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 3czl_1_A DATA FIRST_RESID 6 DATA SEQUENCE IDPPALRAAF AGPLDPQHAE VLLSRYDQHA SRLLDALHAL YGQRADYASW DATA SEQUENCE LAQWLGEVGD IARQRPQALQ TLDSTRHAGW FGQPHMLGYS AYADRFAGTL DATA SEQUENCE QGVAERVPYL QELGVRYLHL LPFLRARAGD NDGGFAVSDY GQVEPSLGSN DATA SEQUENCE DDLVALTSRL REAGISLCAD FVLNHTADDH AWAQAARAGD ARYLDYYHHF DATA SEQUENCE ADRTVPDRYE ATLGQVXXXX XPGNFTWVDD TAQWMWTTFY PYQWDLNWSN DATA SEQUENCE PAVFGDMALA MLRLANLGVE AFRLDSTAYL WKRIGTDCMN QSEAHTLLVA DATA SEQUENCE LRAVTDIVAP AVVMKAQAIV PMTQLPPYFG SGVDEGHECH LAYHSTLMAA DATA SEQUENCE GWSALALQRG DILHNVIAHS PPLPRHCAWL SYVRCHDDIG WNVLQHEACG DATA SEQUENCE NAAQPPFSLR DVARFYANAV PGSYARGESF QXXXXXVHGT NGMAAALAGI DATA SEQUENCE QAAQEAGDAA ALAVAVDRLV LLYAIALAMP GVPLIYMGDE LAMVNDPGYR DATA SEQUENCE DDPHRQHEGR WLHRPAMDWQ LAAQRHDAKS LSGTVYRRLR GLIRQRAALG DATA SEQUENCE ALAADQALAS IALNDPRVFA LTRGDSFIAL HNFSDQLLDV ELAAIGVDGW DATA SEQUENCE TLLAIXXXXX XXXXRGDGSI VLPPYGVRWL Q 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.163 176.117 0.077 0.000 1.063 6 I CA 0.000 61.365 61.300 0.109 0.000 1.566 6 I CB 0.000 38.048 38.000 0.081 0.000 1.214 7 D N 3.356 123.802 120.400 0.077 0.000 2.483 7 D HA 0.291 4.931 4.640 0.000 0.000 0.281 7 D C -1.140 175.200 176.300 0.067 0.000 1.174 7 D CA -2.053 51.984 54.000 0.061 0.000 0.938 7 D CB 1.465 42.296 40.800 0.052 0.000 1.002 7 D HN 0.022 nan 8.370 nan 0.000 0.501 8 P HA -0.172 nan 4.420 nan 0.000 0.217 8 P C -1.230 176.126 177.300 0.093 0.000 1.162 8 P CA 1.642 64.797 63.100 0.092 0.000 0.901 8 P CB -0.917 30.828 31.700 0.075 0.000 0.793 9 P HA -0.111 nan 4.420 nan 0.000 0.218 9 P C 1.623 178.942 177.300 0.032 0.000 1.149 9 P CA 1.895 65.023 63.100 0.046 0.000 0.817 9 P CB -0.468 31.252 31.700 0.033 0.000 0.785 10 A N -0.023 122.817 122.820 0.034 0.000 1.968 10 A HA -0.063 4.257 4.320 0.000 0.000 0.217 10 A C 2.429 180.027 177.584 0.024 0.000 1.169 10 A CA 1.027 53.078 52.037 0.023 0.000 0.638 10 A CB -1.415 17.600 19.000 0.026 0.000 0.812 10 A HN 0.121 nan 8.150 nan 0.000 0.446 11 L N -1.231 120.024 121.223 0.053 0.000 2.072 11 L HA -0.096 4.244 4.340 0.000 0.000 0.205 11 L C 2.754 179.652 176.870 0.045 0.000 1.079 11 L CA 1.473 56.358 54.840 0.075 0.000 0.752 11 L CB -0.485 41.657 42.059 0.139 0.000 0.906 11 L HN 0.425 nan 8.230 nan 0.000 0.436 12 R N 0.591 121.100 120.500 0.016 0.000 2.096 12 R HA -0.169 4.171 4.340 0.000 0.000 0.235 12 R C 2.301 178.514 176.300 -0.144 0.000 1.127 12 R CA 1.436 57.401 56.100 -0.224 0.000 0.968 12 R CB -0.186 30.053 30.300 -0.102 0.000 0.861 12 R HN 0.336 nan 8.270 nan 0.000 0.440 13 A N 0.620 123.405 122.820 -0.058 0.000 1.930 13 A HA -0.068 4.252 4.320 0.000 0.000 0.217 13 A C 2.311 179.860 177.584 -0.057 0.000 1.175 13 A CA 1.514 53.520 52.037 -0.051 0.000 0.627 13 A CB -0.597 18.386 19.000 -0.029 0.000 0.815 13 A HN 0.526 nan 8.150 nan 0.000 0.443 14 A N -1.024 121.772 122.820 -0.039 0.000 1.902 14 A HA -0.057 4.263 4.320 0.000 0.000 0.217 14 A C 2.051 179.596 177.584 -0.065 0.000 1.181 14 A CA 1.621 53.630 52.037 -0.046 0.000 0.623 14 A CB -0.704 18.278 19.000 -0.029 0.000 0.818 14 A HN 0.743 nan 8.150 nan 0.000 0.443 15 F N 0.856 120.673 119.950 -0.222 0.000 2.186 15 F HA 0.048 4.575 4.527 0.000 0.000 0.299 15 F C 2.383 178.045 175.800 -0.231 0.000 1.090 15 F CA 1.153 58.997 58.000 -0.261 0.000 1.307 15 F CB -0.287 38.472 39.000 -0.402 0.000 1.019 15 F HN 0.224 nan 8.300 nan 0.000 0.489 16 A N 0.387 123.078 122.820 -0.215 0.000 1.968 16 A HA 0.079 4.399 4.320 0.000 0.000 0.217 16 A C 2.482 179.926 177.584 -0.233 0.000 1.169 16 A CA 1.194 53.083 52.037 -0.248 0.000 0.638 16 A CB -1.763 17.176 19.000 -0.102 0.000 0.812 16 A HN 0.508 nan 8.150 nan 0.000 0.446 17 G N 1.217 109.908 108.800 -0.181 0.000 2.631 17 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 17 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 17 G C 0.118 174.924 174.900 -0.156 0.000 1.214 17 G CA 1.404 46.420 45.100 -0.140 0.000 0.785 17 G HN 0.561 nan 8.290 nan 0.000 0.596 18 P HA 0.037 nan 4.420 nan 0.000 0.225 18 P C 0.695 177.884 177.300 -0.185 0.000 1.148 18 P CA 0.393 63.386 63.100 -0.179 0.000 0.779 18 P CB -0.142 31.441 31.700 -0.195 0.000 0.780 19 L N 1.636 122.719 121.223 -0.233 0.000 2.467 19 L HA 0.130 4.470 4.340 0.000 0.000 0.270 19 L C 0.975 177.780 176.870 -0.108 0.000 1.205 19 L CA -0.378 54.350 54.840 -0.186 0.000 0.828 19 L CB -0.104 41.825 42.059 -0.218 0.000 1.101 19 L HN 0.017 nan 8.230 nan 0.000 0.479 20 D N 1.822 122.179 120.400 -0.071 0.000 2.193 20 D HA 0.200 4.840 4.640 0.000 0.000 0.249 20 D C -2.077 174.210 176.300 -0.022 0.000 1.034 20 D CA -2.078 51.889 54.000 -0.055 0.000 0.902 20 D CB 1.540 42.298 40.800 -0.070 0.000 1.182 20 D HN 0.191 nan 8.370 nan 0.000 0.436 21 P HA -0.274 nan 4.420 nan 0.000 0.217 21 P C 1.394 178.715 177.300 0.036 0.000 1.151 21 P CA 1.421 64.522 63.100 0.002 0.000 0.849 21 P CB 0.245 31.941 31.700 -0.008 0.000 0.787 22 Q N -0.609 119.211 119.800 0.032 0.000 2.181 22 Q HA -0.192 4.148 4.340 0.000 0.000 0.205 22 Q C 0.276 176.467 176.000 0.319 0.000 0.980 22 Q CA 1.413 57.272 55.803 0.093 0.000 0.862 22 Q CB -0.166 28.557 28.738 -0.025 0.000 0.905 22 Q HN 0.377 nan 8.270 nan 0.000 0.429 23 H N -1.624 117.437 119.070 -0.016 0.000 2.551 23 H HA 0.419 4.975 4.556 0.000 0.000 0.238 23 H C -0.019 175.303 175.328 -0.010 0.000 1.345 23 H CA 0.277 56.321 56.048 -0.008 0.000 1.105 23 H CB 0.903 30.658 29.762 -0.011 0.000 1.805 23 H HN 0.269 nan 8.280 nan 0.000 0.553 24 A N -0.447 122.426 122.820 0.088 0.000 2.055 24 A HA 0.049 4.369 4.320 0.000 0.000 0.205 24 A C 2.053 179.669 177.584 0.054 0.000 1.235 24 A CA 0.429 52.492 52.037 0.044 0.000 0.822 24 A CB 0.330 19.336 19.000 0.010 0.000 0.903 24 A HN 0.421 nan 8.150 nan 0.000 0.473 25 E N 0.235 120.461 120.200 0.044 0.000 2.051 25 E HA -0.140 4.210 4.350 0.000 0.000 0.192 25 E C 1.743 178.371 176.600 0.047 0.000 0.991 25 E CA 1.694 58.119 56.400 0.042 0.000 0.799 25 E CB -0.098 29.619 29.700 0.028 0.000 0.748 25 E HN 0.251 nan 8.360 nan 0.000 0.449 26 V N 1.331 121.258 119.914 0.022 0.000 2.295 26 V HA -0.256 3.864 4.120 0.000 0.000 0.246 26 V C 2.461 178.604 176.094 0.082 0.000 1.049 26 V CA 1.225 63.541 62.300 0.025 0.000 1.024 26 V CB -0.452 31.350 31.823 -0.035 0.000 0.648 26 V HN 0.404 nan 8.190 nan 0.000 0.447 27 L N -0.601 120.686 121.223 0.106 0.000 1.989 27 L HA -0.188 4.152 4.340 0.000 0.000 0.211 27 L C 2.400 179.439 176.870 0.282 0.000 1.071 27 L CA 2.116 57.080 54.840 0.207 0.000 0.749 27 L CB -1.036 41.154 42.059 0.217 0.000 0.890 27 L HN 0.334 nan 8.230 nan 0.000 0.431 28 L N -1.152 120.214 121.223 0.239 0.000 2.131 28 L HA -0.214 4.126 4.340 0.000 0.000 0.210 28 L C 2.779 179.761 176.870 0.186 0.000 1.092 28 L CA 1.089 56.069 54.840 0.233 0.000 0.759 28 L CB -0.449 41.693 42.059 0.139 0.000 0.903 28 L HN 0.279 nan 8.230 nan 0.000 0.435 29 S N -0.065 115.715 115.700 0.134 0.000 2.368 29 S HA -0.158 4.312 4.470 0.000 0.000 0.225 29 S C 2.125 176.788 174.600 0.104 0.000 1.030 29 S CA 1.135 59.394 58.200 0.097 0.000 0.999 29 S CB -0.030 63.211 63.200 0.068 0.000 0.844 29 S HN 0.354 nan 8.310 nan 0.000 0.459 30 R N -1.027 119.561 