56.048 0.005 0.000 1.162 135 H CB 0.569 30.334 29.762 0.004 0.000 1.586 135 H HN 0.006 nan 8.280 nan 0.000 0.548 136 L N 2.027 123.281 121.223 0.052 0.000 2.456 136 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 136 L C 0.164 177.087 176.870 0.088 0.000 1.189 136 L CA 0.055 54.930 54.840 0.059 0.000 0.846 136 L CB 0.676 42.740 42.059 0.009 0.000 1.111 136 L HN 0.185 nan 8.230 nan 0.000 0.475 137 K N 2.917 123.350 120.400 0.055 0.000 2.339 137 K HA 0.334 4.654 4.320 -0.000 0.000 0.286 137 K C -0.631 175.906 176.600 -0.105 0.000 1.050 137 K CA -0.194 56.073 56.287 -0.034 0.000 0.956 137 K CB 1.363 33.899 32.500 0.059 0.000 0.990 137 K HN 0.341 nan 8.250 nan 0.000 0.475 138 V N 4.144 123.853 119.914 -0.341 0.000 2.686 138 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 138 V C -1.885 173.849 176.094 -0.600 0.000 1.065 138 V CA -0.538 61.570 62.300 -0.320 0.000 0.894 138 V CB 0.846 32.536 31.823 -0.222 0.000 1.004 138 V HN 0.671 nan 8.190 nan 0.000 0.424 139 Y N 2.597 122.912 120.300 0.025 0.000 2.605 139 Y HA 0.642 5.192 4.550 -0.000 0.000 0.343 139 Y C 1.052 176.963 175.900 0.019 0.000 1.036 139 Y CA -0.124 57.997 58.100 0.035 0.000 1.065 139 Y CB 1.517 40.025 38.460 0.079 0.000 1.288 139 Y HN 0.851 nan 8.280 nan 0.000 0.481 140 E N 1.087 121.400 120.200 0.188 0.000 2.965 140 E HA -0.407 3.943 4.350 -0.000 0.000 0.215 140 E C 1.172 177.809 176.600 0.062 0.000 0.862 140 E CA 2.768 59.227 56.400 0.098 0.000 1.372 140 E CB -0.637 29.123 29.700 0.099 0.000 1.425 140 E HN 0.816 nan 8.360 nan 0.000 0.458 141 N N -0.741 118.004 118.700 0.075 0.000 2.309 141 N HA -0.071 4.669 4.740 -0.000 0.000 0.182 141 N C 1.862 177.398 175.510 0.044 0.000 1.018 141 N CA 1.212 54.293 53.050 0.051 0.000 0.876 141 N CB -0.250 38.270 38.487 0.055 0.000 0.972 141 N HN 0.164 nan 8.380 nan 0.000 0.434 142 V N 1.290 121.240 119.914 0.061 0.000 2.407 142 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 142 V C 2.343 178.429 176.094 -0.012 0.000 1.055 142 V CA 1.800 64.126 62.300 0.043 0.000 1.049 142 V CB -0.886 30.978 31.823 0.069 0.000 0.662 142 V HN 0.292 nan 8.190 nan 0.000 0.455 143 A N -1.026 121.766 122.820 -0.046 0.000 1.968 143 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 143 A C 2.178 179.714 177.584 -0.080 0.000 1.169 143 A CA 1.389 53.355 52.037 -0.118 0.000 0.638 143 A CB -0.369 18.552 19.000 -0.132 0.000 0.812 143 A HN 0.609 nan 8.150 nan 0.000 0.446 144 Q N -0.962 118.818 119.800 -0.033 0.000 2.119 144 Q HA -0.168 4.172 4.340 -0.000 0.000 0.201 144 Q C 2.241 178.236 176.000 -0.007 0.000 0.972 144 Q CA 1.582 57.374 55.803 -0.018 0.000 0.847 144 Q CB -0.382 28.356 28.738 -0.001 0.000 0.903 144 Q HN 0.764 nan 8.270 nan 0.000 0.433 145 C N 0.318 119.619 119.300 0.003 0.000 2.466 145 C HA -0.083 4.377 4.460 -0.000 0.000 0.278 145 C C 3.158 178.161 174.990 0.022 0.000 1.288 145 C CA 1.068 60.098 59.018 0.020 0.000 1.722 145 C CB -0.928 26.833 27.740 0.034 0.000 2.017 145 C HN 0.648 nan 8.230 nan 0.000 0.488 146 S N 0.933 116.633 115.700 0.000 0.000 2.402 146 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 146 S C 1.717 176.316 174.600 -0.002 0.000 1.021 146 S CA 1.671 59.876 58.200 0.009 0.000 0.974 146 S CB -0.577 62.569 63.200 -0.092 0.000 0.800 146 S HN 0.604 nan 8.310 nan 0.000 0.484 147 G N -0.635 108.144 108.800 -0.035 0.000 3.189 147 G HA2 0.480 4.440 3.960 -0.000 0.000 0.225 147 G HA3 0.480 4.440 3.960 -0.000 0.000 0.225 147 G C 0.950 175.849 174.900 -0.001 0.000 1.159 147 G CA -0.023 45.059 45.100 -0.030 0.000 0.763 147 G HN 1.350 nan 8.290 nan 0.000 0.549 148 G N -0.856 107.952 108.800 0.014 0.000 2.176 148 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.232 148 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.232 148 G C 1.352 176.269 174.900 0.028 0.000 0.986 148 G CA 0.935 46.052 45.100 0.028 0.000 0.643 148 G HN 1.066 nan 8.290 nan 0.000 0.522 149 A N 0.575 123.404 122.820 0.015 0.000 1.872 149 A HA 0.516 4.836 4.320 -0.000 0.000 0.214 149 A C 2.823 180.418 177.584 0.019 0.000 1.187 149 A CA 2.637 54.682 52.037 0.014 0.000 0.614 149 A CB -0.901 18.099 19.000 0.001 0.000 0.826 149 A HN 1.736 nan 8.150 nan 0.000 0.442 150 A N -0.002 122.829 122.820 0.020 0.000 1.902 150 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 150 A C 2.469 180.074 177.584 0.036 0.000 1.181 150 A CA 2.084 54.136 52.037 0.025 0.000 0.623 150 A CB -0.994 18.022 19.000 0.027 0.000 0.818 150 A HN 1.081 nan 8.150 nan 0.000 0.443 151 A N -0.532 122.314 122.820 0.043 0.000 1.972 151 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 151 A C 2.146 179.772 177.584 0.070 0.000 1.169 151 A CA 2.265 54.336 52.037 0.056 0.000 0.635 151 A CB -0.924 18.110 19.000 0.057 0.000 0.810 151 A HN 0.850 nan 8.150 nan 0.000 0.446 152 T N -4.296 110.298 114.554 0.066 0.000 3.092 152 T HA 0.299 4.649 4.350 -0.000 0.000 0.258 152 T C 0.224 174.956 174.700 0.053 0.000 1.031 152 T CA 0.327 62.480 62.100 0.087 0.000 0.925 152 T CB 0.022 68.949 68.868 0.098 0.000 1.036 152 T HN 0.110 nan 8.240 nan 0.000 0.544 153 T N 1.492 116.061 114.554 0.025 0.000 2.829 153 T HA 0.703 5.052 4.350 -0.000 0.000 0.280 153 T C 0.489 175.178 174.700 -0.018 0.000 0.999 153 T CA 0.147 62.238 62.100 -0.014 0.000 0.983 153 T CB 1.355 70.214 68.868 -0.015 0.000 0.968 153 T HN 0.764 nan 8.240 nan 0.000 0.446 154 G N 2.249 111.005 108.800 -0.074 0.000 2.416 154 G HA2 0.001 3.961 3.960 -0.000 0.000 0.203 154 G HA3 0.001 3.961 3.960 -0.000 0.000 0.203 154 G C -1.368 173.418 174.900 -0.190 0.000 1.227 154 G CA -0.929 44.151 45.100 -0.032 0.000 1.041 154 G HN 0.596 nan 8.290 nan 0.000 0.546 155 F N 0.423 120.275 119.950 -0.163 0.000 2.507 155 F HA 0.532 5.059 4.527 -0.001 0.000 0.327 155 F C 1.472 177.138 175.800 -0.224 0.000 1.068 155 F CA 0.108 57.893 58.000 -0.358 0.000 0.965 155 F CB 1.398 40.014 39.000 -0.640 0.000 1.192 155 F HN 0.772 nan 8.300 nan 0.000 0.476 156 W N 0.194 121.632 121.300 0.229 0.000 2.350 156 W HA -0.135 4.525 4.660 -0.001 0.000 0.289 156 W C 1.106 177.701 176.519 0.126 0.000 1.215 156 W CA 1.293 58.721 57.345 0.139 0.000 1.236 156 W CB -0.782 28.741 29.460 0.105 0.000 1.130 156 W HN 0.419 nan 8.180 nan 0.000 0.541 157 D N -0.298 120.034 120.400 -0.113 0.000 2.388 157 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 157 D C 0.774 177.056 176.300 -0.031 0.000 1.133 157 D CA 0.264 54.279 54.000 0.026 0.000 0.831 157 D CB -0.283 40.554 40.800 0.063 0.000 0.962 157 D HN 0.199 nan 8.370 nan 0.000 0.502 158 G N 0.410 109.193 108.800 -0.027 0.000 3.140 158 G HA2 0.612 4.572 3.960 -0.000 0.000 0.271 158 G HA3 0.612 4.572 3.960 -0.000 0.000 0.271 158 G C -2.856 172.061 174.900 0.029 0.000 1.370 158 G CA -1.353 43.741 45.100 -0.009 0.000 1.014 158 G HN -0.051 nan 8.290 nan 0.000 0.541 159 P HA 0.376 nan 4.420 nan 0.000 0.276 159 P C -2.775 174.551 177.300 0.042 0.000 1.261 159 P CA -1.496 61.625 63.100 0.035 0.000 0.800 159 P CB 0.401 32.116 31.700 0.026 0.000 1.066 160 P HA 0.120 nan 4.420 nan 0.000 0.265 160 P C -0.501 176.819 177.300 0.033 0.000 1.193 160 P CA 0.725 63.850 63.100 0.042 0.000 0.765 160 P CB 0.014 31.739 31.700 0.042 0.000 0.823 161 T N 1.784 116.354 114.554 0.028 0.000 2.848 161 T HA 0.401 4.751 4.350 -0.000 0.000 0.285 161 T C -0.064 174.643 174.700 0.013 0.000 0.995 161 T CA -0.648 61.464 62.100 0.021 0.000 0.970 161 T CB 1.025 69.906 68.868 0.022 0.000 0.976 161 T HN 0.271 nan 8.240 nan 0.000 0.441 162 V N 1.527 121.449 119.914 0.013 0.000 2.775 162 V HA 0.662 4.782 4.120 -0.000 0.000 0.299 162 V C 0.619 176.712 176.094 -0.001 0.000 1.062 162 V CA -0.623 61.683 62.300 0.009 0.000 1.063 162 V CB 1.377 33.209 31.823 0.016 0.000 0.994 162 V HN 0.836 nan 8.190 nan 0.000 0.483 163 S N 2.894 118.591 115.700 -0.005 0.000 2.545 163 S HA 0.495 4.965 4.470 -0.000 0.000 0.275 163 S C 1.390 175.983 174.600 -0.011 0.000 1.299 163 S CA 0.073 58.264 58.200 -0.014 0.000 1.048 163 S CB 0.951 64.141 63.200 -0.016 0.000 0.938 163 S HN 1.402 nan 8.310 nan 0.000 0.496 164 G N 3.187 111.976 108.800 -0.018 0.000 2.448 164 G HA2 0.137 4.097 3.960 -0.000 0.000 0.219 164 G HA3 0.137 4.097 3.960 -0.000 0.000 0.219 164 G C 0.611 175.501 174.900 -0.017 0.000 1.127 164 G CA 0.523 45.612 45.100 -0.018 0.000 0.766 164 G HN 1.076 nan 8.290 nan 0.000 0.552 165 A N 0.290 123.101 122.820 -0.016 0.000 2.462 165 A HA 0.590 4.910 4.320 -0.000 0.000 0.243 165 A C 0.992 178.579 177.584 0.004 0.000 1.076 165 A CA 0.372 52.404 52.037 -0.008 0.000 0.773 165 A CB 0.401 19.394 19.000 -0.011 0.000 1.010 165 A HN 0.976 nan 8.150 nan 0.000 0.493 166 A N 3.050 125.881 122.820 0.018 0.000 3.048 166 A HA 0.376 4.696 4.320 -0.000 0.000 0.264 166 A C 1.063 178.666 177.584 0.030 0.000 1.796 166 A CA -0.283 51.771 52.037 0.028 0.000 1.445 166 A CB -0.875 18.157 19.000 0.053 0.000 1.074 166 A HN 0.876 nan 8.150 nan 0.000 0.621 167 L N 0.539 121.772 121.223 0.016 0.000 2.131 167 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 167 L C 2.587 179.456 176.870 -0.002 0.000 1.092 167 L CA 1.453 56.299 54.840 0.010 0.000 0.759 167 L CB -0.267 41.791 42.059 -0.002 0.000 0.903 167 L HN 0.685 nan 8.230 nan 0.000 0.435 168 G N -0.666 108.133 108.800 -0.002 0.000 2.518 168 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.213 168 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.213 168 G C 1.005 175.905 174.900 0.000 0.000 1.226 168 G CA 0.459 45.550 45.100 -0.016 0.000 0.822 168 G HN 0.208 nan 8.290 nan 0.000 0.546 169 D N 0.572 120.987 120.400 0.024 0.000 2.121 169 D HA 0.010 4.650 4.640 -0.000 0.000 0.209 169 D C 2.892 179.218 176.300 0.043 0.000 0.981 169 D CA 1.205 55.221 54.000 0.027 0.000 0.875 169 D CB -0.654 40.156 40.800 0.017 0.000 1.016 169 D HN 0.160 nan 8.370 nan 0.000 0.452 170 S N 0.545 116.291 115.700 0.077 0.000 2.399 170 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 170 S C 1.665 176.330 174.600 0.107 0.000 1.022 170 S CA 1.073 59.348 58.200 0.126 0.000 0.983 170 S CB -0.301 63.007 63.200 0.180 0.000 0.803 170 S HN 0.228 nan 8.310 nan 0.000 0.480 171 N N 1.417 120.176 118.700 0.099 0.000 2.142 171 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 171 N C 1.639 177.279 175.510 0.216 0.000 1.023 171 N CA 1.721 54.861 53.050 0.151 0.000 0.852 171 N CB -0.390 38.165 38.487 0.113 0.000 0.998 171 N HN 0.177 nan 8.380 nan 0.000 0.424 172 S N -0.860 114.895 115.700 0.092 0.000 2.368 172 S HA -0.030 4.440 4.470 -0.000 0.000 0.225 