120.500 0.146 0.000 2.090 30 R HA -0.051 4.289 4.340 0.000 0.000 0.228 30 R C 2.220 178.626 176.300 0.175 0.000 1.110 30 R CA 1.453 57.668 56.100 0.191 0.000 0.973 30 R CB -0.600 29.835 30.300 0.225 0.000 0.869 30 R HN 0.588 nan 8.270 nan 0.000 0.440 31 Y N 2.489 122.788 120.300 -0.002 0.000 2.145 31 Y HA -0.244 4.306 4.550 0.000 0.000 0.286 31 Y C 1.737 177.585 175.900 -0.087 0.000 1.145 31 Y CA 1.740 59.750 58.100 -0.150 0.000 1.148 31 Y CB -0.177 38.077 38.460 -0.343 0.000 0.981 31 Y HN -0.012 nan 8.280 nan 0.000 0.507 32 D N -0.346 120.149 120.400 0.159 0.000 2.182 32 D HA -0.172 4.468 4.640 0.000 0.000 0.201 32 D C 1.838 178.088 176.300 -0.084 0.000 0.986 32 D CA 1.251 55.289 54.000 0.064 0.000 0.847 32 D CB -0.142 40.710 40.800 0.087 0.000 0.942 32 D HN 0.445 nan 8.370 nan 0.000 0.467 33 Q N -0.702 119.010 119.800 -0.147 0.000 2.402 33 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 33 Q C 1.345 177.063 176.000 -0.470 0.000 0.919 33 Q CA 0.701 56.319 55.803 -0.308 0.000 0.923 33 Q CB 0.250 28.761 28.738 -0.379 0.000 1.048 33 Q HN 0.565 nan 8.270 nan 0.000 0.515 34 H N -1.564 117.417 119.070 -0.148 0.000 3.017 34 H HA 0.348 4.904 4.556 -0.000 0.000 0.255 34 H C 1.570 176.739 175.328 -0.265 0.000 0.990 34 H CA 0.602 56.544 56.048 -0.176 0.000 1.205 34 H CB 0.452 30.145 29.762 -0.116 0.000 1.460 34 H HN 0.155 nan 8.280 nan 0.000 0.478 35 A N 1.028 123.634 122.820 -0.357 0.000 1.948 35 A HA -0.192 4.128 4.320 0.000 0.000 0.220 35 A C 2.519 179.941 177.584 -0.269 0.000 1.177 35 A CA 2.003 53.705 52.037 -0.558 0.000 0.636 35 A CB -0.552 17.637 19.000 -1.351 0.000 0.815 35 A HN 0.248 nan 8.150 nan 0.000 0.449 36 S N -1.179 114.404 115.700 -0.195 0.000 2.368 36 S HA -0.170 4.300 4.470 0.000 0.000 0.225 36 S C 2.117 176.667 174.600 -0.083 0.000 1.030 36 S CA 1.345 59.479 58.200 -0.110 0.000 0.999 36 S CB -0.322 62.821 63.200 -0.095 0.000 0.844 36 S HN 0.648 nan 8.310 nan 0.000 0.459 37 R N 0.445 120.886 120.500 -0.099 0.000 2.081 37 R HA -0.087 4.253 4.340 0.000 0.000 0.235 37 R C 2.322 178.594 176.300 -0.047 0.000 1.131 37 R CA 1.219 57.265 56.100 -0.091 0.000 0.960 37 R CB -0.465 29.746 30.300 -0.148 0.000 0.856 37 R HN 0.337 nan 8.270 nan 0.000 0.436 38 L N 1.314 122.520 121.223 -0.028 0.000 1.989 38 L HA -0.172 4.168 4.340 0.000 0.000 0.211 38 L C 2.034 178.947 176.870 0.070 0.000 1.071 38 L CA 1.746 56.610 54.840 0.040 0.000 0.749 38 L CB -0.619 41.481 42.059 0.069 0.000 0.890 38 L HN 0.202 nan 8.230 nan 0.000 0.431 39 L N -0.587 120.677 121.223 0.067 0.000 2.083 39 L HA -0.203 4.137 4.340 0.000 0.000 0.209 39 L C 2.267 179.211 176.870 0.124 0.000 1.083 39 L CA 1.229 56.154 54.840 0.140 0.000 0.752 39 L CB -0.893 41.233 42.059 0.113 0.000 0.899 39 L HN 0.292 nan 8.230 nan 0.000 0.433 40 D N 0.213 120.635 120.400 0.036 0.000 2.117 40 D HA -0.142 4.498 4.640 0.000 0.000 0.197 40 D C 2.260 178.559 176.300 -0.002 0.000 0.987 40 D CA 1.512 55.517 54.000 0.008 0.000 0.829 40 D CB -0.031 40.746 40.800 -0.039 0.000 0.961 40 D HN 0.315 nan 8.370 nan 0.000 0.460 41 A N 0.730 123.530 122.820 -0.033 0.000 1.877 41 A HA -0.112 4.208 4.320 0.000 0.000 0.216 41 A C 2.405 179.897 177.584 -0.154 0.000 1.186 41 A CA 0.926 52.901 52.037 -0.103 0.000 0.620 41 A CB -0.826 18.116 19.000 -0.096 0.000 0.822 41 A HN 0.204 nan 8.150 nan 0.000 0.443 42 L N -1.265 119.927 121.223 -0.052 0.000 2.131 42 L HA -0.200 4.141 4.340 0.000 0.000 0.210 42 L C 2.713 179.563 176.870 -0.033 0.000 1.092 42 L CA 1.509 56.360 54.840 0.018 0.000 0.759 42 L CB -0.732 41.514 42.059 0.312 0.000 0.903 42 L HN 0.616 nan 8.230 nan 0.000 0.435 43 H N 0.608 119.628 119.070 -0.083 0.000 2.353 43 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 43 H C 2.122 177.253 175.328 -0.328 0.000 1.090 43 H CA 1.603 57.490 56.048 -0.269 0.000 1.327 43 H CB 0.350 30.045 29.762 -0.111 0.000 1.383 43 H HN 0.315 nan 8.280 nan 0.000 0.508 44 A N 0.952 123.653 122.820 -0.198 0.000 1.972 44 A HA -0.097 4.223 4.320 0.000 0.000 0.219 44 A C 2.756 180.065 177.584 -0.458 0.000 1.169 44 A CA 1.331 53.205 52.037 -0.272 0.000 0.635 44 A CB -0.618 18.253 19.000 -0.216 0.000 0.810 44 A HN 0.426 nan 8.150 nan 0.000 0.446 45 L N -3.216 117.635 121.223 -0.620 0.000 2.168 45 L HA 0.001 4.341 4.340 0.000 0.000 0.203 45 L C 1.760 178.075 176.870 -0.925 0.000 1.078 45 L CA 0.935 55.217 54.840 -0.931 0.000 0.780 45 L CB -0.134 41.079 42.059 -1.411 0.000 0.939 45 L HN 0.500 nan 8.230 nan 0.000 0.451 46 Y N -1.731 118.334 120.300 -0.391 0.000 2.499 46 Y HA 0.321 4.871 4.550 0.000 0.000 0.253 46 Y C 2.196 177.650 175.900 -0.744 0.000 1.105 46 Y CA -0.190 57.661 58.100 -0.415 0.000 1.240 46 Y CB -0.741 37.552 38.460 -0.278 0.000 1.289 46 Y HN -0.045 nan 8.280 nan 0.000 0.534 47 G N 0.648 108.841 108.800 -1.012 0.000 2.550 47 G HA2 -0.262 3.698 3.960 0.000 0.000 0.222 47 G HA3 -0.262 3.698 3.960 0.000 0.000 0.222 47 G C 1.475 176.004 174.900 -0.619 0.000 1.113 47 G CA 1.142 45.483 45.100 -1.266 0.000 0.748 47 G HN 0.242 nan 8.290 nan 0.000 0.585 48 Q N 0.068 119.626 119.800 -0.404 0.000 2.378 48 Q HA 0.086 4.426 4.340 0.000 0.000 0.205 48 Q C 1.199 177.156 176.000 -0.070 0.000 0.954 48 Q CA 0.208 55.903 55.803 -0.180 0.000 0.901 48 Q CB 0.099 28.754 28.738 -0.138 0.000 0.981 48 Q HN 0.509 nan 8.270 nan 0.000 0.483 49 R N 0.031 120.502 120.500 -0.048 0.000 2.543 49 R HA 0.257 4.597 4.340 0.000 0.000 0.277 49 R C 1.244 177.602 176.300 0.097 0.000 1.074 49 R CA 0.330 56.450 56.100 0.035 0.000 1.076 49 R CB 0.423 30.754 30.300 0.052 0.000 0.993 49 R HN 0.038 nan 8.270 nan 0.000 0.459 50 A N 2.361 125.228 122.820 0.078 0.000 1.969 50 A HA -0.177 4.143 4.320 0.000 0.000 0.218 50 A C 1.293 178.950 177.584 0.123 0.000 1.169 50 A CA 1.691 53.783 52.037 0.092 0.000 0.635 50 A CB -0.305 18.733 19.000 0.062 0.000 0.810 50 A HN 0.876 nan 8.150 nan 0.000 0.445 51 D N -2.350 118.121 120.400 0.119 0.000 2.340 51 D HA -0.089 4.551 4.640 0.000 0.000 0.220 51 D C 1.250 177.679 176.300 0.216 0.000 1.039 51 D CA 0.119 54.199 54.000 0.133 0.000 0.866 51 D CB -0.613 40.238 40.800 0.086 0.000 0.913 51 D HN 0.471 nan 8.370 nan 0.000 0.523 52 Y N 1.949 122.322 120.300 0.121 0.000 2.097 52 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 52 Y C 2.528 178.609 175.900 0.302 0.000 1.152 52 Y CA 2.254 60.477 58.100 0.205 0.000 1.136 52 Y CB -0.694 37.855 38.460 0.149 0.000 0.975 52 Y HN 0.063 nan 8.280 nan 0.000 0.498 53 A N -0.371 122.506 122.820 0.095 0.000 1.908 53 A HA -0.217 4.103 4.320 0.000 0.000 0.218 53 A C 2.454 180.028 177.584 -0.017 0.000 1.181 53 A CA 2.610 54.637 52.037 -0.016 0.000 0.627 53 A CB -1.355 17.705 19.000 0.100 0.000 0.818 53 A HN 0.619 nan 8.150 nan 0.000 0.445 54 S N -1.740 113.993 115.700 0.055 0.000 2.371 54 S HA -0.208 4.262 4.470 0.000 0.000 0.224 54 S C 1.745 176.371 174.600 0.043 0.000 1.029 54 S CA 1.282 59.511 58.200 0.048 0.000 0.978 54 S CB -0.881 62.362 63.200 0.072 0.000 0.833 54 S HN 0.819 nan 8.310 nan 0.000 0.466 55 W N 2.374 123.646 121.300 -0.047 0.000 2.335 55 W HA -0.054 4.606 4.660 -0.000 0.000 0.311 55 W C 1.903 178.427 176.519 0.008 0.000 1.213 55 W CA 1.062 58.387 57.345 -0.034 0.000 1.274 55 W CB -0.770 28.637 29.460 -0.090 0.000 1.148 55 W HN 0.278 nan 8.180 nan 0.000 0.498 56 L N 2.015 123.018 121.223 -0.366 0.000 1.990 56 L HA -0.145 4.195 4.340 0.000 0.000 0.213 56 L C 2.516 179.203 176.870 -0.304 0.000 1.072 56 L CA 3.157 57.647 54.840 -0.584 0.000 0.755 56 L CB -1.574 40.260 42.059 -0.375 0.000 0.889 56 L HN 0.142 nan 8.230 nan 0.000 0.432 57 A N -1.324 121.392 122.820 -0.173 0.000 1.969 57 A HA -0.226 4.094 4.320 0.000 0.000 0.218 57 A C 2.263 179.783 177.584 -0.108 0.000 1.169 57 A CA 1.589 53.571 52.037 -0.092 0.000 0.635 57 A CB -0.664 18.309 19.000 -0.046 0.000 0.810 57 A HN 0.667 nan 8.150 nan 0.000 0.445 58 Q N -1.289 118.430 119.800 -0.135 0.000 2.020 58 Q HA -0.213 4.127 4.340 0.000 0.000 0.198 58 Q C 2.010 177.940 176.000 -0.117 0.000 0.974 58 Q CA 2.060 57.803 55.803 -0.100 0.000 0.829 58 Q CB -0.475 28.226 28.738 -0.062 0.000 0.894 58 Q HN 0.770 nan 8.270 nan 0.000 0.433 59 W N 1.538 122.560 121.300 -0.462 0.000 2.338 59 W HA -0.175 4.485 4.660 -0.000 0.000 0.304 59 W C 1.957 178.358 176.519 -0.197 0.000 1.212 59 W CA 1.592 58.692 57.345 -0.408 0.000 1.264 59 W CB -0.561 28.395 29.460 -0.841 0.000 1.142 59 W HN 0.173 nan 8.180 nan 0.000 0.512 60 L N 0.534 121.561 121.223 -0.327 0.000 2.079 60 L HA -0.151 4.189 4.340 0.000 0.000 0.210 60 L C 2.672 179.405 176.870 -0.228 0.000 1.081 60 L CA 1.528 56.158 54.840 -0.349 0.000 0.752 60 L CB -1.471 40.556 42.059 -0.054 0.000 0.896 60 L HN 0.260 nan 8.230 nan 0.000 0.433 61 G N -0.423 108.268 108.800 -0.182 0.000 2.418 61 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 61 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 61 G C 1.396 176.179 174.900 -0.195 0.000 1.158 61 G CA 0.568 45.571 45.100 -0.161 0.000 0.771 61 G HN 0.433 nan 8.290 nan 0.000 0.545 62 E N 0.057 120.134 120.200 -0.205 0.000 2.077 62 E HA -0.084 4.266 4.350 0.000 0.000 0.193 62 E C 2.721 179.183 176.600 -0.231 0.000 0.989 62 E CA 0.912 57.209 56.400 -0.171 0.000 0.800 62 E CB -0.184 29.453 29.700 -0.104 0.000 0.746 62 E HN 0.306 nan 8.360 nan 0.000 0.452 63 V N 1.184 120.856 119.914 -0.403 0.000 2.295 63 V HA -0.221 3.899 4.120 0.000 0.000 0.246 63 V C 2.419 178.403 176.094 -0.184 0.000 1.049 63 V CA 2.090 64.192 62.300 -0.328 0.000 1.024 63 V CB -1.060 30.459 31.823 -0.507 0.000 0.648 63 V HN 0.422 nan 8.190 nan 0.000 0.447 64 G N -0.716 107.907 108.800 -0.294 0.000 2.440 64 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 64 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 64 G C 1.446 176.125 174.900 -0.367 0.000 1.154 64 G CA 1.038 45.763 45.100 -0.625 0.000 0.767 64 G HN 0.500 nan 8.290 nan 0.000 0.552 65 D N 0.443 120.698 120.400 -0.242 0.000 2.117 65 D HA -0.110 4.530 4.640 0.000 0.000 0.197 65 D C 2.509 178.742 176.300 -0.111 0.000 0.987 65 D CA 0.547 54.453 54.000 -0.157 0.000 0.829 65 D CB -0.072 40.662 40.800 -0.111 0.000 0.961 65 D HN 0.171 nan 8.370 nan 0.000 0.460 66 I N 1.223 121.738 120.570 -0.092 0.000 2.252 66 I HA -0.171 3.999 4.170 0.000 0.000 0.245 66 I C 2.613 178.711 176.117 -0.031 0.000 1.102 66 I CA 0.709 61.985 61.300 -0.041 0.000 1.385 66 I CB -1.471 36.520 38.000 -0.015 0.000 1.064 66 I HN -0.077 nan 8.210 nan 0.000 0.414 67 A N 0.969 123.759 122.820 -0.049 0.000 1.892 67 A HA -0.267 4.053 4.320 0.000 0.000 0.218 67 A C 2.500 180.068 177.584 -0.026 0.000 1.188 67 A CA 1.842 53.871 52.037 -0.014 0.000 0.631 67 A CB -0.680 18.304 19.000 -0.027 0.000 0.822 67 A HN 0.271 nan 8.150 nan 0.000 0.447 68 R N 0.046 120.497 120.500 -0.082 0.000 2.091 68 R HA -0.162 4.178 4.340 0.000 0.000 0.238 68 R C 1.969 178.249 176.300 -0.033 0.000 1.136 68 R CA 2.208 58.268 56.100 -0.066 0.000 0.959 68 R CB -0.588 29.648 30.300 -0.106 0.000 0.856 68 R HN 0.752 nan 8.270 nan 0.000 0.437 69 Q N 0.027 119.809 119.800 -0.030 0.000 2.436 69 Q HA -0.026 4.314 4.340 0.000 0.000 0.209 69 Q C 0.475 176.478 176.000 0.005 0.000 0.965 69 Q CA 0.065 55.859 55.803 -0.015 0.000 0.910 69 Q CB -0.021 28.710 28.738 -0.011 0.000 0.980 69 Q HN 0.129 nan 8.270 nan 0.000 0.491 70 R N 2.327 122.838 120.500 0.019 0.000 2.480 70 R HA 0.017 4.357 4.340 0.000 0.000 0.303 70 R C -2.381 173.940 176.300 0.034 0.000 0.985 70 R CA -1.290 54.831 56.100 0.034 0.000 1.051 70 R CB 0.285 30.614 30.300 0.049 0.000 0.935 70 R HN -0.129 nan 8.270 nan 0.000 0.410 71 P HA -0.119 nan 4.420 nan 0.000 0.266 71 P C -0.244 177.077 177.300 0.035 0.000 1.186 71 P CA 0.056 63.168 63.100 0.020 0.000 0.767 71 P CB 0.665 32.373 31.700 0.013 0.000 0.820 72 Q N 3.726 123.547 119.800 0.035 0.000 2.096 72 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 72 Q C 1.953 177.982 176.000 0.048 0.000 0.982 72 Q CA 2.534 58.378 55.803 0.068 0.000 0.850 72 Q CB -1.217 27.553 28.738 0.054 0.000 0.901 72 Q HN 0.509 nan 8.270 nan 0.000 0.422 73 A N -0.101 122.731 122.820 0.021 0.000 1.978 73 A HA -0.140 4.180 4.320 0.000 0.000 0.220 73 A C 2.075 179.654 177.584 -0.007 0.000 1.170 73 A CA 1.527 53.565 52.037 0.003 0.000 0.636 73 A CB -0.653 18.343 19.000 -0.007 0.000 0.810 73 A HN 0.464 nan 8.150 nan 0.000 0.448 74 L N -1.288 119.936 121.223 0.001 0.000 2.209 74 L HA -0.140 4.200 4.340 0.000 0.000 0.207 74 L C 2.772 179.642 176.870 -0.001 0.000 1.094 74 L CA 0.894 55.729 54.840 -0.008 0.000 0.790 74 L CB -0.492 41.570 42.059 0.005 0.000 0.932 74 L HN 0.450 nan 8.230 nan 0.000 0.447 75 Q N -0.550 119.265 119.800 0.025 0.000 2.170 75 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 75 Q C 2.133 178.127 176.000 -0.010 0.000 0.976 75 Q CA 1.851 57.669 55.803 0.024 0.000 0.858 75 Q CB -0.189 28.593 28.738 0.073 0.000 0.907 75 Q HN 0.461 nan 8.270 nan 0.000 0.433 76 T N 1.576 116.126 114.554 -0.007 0.000 2.737 76 T HA -0.100 4.250 4.350 0.000 0.000 0.265 76 T C 1.832 176.503 174.700 -0.048 0.000 1.038 76 T CA 0.610 62.695 62.100 -0.025 0.000 1.144 76 T CB -0.207 68.653 68.868 -0.014 0.000 0.866 76 T HN 0.205 nan 8.240 nan 0.000 0.434 77 L N 1.005 122.191 121.223 -0.062 0.000 2.013 77 L HA -0.198 4.142 4.340 0.000 0.000 0.212 77 L C 2.378 179.185 176.870 -0.105 0.000 1.073 77 L CA 1.661 56.436 54.840 -0.108 0.000 0.753 77 L CB -0.523 41.458 42.059 -0.129 0.000 0.890 77 L HN 0.238 nan 8.230 nan 0.000 0.432 78 D N -0.624 119.738 120.400 -0.063 0.000 2.133 78 D HA -0.189 4.451 4.640 0.000 0.000 0.195 78 D C 2.273 178.565 176.300 -0.014 0.000 0.997 78 D CA 1.646 55.628 54.000 -0.030 0.000 0.840 78 D CB -0.015 40.789 40.800 0.006 0.000 0.947 78 D HN 0.230 nan 8.370 nan 0.000 0.452 79 S N -0.889 114.799 115.700 -0.020 0.000 2.470 79 S HA -0.051 4.419 4.470 0.000 0.000 0.225 79 S C 1.988 176.589 174.600 0.002 0.000 1.006 79 S CA 1.222 59.420 58.200 -0.004 0.000 0.934 79 S CB 0.165 63.352 63.200 -0.022 0.000 0.778 79 S HN 0.500 nan 8.310 nan 0.000 0.517 80 T N -0.629 113.903 114.554 -0.036 0.000 3.040 80 T HA 0.216 4.566 4.350 0.000 0.000 0.252 80 T C 0.760 175.388 174.700 -0.119 0.000 1.064 80 T CA -0.235 61.830 62.100 -0.058 0.000 1.110 80 T CB -0.038 68.779 68.868 -0.084 0.000 0.921 80 T HN 0.113 nan 8.240 nan 0.000 0.480 81 R N 1.388 121.810 120.500 -0.130 0.000 2.491 81 R HA 0.192 4.532 4.340 0.000 0.000 0.283 81 R C -0.665 175.657 176.300 0.037 0.000 1.072 81 R CA -0.210 55.785 56.100 -0.175 0.000 