172 S C 1.930 176.583 174.600 0.089 0.000 1.030 172 S CA 1.166 59.398 58.200 0.053 0.000 0.999 172 S CB -0.975 62.213 63.200 -0.020 0.000 0.844 172 S HN 0.636 nan 8.310 nan 0.000 0.459 173 G N 1.773 110.616 108.800 0.071 0.000 2.418 173 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 173 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 173 G C 1.346 176.290 174.900 0.073 0.000 1.158 173 G CA 0.888 46.023 45.100 0.057 0.000 0.771 173 G HN 0.309 nan 8.290 nan 0.000 0.545 174 M N 0.035 119.693 119.600 0.097 0.000 2.175 174 M HA 0.030 4.509 4.480 -0.000 0.000 0.264 174 M C 2.179 178.490 176.300 0.017 0.000 1.063 174 M CA 1.125 56.466 55.300 0.069 0.000 1.119 174 M CB -1.270 31.366 32.600 0.061 0.000 1.377 174 M HN 0.310 nan 8.290 nan 0.000 0.415 175 H N -0.180 118.905 119.070 0.025 0.000 2.353 175 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 175 H C 1.863 177.191 175.328 -0.001 0.000 1.090 175 H CA 1.452 57.507 56.048 0.011 0.000 1.327 175 H CB -0.172 29.590 29.762 -0.001 0.000 1.383 175 H HN 0.134 nan 8.280 nan 0.000 0.508 176 L N 0.038 121.325 121.223 0.106 0.000 2.131 176 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 176 L C 2.282 179.162 176.870 0.017 0.000 1.092 176 L CA 1.450 56.315 54.840 0.041 0.000 0.759 176 L CB -0.482 41.586 42.059 0.015 0.000 0.903 176 L HN 0.333 nan 8.230 nan 0.000 0.435 177 M N -1.370 118.241 119.600 0.018 0.000 2.159 177 M HA -0.221 4.259 4.480 -0.000 0.000 0.263 177 M C 2.093 178.382 176.300 -0.018 0.000 1.063 177 M CA 1.761 57.061 55.300 0.000 0.000 1.110 177 M CB -0.111 32.500 32.600 0.018 0.000 1.374 177 M HN 0.302 nan 8.290 nan 0.000 0.411 178 I N -0.423 120.134 120.570 -0.022 0.000 2.226 178 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 178 I C 2.506 178.614 176.117 -0.014 0.000 1.100 178 I CA 1.346 62.626 61.300 -0.032 0.000 1.374 178 I CB -1.059 36.914 38.000 -0.045 0.000 1.057 178 I HN 0.436 nan 8.210 nan 0.000 0.413 179 G N 1.248 110.049 108.800 0.001 0.000 2.446 179 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 179 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 179 G C 1.705 176.599 174.900 -0.010 0.000 1.168 179 G CA 0.709 45.809 45.100 -0.001 0.000 0.771 179 G HN 0.305 nan 8.290 nan 0.000 0.551 180 I N 0.324 120.886 120.570 -0.013 0.000 2.179 180 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 180 I C 2.715 178.826 176.117 -0.011 0.000 1.088 180 I CA 0.749 62.041 61.300 -0.014 0.000 1.357 180 I CB -0.199 37.791 38.000 -0.017 0.000 1.051 180 I HN 0.121 nan 8.210 nan 0.000 0.409 181 L N 0.327 121.540 121.223 -0.017 0.000 2.083 181 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 181 L C 2.793 179.663 176.870 -0.000 0.000 1.083 181 L CA 1.227 56.057 54.840 -0.016 0.000 0.752 181 L CB -0.705 41.331 42.059 -0.039 0.000 0.899 181 L HN 0.247 nan 8.230 nan 0.000 0.433 182 A N 0.010 122.829 122.820 -0.003 0.000 1.898 182 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 182 A C 2.508 180.103 177.584 0.018 0.000 1.181 182 A CA 1.609 53.650 52.037 0.006 0.000 0.620 182 A CB -0.639 18.363 19.000 0.002 0.000 0.819 182 A HN 0.383 nan 8.150 nan 0.000 0.442 183 A N -0.491 122.336 122.820 0.011 0.000 2.015 183 A HA 0.074 4.393 4.320 -0.000 0.000 0.219 183 A C 2.086 179.687 177.584 0.028 0.000 1.163 183 A CA 1.218 53.265 52.037 0.016 0.000 0.646 183 A CB -0.492 18.510 19.000 0.002 0.000 0.806 183 A HN 0.467 nan 8.150 nan 0.000 0.448 184 L N -0.707 120.534 121.223 0.030 0.000 2.141 184 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 184 L C 2.537 179.489 176.870 0.137 0.000 1.094 184 L CA 0.951 55.817 54.840 0.044 0.000 0.763 184 L CB -0.373 41.712 42.059 0.042 0.000 0.908 184 L HN 0.336 nan 8.230 nan 0.000 0.437 185 E N 0.277 120.555 120.200 0.129 0.000 2.072 185 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 185 E C 2.317 178.992 176.600 0.124 0.000 0.982 185 E CA 1.037 57.528 56.400 0.152 0.000 0.803 185 E CB -0.068 29.666 29.700 0.056 0.000 0.755 185 E HN 0.499 nan 8.360 nan 0.000 0.453 186 I N 0.801 121.416 120.570 0.074 0.000 2.208 186 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 186 I C 2.784 178.938 176.117 0.061 0.000 1.097 186 I CA 1.169 62.505 61.300 0.059 0.000 1.363 186 I CB -0.266 37.760 38.000 0.044 0.000 1.051 186 I HN 0.034 nan 8.210 nan 0.000 0.413 187 R N 0.152 120.679 120.500 0.044 0.000 2.096 187 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 187 R C 2.269 178.553 176.300 -0.026 0.000 1.127 187 R CA 1.571 57.669 56.100 -0.003 0.000 0.968 187 R CB -0.280 29.990 30.300 -0.049 0.000 0.861 187 R HN 0.410 nan 8.270 nan 0.000 0.440 188 H N -0.425 118.648 119.070 0.005 0.000 2.457 188 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 188 H C 1.664 176.994 175.328 0.003 0.000 1.092 188 H CA 2.006 58.055 56.048 0.001 0.000 1.309 188 H CB 0.299 30.058 29.762 -0.005 0.000 1.382 188 H HN 0.216 nan 8.280 nan 0.000 0.535 189 K N -1.025 119.444 120.400 0.115 0.000 2.172 189 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 189 K C 2.240 178.866 176.600 0.043 0.000 1.040 189 K CA 1.325 57.654 56.287 0.069 0.000 0.974 189 K CB 0.185 32.719 32.500 0.056 0.000 0.857 189 K HN 0.290 nan 8.250 nan 0.000 0.464 190 T N -1.918 112.659 114.554 0.039 0.000 3.043 190 T HA 0.083 4.432 4.350 -0.000 0.000 0.263 190 T C 1.573 176.285 174.700 0.019 0.000 1.094 190 T CA 0.798 62.916 62.100 0.030 0.000 1.127 190 T CB -0.011 68.879 68.868 0.037 0.000 0.905 190 T HN 0.402 nan 8.240 nan 0.000 0.490 191 G N 1.640 110.445 108.800 0.009 0.000 2.168 191 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 191 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 191 G C 0.128 175.027 174.900 -0.001 0.000 0.977 191 G CA 0.131 45.227 45.100 -0.008 0.000 0.659 191 G HN 0.659 nan 8.290 nan 0.000 0.533 192 R N -0.093 120.419 120.500 0.019 0.000 2.803 192 R HA 0.675 5.014 4.340 -0.000 0.000 0.276 192 R C 0.585 176.930 176.300 0.074 0.000 0.978 192 R CA -0.083 56.041 56.100 0.040 0.000 0.939 192 R CB 1.292 31.622 30.300 0.051 0.000 1.179 192 R HN 0.367 nan 8.270 nan 0.000 0.472 193 G N 0.529 109.403 108.800 0.123 0.000 2.476 193 G HA2 0.446 4.406 3.960 -0.000 0.000 0.286 193 G HA3 0.446 4.406 3.960 -0.000 0.000 0.286 193 G C -0.593 174.499 174.900 0.320 0.000 1.177 193 G CA -0.252 44.966 45.100 0.196 0.000 0.870 193 G HN 0.350 nan 8.290 nan 0.000 0.528 194 Q N -0.481 119.446 119.800 0.212 0.000 2.552 194 Q HA 0.371 4.711 4.340 -0.000 0.000 0.289 194 Q C -0.737 175.106 176.000 -0.261 0.000 1.097 194 Q CA -0.896 54.970 55.803 0.105 0.000 0.812 194 Q CB 2.529 31.288 28.738 0.036 0.000 1.460 194 Q HN 0.402 nan 8.270 nan 0.000 0.452 195 K N 0.654 120.714 120.400 -0.566 0.000 2.172 195 K HA 0.508 4.827 4.320 -0.000 0.000 0.276 195 K C -1.222 175.205 176.600 -0.288 0.000 1.013 195 K CA -0.319 55.589 56.287 -0.630 0.000 0.913 195 K CB 1.586 33.585 32.500 -0.834 0.000 1.055 195 K HN 0.238 nan 8.250 nan 0.000 0.461 196 V N 1.764 121.553 119.914 -0.208 0.000 2.760 196 V HA 0.809 4.929 4.120 -0.000 0.000 0.309 196 V C -1.714 174.321 176.094 -0.099 0.000 1.077 196 V CA -0.381 61.849 62.300 -0.118 0.000 0.910 196 V CB 1.724 33.504 31.823 -0.071 0.000 1.008 196 V HN 0.880 nan 8.190 nan 0.000 0.424 197 A N 5.261 128.037 122.820 -0.074 0.000 2.486 197 A HA 0.881 5.200 4.320 -0.000 0.000 0.300 197 A C -1.615 175.945 177.584 -0.039 0.000 1.048 197 A CA -0.531 51.471 52.037 -0.059 0.000 0.696 197 A CB 2.242 21.203 19.000 -0.064 0.000 1.278 197 A HN 1.098 nan 8.150 nan 0.000 0.405 198 V N 1.690 121.582 119.914 -0.037 0.000 2.444 198 V HA 0.663 4.783 4.120 -0.000 0.000 0.294 198 V C 0.515 176.570 176.094 -0.066 0.000 1.022 198 V CA -0.298 61.979 62.300 -0.038 0.000 0.850 198 V CB 1.418 33.236 31.823 -0.008 0.000 0.992 198 V HN 1.326 nan 8.190 nan 0.000 0.426 199 A N 5.255 128.024 122.820 -0.085 0.000 2.331 199 A HA 0.589 4.909 4.320 -0.000 0.000 0.283 199 A C 1.106 178.588 177.584 -0.170 0.000 1.142 199 A CA -0.431 51.532 52.037 -0.124 0.000 0.812 199 A CB 0.629 19.560 19.000 -0.116 0.000 1.074 199 A HN 0.892 nan 8.150 nan 0.000 0.497 200 M N 0.709 120.187 119.600 -0.203 0.000 2.108 200 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 200 M C 2.267 178.422 176.300 -0.241 0.000 1.066 200 M CA 2.145 57.322 55.300 -0.205 0.000 1.107 200 M CB -0.392 32.086 32.600 -0.203 0.000 1.356 200 M HN 1.013 nan 8.290 nan 0.000 0.406 201 Q N 0.740 120.335 119.800 -0.341 0.000 2.112 201 Q HA -0.236 4.103 4.340 -0.000 0.000 0.206 201 Q C 1.177 177.066 176.000 -0.184 0.000 0.987 201 Q CA 1.988 57.608 55.803 -0.306 0.000 0.858 201 Q CB 0.032 28.501 28.738 -0.448 0.000 0.905 201 Q HN 0.469 nan 8.270 nan 0.000 0.420 202 D N -0.096 120.202 120.400 -0.169 0.000 2.149 202 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 202 D C 1.695 177.867 176.300 -0.213 0.000 0.972 202 D CA 1.158 55.078 54.000 -0.133 0.000 0.835 202 D CB -0.286 40.457 40.800 -0.095 0.000 0.966 202 D HN 0.394 nan 8.370 nan 0.000 0.476 203 A N 0.692 123.334 122.820 -0.296 0.000 1.902 203 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 203 A C 2.468 179.864 177.584 -0.312 0.000 1.181 203 A CA 1.227 52.956 52.037 -0.513 0.000 0.623 203 A CB -0.733 18.027 19.000 -0.401 0.000 0.818 203 A HN 0.145 nan 8.150 nan 0.000 0.443 204 V N -0.169 119.636 119.914 -0.182 0.000 2.307 204 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 204 V C 2.545 178.594 176.094 -0.075 0.000 1.045 204 V CA 1.874 64.112 62.300 -0.103 0.000 1.024 204 V CB -0.764 31.006 31.823 -0.087 0.000 0.651 204 V HN 0.562 nan 8.190 nan 0.000 0.449 205 L N 0.367 121.542 121.223 -0.080 0.000 2.079 205 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 205 L C 2.485 179.337 176.870 -0.030 0.000 1.081 205 L CA 1.897 56.712 54.840 -0.042 0.000 0.752 205 L CB -0.657 41.382 42.059 -0.033 0.000 0.896 205 L HN 0.417 nan 8.230 nan 0.000 0.433 206 N N 0.206 118.871 118.700 -0.057 0.000 2.149 206 N HA -0.189 4.550 4.740 -0.000 0.000 0.188 206 N C 1.634 177.162 175.510 0.030 0.000 1.019 206 N CA 1.425 54.471 53.050 -0.007 0.000 0.857 206 N CB -0.111 38.376 38.487 -0.001 0.000 0.997 206 N HN 0.278 nan 8.380 nan 0.000 0.426 207 L N -0.092 121.142 121.223 0.020 0.000 2.492 207 L HA 0.081 4.421 4.340 -0.000 0.000 0.223 207 L C 1.031 177.913 176.870 0.020 0.000 1.132 207 L CA 0.258 55.119 54.840 0.035 0.000 0.850 207 L CB 0.007 42.090 42.059 0.040 0.000 0.966 207 L HN 0.099 nan 8.230 nan 0.000 0.454 208 V N -4.060 115.862 119.914 0.014 0.000 3.099 208 V HA 0.172 4.291 4.120 -0.000 0.000 0.356 208 V C 1.888 177.998 176.094 0.027 0.000 1.364 208 V CA -0.225 62.088 62.300 0.021 0.000 1.229 208 V CB -0.145 31.690 31.823 0.021 0.000 1.227 208 V HN 0.297 nan 8.190 nan 0.000 0.493 209 R N 1.630 122.145 120.500 0.025 0.000 2.103 209 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 209 R C 2.143 178.462 176.300 0.031 0.000 1.142 209 R CA 2.621 58.736 56.100 0.026 0.000 0.960 209 R CB -0.339 29.977 30.300 0.025 0.000 0.858 209 R HN 0.833 nan 8.270 nan 0.000 0.439 210 I N -1.064 119.528 120.570 0.036 0.000 2.361 210 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 210 I C 1.300 177.457 176.117 0.067 0.000 1.133 210 I CA 1.322 62.650 61.300 0.047 0.000 1.413 210 I CB -0.304 37.724 38.000 0.047 0.000 1.073 210 I HN -0.046 nan 8.210 nan 0.000 0.424 211 K N 1.061 121.502 120.400 0.068 0.000 2.296 211 K HA 0.055 4.375 4.320 -0.000 0.000 0.200 211 K C 2.039 178.673 176.600 0.057 0.000 1.048 211 K CA 0.864 57.201 56.287 0.084 0.000 0.966 211 K CB -0.442 32.109 32.500 0.085 0.000 0.754 211 K HN 0.333 nan 8.250 nan 0.000 0.466 212 L N 1.646 122.894 121.223 0.041 0.000 2.109 212 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 212 L C 2.516 179.399 176.870 0.021 0.000 1.086 212 L CA 1.378 56.234 54.840 0.028 0.000 0.760 212 L CB -0.357 41.716 42.059 0.023 0.000 0.910 212 L HN 0.044 nan 8.230 nan 0.000 0.437 213 R N -0.325 120.190 120.500 0.025 0.000 2.094 213 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 213 R C 1.769 178.078 176.300 0.014 0.000 1.137 213 R CA 2.253 58.364 56.100 0.018 0.000 0.943 213 R CB -0.454 29.861 30.300 0.024 0.000 0.850 213 R HN 0.385 nan 8.270 nan 0.000 0.433 214 D N -0.013 120.407 120.400 0.033 0.000 2.178 214 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 214 D C 1.900 178.184 176.300 -0.028 0.000 0.980 214 D CA 1.042 55.049 54.000 0.012 0.000 0.842 214 D CB -0.246 40.595 40.800 0.068 0.000 0.948 214 D HN 0.259 nan 8.370 nan 0.000 0.472 215 Q N 0.774 120.572 119.800 -0.002 0.000 2.119 215 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 215 Q C 1.922 177.912 176.000 -0.016 0.000 0.972 215 Q CA 1.480 57.279 55.803 -0.006 0.000 0.847 215 Q CB -0.115 28.631 28.738 0.012 0.000 0.903 215 Q HN 0.341 nan 8.270 nan 0.000 0.433 216 Q N -0.636 119.156 119.800 -0.014 0.000 2.079 216 Q HA -0.085 4.254 4.340 -0.000 0.000 0.200 216 Q C 2.197 178.177 176.000 -0.034 0.000 0.974 216 Q CA 1.227 57.019 55.803 -0.018 0.000 0.840 216 Q CB -0.060 28.671 28.738 -0.012 0.000 0.898 216 Q HN 0.316 nan 8.270 nan 0.000 0.430 217 R N 0.261 120.735 120.500 -0.044 0.000 2.091 217 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 217 R C 2.270 178.511 176.300 -0.097 0.000 1.136 217 R CA 1.156 57.216 56.100 -0.067 0.000 0.959 217 R CB -0.422 29.835 30.300 -0.071 0.000 0.856 217 R HN 0.155 nan 8.270 nan 0.000 0.437 218 L N 1.577 122.734 121.223 -0.110 0.000 2.046 218 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 218 L C 1.733 178.563 176.870 -0.066 0.000 1.077 218 L CA 1.824 56.591 54.840 -0.122 0.000 0.747 218 L CB -0.329 41.675 42.059 -0.093 0.000 0.896 218 L HN 0.134 nan 8.230 nan 0.000 0.432 219 E N -0.872 119.303 120.200 -0.041 0.000 2.110 219 E HA -0.210 4.139 4.350 -0.000 0.000 0.193 219 E C 2.273 178.854 176.600 -0.030 0.000 0.988 219 E CA 1.180 57.565 56.400 -0.025 0.000 0.804 219 E CB -0.078 29.612 29.700 -0.015 0.000 0.745 219 E HN 0.481 nan 8.360 nan 0.000 0.458 220 R N -0.243 120.234 120.500 -0.039 0.000 2.119 220 R HA -0.038 4.302 4.340 -0.000 0.000 0.222 220 R C 2.261 178.534 176.300 -0.045 0.000 1.088 220 R CA 1.701 57.779 56.100 -0.038 0.000 0.984 220 R CB 0.080 30.357 30.300 -0.037 0.000 0.884 220 R HN 0.228 nan 8.270 nan 0.000 0.447 221 T N -5.226 109.290 114.554 -0.065 0.000 2.958 221 T HA 0.235 4.584 4.350 -0.000 0.000 0.256 221 T C 1.345 175.995 174.700 -0.084 0.000 0.983 221 T CA 0.442 62.498 62.100 -0.075 0.000 0.924 221 T CB 1.212 70.024 68.868 -0.094 0.000 1.136 221 T HN 0.297 nan 8.240 nan 0.000 0.506 222 G N 1.392 110.140 108.800 -0.086 0.000 2.184 222 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.264 222 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.264 222 G C -0.083 174.736 174.900 -0.134 0.000 0.975 222 G CA 0.445 45.505 45.100 -0.066 0.000 0.642 222 G HN 0.885 nan 8.290 nan 0.000 0.536 223 I N -0.532 119.857 120.570 -0.302 0.000 2.841 223 I HA 0.587 4.757 4.170 -0.000 0.000 0.298 223 I C -1.176 174.477 176.117 -0.773 0.000 1.304 223 I CA -1.338 59.578 61.300 -0.640 0.000 1.019 223 I CB 1.686 39.480 38.000 -0.343 0.000 1.282 223 I HN -0.036 nan 8.210 nan 0.000 0.432 224 L N 7.158 127.590 121.223 -1.319 0.000 2.366 224 L HA 0.493 4.833 4.340 -0.000 0.000 0.266 224 L C 1.033 177.723 176.870 -0.300 0.000 1.010 224 L CA -0.368 54.067 54.840 -0.675 0.000 0.879 224 L CB 1.539 43.145 42.059 -0.755 0.000 1.228 224 L HN 0.813 nan 8.230 nan 0.000 0.439 225 A N 2.420 125.167 122.820 -0.122 0.000 1.978 225 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 225 A C 2.011 179.625 177.584 0.051 0.000 1.170 225 A CA 1.771 53.792 52.037 -0.027 0.000 0.636 225 A CB -0.164 18.838 19.000 0.004 0.000 0.810 225 A HN 0.815 nan 8.150 nan 0.000 0.448 226 E N -1.270 119.029 120.200 0.163 0.000 2.489 226 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 226 E C -0.499 176.221 176.600 0.200 0.000 1.057 226 E CA -0.207 56.288 56.400 0.159 0.000 0.866 226 E CB -0.391 29.477 29.700 0.279 0.000 0.916 226 E HN 0.541 nan 8.360 nan 0.000 0.500 227 Y N 1.471 121.844 120.300 0.121 0.000 2.326 227 Y HA 0.168 4.718 4.550 -0.000 0.000 0.333 227 Y C -1.260 174.707 175.900 0.112 0.000 1.240 227 Y CA -2.112 56.106 58.100 0.197 0.000 1.365 227 Y CB 0.633 39.328 38.460 0.392 0.000 1.289 227 Y HN -0.120 nan 8.280 nan 0.000 0.548 228 P HA -0.197 nan 4.420 nan 0.000 0.217 228 P C 0.851 178.091 177.300 -0.100 0.000 1.148 228 P CA 1.645 64.715 63.100 -0.049 0.000 0.828 228 P CB 0.309 31.959 31.700 -0.082 0.000 0.783 229 Q N -0.727 119.022 119.800 -0.085 0.000 2.291 229 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 229 Q C 2.030 178.014 176.000 -0.025 0.000 0.970 229 Q CA 1.539 57.196 55.803 -0.243 0.000 0.876 229 Q CB -1.019 27.365 28.738 -0.589 0.000 0.935 229 Q HN 0.208 nan 8.270 nan 0.000 0.455 230 A N -0.488 122.477 122.820 0.241 0.000 2.251 230 A HA 0.046 4.365 4.320 -0.000 0.000 0.209 230 A C 0.430 178.025 177.584 0.018 0.000 1.187 230 A CA -0.015 52.151 52.037 0.214 0.000 0.823 230 A CB 0.185 19.320 19.000 0.224 0.000 0.846 230 A HN 0.151 nan 8.150 nan 0.000 0.486 231 Q N 0.473 120.242 119.800 -0.052 0.000 2.259 231 Q HA 0.398 4.738 4.340 -0.000 0.000 0.249 231 Q C -2.587 173.347 176.000 -0.110 0.000 0.914 231 Q CA -1.999 53.729 55.803 -0.124 0.000 0.904 231 Q CB 0.482 29.090 28.738 -0.216 0.000 1.213 231 Q HN 0.082 nan 8.270 nan 0.000 0.428 232 P HA -0.147 nan 4.420 nan 0.000 0.258 232 P C -0.946 176.310 177.300 -0.073 0.000 1.187 232 P CA 0.324 63.371 63.100 -0.088 0.000 0.767 232 P CB 0.156 31.802 31.700 -0.090 0.000 0.770 233 N N 2.344 120.984 118.700 -0.101 0.000 2.676 233 N HA -0.256 4.484 4.740 -0.000 0.000 0.290 233 N C -0.198 175.191 175.510 -0.202 0.000 1.109 233 N CA 0.605 53.560 53.050 -0.158 0.000 0.779 233 N CB -0.507 37.994 38.487 0.023 0.000 0.947 233 N HN 0.480 nan 8.380 nan 0.000 0.566 234 F N 0.622 120.207 119.950 -0.608 0.000 2.102 234 F HA 0.361 4.888 4.527 -0.000 0.000 0.254 234 F C 0.510 175.811 175.800 -0.832 0.000 0.975 234 F CA 0.652 58.325 58.000 -0.546 0.000 1.176 234 F CB -0.325 38.463 39.000 -0.354 0.000 1.358 234 F HN 0.184 nan 8.300 nan 0.000 0.728 235 A N 1.738 123.990 122.820 -0.945 0.000 2.454 235 A HA 0.417 4.737 4.320 -0.000 0.000 0.260 235 A C -1.376 175.661 177.584 -0.913 0.000 1.106 235 A CA 0.229 51.586 52.037 -1.133 0.000 0.780 235 A CB -1.154 17.072 19.000 -1.290 0.000 1.044 235 A HN 0.340 nan 8.150 nan 0.000 0.498 236 F N 1.481 121.342 119.950 -0.147 0.000 2.520 236 F HA 0.362 4.889 4.527 -0.001 0.000 0.322 236 F C 0.472 176.342 175.800 0.116 0.000 1.103 236 F CA -0.772 57.217 58.000 -0.018 0.000 0.926 236 F CB 1.877 40.870 39.000 -0.010 0.000 1.154 236 F HN 0.775 nan 8.300 nan 0.000 0.453 237 D N 1.277 121.824 120.400 0.246 0.000 2.384 237 D HA 0.145 4.785 4.640 -0.000 0.000 0.244 237 D C 1.189 177.597 176.300 0.180 0.000 1.251 237 D CA -0.520 53.604 54.000 0.205 0.000 0.961 237 D CB 0.734 41.607 40.800 0.123 0.000 1.116 237 D HN 0.228 nan 8.370 nan 0.000 0.484 238 R N 0.001 120.581 120.500 0.133 0.000 2.139 238 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 238 R C 0.622 176.962 176.300 0.066 0.000 1.145 238 R CA 1.247 57.400 56.100 0.089 0.000 0.976 238 R CB -0.783 29.556 30.300 0.066 0.000 0.866 238 R HN 0.589 nan 8.270 nan 0.000 0.449 239 D N -0.972 119.468 120.400 0.066 0.000 2.349 239 D HA 0.104 4.744 4.640 -0.000 0.000 0.224 239 D C 0.743 177.065 176.300 0.037 0.000 1.029 239 D CA 0.800 54.827 54.000 0.044 0.000 0.879 239 D CB 0.096 40.920 40.800 0.040 0.000 0.906 239 D HN 0.386 nan 8.370 nan 0.000 0.528 240 G N 0.769 109.604 108.800 0.057 0.000 2.212 240 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.255 240 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.255 240 G C -0.250 174.672 174.900 0.036 0.000 1.062 240 G CA -0.360 44.741 45.100 0.002 0.000 0.815 240 G HN 0.385 nan 8.290 nan 0.000 0.497 241 N N 0.404 119.210 118.700 0.176 0.000 2.272 241 N HA 0.622 5.362 4.740 -0.000 0.000 0.305 241 N C -2.874 172.835 175.510 0.332 0.000 1.103 241 N CA -1.926 51.254 53.050 0.216 0.000 0.791 241 N CB 2.330 40.882 38.487 0.107 0.000 1.356 241 N HN -0.034 nan 8.380 nan 0.000 0.486 242 P HA 0.039 nan 4.420 nan 0.000 0.265 242 P C -0.732 176.514 177.300 -0.091 0.000 1.193 242 P CA 0.220 63.328 63.100 0.013 0.000 0.765 242 P CB 0.632 32.342 31.700 0.017 0.000 0.823 243 L N 2.225 123.302 121.223 -0.243 0.000 2.375 243 L HA 0.656 4.996 4.340 -0.000 0.000 0.268 243 L C 0.772 177.510 176.870 -0.219 0.000 1.058 243 L CA 0.011 54.720 54.840 -0.219 0.000 0.803 243 L CB 1.335 43.211 42.059 -0.304 0.000 1.212 243 L HN 0.547 nan 8.230 nan 0.000 0.451 244 S N -0.203 115.377 115.700 -0.200 0.000 2.636 244 S HA 0.383 4.852 4.470 -0.000 0.000 0.268 244 S C -0.230 174.250 174.600 -0.199 0.000 1.159 244 S CA -0.708 57.400 58.200 -0.153 0.000 0.815 244 S CB 0.491 63.662 63.200 -0.048 0.000 1.130 244 S HN 0.350 nan 