1.048 81 R CB 0.187 30.273 30.300 -0.356 0.000 0.983 81 R HN 0.552 nan 8.270 nan 0.000 0.450 82 H N 1.322 120.427 119.070 0.058 0.000 2.482 82 H HA 0.312 4.868 4.556 -0.000 0.000 0.344 82 H C 0.079 175.507 175.328 0.166 0.000 1.151 82 H CA -0.674 55.427 56.048 0.088 0.000 1.300 82 H CB 1.553 31.362 29.762 0.078 0.000 1.494 82 H HN 0.769 nan 8.280 nan 0.000 0.542 83 A N 1.275 124.183 122.820 0.147 0.000 2.498 83 A HA 0.346 4.666 4.320 0.000 0.000 0.239 83 A C 1.440 178.970 177.584 -0.090 0.000 1.068 83 A CA 0.563 52.559 52.037 -0.069 0.000 0.766 83 A CB -0.770 17.857 19.000 -0.622 0.000 1.003 83 A HN 1.085 nan 8.150 nan 0.000 0.497 84 G N 0.632 109.354 108.800 -0.130 0.000 2.179 84 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 84 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 84 G C 0.950 175.470 174.900 -0.634 0.000 0.977 84 G CA 0.979 45.794 45.100 -0.476 0.000 0.641 84 G HN 1.635 nan 8.290 nan 0.000 0.533 85 W N 1.199 122.361 121.300 -0.229 0.000 2.325 85 W HA -0.106 4.554 4.660 0.000 0.000 0.299 85 W C 1.941 178.376 176.519 -0.140 0.000 1.215 85 W CA 1.634 58.923 57.345 -0.092 0.000 1.244 85 W CB -1.645 27.848 29.460 0.054 0.000 1.140 85 W HN 0.707 nan 8.180 nan 0.000 0.523 86 F N 1.228 120.491 119.950 -1.145 0.000 2.641 86 F HA 0.396 4.923 4.527 0.000 0.000 0.298 86 F C 2.002 177.503 175.800 -0.498 0.000 1.146 86 F CA 0.840 58.225 58.000 -1.026 0.000 1.464 86 F CB -1.395 36.799 39.000 -1.343 0.000 1.101 86 F HN -0.122 nan 8.300 nan 0.000 0.585 87 G N 0.028 108.312 108.800 -0.860 0.000 3.233 87 G HA2 0.093 4.053 3.960 0.000 0.000 0.234 87 G HA3 0.093 4.053 3.960 0.000 0.000 0.234 87 G C 0.389 175.080 174.900 -0.349 0.000 1.137 87 G CA -0.301 44.491 45.100 -0.514 0.000 0.763 87 G HN 0.125 nan 8.290 nan 0.000 0.549 88 Q N 0.374 119.961 119.800 -0.354 0.000 2.394 88 Q HA 0.147 4.487 4.340 0.000 0.000 0.248 88 Q C -1.603 174.187 176.000 -0.350 0.000 0.992 88 Q CA -1.984 53.633 55.803 -0.311 0.000 0.888 88 Q CB 1.398 29.954 28.738 -0.303 0.000 1.257 88 Q HN 0.017 nan 8.270 nan 0.000 0.462 89 P HA -0.180 nan 4.420 nan 0.000 0.218 89 P C 0.863 178.116 177.300 -0.077 0.000 1.146 89 P CA 1.466 64.492 63.100 -0.123 0.000 0.813 89 P CB -0.010 31.654 31.700 -0.060 0.000 0.778 90 H N -2.951 116.136 119.070 0.029 0.000 2.547 90 H HA 0.098 4.654 4.556 -0.000 0.000 0.272 90 H C 0.519 175.889 175.328 0.070 0.000 0.989 90 H CA 0.186 56.265 56.048 0.052 0.000 1.214 90 H CB -0.599 29.197 29.762 0.058 0.000 1.389 90 H HN 0.065 nan 8.280 nan 0.000 0.577 91 M N 2.136 121.580 119.600 -0.259 0.000 2.246 91 M HA 0.141 4.621 4.480 0.000 0.000 0.350 91 M C 0.004 176.319 176.300 0.025 0.000 1.406 91 M CA 0.249 55.510 55.300 -0.066 0.000 1.089 91 M CB 1.275 33.777 32.600 -0.162 0.000 1.782 91 M HN 0.265 nan 8.290 nan 0.000 0.457 92 L N 2.473 123.760 121.223 0.106 0.000 2.455 92 L HA 0.797 5.137 4.340 0.000 0.000 0.264 92 L C -0.630 176.349 176.870 0.182 0.000 0.968 92 L CA -0.130 54.783 54.840 0.122 0.000 0.827 92 L CB 2.146 44.280 42.059 0.125 0.000 1.317 92 L HN 0.768 nan 8.230 nan 0.000 0.407 93 G N 2.422 111.335 108.800 0.190 0.000 2.537 93 G HA2 0.578 4.538 3.960 0.000 0.000 0.323 93 G HA3 0.578 4.538 3.960 0.000 0.000 0.323 93 G C -2.372 172.764 174.900 0.393 0.000 1.207 93 G CA -0.371 44.917 45.100 0.312 0.000 0.976 93 G HN 0.558 nan 8.290 nan 0.000 0.487 94 Y N -0.163 120.289 120.300 0.254 0.000 2.479 94 Y HA 0.593 5.143 4.550 -0.000 0.000 0.338 94 Y C -0.400 175.610 175.900 0.184 0.000 1.055 94 Y CA -0.892 57.315 58.100 0.178 0.000 1.023 94 Y CB 2.522 41.032 38.460 0.083 0.000 1.287 94 Y HN 0.641 nan 8.280 nan 0.000 0.447 95 S N 4.254 119.921 115.700 -0.055 0.000 2.519 95 S HA 0.958 5.428 4.470 0.000 0.000 0.309 95 S C -1.319 173.158 174.600 -0.206 0.000 1.100 95 S CA 0.164 58.371 58.200 0.011 0.000 1.059 95 S CB 0.598 63.955 63.200 0.261 0.000 1.008 95 S HN 1.096 nan 8.310 nan 0.000 0.478 96 A N 3.596 126.269 122.820 -0.245 0.000 2.610 96 A HA 0.694 5.014 4.320 0.000 0.000 0.291 96 A C -2.094 175.376 177.584 -0.190 0.000 1.086 96 A CA -0.681 51.235 52.037 -0.203 0.000 0.677 96 A CB 0.695 19.593 19.000 -0.171 0.000 1.278 96 A HN 0.761 nan 8.150 nan 0.000 0.414 97 Y N 0.958 121.294 120.300 0.059 0.000 2.335 97 Y HA 0.411 4.961 4.550 0.000 0.000 0.331 97 Y C 1.576 177.575 175.900 0.165 0.000 1.094 97 Y CA 0.824 58.989 58.100 0.108 0.000 1.253 97 Y CB 1.540 40.105 38.460 0.174 0.000 1.203 97 Y HN 0.856 nan 8.280 nan 0.000 0.508 98 A N 2.306 125.293 122.820 0.279 0.000 1.933 98 A HA -0.215 4.105 4.320 0.000 0.000 0.218 98 A C 1.999 179.757 177.584 0.290 0.000 1.175 98 A CA 1.939 54.130 52.037 0.257 0.000 0.628 98 A CB -0.539 18.546 19.000 0.140 0.000 0.814 98 A HN 0.907 nan 8.150 nan 0.000 0.444 99 D N -0.658 119.900 120.400 0.264 0.000 2.117 99 D HA -0.185 4.455 4.640 0.000 0.000 0.198 99 D C 1.741 178.166 176.300 0.209 0.000 0.982 99 D CA 0.961 55.078 54.000 0.194 0.000 0.828 99 D CB -0.493 40.389 40.800 0.136 0.000 0.967 99 D HN 0.259 nan 8.370 nan 0.000 0.464 100 R N -0.262 120.400 120.500 0.271 0.000 2.092 100 R HA -0.024 4.316 4.340 0.000 0.000 0.231 100 R C 2.236 178.713 176.300 0.295 0.000 1.119 100 R CA 0.358 56.606 56.100 0.245 0.000 0.970 100 R CB -1.332 29.140 30.300 0.288 0.000 0.864 100 R HN 0.286 nan 8.270 nan 0.000 0.440 101 F N 0.690 120.761 119.950 0.202 0.000 2.060 101 F HA -0.026 4.501 4.527 0.000 0.000 0.295 101 F C 1.315 177.339 175.800 0.374 0.000 1.120 101 F CA 1.732 59.875 58.000 0.238 0.000 1.205 101 F CB -0.029 39.120 39.000 0.249 0.000 0.986 101 F HN 0.023 nan 8.300 nan 0.000 0.470 102 A N -1.551 121.413 122.820 0.240 0.000 2.543 102 A HA 0.558 4.878 4.320 0.000 0.000 0.279 102 A C 1.193 178.816 177.584 0.065 0.000 0.917 102 A CA 0.486 52.556 52.037 0.055 0.000 1.036 102 A CB -0.538 18.423 19.000 -0.065 0.000 1.227 102 A HN 0.992 nan 8.150 nan 0.000 0.503 103 G N 0.355 109.222 108.800 0.112 0.000 3.548 103 G HA2 -0.248 3.712 3.960 0.000 0.000 0.224 103 G HA3 -0.248 3.712 3.960 0.000 0.000 0.224 103 G C 0.839 175.782 174.900 0.071 0.000 1.351 103 G CA 1.238 46.382 45.100 0.074 0.000 0.905 103 G HN 2.126 nan 8.290 nan 0.000 0.561 104 T N -2.261 112.325 114.554 0.055 0.000 2.838 104 T HA 0.721 5.071 4.350 0.000 0.000 0.292 104 T C 1.327 176.051 174.700 0.039 0.000 1.113 104 T CA -0.008 62.118 62.100 0.044 0.000 1.008 104 T CB 1.522 70.400 68.868 0.017 0.000 1.259 104 T HN 0.456 nan 8.240 nan 0.000 0.520 105 L N 0.319 121.550 121.223 0.014 0.000 2.083 105 L HA -0.108 4.232 4.340 0.000 0.000 0.209 105 L C 3.053 179.918 176.870 -0.009 0.000 1.083 105 L CA 1.391 56.220 54.840 -0.018 0.000 0.752 105 L CB -0.583 41.439 42.059 -0.061 0.000 0.899 105 L HN 0.760 nan 8.230 nan 0.000 0.433 106 Q N -0.304 119.491 119.800 -0.010 0.000 2.167 106 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 106 Q C 2.305 178.292 176.000 -0.021 0.000 0.970 106 Q CA 1.282 57.075 55.803 -0.017 0.000 0.855 106 Q CB -0.259 28.465 28.738 -0.022 0.000 0.911 106 Q HN 0.611 nan 8.270 nan 0.000 0.438 107 G N 0.311 109.100 108.800 -0.018 0.000 2.421 107 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 107 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 107 G C 1.507 176.398 