8.310 nan 0.000 0.471 245 F N 1.616 121.532 119.950 -0.057 0.000 2.816 245 F HA 0.158 4.685 4.527 -0.001 0.000 0.302 245 F C 1.524 177.301 175.800 -0.039 0.000 1.178 245 F CA 0.112 58.081 58.000 -0.052 0.000 1.421 245 F CB -0.270 38.692 39.000 -0.064 0.000 1.114 245 F HN 0.558 nan 8.300 nan 0.000 0.573 246 D N 0.101 120.545 120.400 0.073 0.000 2.106 246 D HA -0.254 4.386 4.640 -0.000 0.000 0.191 246 D C 1.771 178.091 176.300 0.033 0.000 0.997 246 D CA 1.384 55.410 54.000 0.044 0.000 0.834 246 D CB -0.306 40.503 40.800 0.016 0.000 0.956 246 D HN 0.273 nan 8.370 nan 0.000 0.448 247 N N -0.130 118.575 118.700 0.008 0.000 2.214 247 N HA 0.065 4.805 4.740 -0.000 0.000 0.214 247 N C -0.490 175.022 175.510 0.003 0.000 1.132 247 N CA -0.104 52.949 53.050 0.006 0.000 0.856 247 N CB 0.618 39.104 38.487 -0.002 0.000 1.020 247 N HN 0.093 nan 8.380 nan 0.000 0.509 248 I N 1.671 122.244 120.570 0.006 0.000 2.291 248 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 248 I C 1.320 177.494 176.117 0.095 0.000 1.064 248 I CA -0.107 61.200 61.300 0.012 0.000 1.269 248 I CB 1.483 39.408 38.000 -0.125 0.000 1.418 248 I HN 0.033 nan 8.210 nan 0.000 0.485 249 T N -0.121 114.469 114.554 0.059 0.000 3.023 249 T HA 0.124 4.474 4.350 -0.000 0.000 0.253 249 T C 0.584 175.312 174.700 0.047 0.000 1.038 249 T CA -0.259 61.873 62.100 0.053 0.000 0.962 249 T CB 0.388 69.276 68.868 0.034 0.000 1.018 249 T HN 0.404 nan 8.240 nan 0.000 0.521 250 S N 0.731 116.461 115.700 0.051 0.000 2.526 250 S HA 0.583 5.053 4.470 -0.000 0.000 0.293 250 S C -0.345 174.289 174.600 0.057 0.000 1.092 250 S CA -0.623 57.605 58.200 0.046 0.000 0.980 250 S CB 1.614 64.839 63.200 0.043 0.000 1.048 250 S HN 0.230 nan 8.310 nan 0.000 0.483 251 V N 6.784 126.728 119.914 0.050 0.000 2.583 251 V HA 0.122 4.242 4.120 -0.000 0.000 0.302 251 V C -1.499 174.657 176.094 0.104 0.000 1.033 251 V CA -0.287 62.045 62.300 0.053 0.000 1.194 251 V CB -0.571 31.293 31.823 0.068 0.000 0.879 251 V HN 0.727 nan 8.190 nan 0.000 0.482 252 P HA 0.382 nan 4.420 nan 0.000 0.281 252 P C -0.626 176.851 177.300 0.296 0.000 1.281 252 P CA -0.986 62.218 63.100 0.173 0.000 0.811 252 P CB 1.046 32.805 31.700 0.100 0.000 1.154 253 R N -0.638 120.015 120.500 0.255 0.000 2.340 253 R HA 0.427 4.767 4.340 -0.000 0.000 0.300 253 R C 1.193 177.696 176.300 0.339 0.000 1.069 253 R CA -0.006 56.229 56.100 0.226 0.000 0.984 253 R CB 0.251 30.636 30.300 0.141 0.000 1.003 253 R HN 0.652 nan 8.270 nan 0.000 0.459 254 G N 1.501 110.430 108.800 0.214 0.000 3.575 254 G HA2 0.301 4.261 3.960 -0.000 0.000 0.273 254 G HA3 0.301 4.261 3.960 -0.000 0.000 0.273 254 G C 0.821 175.822 174.900 0.169 0.000 1.053 254 G CA 0.241 45.495 45.100 0.258 0.000 0.803 254 G HN 0.926 nan 8.290 nan 0.000 0.528 255 G N 1.519 110.096 108.800 -0.371 0.000 2.629 255 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.313 255 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.313 255 G C 0.718 175.113 174.900 -0.842 0.000 1.217 255 G CA 0.433 44.675 45.100 -1.430 0.000 0.994 255 G HN 0.370 nan 8.290 nan 0.000 0.549 256 N N 2.442 120.546 118.700 -0.993 0.000 2.320 256 N HA 0.504 5.244 4.740 -0.000 0.000 0.237 256 N C 0.867 176.201 175.510 -0.293 0.000 1.129 256 N CA 0.741 53.335 53.050 -0.759 0.000 0.854 256 N CB 0.326 38.205 38.487 -1.013 0.000 1.083 256 N HN 0.916 nan 8.380 nan 0.000 0.504 257 A N -0.368 122.481 122.820 0.049 0.000 2.429 257 A HA 0.407 4.727 4.320 -0.000 0.000 0.242 257 A C 1.669 179.328 177.584 0.125 0.000 1.088 257 A CA 0.360 52.535 52.037 0.231 0.000 0.784 257 A CB -0.025 19.050 19.000 0.126 0.000 1.038 257 A HN 0.287 nan 8.150 nan 0.000 0.501 258 G N -0.084 108.826 108.800 0.183 0.000 2.450 258 G HA2 0.238 4.198 3.960 -0.000 0.000 0.220 258 G HA3 0.238 4.198 3.960 -0.000 0.000 0.220 258 G C 1.394 176.320 174.900 0.043 0.000 1.130 258 G CA 1.011 46.214 45.100 0.171 0.000 0.760 258 G HN 2.395 nan 8.290 nan 0.000 0.557 259 G N -1.577 107.215 108.800 -0.012 0.000 2.155 259 G HA2 0.195 4.155 3.960 -0.000 0.000 0.257 259 G HA3 0.195 4.155 3.960 -0.000 0.000 0.257 259 G C 0.618 175.541 174.900 0.039 0.000 0.983 259 G CA 0.980 46.067 45.100 -0.022 0.000 0.676 259 G HN 1.621 nan 8.290 nan 0.000 0.528 260 G N -2.126 106.716 108.800 0.068 0.000 2.772 260 G HA2 0.647 4.606 3.960 -0.000 0.000 0.284 260 G HA3 0.647 4.606 3.960 -0.000 0.000 0.284 260 G C 0.927 175.886 174.900 0.099 0.000 1.217 260 G CA 0.746 45.890 45.100 0.074 0.000 0.831 260 G HN 1.195 nan 8.290 nan 0.000 0.523 261 G N -1.027 107.804 108.800 0.052 0.000 2.744 261 G HA2 0.272 4.232 3.960 -0.000 0.000 0.211 261 G HA3 0.272 4.232 3.960 -0.000 0.000 0.211 261 G C 0.479 175.448 174.900 0.115 0.000 1.143 261 G CA 0.481 45.577 45.100 -0.007 0.000 0.788 261 G HN 0.396 nan 8.290 nan 0.000 0.534 262 Q N 0.798 120.706 119.800 0.181 0.000 2.363 262 Q HA 0.283 4.623 4.340 -0.000 0.000 0.265 262 Q C -2.634 173.535 176.000 0.281 0.000 1.032 262 Q CA -1.958 53.990 55.803 0.241 0.000 0.746 262 Q CB 2.505 31.345 28.738 0.170 0.000 1.237 262 Q HN 0.033 nan 8.270 nan 0.000 0.475 263 P HA 0.136 nan 4.420 nan 0.000 0.267 263 P C -0.233 177.341 177.300 0.458 0.000 1.201 263 P CA 0.066 63.375 63.100 0.349 0.000 0.775 263 P CB 0.719 32.593 31.700 0.289 0.000 0.854 264 G N 0.051 109.090 108.800 0.398 0.000 2.608 264 G HA2 0.549 4.508 3.960 -0.000 0.000 0.291 264 G HA3 0.549 4.508 3.960 -0.000 0.000 0.291 264 G C -2.480 172.089 174.900 -0.553 0.000 1.425 264 G CA -0.491 44.652 45.100 0.072 0.000 0.787 264 G HN 0.520 nan 8.290 nan 0.000 0.484 265 W N 0.253 120.685 121.300 -1.447 0.000 3.074 265 W HA 0.570 5.230 4.660 -0.000 0.000 0.332 265 W C -1.548 174.472 176.519 -0.831 0.000 1.253 265 W CA -0.947 55.755 57.345 -1.071 0.000 1.180 265 W CB 2.367 31.069 29.460 -1.263 0.000 1.445 265 W HN 0.581 nan 8.180 nan 0.000 0.573 266 M N 3.890 123.082 119.600 -0.680 0.000 2.108 266 M HA 0.439 4.919 4.480 -0.000 0.000 0.354 266 M C -1.417 174.911 176.300 0.047 0.000 1.229 266 M CA 0.237 55.405 55.300 -0.220 0.000 1.081 266 M CB 0.288 32.748 32.600 -0.233 0.000 1.606 266 M HN 0.189 nan 8.290 nan 0.000 0.467 267 L N 5.058 126.422 121.223 0.235 0.000 2.341 267 L HA 0.525 4.865 4.340 -0.000 0.000 0.278 267 L C -0.127 176.871 176.870 0.213 0.000 1.005 267 L CA -1.093 53.915 54.840 0.281 0.000 0.818 267 L CB 1.803 44.062 42.059 0.334 0.000 1.259 267 L HN 0.621 nan 8.230 nan 0.000 0.418 268 K N 1.333 121.702 120.400 -0.052 0.000 2.436 268 K HA 0.293 4.612 4.320 -0.000 0.000 0.275 268 K C -0.623 175.898 176.600 -0.132 0.000 0.999 268 K CA -0.253 55.736 56.287 -0.497 0.000 0.980 268 K CB 0.746 32.750 32.500 -0.827 0.000 0.919 268 K HN 0.525 nan 8.250 nan 0.000 0.484 269 C N 1.444 120.654 119.300 -0.151 0.000 2.710 269 C HA 0.330 4.789 4.460 -0.000 0.000 0.367 269 C C -0.008 175.065 174.990 0.138 0.000 1.315 269 C CA -1.003 58.046 59.018 0.051 0.000 1.764 269 C CB 1.249 28.983 27.740 -0.010 0.000 2.182 269 C HN 0.797 nan 8.230 nan 0.000 0.491 270 K N 0.378 120.850 120.400 0.121 0.000 2.447 270 K HA 0.383 4.703 4.320 -0.000 0.000 0.281 270 K C 0.890 177.530 176.600 0.066 0.000 1.031 270 K CA 1.424 57.775 56.287 0.107 0.000 1.019 270 K CB -0.302 32.238 32.500 0.067 0.000 0.918 270 K HN 1.147 nan 8.250 nan 0.000 0.476 271 G N 4.644 113.453 108.800 0.014 0.000 2.144 271 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 271 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 271 G C 0.529 175.400 174.900 -0.048 0.000 0.988 271 G CA 0.276 45.348 45.100 -0.047 0.000 0.659 271 G HN 0.899 nan 8.290 nan 0.000 0.522 272 W N 0.638 121.893 121.300 -0.075 0.000 2.465 272 W HA 0.098 4.757 4.660 -0.001 0.000 0.268 272 W C 1.069 177.593 176.519 0.008 0.000 1.242 272 W CA 1.293 58.581 57.345 -0.094 0.000 1.248 272 W CB -0.445 28.846 29.460 -0.282 0.000 1.118 272 W HN 0.387 nan 8.180 nan 0.000 0.587 273 E N 1.017 120.797 120.200 -0.700 0.000 2.208 273 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 273 E C 2.212 178.689 176.600 -0.205 0.000 0.988 273 E CA 2.664 58.702 56.400 -0.604 0.000 0.828 273 E CB -0.323 28.905 29.700 -0.787 0.000 0.763 273 E HN 0.357 nan 8.360 nan 0.000 0.478 274 T N -2.915 111.555 114.554 -0.140 0.000 3.003 274 T HA 0.082 4.432 4.350 -0.000 0.000 0.261 274 T C 0.217 174.924 174.700 0.013 0.000 1.003 274 T CA -0.340 61.729 62.100 -0.052 0.000 0.917 274 T CB 0.414 69.244 68.868 -0.063 0.000 1.084 274 T HN -0.138 nan 8.240 nan 0.000 0.522 275 D N 0.976 121.406 120.400 0.050 0.000 2.440 275 D HA 0.587 5.226 4.640 -0.000 0.000 0.252 275 D C 1.094 177.504 176.300 0.184 0.000 1.180 275 D CA -0.387 53.672 54.000 0.097 0.000 0.894 275 D CB 1.564 42.413 40.800 0.083 0.000 1.111 275 D HN 0.128 nan 8.370 nan 0.000 0.544 276 A N 3.284 126.211 122.820 0.179 0.000 2.076 276 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 276 A C 1.068 178.831 177.584 0.298 0.000 1.160 276 A CA 1.181 53.359 52.037 0.235 0.000 0.653 276 A CB 0.115 19.194 19.000 0.132 0.000 0.801 276 A HN 0.458 nan 8.150 nan 0.000 0.455 277 D N -1.072 119.477 120.400 0.249 0.000 2.462 277 D HA 0.139 4.778 4.640 -0.000 0.000 0.221 277 D C 0.090 176.560 176.300 0.283 0.000 1.173 277 D CA 0.156 54.301 54.000 0.241 0.000 0.831 277 D CB 0.249 41.122 40.800 0.122 0.000 1.001 277 D HN 0.164 nan 8.370 nan 0.000 0.499 278 S N 0.701 116.577 115.700 0.293 0.000 4.139 278 S HA 0.193 4.663 4.470 -0.000 0.000 0.215 278 S C -0.925 173.632 174.600 -0.073 0.000 1.390 278 S CA -0.202 58.053 58.200 0.092 0.000 0.885 278 S CB -0.641 62.593 63.200 0.057 0.000 1.560 278 S HN 0.038 nan 8.310 nan 0.000 0.449 279 Y N 0.017 120.329 120.300 0.020 0.000 2.588 279 Y HA 0.562 5.112 4.550 0.000 0.000 0.343 279 Y C -0.171 175.729 175.900 0.001 0.000 1.065 279 Y CA -1.172 56.947 58.100 0.032 0.000 1.038 279 Y CB 1.731 40.211 38.460 0.033 0.000 1.297 279 Y HN 0.189 nan 8.280 nan 0.000 0.467 280 V N -1.258 118.785 119.914 0.215 0.000 2.914 280 V HA 0.592 4.712 4.120 -0.000 0.000 0.314 280 V C -1.780 174.465 176.094 0.251 0.000 1.084 280 V CA -1.180 61.220 62.300 0.167 0.000 0.963 280 V CB 2.039 33.912 31.823 0.084 0.000 1.025 280 V HN 0.725 nan 8.190 nan 0.000 0.432 281 Y N 3.145 123.516 120.300 0.117 0.000 2.326 281 Y HA 0.685 5.235 4.550 0.000 0.000 0.337 281 Y C -0.942 175.081 175.900 0.204 0.000 1.023 281 Y CA -0.806 57.367 58.100 0.121 0.000 1.143 281 Y CB 1.650 40.127 38.460 0.028 0.000 1.183 281 Y HN 0.764 nan 8.280 nan 0.000 0.485 282 F N 4.796 124.561 119.950 -0.309 0.000 2.427 282 F HA 0.440 4.967 4.527 -0.001 0.000 0.348 282 F C -0.565 175.238 175.800 0.005 0.000 1.125 282 F CA -0.460 57.542 58.000 0.004 0.000 0.989 282 F CB 1.176 40.287 39.000 0.186 0.000 1.165 282 F HN 0.350 nan 8.300 nan 0.000 0.442 283 T N 7.141 121.755 114.554 0.100 0.000 2.779 283 T HA 0.429 4.779 4.350 -0.000 0.000 0.280 283 T C -0.046 174.813 174.700 0.265 0.000 0.987 283 T CA -0.471 61.788 62.100 0.264 0.000 0.966 283 T CB 0.824 69.838 68.868 0.244 0.000 0.933 283 T HN 0.234 nan 8.240 nan 0.000 0.442 284 I N 3.773 124.590 120.570 0.412 0.000 2.260 284 I HA 0.316 4.485 4.170 -0.000 0.000 0.297 284 I C 0.724 177.000 176.117 0.265 0.000 1.143 284 I CA -0.525 60.989 61.300 0.357 0.000 1.271 284 I CB -0.687 37.503 38.000 0.317 0.000 1.461 284 I HN 0.610 nan 8.210 nan 0.000 0.530 285 A N 4.705 127.656 122.820 0.218 0.000 2.260 285 A HA 0.635 4.954 4.320 -0.000 0.000 0.308 285 A C 1.321 179.017 177.584 0.187 0.000 1.254 285 A CA -0.160 51.982 52.037 0.175 0.000 0.874 285 A CB 0.989 20.064 19.000 0.125 0.000 1.153 285 A HN 0.782 nan 8.150 nan 0.000 0.527 286 A N 2.837 125.755 122.820 0.163 0.000 1.997 286 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 286 A C 1.693 179.371 177.584 0.158 0.000 1.172 286 A CA 1.959 54.086 52.037 0.151 0.000 0.645 286 A CB -0.568 18.495 19.000 0.106 0.000 0.813 286 A HN 0.975 nan 8.150 nan 0.000 0.454 287 N N -0.332 118.445 118.700 0.127 0.000 2.461 287 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 287 N C 0.523 176.107 175.510 0.123 0.000 1.134 287 N CA 0.852 53.968 53.050 0.110 0.000 0.878 287 N CB -0.009 38.522 38.487 0.074 0.000 0.972 287 N HN 0.639 nan 8.380 nan 0.000 0.456 288 M N -2.604 117.092 119.600 0.160 0.000 3.600 288 M HA 0.208 4.688 4.480 -0.000 0.000 0.397 288 M C -0.329 176.097 176.300 0.210 0.000 1.860 288 M CA -0.730 54.658 55.300 0.148 0.000 0.514 288 M CB -0.695 31.964 32.600 0.098 0.000 1.473 288 M HN 0.089 nan 8.290 nan 0.000 0.485 289 W N 3.129 124.467 121.300 0.064 0.000 2.481 289 W HA 0.159 4.819 4.660 0.001 0.000 0.293 289 W C -1.469 175.088 176.519 0.064 0.000 1.201 289 W CA 1.183 58.572 57.345 0.073 0.000 1.328 289 W CB -0.875 28.630 29.460 0.074 0.000 1.112 289 W HN 0.321 nan 8.180 nan 0.000 0.546 290 P HA -0.187 nan 4.420 nan 0.000 0.218 290 P C 1.246 178.408 177.300 -0.230 0.000 1.149 290 P CA 2.077 65.006 63.100 -0.284 0.000 0.817 290 P CB -0.130 31.530 31.700 -0.066 0.000 0.785 291 Q N -0.730 119.007 119.800 -0.104 0.000 2.124 291 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 291 Q C 2.111 178.005 176.000 -0.177 0.000 0.977 291 Q CA 1.278 57.049 55.803 -0.053 0.000 0.850 291 Q CB -0.876 27.890 28.738 0.048 0.000 0.901 291 Q HN 0.280 nan 8.270 nan 0.000 0.429 292 I N -0.722 119.735 120.570 -0.188 0.000 2.315 292 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 292 I C 1.784 177.676 176.117 -0.375 0.000 1.117 292 I CA 0.549 61.737 61.300 -0.188 0.000 1.404 292 I CB -0.180 37.828 38.000 0.013 0.000 1.071 292 I HN 0.279 nan 8.210 nan 0.000 0.419 293 C N 0.600 119.565 119.300 -0.558 0.000 2.432 293 C HA -0.124 4.336 4.460 -0.000 0.000 0.280 293 C C 2.351 177.092 174.990 -0.415 0.000 1.353 293 C CA 0.573 59.259 59.018 -0.555 0.000 1.766 293 C CB -0.985 26.360 27.740 -0.658 0.000 1.924 293 C HN 0.515 nan 8.230 nan 0.000 0.509 294 D N 0.174 120.347 120.400 -0.378 0.000 2.123 294 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 294 D C 2.072 178.025 176.300 -0.577 0.000 0.976 294 D CA 0.954 54.759 54.000 -0.326 0.000 0.831 294 D CB -0.442 40.276 40.800 -0.136 0.000 0.974 294 D HN 0.470 nan 8.370 nan 0.000 0.469 295 M N -0.000 118.996 119.600 -1.007 0.000 2.123 295 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 295 M C 1.897 177.885 176.300 -0.520 0.000 1.069 295 M CA 0.980 55.556 55.300 -1.206 0.000 1.133 295 M CB 0.077 31.941 32.600 -1.228 0.000 1.356 295 M HN -0.087 nan 8.290 nan 0.000 0.415 296 I N 1.476 121.823 120.570 -0.372 0.000 2.830 296 I HA -0.143 4.026 4.170 -0.000 0.000 0.263 296 I C -0.380 175.662 176.117 -0.126 0.000 1.230 296 I CA 1.001 62.195 61.300 -0.177 0.000 1.480 296 I CB -0.573 37.359 38.000 -0.114 0.000 1.095 296 I HN 0.412 nan 8.210 nan 0.000 0.455 297 D N 1.118 121.392 120.400 -0.210 0.000 2.716 297 D HA -0.179 4.460 4.640 -0.000 0.000 0.239 297 D C -0.181 175.942 176.300 -0.296 0.000 1.125 297 D CA 0.511 54.404 54.000 -0.179 0.000 0.681 297 D CB -1.047 39.720 40.800 -0.056 0.000 1.070 297 D HN 0.262 nan 8.370 nan 0.000 0.432 298 K N 0.260 120.365 120.400 -0.492 0.000 2.646 298 K HA 0.219 4.539 4.320 -0.000 0.000 0.210 298 K C -1.918 174.286 176.600 -0.660 0.000 1.020 298 K CA -1.386 54.413 56.287 -0.814 0.000 1.040 298 K CB 1.966 33.481 32.500 -1.642 0.000 1.253 298 K HN 0.008 nan 8.250 nan 0.000 0.532 299 P HA 0.005 nan 4.420 nan 0.000 0.241 299 P C 0.220 177.389 177.300 -0.218 0.000 1.191 299 P CA 0.565 63.500 63.100 -0.275 0.000 0.771 299 P CB 0.595 32.184 31.700 -0.184 0.000 0.929 300 E N -1.128 118.884 120.200 -0.313 0.000 2.274 300 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 300 E C 1.285 177.912 176.600 0.045 0.000 0.996 300 E CA 0.852 57.159 56.400 -0.156 0.000 0.840 300 E CB -0.563 29.021 29.700 -0.193 0.000 0.772 300 E HN 0.320 nan 8.360 nan 0.000 0.491 301 W N 0.987 122.195 121.300 -0.154 0.000 2.770 301 W HA 0.157 4.819 4.660 0.003 0.000 0.256 301 W C 1.361 178.018 176.519 0.229 0.000 1.291 301 W CA 0.048 57.365 57.345 -0.046 0.000 1.396 301 W CB -0.297 29.058 29.460 -0.175 0.000 1.114 301 W HN 0.044 nan 8.180 nan 0.000 0.637 302 K N 0.543 121.117 120.400 0.290 0.000 2.057 302 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 302 K C 1.473 178.215 176.600 0.237 0.000 1.050 302 K CA 1.816 58.267 56.287 0.273 0.000 0.935 302 K CB -0.378 32.170 32.500 0.081 0.000 0.715 302 K HN -0.126 nan 8.250 nan 0.000 0.439 303 D N 0.761 121.260 120.400 0.165 0.000 2.149 303 D HA -0.104 4.535 4.640 -0.000 0.000 0.201 303 D C 0.267 176.657 176.300 0.150 0.000 0.972 303 D CA 0.771 54.847 54.000 0.126 0.000 0.835 303 D CB -0.363 40.486 40.800 0.082 0.000 0.966 303 D HN 0.133 nan 8.370 nan 0.000 0.476 304 D N 1.086 121.614 120.400 0.213 0.000 2.401 304 D HA -0.010 4.629 4.640 -0.000 0.000 0.254 304 D C -1.445 174.959 176.300 0.172 0.000 1.192 304 D CA -1.428 52.705 54.000 0.220 0.000 0.885 304 D CB 1.876 42.901 40.800 0.374 0.000 1.147 304 D HN 0.001 nan 8.370 nan 0.000 0.478 305 P HA -0.045 nan 4.420 nan 0.000 0.223 305 P C 0.588 177.858 177.300 -0.049 0.000 1.151 305 P CA 0.459 63.573 63.100 0.024 0.000 0.787 305 P CB 0.224 31.927 31.700 0.006 0.000 0.788 306 A N -2.278 120.490 122.820 -0.088 0.000 2.327 306 A HA 0.108 4.428 4.320 -0.000 0.000 0.228 306 A C 1.043 178.337 177.584 -0.484 0.000 1.275 306 A CA 0.209 52.087 52.037 -0.265 0.000 0.875 306 A CB -1.070 17.754 19.000 -0.293 0.000 0.925 306 A HN 0.153 nan 8.150 nan 0.000 0.493 307 Y N -1.170 119.002 120.300 -0.213 0.000 2.435 307 Y HA 0.045 4.595 4.550 0.001 0.000 0.270 307 Y C 1.863 177.473 175.900 -0.484 0.000 1.093 307 Y CA 0.166 58.066 58.100 -0.333 0.000 1.226 307 Y CB 0.530 38.897 38.460 -0.157 0.000 1.289 307 Y HN 0.505 nan 8.280 nan 0.000 0.529 308 N N 0.462 119.091 118.700 -0.118 0.000 2.336 308 N HA 0.018 4.758 4.740 -0.000 0.000 0.189 308 N C -0.005 175.322 175.510 -0.306 0.000 1.113 308 N CA 0.803 53.744 53.050 -0.183 0.000 0.858 308 N CB -0.048 38.548 38.487 0.181 0.000 0.970 308 N HN 0.190 nan 8.380 nan 0.000 0.471 309 T N -4.365 110.012 114.554 -0.296 0.000 2.906 309 T HA 0.363 4.712 4.350 -0.000 0.000 0.295 309 T C 0.486 175.067 174.700 -0.200 0.000 1.075 309 T CA -0.902 61.091 62.100 -0.179 0.000 1.005 309 T CB 0.972 69.793 68.868 -0.078 0.000 1.136 309 T HN -0.067 nan 8.240 nan 0.000 0.498 310 F N 1.483 121.306 119.950 -0.212 0.000 2.095 310 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 310 F C 2.152 177.843 175.800 -0.182 0.000 1.104 310 F CA 1.831 59.719 58.000 -0.186 0.000 1.232 310 F CB -0.164 38.768 39.000 -0.112 0.000 0.987 310 F HN 0.680 nan 8.300 nan 0.000 0.475 311 E N 0.014 120.251 120.200 0.062 0.000 2.150 311 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 311 E C 2.382 178.868 176.600 -0.190 0.000 0.985 311 E CA 1.171 57.552 56.400 -0.032 0.000 0.814 311 E CB -0.890 28.822 29.700 0.021 0.000 0.752 311 E HN 0.511 nan 8.360 nan 0.000 0.466 312 G N -0.095 108.571 108.800 -0.224 0.000 2.430 312 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 312 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 312 G C 1.624 176.259 174.900 -0.442 0.000 1.146 312 G CA 0.283 45.205 45.100 -0.298 0.000 0.793 312 G HN 0.126 nan 8.290 nan 0.000 0.537 313 R N 0.493 120.693 120.500 -0.500 0.000 2.276 313 R HA 0.087 4.427 4.340 -0.000 0.000 0.196 313 R C 2.050 178.005 176.300 -0.577 0.000 0.961 313 R CA 0.604 56.344 56.100 -0.600 0.000 1.024 313 R CB 0.093 29.989 30.300 -0.674 0.000 0.940 313 R HN 0.288 nan 8.270 nan 0.000 0.480 314 V N -0.721 118.844 119.914 -0.583 0.000 3.636 314 V HA 0.077 4.197 4.120 -0.000 0.000 0.279 314 V C 0.114 175.981 176.094 -0.379 0.000 1.263 314 V CA 0.879 62.854 62.300 -0.542 0.000 1.182 314 V CB 0.006 31.421 31.823 -0.680 0.000 0.955 314 V HN 0.277 nan 8.190 nan 0.000 0.443 315 D N -0.971 119.202 120.400 -0.378 0.000 2.500 315 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 315 D C 1.042 177.135 176.300 -0.346 0.000 1.159 315 D CA -0.002 53.810 54.000 -0.313 0.000 0.828 315 D CB -0.014 40.630 40.800 -0.261 0.000 1.039 315 D HN 0.398 nan 8.370 nan 0.000 0.512 316 K N 0.670 120.809 120.400 -0.435 0.000 2.681 316 K HA 0.226 4.545 4.320 -0.000 0.000 0.211 316 K C 0.817 177.167 176.600 -0.415 0.000 1.075 316 K CA -0.311 55.718 56.287 -0.430 0.000 1.141 316 K CB 1.136 33.278 32.500 -0.597 0.000 0.896 316 K HN 0.093 nan 8.250 nan 0.000 0.470 317 L N 0.405 121.378 121.223 -0.415 0.000 2.130 317 L HA 0.108 4.447 4.340 -0.000 0.000 0.200 317 L C 1.690 178.285 176.870 -0.458 0.000 1.075 317 L CA 1.448 56.016 54.840 -0.454 0.000 0.768 317 L CB -0.095 41.756 42.059 -0.347 0.000 0.933 317 L HN 0.053 nan 8.230 nan 0.000 0.451 318 M N -0.647 118.672 119.600 -0.469 0.000 2.492 318 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 318 M C 1.357 177.476 176.300 -0.302 0.000 1.090 318 M CA 0.698 55.675 55.300 -0.540 0.000 1.110 318 M CB -1.091 30.753 32.600 -1.260 0.000 1.407 318 M HN 0.213 nan 8.290 nan 0.000 0.470 319 D N 0.738 