174.900 -0.014 0.000 1.171 107 G CA 0.805 45.877 45.100 -0.047 0.000 0.775 107 G HN 0.199 nan 8.290 nan 0.000 0.543 108 V N 1.747 121.713 119.914 0.087 0.000 2.287 108 V HA -0.187 3.933 4.120 0.000 0.000 0.248 108 V C 3.361 179.546 176.094 0.152 0.000 1.053 108 V CA 2.114 64.554 62.300 0.232 0.000 1.027 108 V CB -0.985 30.978 31.823 0.233 0.000 0.646 108 V HN 0.478 nan 8.190 nan 0.000 0.447 109 A N 0.824 123.681 122.820 0.061 0.000 1.940 109 A HA -0.273 4.047 4.320 0.000 0.000 0.219 109 A C 2.173 179.769 177.584 0.020 0.000 1.176 109 A CA 1.961 54.019 52.037 0.036 0.000 0.631 109 A CB -0.544 18.458 19.000 0.003 0.000 0.814 109 A HN 0.827 nan 8.150 nan 0.000 0.446 110 E N -1.389 118.799 120.200 -0.020 0.000 2.478 110 E HA -0.082 4.268 4.350 0.000 0.000 0.198 110 E C 1.249 177.799 176.600 -0.084 0.000 1.046 110 E CA 0.371 56.733 56.400 -0.063 0.000 0.870 110 E CB 0.001 29.635 29.700 -0.110 0.000 0.818 110 E HN 0.297 nan 8.360 nan 0.000 0.527 111 R N 0.573 121.052 120.500 -0.035 0.000 2.393 111 R HA 0.179 4.519 4.340 0.000 0.000 0.244 111 R C 1.693 178.135 176.300 0.237 0.000 0.920 111 R CA 0.070 56.174 56.100 0.006 0.000 1.076 111 R CB 0.101 30.352 30.300 -0.083 0.000 1.119 111 R HN 0.132 nan 8.270 nan 0.000 0.524 112 V N 1.814 121.829 119.914 0.169 0.000 2.380 112 V HA -0.176 3.944 4.120 0.000 0.000 0.251 112 V C -0.800 175.385 176.094 0.152 0.000 1.063 112 V CA 1.925 64.322 62.300 0.161 0.000 1.055 112 V CB -1.045 30.832 31.823 0.090 0.000 0.657 112 V HN 0.169 nan 8.190 nan 0.000 0.455 113 P HA -0.216 nan 4.420 nan 0.000 0.216 113 P C 1.615 179.015 177.300 0.167 0.000 1.153 113 P CA 1.577 64.746 63.100 0.116 0.000 0.858 113 P CB -0.136 31.618 31.700 0.091 0.000 0.789 114 Y N 0.370 120.751 120.300 0.135 0.000 2.128 114 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 114 Y C 2.017 178.013 175.900 0.160 0.000 1.154 114 Y CA 1.569 59.789 58.100 0.200 0.000 1.149 114 Y CB -1.040 37.637 38.460 0.362 0.000 0.976 114 Y HN -0.203 nan 8.280 nan 0.000 0.505 115 L N -0.107 121.243 121.223 0.212 0.000 2.083 115 L HA -0.248 4.092 4.340 0.000 0.000 0.209 115 L C 2.626 179.477 176.870 -0.033 0.000 1.083 115 L CA 1.759 56.599 54.840 -0.000 0.000 0.752 115 L CB -0.679 41.406 42.059 0.043 0.000 0.899 115 L HN 0.295 nan 8.230 nan 0.000 0.433 116 Q N 0.323 120.138 119.800 0.026 0.000 2.084 116 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 116 Q C 2.069 178.076 176.000 0.012 0.000 0.978 116 Q CA 1.659 57.478 55.803 0.028 0.000 0.844 116 Q CB 0.105 28.870 28.738 0.045 0.000 0.898 116 Q HN 0.487 nan 8.270 nan 0.000 0.426 117 E N 0.136 120.337 120.200 0.001 0.000 2.150 117 E HA -0.161 4.189 4.350 0.000 0.000 0.193 117 E C 1.938 178.547 176.600 0.016 0.000 0.985 117 E CA 0.684 57.098 56.400 0.023 0.000 0.814 117 E CB -0.048 29.676 29.700 0.040 0.000 0.752 117 E HN 0.373 nan 8.360 nan 0.000 0.466 118 L N -0.462 120.712 121.223 -0.081 0.000 2.217 118 L HA -0.062 4.278 4.340 0.000 0.000 0.211 118 L C 1.228 178.047 176.870 -0.084 0.000 1.107 118 L CA 1.152 55.908 54.840 -0.140 0.000 0.783 118 L CB -0.054 41.860 42.059 -0.240 0.000 0.919 118 L HN 0.436 nan 8.230 nan 0.000 0.442 119 G N -0.605 108.180 108.800 -0.025 0.000 2.144 119 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 119 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 119 G C 0.132 175.069 174.900 0.062 0.000 0.988 119 G CA 0.076 45.192 45.100 0.026 0.000 0.659 119 G HN 0.100 nan 8.290 nan 0.000 0.522 120 V N 1.212 121.152 119.914 0.044 0.000 2.655 120 V HA 0.369 4.489 4.120 0.000 0.000 0.300 120 V C 1.350 177.530 176.094 0.143 0.000 1.044 120 V CA 0.376 62.736 62.300 0.099 0.000 1.095 120 V CB 1.261 33.111 31.823 0.044 0.000 0.952 120 V HN 0.387 nan 8.190 nan 0.000 0.485 121 R N 3.156 123.785 120.500 0.214 0.000 2.541 121 R HA 0.214 4.554 4.340 0.000 0.000 0.332 121 R C -0.805 175.703 176.300 0.346 0.000 0.951 121 R CA -0.049 56.206 56.100 0.258 0.000 1.136 121 R CB 0.502 30.992 30.300 0.315 0.000 1.449 121 R HN 0.707 nan 8.270 nan 0.000 0.531 122 Y N 0.665 121.066 120.300 0.167 0.000 2.307 122 Y HA 0.439 4.989 4.550 0.000 0.000 0.323 122 Y C -1.730 174.272 175.900 0.169 0.000 1.100 122 Y CA -1.472 56.729 58.100 0.169 0.000 1.140 122 Y CB 1.270 39.823 38.460 0.155 0.000 1.159 122 Y HN -0.073 nan 8.280 nan 0.000 0.436 123 L N 7.194 128.468 121.223 0.086 0.000 2.294 123 L HA 0.412 4.752 4.340 0.000 0.000 0.283 123 L C -1.119 175.772 176.870 0.035 0.000 1.015 123 L CA -0.325 54.578 54.840 0.105 0.000 0.831 123 L CB 0.603 42.687 42.059 0.042 0.000 1.217 123 L HN 0.779 nan 8.230 nan 0.000 0.420 124 H N 6.307 125.398 119.070 0.036 0.000 2.705 124 H HA 0.364 4.920 4.556 -0.000 0.000 0.291 124 H C -1.258 174.085 175.328 0.026 0.000 1.085 124 H CA -0.794 55.264 56.048 0.017 0.000 1.357 124 H CB 0.772 30.612 29.762 0.131 0.000 1.419 124 H HN 0.602 nan 8.280 nan 0.000 0.462 125 L N 6.757 127.978 121.223 -0.005 0.000 2.289 125 L HA 0.218 4.558 4.340 0.000 0.000 0.285 125 L C 0.142 176.927 176.870 -0.142 0.000 1.049 125 L CA -0.657 54.119 54.840 -0.106 0.000 0.804 125 L CB 1.533 43.563 42.059 -0.048 0.000 1.195 125 L HN 0.552 nan 8.230 nan 0.000 0.428 126 L N 4.540 125.527 121.223 -0.393 0.000 2.476 126 L HA 0.133 4.473 4.340 0.000 0.000 0.264 126 L C -1.804 175.024 176.870 -0.069 0.000 1.224 126 L CA -1.481 53.113 54.840 -0.409 0.000 0.821 126 L CB -0.061 41.480 42.059 -0.865 0.000 1.101 126 L HN 0.390 nan 8.230 nan 0.000 0.488 127 P HA -0.201 nan 4.420 nan 0.000 0.241 127 P C -0.444 176.814 177.300 -0.070 0.000 1.093 127 P CA 1.055 63.968 63.100 -0.313 0.000 0.843 127 P CB -0.282 31.047 31.700 -0.618 0.000 0.760 128 F N 1.839 121.773 119.950 -0.027 0.000 2.688 128 F HA 0.354 4.881 4.527 -0.000 0.000 0.310 128 F C 0.084 175.889 175.800 0.008 0.000 1.098 128 F CA -0.709 57.297 58.000 0.010 0.000 1.228 128 F CB -0.299 38.717 39.000 0.026 0.000 1.042 128 F HN -0.046 nan 8.300 nan 0.000 0.557 129 L N 1.157 122.219 121.223 -0.268 0.000 2.439 129 L HA 0.409 4.749 4.340 0.000 0.000 0.259 129 L C 0.962 177.772 176.870 -0.099 0.000 1.129 129 L CA -1.038 53.708 54.840 -0.157 0.000 0.803 129 L CB 0.589 42.522 42.059 -0.210 0.000 1.161 129 L HN 0.024 nan 8.230 nan 0.000 0.462 130 R N 0.903 121.345 120.500 -0.096 0.000 2.494 130 R HA 0.181 4.522 4.340 0.000 0.000 0.291 130 R C -0.480 175.736 176.300 -0.139 0.000 0.953 130 R CA 0.084 56.117 56.100 -0.111 0.000 1.098 130 R CB 0.302 30.514 30.300 -0.146 0.000 0.911 130 R HN 0.710 nan 8.270 nan 0.000 0.407 131 A N 4.112 126.869 122.820 -0.105 0.000 2.350 131 A HA 0.417 4.737 4.320 0.000 0.000 0.318 131 A C -0.436 177.080 177.584 -0.113 0.000 1.132 131 A CA -0.800 51.178 52.037 -0.097 0.000 0.811 131 A CB 1.041 20.008 19.000 -0.055 0.000 1.313 131 A HN 0.794 nan 8.150 nan 0.000 0.454 132 R N 0.461 120.892 120.500 -0.114 0.000 2.583 132 R HA 0.256 4.596 4.340 0.000 0.000 0.274 132 R C 0.510 176.707 176.300 -0.172 0.000 0.998 132 R CA 0.523 56.528 56.100 -0.157 0.000 1.081 132 R CB 0.251 30.438 30.300 -0.188 0.000 0.940 132 R HN 0.891 nan 8.270 nan 0.000 0.413 133 A N 3.259 125.978 122.820 -0.169 0.000 2.540 133 A HA 0.396 4.716 4.320 0.000 0.000 0.239 133 A C 1.038 178.506 177.584 -0.193 