120.984 120.400 -0.257 0.000 2.149 319 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 319 D C 2.149 178.380 176.300 -0.116 0.000 0.972 319 D CA 1.055 54.976 54.000 -0.131 0.000 0.835 319 D CB 0.043 40.766 40.800 -0.129 0.000 0.966 319 D HN 0.362 nan 8.370 nan 0.000 0.476 320 I N -0.156 120.248 120.570 -0.276 0.000 2.286 320 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 320 I C 2.075 178.067 176.117 -0.209 0.000 1.104 320 I CA 0.745 61.868 61.300 -0.294 0.000 1.397 320 I CB -0.219 37.480 38.000 -0.501 0.000 1.072 320 I HN -0.115 nan 8.210 nan 0.000 0.417 321 F N 0.566 120.440 119.950 -0.127 0.000 2.186 321 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 321 F C 2.784 178.512 175.800 -0.120 0.000 1.090 321 F CA 0.932 58.842 58.000 -0.151 0.000 1.307 321 F CB -0.389 38.491 39.000 -0.201 0.000 1.019 321 F HN -0.067 nan 8.300 nan 0.000 0.489 322 S N 0.156 115.903 115.700 0.079 0.000 2.383 322 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 322 S C 1.753 176.384 174.600 0.052 0.000 1.030 322 S CA 1.263 59.501 58.200 0.064 0.000 1.002 322 S CB -0.576 62.668 63.200 0.073 0.000 0.829 322 S HN 0.375 nan 8.310 nan 0.000 0.467 323 F N 1.911 121.827 119.950 -0.057 0.000 2.098 323 F HA 0.017 4.543 4.527 -0.002 0.000 0.294 323 F C 1.867 177.566 175.800 -0.167 0.000 1.107 323 F CA 1.177 59.142 58.000 -0.058 0.000 1.234 323 F CB -0.314 38.707 39.000 0.035 0.000 1.002 323 F HN 0.082 nan 8.300 nan 0.000 0.472 324 I N 0.405 120.923 120.570 -0.088 0.000 2.264 324 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 324 I C 2.409 178.018 176.117 -0.846 0.000 1.111 324 I CA 1.783 62.802 61.300 -0.468 0.000 1.382 324 I CB -0.621 37.006 38.000 -0.623 0.000 1.060 324 I HN 0.300 nan 8.210 nan 0.000 0.418 325 E N 0.716 120.595 120.200 -0.534 0.000 2.204 325 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 325 E C 2.115 178.518 176.600 -0.328 0.000 0.990 325 E CA 1.772 57.914 56.400 -0.429 0.000 0.821 325 E CB 0.053 29.682 29.700 -0.118 0.000 0.750 325 E HN 0.612 nan 8.360 nan 0.000 0.477 326 T N -0.428 113.929 114.554 -0.329 0.000 2.833 326 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 326 T C 1.628 176.219 174.700 -0.181 0.000 1.054 326 T CA 1.460 63.419 62.100 -0.236 0.000 1.135 326 T CB -0.305 68.375 68.868 -0.314 0.000 0.869 326 T HN 0.255 nan 8.240 nan 0.000 0.466 327 K N -0.237 120.013 120.400 -0.250 0.000 2.410 327 K HA 0.263 4.583 4.320 -0.000 0.000 0.200 327 K C 0.291 177.091 176.600 0.333 0.000 1.023 327 K CA -0.303 55.982 56.287 -0.003 0.000 1.149 327 K CB 0.032 32.555 32.500 0.037 0.000 0.859 327 K HN 0.238 nan 8.250 nan 0.000 0.514 328 F N 0.847 120.872 119.950 0.124 0.000 2.664 328 F HA 0.390 4.917 4.527 -0.001 0.000 0.303 328 F C 1.966 177.818 175.800 0.086 0.000 1.092 328 F CA -1.346 56.745 58.000 0.151 0.000 1.305 328 F CB -0.051 39.027 39.000 0.130 0.000 1.054 328 F HN 0.124 nan 8.300 nan 0.000 0.565 329 A N -0.360 122.591 122.820 0.218 0.000 1.972 329 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 329 A C 1.837 179.497 177.584 0.128 0.000 1.169 329 A CA 2.153 54.285 52.037 0.157 0.000 0.635 329 A CB -0.402 18.657 19.000 0.099 0.000 0.810 329 A HN 0.190 nan 8.150 nan 0.000 0.446 330 D N -1.104 119.355 120.400 0.098 0.000 2.395 330 D HA 0.204 4.844 4.640 -0.000 0.000 0.213 330 D C -0.217 176.107 176.300 0.040 0.000 1.110 330 D CA 0.238 54.268 54.000 0.050 0.000 0.835 330 D CB 0.169 40.977 40.800 0.014 0.000 0.965 330 D HN 0.381 nan 8.370 nan 0.000 0.505 331 K N 0.737 121.179 120.400 0.070 0.000 2.316 331 K HA 0.297 4.617 4.320 -0.000 0.000 0.251 331 K C -0.575 176.056 176.600 0.051 0.000 0.934 331 K CA -0.980 55.335 56.287 0.047 0.000 0.802 331 K CB 1.890 34.418 32.500 0.046 0.000 1.171 331 K HN -0.073 nan 8.250 nan 0.000 0.426 332 D N 0.958 121.385 120.400 0.045 0.000 2.377 332 D HA -0.024 4.616 4.640 -0.000 0.000 0.245 332 D C 0.863 177.150 176.300 -0.022 0.000 1.196 332 D CA -0.421 53.600 54.000 0.035 0.000 0.962 332 D CB 0.764 41.617 40.800 0.088 0.000 1.127 332 D HN 0.544 nan 8.370 nan 0.000 0.471 333 K N -0.190 120.130 120.400 -0.132 0.000 2.147 333 K HA -0.173 4.146 4.320 -0.000 0.000 0.205 333 K C 1.514 177.950 176.600 -0.273 0.000 1.049 333 K CA 1.099 57.231 56.287 -0.260 0.000 0.936 333 K CB -0.509 31.764 32.500 -0.379 0.000 0.722 333 K HN 0.360 nan 8.250 nan 0.000 0.446 334 F N 2.314 122.279 119.950 0.025 0.000 2.206 334 F HA 0.038 4.565 4.527 -0.001 0.000 0.298 334 F C 2.255 178.074 175.800 0.032 0.000 1.090 334 F CA 0.979 58.996 58.000 0.028 0.000 1.323 334 F CB -0.345 38.671 39.000 0.027 0.000 1.028 334 F HN 0.055 nan 8.300 nan 0.000 0.492 335 E N 0.164 120.479 120.200 0.191 0.000 2.110 335 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 335 E C 2.345 179.030 176.600 0.143 0.000 0.988 335 E CA 1.413 57.891 56.400 0.130 0.000 0.804 335 E CB -0.302 29.443 29.700 0.075 0.000 0.745 335 E HN 0.188 nan 8.360 nan 0.000 0.458 336 V N 0.978 120.929 119.914 0.063 0.000 2.427 336 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 336 V C 2.250 178.360 176.094 0.027 0.000 1.051 336 V CA 1.970 64.269 62.300 -0.003 0.000 1.048 336 V CB -0.588 30.968 31.823 -0.445 0.000 0.666 336 V HN 0.312 nan 8.190 nan 0.000 0.456 337 T N -0.653 113.913 114.554 0.022 0.000 2.777 337 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 337 T C 1.886 176.653 174.700 0.111 0.000 1.040 337 T CA 1.678 63.808 62.100 0.051 0.000 1.141 337 T CB -0.150 68.757 68.868 0.065 0.000 0.868 337 T HN 0.569 nan 8.240 nan 0.000 0.444 338 E N -0.616 119.677 120.200 0.156 0.000 2.107 338 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 338 E C 1.971 178.708 176.600 0.228 0.000 0.982 338 E CA 0.747 57.242 56.400 0.159 0.000 0.809 338 E CB -0.102 29.684 29.700 0.143 0.000 0.756 338 E HN 0.579 nan 8.360 nan 0.000 0.459 339 W N 1.310 122.652 121.300 0.070 0.000 2.363 339 W HA -0.078 4.581 4.660 -0.002 0.000 0.296 339 W C 2.016 178.679 176.519 0.240 0.000 1.212 339 W CA 1.899 59.322 57.345 0.130 0.000 1.260 339 W CB -0.606 28.935 29.460 0.135 0.000 1.131 339 W HN 0.107 nan 8.180 nan 0.000 0.530 340 A N 0.450 123.357 122.820 0.145 0.000 1.897 340 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 340 A C 2.144 179.799 177.584 0.119 0.000 1.181 340 A CA 2.155 54.236 52.037 0.073 0.000 0.620 340 A CB -1.395 17.616 19.000 0.018 0.000 0.821 340 A HN 0.314 nan 8.150 nan 0.000 0.443 341 A N -0.534 122.338 122.820 0.086 0.000 2.070 341 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 341 A C 2.013 179.609 177.584 0.020 0.000 1.159 341 A CA 1.600 53.669 52.037 0.052 0.000 0.656 341 A CB -0.538 18.493 19.000 0.051 0.000 0.800 341 A HN 0.673 nan 8.150 nan 0.000 0.453 342 Q N -1.605 118.186 119.800 -0.015 0.000 2.135 342 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 342 Q C 0.815 176.641 176.000 -0.290 0.000 0.981 342 Q CA 1.822 57.511 55.803 -0.191 0.000 0.856 342 Q CB -0.274 28.269 28.738 -0.325 0.000 0.902 342 Q HN 0.910 nan 8.270 nan 0.000 0.425 343 Y N -1.093 119.200 120.300 -0.012 0.000 2.493 343 Y HA 0.282 4.831 4.550 -0.001 0.000 0.275 343 Y C 1.292 177.178 175.900 -0.024 0.000 1.183 343 Y CA 0.151 58.236 58.100 -0.026 0.000 1.258 343 Y CB 0.457 38.881 38.460 -0.059 0.000 1.108 343 Y HN 0.138 nan 8.280 nan 0.000 0.521 344 G N 1.198 110.047 108.800 0.083 0.000 2.198 344 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.260 344 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.260 344 G C 0.068 174.992 174.900 0.039 0.000 1.025 344 G CA 0.095 45.225 45.100 0.050 0.000 0.769 344 G HN 0.402 nan 8.290 nan 0.000 0.507 345 I N 1.635 122.223 120.570 0.029 0.000 2.474 345 I HA 0.260 4.429 4.170 -0.000 0.000 0.287 345 I C -1.409 174.652 176.117 -0.093 0.000 1.048 345 I CA -2.121 59.148 61.300 -0.052 0.000 1.383 345 I CB 1.156 39.084 38.000 -0.120 0.000 1.412 345 I HN -0.064 nan 8.210 nan 0.000 0.531 346 P HA 0.114 nan 4.420 nan 0.000 0.266 346 P C -0.885 176.325 177.300 -0.151 0.000 1.586 346 P CA -0.197 62.857 63.100 -0.077 0.000 1.088 346 P CB 0.311 32.001 31.700 -0.015 0.000 1.584 347 C N 3.395 122.622 119.300 -0.122 0.000 2.482 347 C HA 0.891 5.350 4.460 -0.000 0.000 0.317 347 C C 0.061 175.057 174.990 0.010 0.000 1.197 347 C CA -0.087 58.874 59.018 -0.095 0.000 1.432 347 C CB 1.103 28.752 27.740 -0.151 0.000 2.062 347 C HN 0.652 nan 8.230 nan 0.000 0.471 348 G N 5.654 114.493 108.800 0.066 0.000 2.667 348 G HA2 0.772 4.731 3.960 -0.000 0.000 0.298 348 G HA3 0.772 4.731 3.960 -0.000 0.000 0.298 348 G C -3.313 171.621 174.900 0.056 0.000 1.377 348 G CA -0.908 44.229 45.100 0.061 0.000 0.964 348 G HN 0.622 nan 8.290 nan 0.000 0.493 349 P HA 0.304 nan 4.420 nan 0.000 0.282 349 P C -0.020 177.269 177.300 -0.018 0.000 1.249 349 P CA -0.405 62.650 63.100 -0.075 0.000 0.806 349 P CB 1.902 33.429 31.700 -0.287 0.000 0.984 350 V N 4.494 124.411 119.914 0.005 0.000 2.421 350 V HA 0.027 4.147 4.120 -0.000 0.000 0.271 350 V C 0.981 177.078 176.094 0.005 0.000 1.031 350 V CA 0.354 62.668 62.300 0.023 0.000 1.032 350 V CB -0.520 31.341 31.823 0.063 0.000 1.009 350 V HN 0.474 nan 8.190 nan 0.000 0.477 351 M N 4.886 124.499 119.600 0.022 0.000 2.120 351 M HA 0.252 4.732 4.480 -0.000 0.000 0.354 351 M C 0.621 176.950 176.300 0.049 0.000 1.287 351 M CA 0.242 55.576 55.300 0.056 0.000 1.103 351 M CB 1.046 33.688 32.600 0.070 0.000 1.623 351 M HN 0.772 nan 8.290 nan 0.000 0.471 352 S N 3.379 119.121 115.700 0.070 0.000 2.593 352 S HA 0.276 4.746 4.470 -0.000 0.000 0.269 352 S C 1.247 175.875 174.600 0.047 0.000 1.334 352 S CA -0.654 57.583 58.200 0.061 0.000 1.015 352 S CB 0.974 64.224 63.200 0.083 0.000 0.912 352 S HN 0.642 nan 8.310 nan 0.000 0.541 353 M N 1.457 121.075 119.600 0.030 0.000 2.229 353 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 353 M C 2.088 178.392 176.300 0.006 0.000 1.063 353 M CA 1.814 57.117 55.300 0.006 0.000 1.114 353 M CB -1.641 30.958 32.600 -0.003 0.000 1.387 353 M HN 0.977 nan 8.290 nan 0.000 0.420 354 K N 0.208 120.645 120.400 0.060 0.000 2.097 354 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 354 K C 1.602 178.299 176.600 0.161 0.000 1.050 354 K CA 1.351 57.716 56.287 0.130 0.000 0.938 354 K CB -0.366 32.232 32.500 0.162 0.000 0.718 354 K HN 0.323 nan 8.250 nan 0.000 0.442 355 E N 1.159 121.431 120.200 0.121 0.000 2.077 355 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 355 E C 2.098 178.735 176.600 0.062 0.000 0.989 355 E CA 1.253 