0.000 1.061 133 A CA 0.639 52.582 52.037 -0.156 0.000 0.758 133 A CB -0.175 18.743 19.000 -0.136 0.000 0.991 133 A HN 1.075 nan 8.150 nan 0.000 0.502 134 G N 1.531 110.219 108.800 -0.187 0.000 2.514 134 G HA2 -0.221 3.739 3.960 0.000 0.000 0.265 134 G HA3 -0.221 3.739 3.960 0.000 0.000 0.265 134 G C 0.002 174.754 174.900 -0.246 0.000 1.150 134 G CA 0.365 45.331 45.100 -0.224 0.000 0.959 134 G HN 1.064 nan 8.290 nan 0.000 0.556 135 D N 2.555 122.774 120.400 -0.302 0.000 2.425 135 D HA 0.323 4.963 4.640 0.000 0.000 0.247 135 D C 1.161 177.142 176.300 -0.532 0.000 1.147 135 D CA 0.687 54.485 54.000 -0.337 0.000 0.879 135 D CB -0.141 40.459 40.800 -0.333 0.000 1.179 135 D HN 0.647 nan 8.370 nan 0.000 0.456 136 N N 1.956 120.509 118.700 -0.245 0.000 2.361 136 N HA -0.018 4.722 4.740 0.000 0.000 0.253 136 N C -0.575 175.036 175.510 0.168 0.000 1.413 136 N CA -0.417 52.576 53.050 -0.095 0.000 0.821 136 N CB 0.306 38.752 38.487 -0.068 0.000 1.380 136 N HN 0.167 nan 8.380 nan 0.000 0.493 137 D N 1.871 122.371 120.400 0.166 0.000 2.735 137 D HA -0.165 4.476 4.640 0.000 0.000 0.235 137 D C 1.126 177.646 176.300 0.367 0.000 1.175 137 D CA 1.747 55.879 54.000 0.220 0.000 0.683 137 D CB -1.487 39.482 40.800 0.281 0.000 1.008 137 D HN 0.756 nan 8.370 nan 0.000 0.416 138 G N -0.182 108.819 108.800 0.335 0.000 2.341 138 G HA2 0.060 4.020 3.960 0.000 0.000 0.292 138 G HA3 0.060 4.020 3.960 0.000 0.000 0.292 138 G C 1.424 176.505 174.900 0.301 0.000 1.021 138 G CA 0.948 46.279 45.100 0.384 0.000 0.905 138 G HN 1.812 nan 8.290 nan 0.000 0.508 139 G N -2.148 106.758 108.800 0.176 0.000 2.213 139 G HA2 -0.234 3.726 3.960 0.000 0.000 0.236 139 G HA3 -0.234 3.726 3.960 0.000 0.000 0.236 139 G C 0.898 175.744 174.900 -0.089 0.000 0.991 139 G CA 0.644 45.748 45.100 0.005 0.000 0.629 139 G HN 0.946 nan 8.290 nan 0.000 0.517 140 F N 1.936 121.988 119.950 0.170 0.000 2.771 140 F HA 0.481 5.008 4.527 0.000 0.000 0.299 140 F C 1.973 177.908 175.800 0.225 0.000 1.177 140 F CA 1.011 59.121 58.000 0.183 0.000 1.450 140 F CB 0.362 39.481 39.000 0.199 0.000 1.114 140 F HN 0.392 nan 8.300 nan 0.000 0.587 141 A N 0.967 123.977 122.820 0.317 0.000 2.582 141 A HA 0.541 4.861 4.320 0.000 0.000 0.336 141 A C -0.296 177.348 177.584 0.100 0.000 1.445 141 A CA -0.422 51.790 52.037 0.291 0.000 0.997 141 A CB -0.534 18.676 19.000 0.350 0.000 1.148 141 A HN -0.039 nan 8.150 nan 0.000 0.514 142 V N 2.910 122.854 119.914 0.050 0.000 2.488 142 V HA 0.206 4.326 4.120 0.000 0.000 0.277 142 V C 1.408 177.385 176.094 -0.194 0.000 1.046 142 V CA 0.819 63.031 62.300 -0.147 0.000 0.986 142 V CB 1.103 32.732 31.823 -0.323 0.000 0.989 142 V HN 1.010 nan 8.190 nan 0.000 0.475 143 S N 1.320 116.875 115.700 -0.242 0.000 2.523 143 S HA 0.176 4.646 4.470 0.000 0.000 0.217 143 S C 0.253 174.491 174.600 -0.603 0.000 0.996 143 S CA -0.054 57.965 58.200 -0.301 0.000 0.921 143 S CB 0.254 63.303 63.200 -0.250 0.000 0.829 143 S HN 0.761 nan 8.310 nan 0.000 0.495 144 D N -0.218 119.870 120.400 -0.519 0.000 2.591 144 D HA 0.249 4.889 4.640 0.000 0.000 0.222 144 D C -0.847 175.263 176.300 -0.316 0.000 1.360 144 D CA -0.450 53.245 54.000 -0.508 0.000 0.967 144 D CB 0.752 41.345 40.800 -0.346 0.000 1.456 144 D HN 0.019 nan 8.370 nan 0.000 0.588 145 Y N 1.279 121.562 120.300 -0.028 0.000 2.583 145 Y HA 0.195 4.745 4.550 0.000 0.000 0.293 145 Y C 2.253 178.186 175.900 0.055 0.000 1.157 145 Y CA 0.849 58.995 58.100 0.077 0.000 1.315 145 Y CB 0.649 39.243 38.460 0.223 0.000 1.021 145 Y HN 0.500 nan 8.280 nan 0.000 0.536 146 G N -0.906 107.960 108.800 0.110 0.000 3.393 146 G HA2 0.211 4.171 3.960 0.000 0.000 0.255 146 G HA3 0.211 4.171 3.960 0.000 0.000 0.255 146 G C -0.101 174.825 174.900 0.043 0.000 1.097 146 G CA 0.003 45.156 45.100 0.089 0.000 0.780 146 G HN 0.241 nan 8.290 nan 0.000 0.540 147 Q N 0.106 119.912 119.800 0.010 0.000 2.309 147 Q HA 0.491 4.831 4.340 0.000 0.000 0.273 147 Q C -0.869 175.144 176.000 0.022 0.000 1.040 147 Q CA -0.549 55.259 55.803 0.008 0.000 0.834 147 Q CB 2.334 31.049 28.738 -0.039 0.000 1.345 147 Q HN -0.077 nan 8.270 nan 0.000 0.414 148 V N 2.895 122.855 119.914 0.076 0.000 2.843 148 V HA 0.056 4.176 4.120 0.000 0.000 0.305 148 V C 0.291 176.422 176.094 0.061 0.000 1.065 148 V CA 0.028 62.404 62.300 0.128 0.000 1.116 148 V CB 1.101 33.019 31.823 0.158 0.000 0.968 148 V HN 0.882 nan 8.190 nan 0.000 0.487 149 E N 6.497 126.741 120.200 0.073 0.000 2.417 149 E HA 0.055 4.405 4.350 0.000 0.000 0.261 149 E C -1.885 174.734 176.600 0.032 0.000 1.000 149 E CA -0.985 55.433 56.400 0.031 0.000 0.919 149 E CB 1.097 30.825 29.700 0.047 0.000 0.955 149 E HN 0.355 nan 8.360 nan 0.000 0.455 150 P HA -0.217 nan 4.420 nan 0.000 0.216 150 P C 0.995 178.301 177.300 0.010 0.000 1.150 150 P CA 1.831 64.933 63.100 0.002 0.000 0.843 150 P CB 0.051 31.741 31.700 -0.016 0.000 0.787 151 S N -1.348 114.358 115.700 0.010 0.000 2.469 151 S HA -0.094 4.376 4.470 0.000 0.000 0.238 151 S C 1.724 176.342 174.600 0.031 0.000 0.998 151 S CA 1.022 59.230 58.200 0.014 0.000 0.957 151 S CB -1.367 61.840 63.200 0.012 0.000 0.764 151 S HN 0.119 nan 8.310 nan 0.000 0.514 152 L N 0.426 121.678 121.223 0.048 0.000 2.513 152 L HA 0.426 4.766 4.340 0.000 0.000 0.222 152 L C 1.456 178.353 176.870 0.044 0.000 1.096 152 L CA 0.346 55.224 54.840 0.063 0.000 0.857 152 L CB -0.089 42.035 42.059 0.109 0.000 1.026 152 L HN 0.653 nan 8.230 nan 0.000 0.469 153 G N -0.487 108.335 108.800 0.036 0.000 2.302 153 G HA2 0.030 3.990 3.960 0.000 0.000 0.264 153 G HA3 0.030 3.990 3.960 0.000 0.000 0.264 153 G C -1.105 173.811 174.900 0.027 0.000 1.335 153 G CA -0.107 45.006 45.100 0.023 0.000 0.982 153 G HN 0.123 nan 8.290 nan 0.000 0.473 154 S N -1.075 114.638 115.700 0.022 0.000 2.715 154 S HA 0.625 5.095 4.470 0.000 0.000 0.307 154 S C 0.758 175.379 174.600 0.035 0.000 1.119 154 S CA -0.045 58.169 58.200 0.024 0.000 0.937 154 S CB 1.908 65.115 63.200 0.011 0.000 1.150 154 S HN 0.541 nan 8.310 nan 0.000 0.521 155 N N 1.224 119.947 118.700 0.038 0.000 2.309 155 N HA -0.038 4.702 4.740 0.000 0.000 0.182 155 N C 0.916 176.444 175.510 0.031 0.000 1.018 155 N CA 1.188 54.267 53.050 0.049 0.000 0.876 155 N CB -0.468 38.046 38.487 0.046 0.000 0.972 155 N HN 0.593 nan 8.380 nan 0.000 0.434 156 D N 0.737 121.147 120.400 0.017 0.000 2.117 156 D HA -0.110 4.530 4.640 0.000 0.000 0.197 156 D C 0.998 177.299 176.300 0.002 0.000 0.987 156 D CA 0.908 54.913 54.000 0.008 0.000 0.829 156 D CB -0.154 40.647 40.800 0.002 0.000 0.961 156 D HN 0.271 nan 8.370 nan 0.000 0.460 157 D N 0.677 121.078 120.400 0.001 0.000 2.178 157 D HA -0.108 4.532 4.640 0.000 0.000 0.201 157 D C 2.249 178.536 176.300 -0.021 0.000 0.980 157 D CA 0.145 54.139 54.000 -0.010 0.000 0.842 157 D CB -0.202 40.593 40.800 -0.009 0.000 0.948 157 D HN 0.235 nan 8.370 nan 0.000 0.472 158 L N 0.641 121.857 121.223 -0.011 0.000 2.027 158 L HA -0.150 4.190 4.340 0.000 0.000 0.206 158 L C 2.256 179.114 176.870 -0.019 0.000 1.074 158 L CA 0.911 55.733 54.840 -0.029 0.000 0.745 158 L CB -0.062 42.019 42.059 0.036 0.000 0.898 158 L HN -0.134 nan 8.230 nan 0.000 0.433 159 V N 0.347 120.262 119.914 0.001 0.000 2.343 159 V HA -0.260 3.860 4.120 0.000 0.000 0.247 159 V C 2.818 178.906 176.094 -0.010 0.000 1.051 159 V CA 1.638 63.938 62.300 0.001 0.000 1.036 159 V CB -0.923 30.905 31.823 0.008 0.000 0.654 159 V HN 0.595 nan 8.190 nan 0.000 0.451 160 A N -0.652 122.160 122.820 -0.013 0.000 1.930 160 A HA -0.128 4.192 4.320 0.000 0.000 0.217 160 A C 2.268 179.840 177.584 -0.020 0.000 1.175 160 A CA 1.641 53.670 52.037 -0.015 0.000 0.627 160 A CB -0.435 18.557 19.000 -0.014 0.000 0.815 160 A HN 0.464 nan 8.150 nan 0.000 0.443 161 L N 0.197 121.401 121.223 -0.031 0.000 2.005 161 L HA -0.156 4.184 4.340 0.000 0.000 0.207 161 L C 2.958 179.806 176.870 -0.037 0.000 1.072 161 L CA 2.402 57.219 54.840 -0.039 0.000 0.744 161 L CB -0.755 41.261 42.059 -0.073 0.000 0.895 161 L HN 0.652 nan 8.230 nan 0.000 0.433 162 T N -4.117 110.411 114.554 -0.043 0.000 2.788 162 T HA -0.139 4.211 4.350 0.000 0.000 0.268 162 T C 1.950 176.635 174.700 -0.026 0.000 1.044 162 T CA 1.450 63.526 62.100 -0.038 0.000 1.139 162 T CB -0.434 68.413 68.868 -0.036 0.000 0.867 162 T HN 0.261 nan 8.240 nan 0.000 0.454 163 S N 1.402 117.090 115.700 -0.020 0.000 2.368 163 S HA -0.044 4.426 4.470 0.000 0.000 0.225 163 S C 2.157 176.749 174.600 -0.013 0.000 1.030 163 S CA 1.360 59.551 58.200 -0.016 0.000 0.999 163 S CB -0.368 62.824 63.200 -0.013 0.000 0.844 163 S HN 0.560 nan 8.310 nan 0.000 0.459 164 R N 1.507 122.001 120.500 -0.011 0.000 2.066 164 R HA 0.098 4.438 4.340 0.000 0.000 0.232 164 R C 2.057 178.358 176.300 0.002 0.000 1.131 164 R CA 1.275 57.373 56.100 -0.004 0.000 0.955 164 R CB -0.829 29.470 30.300 -0.001 0.000 0.851 164 R HN 0.361 nan 8.270 nan 0.000 0.432 165 L N 0.105 121.328 121.223 -0.001 0.000 2.012 165 L HA -0.174 4.166 4.340 0.000 0.000 0.210 165 L C 2.814 179.687 176.870 0.005 0.000 1.073 165 L CA 1.886 56.730 54.840 0.006 0.000 0.748 165 L CB -0.477 41.579 42.059 -0.006 0.000 0.891 165 L HN 0.269 nan 8.230 nan 0.000 0.431 166 R N 0.130 120.624 120.500 -0.010 0.000 2.105 166 R HA -0.195 4.145 4.340 0.000 0.000 0.239 166 R C 2.182 178.474 176.300 -0.013 0.000 1.135 166 R CA 1.657 57.746 56.100 -0.018 0.000 0.967 166 R CB -0.076 30.205 30.300 -0.031 0.000 0.861 166 R HN 0.478 nan 8.270 nan 0.000 0.442 167 E N -0.432 119.763 120.200 -0.008 0.000 2.077 167 E HA -0.166 4.184 4.350 0.000 0.000 0.193 167 E C 1.569 178.169 176.600 0.001 0.000 0.989 167 E CA 1.165 57.561 56.400 -0.007 0.000 0.800 167 E CB -0.077 29.621 29.700 -0.004 0.000 0.746 167 E HN 0.366 nan 8.360 nan 0.000 0.452 168 A N 0.614 123.441 122.820 0.011 0.000 2.259 168 A HA 0.266 4.586 4.320 0.000 0.000 0.208 168 A C 1.517 179.118 177.584 0.029 0.000 1.201 168 A CA 0.659 52.709 52.037 0.022 0.000 0.824 168 A CB -0.437 18.583 19.000 0.033 0.000 0.838 168 A HN 0.311 nan 8.150 nan 0.000 0.485 169 G N -0.536 108.278 108.800 0.023 0.000 2.225 169 G HA2 -0.217 3.743 3.960 0.000 0.000 0.264 169 G HA3 -0.217 3.743 3.960 0.000 0.000 0.264 169 G C -0.127 174.825 174.900 0.086 0.000 1.060 169 G CA 0.437 45.560 45.100 0.038 0.000 0.833 169 G HN 0.543 nan 8.290 nan 0.000 0.498 170 I N 0.501 121.114 120.570 0.072 0.000 2.433 170 I HA 0.426 4.596 4.170 0.000 0.000 0.292 170 I C 0.180 176.340 176.117 0.072 0.000 1.001 170 I CA -0.775 60.584 61.300 0.099 0.000 1.119 170 I CB 2.165 40.210 38.000 0.076 0.000 1.289 170 I HN 0.056 nan 8.210 nan 0.000 0.438 171 S N 6.244 122.014 115.700 0.116 0.000 2.438 171 S HA 0.397 4.867 4.470 0.000 0.000 0.293 171 S C -0.411 174.138 174.600 -0.085 0.000 1.141 171 S CA -0.499 57.735 58.200 0.057 0.000 1.080 171 S CB 1.108 64.455 63.200 0.245 0.000 0.978 171 S HN 0.382 nan 8.310 nan 0.000 0.479 172 L N 4.442 125.600 121.223 -0.109 0.000 2.360 172 L HA 0.407 4.747 4.340 0.000 0.000 0.276 172 L C -0.214 176.510 176.870 -0.243 0.000 1.121 172 L CA -0.135 54.615 54.840 -0.151 0.000 0.845 172 L CB 0.292 42.288 42.059 -0.105 0.000 1.143 172 L HN 0.810 nan 8.230 nan 0.000 0.452 173 C N 5.912 125.036 119.300 -0.294 0.000 2.319 173 C HA 0.917 5.377 4.460 0.000 0.000 0.335 173 C C 0.229 175.225 174.990 0.010 0.000 1.274 173 C CA -0.126 58.707 59.018 -0.308 0.000 1.806 173 C CB -0.416 27.003 27.740 -0.535 0.000 2.329 173 C HN 1.058 nan 8.230 nan 0.000 0.524 174 A N 5.062 127.870 122.820 -0.019 0.000 2.413 174 A HA 0.661 4.981 4.320 0.000 0.000 0.307 174 A C -0.730 176.953 177.584 0.165 0.000 1.087 174 A CA -0.463 51.689 52.037 0.192 0.000 0.750 174 A CB 0.836 19.955 19.000 0.198 0.000 1.296 174 A HN 0.885 nan 8.150 nan 0.000 0.423 175 D N 0.682 121.196 120.400 0.190 0.000 2.350 175 D HA 0.299 4.939 4.640 0.000 0.000 0.249 175 D C -1.460 175.048 176.300 0.346 0.000 1.119 175 D CA 0.837 54.977 54.000 0.233 0.000 0.886 175 D CB 1.081 41.966 40.800 0.142 0.000 1.195 175 D HN 0.287 nan 8.370 nan 0.000 0.437 176 F N 3.112 123.194 119.950 0.219 0.000 2.434 176 F HA 0.175 4.702 4.527 -0.000 0.000 0.367 176 F C -0.492 175.398 175.800 0.150 0.000 1.093 176 F CA -1.174 56.946 58.000 0.199 0.000 1.085 176 F CB 0.756 39.868 39.000 0.188 0.000 1.322 176 F HN -0.035 nan 8.300 nan 0.000 0.452 177 V N 8.228 128.189 119.914 0.077 0.000 2.149 177 V HA -0.039 4.081 4.120 0.000 0.000 0.245 177 V C 0.971 176.899 176.094 -0.276 0.000 1.349 177 V CA -0.113 62.170 62.300 -0.028 0.000 1.289 177 V CB -0.622 31.287 31.823 0.142 0.000 1.401 177 V HN 0.619 nan 8.190 nan 0.000 0.501 178 L N 1.141 122.078 121.223 -0.477 0.000 2.554 178 L HA 0.223 4.563 4.340 0.000 0.000 0.226 178 L C 1.557 178.470 176.870 0.072 0.000 1.137 178 L CA 0.957 55.561 54.840 -0.394 0.000 0.863 178 L CB -1.707 40.076 42.059 -0.460 0.000 0.985 178 L HN 0.416 nan 8.230 nan 0.000 0.451 179 N N -0.039 118.604 118.700 -0.095 0.000 2.300 179 N HA -0.082 4.658 4.740 0.000 0.000 0.179 179 N C 0.312 175.943 175.510 0.202 0.000 1.016 179 N CA 0.883 53.998 53.050 0.109 0.000 0.876 179 N CB 0.171 38.724 38.487 0.111 0.000 0.979 179 N HN 0.727 nan 8.380 nan 0.000 0.432 180 H N -3.563 115.675 119.070 0.280 0.000 3.017 180 H HA 0.411 4.967 4.556 -0.000 0.000 0.346 180 H C -1.056 174.485 175.328 0.356 0.000 1.286 180 H CA -0.794 55.461 56.048 0.344 0.000 1.120 180 H CB 0.801 30.751 29.762 0.313 0.000 1.860 180 H HN 0.045 nan 8.280 nan 0.000 0.542 181 T N -1.473 113.393 114.554 0.521 0.000 2.930 181 T HA 0.733 5.083 4.350 0.000 0.000 0.290 181 T C 0.301 175.151 174.700 0.251 0.000 1.052 181 T CA -0.390 61.915 62.100 0.342 0.000 1.017 181 T CB 1.781 70.802 68.868 0.256 0.000 1.137 181 T HN 0.939 nan 8.240 nan 0.000 0.511 182 A N 1.408 124.302 122.820 0.122 0.000 2.448 182 A HA 0.365 4.685 4.320 0.000 0.000 0.239 182 A C 1.080 178.534 177.584 -0.217 0.000 1.080 182 A CA 0.032 52.085 52.037 0.027 0.000 0.779 182 A CB -0.274 18.711 19.000 -0.026 0.000 1.026 182 A HN 0.984 nan 8.150 nan 0.000 0.499 183 D N -0.168 119.969 120.400 -0.438 0.000 2.324 183 D HA -0.026 4.614 4.640 0.000 0.000 0.235 183 D C 0.102 176.009 176.300 -0.654 0.000 1.095 183 D CA 0.699 54.072 54.000 -1.044 0.000 0.871 183 D CB 0.126 40.179 40.800 -1.246 0.000 0.906 183 D HN 0.523 nan 8.370 nan 0.000 0.522 184 D N -1.347 118.844 120.400 -0.347 0.000 2.535 184 D HA -0.048 4.592 4.640 0.000 0.000 0.229 184 D C 0.342 176.525 176.300 -0.194 0.000 1.238 184 D CA -0.552 