57.727 56.400 0.124 0.000 0.800 355 E CB -0.113 29.686 29.700 0.166 0.000 0.746 355 E HN 0.273 nan 8.360 nan 0.000 0.452 356 L N 0.393 121.627 121.223 0.017 0.000 2.056 356 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 356 L C 2.552 179.357 176.870 -0.110 0.000 1.078 356 L CA 0.867 55.689 54.840 -0.029 0.000 0.749 356 L CB -0.407 41.635 42.059 -0.029 0.000 0.901 356 L HN 0.142 nan 8.230 nan 0.000 0.433 357 A N -0.485 122.204 122.820 -0.219 0.000 1.978 357 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 357 A C 1.440 178.666 177.584 -0.596 0.000 1.170 357 A CA 1.687 53.450 52.037 -0.457 0.000 0.636 357 A CB -0.724 17.884 19.000 -0.654 0.000 0.810 357 A HN 0.614 nan 8.150 nan 0.000 0.448 358 H N -1.861 117.209 119.070 0.001 0.000 2.662 358 H HA 0.234 4.790 4.556 -0.000 0.000 0.268 358 H C -0.603 174.717 175.328 -0.013 0.000 1.152 358 H CA -0.472 55.572 56.048 -0.006 0.000 1.072 358 H CB 0.196 29.957 29.762 -0.001 0.000 1.660 358 H HN 0.403 nan 8.280 nan 0.000 0.584 359 D N 2.837 123.256 120.400 0.031 0.000 2.401 359 D HA -0.008 4.631 4.640 -0.000 0.000 0.254 359 D C -1.097 175.202 176.300 -0.002 0.000 1.192 359 D CA -1.867 52.141 54.000 0.013 0.000 0.885 359 D CB 1.333 42.134 40.800 0.000 0.000 1.147 359 D HN 0.098 nan 8.370 nan 0.000 0.478 360 P HA -0.148 nan 4.420 nan 0.000 0.216 360 P C 1.213 178.498 177.300 -0.025 0.000 1.150 360 P CA 0.762 63.853 63.100 -0.015 0.000 0.837 360 P CB 0.224 31.912 31.700 -0.020 0.000 0.786 361 S N 0.142 115.826 115.700 -0.027 0.000 2.359 361 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 361 S C 2.037 176.616 174.600 -0.035 0.000 1.035 361 S CA 1.140 59.322 58.200 -0.029 0.000 1.018 361 S CB -1.091 62.095 63.200 -0.025 0.000 0.876 361 S HN 0.130 nan 8.310 nan 0.000 0.448 362 L N 1.039 122.240 121.223 -0.036 0.000 2.131 362 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 362 L C 2.639 179.474 176.870 -0.058 0.000 1.092 362 L CA 1.151 55.962 54.840 -0.048 0.000 0.759 362 L CB -0.445 41.585 42.059 -0.049 0.000 0.903 362 L HN 0.367 nan 8.230 nan 0.000 0.435 363 Q N -0.381 119.388 119.800 -0.052 0.000 2.187 363 Q HA -0.140 4.200 4.340 -0.000 0.000 0.199 363 Q C 2.156 178.121 176.000 -0.059 0.000 0.957 363 Q CA 0.892 56.660 55.803 -0.058 0.000 0.857 363 Q CB 0.116 28.827 28.738 -0.046 0.000 0.929 363 Q HN 0.417 nan 8.270 nan 0.000 0.453 364 K N 0.316 120.686 120.400 -0.049 0.000 2.097 364 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 364 K C 1.993 178.560 176.600 -0.056 0.000 1.049 364 K CA 1.628 57.886 56.287 -0.048 0.000 0.933 364 K CB -0.048 32.428 32.500 -0.039 0.000 0.717 364 K HN 0.208 nan 8.250 nan 0.000 0.442 365 V N -2.562 117.317 119.914 -0.058 0.000 3.623 365 V HA 0.279 4.398 4.120 -0.000 0.000 0.271 365 V C 0.940 176.985 176.094 -0.082 0.000 1.248 365 V CA 0.631 62.892 62.300 -0.064 0.000 1.156 365 V CB -0.403 31.385 31.823 -0.058 0.000 0.870 365 V HN 0.422 nan 8.190 nan 0.000 0.453 366 G N 0.195 108.940 108.800 -0.092 0.000 2.147 366 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 366 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 366 G C 0.486 175.310 174.900 -0.126 0.000 1.005 366 G CA 0.763 45.792 45.100 -0.119 0.000 0.713 366 G HN 0.547 nan 8.290 nan 0.000 0.515 367 T N -0.873 113.617 114.554 -0.106 0.000 2.939 367 T HA 0.255 4.605 4.350 -0.000 0.000 0.254 367 T C 1.183 175.822 174.700 -0.101 0.000 1.041 367 T CA 1.075 63.111 62.100 -0.106 0.000 1.142 367 T CB 0.452 69.264 68.868 -0.093 0.000 0.874 367 T HN 0.295 nan 8.240 nan 0.000 0.452 368 V N 2.937 122.794 119.914 -0.094 0.000 2.370 368 V HA 0.454 4.574 4.120 -0.000 0.000 0.279 368 V C -0.502 175.531 176.094 -0.103 0.000 1.029 368 V CA -0.607 61.637 62.300 -0.094 0.000 0.870 368 V CB 1.436 33.206 31.823 -0.088 0.000 0.984 368 V HN 0.066 nan 8.190 nan 0.000 0.451 369 V N 4.365 124.209 119.914 -0.116 0.000 2.487 369 V HA 0.382 4.501 4.120 -0.000 0.000 0.298 369 V C -0.035 175.976 176.094 -0.139 0.000 1.028 369 V CA -0.805 61.412 62.300 -0.139 0.000 0.860 369 V CB 1.915 33.622 31.823 -0.193 0.000 0.991 369 V HN 0.970 nan 8.190 nan 0.000 0.427 370 E N 3.968 124.091 120.200 -0.127 0.000 2.180 370 E HA 0.384 4.734 4.350 -0.000 0.000 0.283 370 E C -0.913 175.575 176.600 -0.187 0.000 1.061 370 E CA -0.354 55.963 56.400 -0.139 0.000 0.861 370 E CB 1.263 30.911 29.700 -0.086 0.000 1.056 370 E HN 0.501 nan 8.360 nan 0.000 0.407 371 V N 5.580 125.310 119.914 -0.308 0.000 2.461 371 V HA 0.072 4.192 4.120 -0.000 0.000 0.275 371 V C 0.029 175.993 176.094 -0.216 0.000 1.047 371 V CA -0.711 61.397 62.300 -0.320 0.000 0.955 371 V CB 1.427 32.912 31.823 -0.565 0.000 0.988 371 V HN 0.547 nan 8.190 nan 0.000 0.471 372 V N 4.693 124.537 119.914 -0.117 0.000 2.370 372 V HA 0.174 4.293 4.120 -0.000 0.000 0.257 372 V C 0.177 176.260 176.094 -0.018 0.000 1.064 372 V CA 0.059 62.325 62.300 -0.056 0.000 0.975 372 V CB 0.643 32.444 31.823 -0.037 0.000 1.067 372 V HN 0.882 nan 8.190 nan 0.000 0.485 373 D N 4.519 124.924 120.400 0.008 0.000 2.446 373 D HA 0.154 4.794 4.640 -0.000 0.000 0.251 373 D C 1.194 177.532 176.300 0.063 0.000 1.137 373 D CA -0.465 53.575 54.000 0.066 0.000 0.890 373 D CB 1.485 42.370 40.800 0.143 0.000 1.071 373 D HN 0.639 nan 8.370 nan 0.000 0.528 374 E N 4.230 124.461 120.200 0.052 0.000 2.347 374 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 374 E C 1.180 177.809 176.600 0.049 0.000 1.008 374 E CA 0.395 56.821 56.400 0.043 0.000 0.852 374 E CB 0.212 29.932 29.700 0.033 0.000 0.783 374 E HN 0.431 nan 8.360 nan 0.000 0.505 375 I N 1.073 121.681 120.570 0.063 0.000 2.339 375 I HA -0.034 4.136 4.170 -0.000 0.000 0.245 375 I C 2.285 178.442 176.117 0.066 0.000 1.096 375 I CA 0.834 62.171 61.300 0.061 0.000 1.408 375 I CB -0.579 37.462 38.000 0.069 0.000 1.092 375 I HN 0.114 nan 8.210 nan 0.000 0.423 376 R N 0.489 121.041 120.500 0.088 0.000 2.308 376 R HA 0.363 4.703 4.340 -0.000 0.000 0.202 376 R C 0.536 176.892 176.300 0.092 0.000 0.898 376 R CA 0.510 56.666 56.100 0.093 0.000 1.046 376 R CB 0.477 30.849 30.300 0.120 0.000 1.026 376 R HN 0.389 nan 8.270 nan 0.000 0.512 377 G N 1.810 110.663 108.800 0.089 0.000 2.692 377 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.686 377 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.686 377 G C -1.085 173.879 174.900 0.108 0.000 1.243 377 G CA -1.030 44.118 45.100 0.080 0.000 0.782 377 G HN 0.131 nan 8.290 nan 0.000 0.625 378 N N 0.802 119.543 118.700 0.069 0.000 2.453 378 N HA 0.538 5.278 4.740 -0.000 0.000 0.253 378 N C 0.504 176.072 175.510 0.096 0.000 1.252 378 N CA 0.920 53.990 53.050 0.033 0.000 0.917 378 N CB 0.651 39.130 38.487 -0.014 0.000 1.117 378 N HN 1.052 nan 8.380 nan 0.000 0.442 379 H N -2.148 116.938 119.070 0.026 0.000 2.985 379 H HA 0.615 5.171 4.556 -0.000 0.000 0.360 379 H C -1.116 174.213 175.328 0.003 0.000 1.221 379 H CA -1.010 55.052 56.048 0.024 0.000 1.121 379 H CB 0.499 30.282 29.762 0.035 0.000 1.854 379 H HN 0.254 nan 8.280 nan 0.000 0.551 380 L N 0.887 122.169 121.223 0.099 0.000 2.379 380 L HA 0.579 4.919 4.340 -0.000 0.000 0.269 380 L C 0.358 177.303 176.870 0.126 0.000 1.084 380 L CA -0.380 54.471 54.840 0.019 0.000 0.802 380 L CB 1.716 43.767 42.059 -0.013 0.000 1.175 380 L HN 0.857 nan 8.230 nan 0.000 0.448 381 T N 0.587 115.148 114.554 0.013 0.000 2.812 381 T HA 0.520 4.870 4.350 -0.000 0.000 0.294 381 T C -1.123 173.550 174.700 -0.045 0.000 1.159 381 T CA -0.403 61.709 62.100 0.020 0.000 1.008 381 T CB 1.799 70.721 68.868 0.089 0.000 1.289 381 T HN 0.170 nan 8.240 nan 0.000 0.514 382 V N 2.582 122.463 119.914 -0.056 0.000 2.509 382 V HA 0.613 4.732 4.120 -0.000 0.000 0.284 382 V C 1.321 177.414 176.094 -0.001 0.000 1.047 382 V CA 0.133 62.396 62.300 -0.060 0.000 0.952 382 V CB 1.060 32.832 31.823 -0.085 0.000 0.988 382 V HN 1.039 nan 8.190 nan 0.000 0.469 383 G N 2.748 111.511 108.800 -0.062 0.000 2.582 383 G HA2 0.550 4.510 3.960 -0.000 0.000 0.232 383 G HA3 0.550 4.510 3.960 -0.000 0.000 0.232 383 G C 0.016 174.925 174.900 0.015 0.000 1.458 383 G CA -0.080 44.955 45.100 -0.108 0.000 1.062 383 G HN 1.054 nan 8.290 nan 0.000 0.566 384 A N 0.587 123.390 122.820 -0.029 0.000 2.354 384 A HA 0.563 4.882 4.320 -0.000 0.000 0.281 384 A C -1.073 176.349 177.584 -0.270 0.000 1.174 384 A CA -1.105 50.911 52.037 -0.035 0.000 0.828 384 A CB 0.862 19.983 19.000 0.201 0.000 1.099 384 A HN 0.380 nan 8.150 nan 0.000 0.516 385 P HA 0.028 nan 4.420 nan 0.000 0.236 385 P C -0.295 176.728 177.300 -0.462 0.000 1.177 385 P CA 0.551 63.350 63.100 -0.502 0.000 0.773 385 P CB -0.117 31.286 31.700 -0.495 0.000 0.878 386 F N 0.768 120.732 119.950 0.024 0.000 2.410 386 F HA 0.489 5.015 4.527 -0.000 0.000 0.349 386 F C 0.734 176.460 175.800 -0.123 0.000 1.117 386 F CA -1.305 56.631 58.000 -0.106 0.000 1.104 386 F CB 0.579 39.517 39.000 -0.103 0.000 1.122 386 F HN -0.429 nan 8.300 nan 0.000 0.483 387 K N 4.069 124.401 120.400 -0.113 0.000 2.235 387 K HA 0.509 4.829 4.320 -0.000 0.000 0.266 387 K C -1.258 175.227 176.600 -0.191 0.000 0.980 387 K CA -0.567 55.684 56.287 -0.059 0.000 0.849 387 K CB 1.582 34.048 32.500 -0.057 0.000 1.098 387 K HN 0.482 nan 8.250 nan 0.000 0.445 388 F N 0.024 120.018 119.950 0.074 0.000 2.492 388 F HA 0.142 4.669 4.527 -0.000 0.000 0.327 388 F C 1.780 177.620 175.800 0.067 0.000 1.079 388 F CA -0.648 57.424 58.000 0.119 0.000 0.967 388 F CB 1.727 40.894 39.000 0.279 0.000 1.169 388 F HN 0.548 nan 8.300 nan 0.000 0.472 389 S N 0.361 116.203 115.700 0.236 0.000 2.406 389 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 389 S C 1.450 176.140 174.600 0.149 0.000 1.020 389 S CA 0.821 59.105 58.200 0.140 0.000 0.965 389 S CB -0.420 62.837 63.200 0.095 0.000 0.798 389 S HN 0.837 nan 8.310 nan 0.000 0.488 390 G N 0.353 109.282 108.800 0.214 0.000 3.899 390 G HA2 0.516 4.476 3.960 -0.000 0.000 0.293 390 G HA3 0.516 4.476 3.960 -0.000 0.000 0.293 390 G C -0.596 174.450 174.900 0.244 0.000 1.054 390 G CA -0.481 44.723 45.100 0.173 0.000 0.846 390 G HN 0.467 nan 8.290 nan 0.000 0.525 391 F N -0.212 119.771 119.950 0.055 0.000 2.704 391 F HA 0.629 5.156 4.527 -0.000 0.000 0.312 391 F C -2.223 173.602 175.800 0.042 0.000 1.108 391 F CA -1.191 56.809 58.000 -0.000 0.000 1.005 391 F CB 1.668 40.593 39.000 -0.125 0.000 1.277 391 F HN -0.041 nan 8.300 nan 0.000 0.445 392 Q N 6.307 125.708 119.800 -0.666 0.000 2.304 392 Q HA 0.609 4.949 4.340 -0.000 0.000 0.270 392 Q C -2.796 172.762 176.000 -0.737 0.000 1.035 392 Q CA -2.286 53.101 55.803 -0.692 0.000 0.781 392 Q CB 2.764 31.342 28.738 -0.267 0.000 1.261 392 Q HN 0.359 nan 8.270 nan 0.000 0.444 393 P HA 0.088 nan 4.420 nan 0.000 0.269 393 P C -1.085 176.095 177.300 -0.201 0.000 1.209 393 P CA -0.029 62.902 63.100 -0.282 0.000 0.776 393 P CB 0.588 32.143 31.700 -0.242 0.000 0.876 394 E N 2.112 122.255 120.200 -0.095 0.000 2.149 394 E HA 0.328 4.678 4.350 -0.000 0.000 0.255 394 E C -0.424 176.107 176.600 -0.115 0.000 0.888 394 E CA -0.363 55.978 56.400 -0.098 0.000 0.742 394 E CB 0.615 30.297 29.700 -0.030 0.000 1.164 394 E HN 0.380 nan 8.360 nan 0.000 0.422 395 I N 3.257 123.698 120.570 -0.216 0.000 2.352 395 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 395 I C 0.469 176.534 176.117 -0.087 0.000 1.036 395 I CA -0.208 60.952 61.300 -0.234 0.000 1.336 395 I CB 0.822 38.545 38.000 -0.463 0.000 1.407 395 I HN 0.391 nan 8.210 nan 0.000 0.497 396 T N 2.866 117.425 114.554 0.009 0.000 2.885 396 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 396 T C -0.066 174.681 174.700 0.077 0.000 1.019 396 T CA -1.183 60.937 62.100 0.033 0.000 1.010 396 T CB 1.517 70.412 68.868 0.045 0.000 1.022 396 T HN 0.681 nan 8.240 nan 0.000 0.466 397 R N 1.581 122.130 120.500 0.081 0.000 2.756 397 R HA 0.527 4.867 4.340 -0.000 0.000 0.264 397 R C 0.282 176.676 176.300 0.157 0.000 1.026 397 R CA -0.377 55.803 56.100 0.133 0.000 1.121 397 R CB -0.209 30.171 30.300 0.134 0.000 0.999 397 R HN 0.819 nan 8.270 nan 0.000 0.449 398 A N 3.600 126.527 122.820 0.178 0.000 2.407 398 A HA 0.324 4.644 4.320 -0.000 0.000 0.248 398 A C -1.924 175.829 177.584 0.282 0.000 1.082 398 A CA -1.461 50.668 52.037 0.153 0.000 0.785 398 A CB -0.255 18.748 19.000 0.004 0.000 1.020 398 A HN 0.776 nan 8.150 nan 0.000 0.489 399 P HA 0.279 nan 4.420 nan 0.000 0.275 399 P C -0.469 177.017 177.300 0.310 0.000 1.228 399 P CA -0.133 63.178 63.100 0.353 0.000 0.786 399 P CB 0.593 32.529 31.700 0.393 0.000 0.927 400 L N 1.962 123.282 121.223 0.161 0.000 2.473 400 L HA 0.104 4.443 4.340 -0.000 0.000 0.268 400 L C 1.163 178.057 176.870 0.040 0.000 1.215 400 L CA -0.863 54.014 54.840 0.063 0.000 0.823 400 L CB -0.111 41.958 42.059 0.018 0.000 1.099 400 L HN 0.292 nan 8.230 nan 0.000 0.483 401 L N 2.462 123.671 121.223 -0.024 0.000 2.534 401 L HA 0.234 4.573 4.340 -0.000 0.000 0.271 401 L C 0.969 177.847 176.870 0.013 0.000 1.178 401 L CA 1.156 55.986 54.840 -0.017 0.000 0.907 401 L CB -0.002 42.023 42.059 -0.057 0.000 1.164 401 L HN 0.764 nan 8.230 nan 0.000 0.482 402 G N 2.934 111.759 108.800 0.043 0.000 2.160 402 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.251 402 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.251 402 G C 0.882 175.794 174.900 0.020 0.000 1.008 402 G CA 0.665 45.793 45.100 0.046 0.000 0.724 402 G HN 0.786 nan 8.290 nan 0.000 0.514 403 E N -0.790 119.394 120.200 -0.028 0.000 2.204 403 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 403 E C 1.502 177.873 176.600 -0.382 0.000 0.989 403 E CA 1.215 57.480 56.400 -0.225 0.000 0.824 403 E CB 0.008 29.504 29.700 -0.339 0.000 0.756 403 E HN 0.834 nan 8.360 nan 0.000 0.477 404 H N -1.770 117.331 119.070 0.052 0.000 2.674 404 H HA 0.205 4.761 4.556 -0.000 0.000 0.274 404 H C 1.309 176.662 175.328 0.041 0.000 1.121 404 H CA 0.133 56.208 56.048 0.044 0.000 1.132 404 H CB 0.802 30.586 29.762 0.037 0.000 1.606 404 H HN -0.020 nan 8.280 nan 0.000 0.558 405 T N 0.708 115.330 114.554 0.114 0.000 2.597 405 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 405 T C 1.352 176.105 174.700 0.089 0.000 1.053 405 T CA 2.119 64.270 62.100 0.085 0.000 1.165 405 T CB -0.153 68.755 68.868 0.067 0.000 0.863 405 T HN 0.425 nan 8.240 nan 0.000 0.427 406 D N 0.365 120.835 120.400 0.118 0.000 2.144 406 D HA -0.052 4.587 4.640 -0.000 0.000 0.200 406 D C 2.104 178.453 176.300 0.082 0.000 0.978 406 D CA 0.844 54.911 54.000 0.112 0.000 0.833 406 D CB -0.433 40.440 40.800 0.121 0.000 0.961 406 D HN 0.557 nan 8.370 nan 0.000 0.470 407 E N 0.509 120.763 120.200 0.089 0.000 2.070 407 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 407 E C 1.917 178.561 176.600 0.072 0.000 1.004 407 E CA 1.098 57.552 56.400 0.089 0.000 0.805 407 E CB 0.120 29.903 29.700 0.138 0.000 0.744 407 E HN 0.033 nan 8.360 nan 0.000 0.451 408 V N 1.049 121.008 119.914 0.076 0.000 2.379 408 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 408 V C 2.419 178.532 176.094 0.032 0.000 1.044 408 V CA 1.346 63.673 62.300 0.044 0.000 1.036 408 V CB -0.385 31.461 31.823 0.037 0.000 0.664 408 V HN 0.327 nan 8.190 nan 0.000 0.453 409 L N -0.375 120.871 121.223 0.038 0.000 2.046 409 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 409 L C 2.521 179.411 176.870 0.033 0.000 1.077 409 L CA 1.697 56.557 54.840 0.032 0.000 0.747 409 L CB -0.613 41.468 42.059 0.037 0.000 0.896 409 L HN 0.276 nan 8.230 nan 0.000 0.432 410 K N -0.057 120.366 120.400 0.038 0.000 2.209 410 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 410 K C 1.902 178.517 176.600 0.025 0.000 1.048 410 K CA 1.123 57.429 56.287 0.033 0.000 0.940 410 K CB -0.044 32.478 32.500 0.036 0.000 0.729 410 K HN 0.393 nan 8.250 nan 0.000 0.451 411 E N 0.638 120.852 120.200 0.023 0.000 2.208 411 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 411 E C 1.710 178.317 176.600 0.012 0.000 0.988 411 E CA 0.545 56.954 56.400 0.015 0.000 0.828 411 E CB 0.056 29.763 29.700 0.011 0.000 0.763 411 E HN 0.248 nan 8.360 nan 0.000 0.478 412 L N -0.285 120.946 121.223 0.014 0.000 2.362 412 L HA -0.001 4.338 4.340 -0.000 0.000 0.219 412 L C 1.335 178.214 176.870 0.016 0.000 1.134 412 L CA 0.711 55.559 54.840 0.014 0.000 0.807 412 L CB -0.155 41.914 42.059 0.016 0.000 0.927 412 L HN 0.326 nan 8.230 nan 0.000 0.447 413 G N 0.208 109.018 108.800 0.018 0.000 2.141 413 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.195 413 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.195 413 G C -0.044 174.868 174.900 0.020 0.000 1.012 413 G CA -0.472 44.638 45.100 0.017 0.000 0.696 413 G HN 0.171 nan 8.290 nan 0.000 0.508 414 L N 1.277 122.514 121.223 0.023 0.000 2.334 414 L HA 0.533 4.873 4.340 -0.000 0.000 0.277 414 L C 0.772 177.659 176.870 0.028 0.000 1.075 414 L CA -0.882 53.974 54.840 0.026 0.000 0.804 414 L CB 0.834 42.910 42.059 0.029 0.000 1.174 414 L HN 0.407 nan 8.230 nan 0.000 0.438 415 D N -0.297 120.119 120.400 0.027 0.000 2.398 415 D HA 0.043 4.683 4.640 -0.000 0.000 0.247 415 D C 0.238 176.557 176.300 0.032 0.000 1.227 415 D CA -0.477 53.538 54.000 0.026 0.000 0.980 415 D CB 0.739 41.552 40.800 0.022 0.000 1.106 415 D HN 0.427 nan 8.370 nan 0.000 0.493 416 D N -0.426 119.991 120.400 0.029 0.000 2.218 416 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 416 D C 1.916 178.237 176.300 0.034 0.000 0.976 416 D CA 1.753 55.772 54.000 0.032 0.000 0.853 416 D CB -0.339 40.474 40.800 0.022 0.000 0.939 416 D HN 0.506 nan 8.370 nan 0.000 0.481 417 A N 0.546 123.384 122.820 0.029 0.000 1.897 417 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 417 A C 2.051 179.657 177.584 0.037 0.000 1.181 417 A CA 1.527 53.581 52.037 0.029 0.000 0.620 417 A CB -0.365 18.649 19.000 0.023 0.000 0.821 417 A HN 0.057 nan 8.150 nan 0.000 0.443 418 K N 0.402 120.824 120.400 0.036 0.000 2.057 418 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 418 K C 1.579 178.210 176.600 0.051 0.000 1.049 418 K CA 1.564 57.874 56.287 0.038 0.000 0.931 418 K CB -0.580 31.939 32.500 0.032 0.000 0.714 418 K HN 0.502 nan 8.250 nan 0.000 0.440 419 I N 0.579 121.187 120.570 0.064 0.000 2.179 419 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 419 I C 2.026 178.244 176.117 0.170 0.000 1.088 419 I CA 1.148 62.509 61.300 0.103 0.000 1.357 419 I CB -0.196 37.871 38.000 0.111 0.000 1.051 419 I HN 0.091 nan 8.210 nan 0.000 0.409 420 K N 0.502 120.978 120.400 0.126 0.000 2.211 420 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 420 K C 1.845 178.515 176.600 0.116 0.000 1.050 420 K CA 0.986 57.345 56.287 0.120 0.000 0.945 420 K CB -0.174 32.354 32.500 0.048 0.000 0.732 420 K HN 0.319 nan 8.250 nan 0.000 0.451 421 E N 0.736 120.985 120.200 0.082 0.000 2.230 421 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 421 E C 2.142 178.778 176.600 0.060 0.000 0.987 421 E CA 0.292 56.730 56.400 0.063 0.000 0.841 421 E CB -0.048 29.678 29.700 0.043 0.000 0.783 421 E HN 0.245 nan 8.360 nan 0.000 0.481 422 L N 0.438 121.694 121.223 0.056 0.000 2.093 422 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 422 L C 2.541 179.402 176.870 -0.015 0.000 1.085 422 L CA 0.961 55.807 54.840 0.009 0.000 0.755 422 L CB -0.383 41.663 42.059 -0.022 0.000 0.904 422 L HN 0.205 nan 8.230 nan 0.000 0.435 423 H N -0.471 118.610 119.070 0.018 0.000 2.321 423 H HA -0.118 4.437 4.556 -0.000 0.000 0.300 423 H C 2.243 177.579 175.328 0.014 0.000 1.087 423 H CA 1.599 57.656 56.048 0.015 0.000 1.319 423 H CB 0.086 29.856 29.762 0.012 0.000 1.379 423 H HN 0.372 nan 8.280 nan 0.000 0.501 424 A N 1.339 124.243 122.820 0.140 0.000 1.902 424 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 424 A C 2.263 179.878 177.584 0.052 0.000 1.181 424 A CA 1.457 53.541 52.037 0.079 0.000 0.623 424 A CB -0.290 18.746 19.000 0.059 0.000 0.818 424 A HN 0.305 nan 8.150 nan 0.000 0.443 425 K N -0.559 119.867 120.400 0.042 0.000 2.442 425 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 425 K C -0.116 176.496 176.600 0.020 0.000 1.042 425 K CA 0.748 57.051 56.287 0.027 0.000 0.958 425 K CB -0.087 32.426 32.500 0.022 0.000 0.766 425 K HN 0.600 nan 8.250 nan 0.000 0.474 426 Q N -1.049 118.763 119.800 0.021 0.000 2.493 426 Q HA -0.187 4.153 4.340 -0.000 0.000 0.278 426 Q C 0.582 176.578 176.000 -0.008 0.000 1.216 426 Q CA 0.369 56.178 55.803 0.011 0.000 0.875 426 Q CB -2.302 26.448 28.738 0.020 0.000 1.262 426 Q HN 0.166 nan 8.270 nan 0.000 0.468 427 V N -1.121 118.778 119.914 -0.026 0.000 2.649 427 V HA -0.023 4.097 4.120 -0.000 0.000 0.248 427 V C 1.175 177.233 176.094 -0.059 0.000 1.054 427 V CA 1.543 63.827 62.300 -0.027 0.000 1.073 427 V CB 0.532 32.345 31.823 -0.017 0.000 0.699 427 V HN 0.434 nan 8.190 nan 0.000 0.463 428 V N 0.000 119.829 119.914 -0.142 0.000 2.409 428 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 428 V CA 0.000 62.176 62.300 -0.206 0.000 1.235 428 V CB 0.000 31.642 31.823 -0.302 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556