53.302 54.000 -0.243 0.000 0.824 184 D CB -0.892 39.789 40.800 -0.198 0.000 1.045 184 D HN 0.222 nan 8.370 nan 0.000 0.500 185 H N 1.051 119.970 119.070 -0.251 0.000 2.790 185 H HA 0.318 4.874 4.556 0.000 0.000 0.358 185 H C 1.281 176.488 175.328 -0.201 0.000 1.103 185 H CA 0.839 56.745 56.048 -0.236 0.000 1.426 185 H CB 1.806 31.468 29.762 -0.165 0.000 1.424 185 H HN 0.049 nan 8.280 nan 0.000 0.599 186 A N 5.075 127.647 122.820 -0.413 0.000 1.927 186 A HA -0.236 4.084 4.320 0.000 0.000 0.220 186 A C 2.143 179.749 177.584 0.037 0.000 1.185 186 A CA 1.516 53.418 52.037 -0.225 0.000 0.639 186 A CB -0.794 17.977 19.000 -0.382 0.000 0.820 186 A HN 0.816 nan 8.150 nan 0.000 0.451 187 W N -0.627 120.832 121.300 0.265 0.000 2.355 187 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 187 W C 2.866 179.564 176.519 0.298 0.000 1.206 187 W CA 0.839 58.242 57.345 0.097 0.000 1.284 187 W CB -1.406 28.140 29.460 0.143 0.000 1.145 187 W HN 0.459 nan 8.180 nan 0.000 0.502 188 A N 0.135 123.293 122.820 0.562 0.000 1.902 188 A HA -0.207 4.113 4.320 0.000 0.000 0.217 188 A C 2.037 179.701 177.584 0.134 0.000 1.181 188 A CA 1.498 53.683 52.037 0.247 0.000 0.623 188 A CB -0.741 18.027 19.000 -0.386 0.000 0.818 188 A HN 0.202 nan 8.150 nan 0.000 0.443 189 Q N -0.412 119.414 119.800 0.044 0.000 2.084 189 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 189 Q C 2.398 178.427 176.000 0.049 0.000 0.978 189 Q CA 1.603 57.409 55.803 0.005 0.000 0.844 189 Q CB -0.758 27.947 28.738 -0.055 0.000 0.898 189 Q HN 0.659 nan 8.270 nan 0.000 0.426 190 A N 1.089 123.946 122.820 0.061 0.000 1.930 190 A HA -0.040 4.280 4.320 0.000 0.000 0.217 190 A C 2.332 180.009 177.584 0.154 0.000 1.175 190 A CA 1.733 53.811 52.037 0.067 0.000 0.627 190 A CB -0.559 18.413 19.000 -0.047 0.000 0.815 190 A HN 0.355 nan 8.150 nan 0.000 0.443 191 A N 0.037 122.996 122.820 0.231 0.000 1.855 191 A HA -0.149 4.171 4.320 0.000 0.000 0.215 191 A C 2.201 179.863 177.584 0.131 0.000 1.191 191 A CA 1.455 53.621 52.037 0.215 0.000 0.613 191 A CB -0.497 18.711 19.000 0.348 0.000 0.829 191 A HN 0.525 nan 8.150 nan 0.000 0.442 192 R N -0.457 120.136 120.500 0.155 0.000 2.159 192 R HA -0.094 4.246 4.340 0.000 0.000 0.237 192 R C 2.076 178.407 176.300 0.052 0.000 1.131 192 R CA 1.085 57.246 56.100 0.101 0.000 0.982 192 R CB -0.392 29.964 30.300 0.094 0.000 0.868 192 R HN 0.508 nan 8.270 nan 0.000 0.453 193 A N -0.226 122.626 122.820 0.053 0.000 2.208 193 A HA 0.202 4.522 4.320 0.000 0.000 0.209 193 A C 1.409 179.014 177.584 0.036 0.000 1.161 193 A CA 0.878 52.937 52.037 0.037 0.000 0.782 193 A CB 0.104 19.124 19.000 0.033 0.000 0.816 193 A HN 0.447 nan 8.150 nan 0.000 0.477 194 G N -0.798 108.025 108.800 0.038 0.000 2.148 194 G HA2 -0.176 3.784 3.960 0.000 0.000 0.203 194 G HA3 -0.176 3.784 3.960 0.000 0.000 0.203 194 G C -0.244 174.676 174.900 0.033 0.000 0.993 194 G CA 0.122 45.237 45.100 0.025 0.000 0.661 194 G HN 0.469 nan 8.290 nan 0.000 0.518 195 D N 0.919 121.358 120.400 0.065 0.000 2.336 195 D HA 0.608 5.248 4.640 0.000 0.000 0.249 195 D C 1.542 177.861 176.300 0.031 0.000 1.213 195 D CA 0.487 54.535 54.000 0.080 0.000 0.870 195 D CB 1.018 41.932 40.800 0.189 0.000 1.076 195 D HN 0.360 nan 8.370 nan 0.000 0.483 196 A N 5.049 127.862 122.820 -0.012 0.000 2.067 196 A HA -0.154 4.166 4.320 0.000 0.000 0.219 196 A C 2.116 179.643 177.584 -0.094 0.000 1.158 196 A CA 0.921 52.928 52.037 -0.051 0.000 0.661 196 A CB -0.155 18.828 19.000 -0.028 0.000 0.801 196 A HN 0.637 nan 8.150 nan 0.000 0.452 197 R N -1.725 118.686 120.500 -0.148 0.000 2.066 197 R HA -0.135 4.205 4.340 0.000 0.000 0.232 197 R C 1.547 177.537 176.300 -0.515 0.000 1.131 197 R CA 1.828 57.728 56.100 -0.334 0.000 0.955 197 R CB -0.286 29.727 30.300 -0.479 0.000 0.851 197 R HN 0.599 nan 8.270 nan 0.000 0.432 198 Y N 0.064 120.260 120.300 -0.174 0.000 2.519 198 Y HA -0.008 4.542 4.550 -0.000 0.000 0.287 198 Y C 1.949 177.841 175.900 -0.015 0.000 1.128 198 Y CA 0.281 58.196 58.100 -0.309 0.000 1.282 198 Y CB -0.036 38.281 38.460 -0.238 0.000 1.027 198 Y HN 0.096 nan 8.280 nan 0.000 0.551 199 L N 0.057 121.315 121.223 0.057 0.000 2.056 199 L HA -0.214 4.126 4.340 0.000 0.000 0.207 199 L C 1.024 177.854 176.870 -0.067 0.000 1.078 199 L CA 1.715 56.531 54.840 -0.041 0.000 0.749 199 L CB -0.246 41.628 42.059 -0.308 0.000 0.901 199 L HN 0.165 nan 8.230 nan 0.000 0.433 200 D N -0.991 119.385 120.400 -0.040 0.000 2.392 200 D HA -0.153 4.487 4.640 0.000 0.000 0.228 200 D C 1.331 177.619 176.300 -0.020 0.000 1.003 200 D CA 0.654 54.684 54.000 0.049 0.000 0.917 200 D CB 0.021 40.820 40.800 -0.000 0.000 0.890 200 D HN 0.344 nan 8.370 nan 0.000 0.532 201 Y N -0.808 119.301 120.300 -0.318 0.000 2.490 201 Y HA 0.074 4.624 4.550 0.000 0.000 0.281 201 Y C 0.024 175.471 175.900 -0.754 0.000 1.174 201 Y CA 0.044 57.761 58.100 -0.640 0.000 1.295 201 Y CB -0.141 37.817 38.460 -0.837 0.000 1.062 201 Y HN -0.097 nan 8.280 nan 0.000 0.522 202 Y N -2.280 118.030 120.300 0.017 0.000 2.662 202 Y HA 0.419 4.969 4.550 -0.000 0.000 0.335 202 Y C -0.448 175.394 175.900 -0.096 0.000 1.066 202 Y CA -1.802 56.302 58.100 0.006 0.000 1.116 202 Y CB 0.692 39.248 38.460 0.160 0.000 1.308 202 Y HN -0.186 nan 8.280 nan 0.000 0.502 203 H N 1.421 120.636 119.070 0.240 0.000 2.705 203 H HA 0.279 4.835 4.556 0.000 0.000 0.291 203 H C -0.660 174.645 175.328 -0.038 0.000 1.085 203 H CA -0.419 55.668 56.048 0.063 0.000 1.357 203 H CB -0.022 29.926 29.762 0.311 0.000 1.419 203 H HN 0.449 nan 8.280 nan 0.000 0.462 204 H N 2.026 120.829 119.070 -0.446 0.000 2.637 204 H HA 0.440 4.996 4.556 0.000 0.000 0.363 204 H C -1.498 173.375 175.328 -0.758 0.000 1.131 204 H CA -1.189 54.627 56.048 -0.387 0.000 1.183 204 H CB 1.140 30.765 29.762 -0.229 0.000 1.637 204 H HN 0.360 nan 8.280 nan 0.000 0.531 205 F N 0.154 120.242 119.950 0.230 0.000 2.578 205 F HA 0.526 5.053 4.527 0.000 0.000 0.311 205 F C 0.997 176.965 175.800 0.279 0.000 1.094 205 F CA -0.574 57.541 58.000 0.191 0.000 0.923 205 F CB 2.111 41.215 39.000 0.172 0.000 1.230 205 F HN 0.726 nan 8.300 nan 0.000 0.450 206 A N 0.522 123.579 122.820 0.394 0.000 1.897 206 A HA 0.066 4.386 4.320 0.000 0.000 0.215 206 A C 0.300 178.152 177.584 0.447 0.000 1.181 206 A CA 1.423 53.673 52.037 0.356 0.000 0.620 206 A CB -0.333 18.811 19.000 0.241 0.000 0.821 206 A HN 0.723 nan 8.150 nan 0.000 0.443 207 D N -2.734 117.883 120.400 0.361 0.000 2.621 207 D HA 0.485 5.125 4.640 0.000 0.000 0.255 207 D C 0.572 176.947 176.300 0.126 0.000 1.122 207 D CA -0.608 53.554 54.000 0.270 0.000 1.096 207 D CB 0.583 41.452 40.800 0.115 0.000 1.282 207 D HN -0.011 nan 8.370 nan 0.000 0.619 208 R N -0.243 120.188 120.500 -0.115 0.000 2.356 208 R HA 0.119 4.459 4.340 0.000 0.000 0.234 208 R C 0.889 176.964 176.300 -0.375 0.000 0.929 208 R CA 0.128 55.938 56.100 -0.484 0.000 1.084 208 R CB 0.010 29.947 30.300 -0.605 0.000 1.105 208 R HN 0.390 nan 8.270 nan 0.000 0.515 209 T N 0.551 114.979 114.554 -0.209 0.000 2.595 209 T HA -0.143 4.207 4.350 0.000 0.000 0.264 209 T C 1.929 176.467 174.700 -0.269 0.000 1.058 209 T CA 1.523 63.513 62.100 -0.184 0.000 1.166 209 T CB -0.103 68.714 68.868 -0.085 0.000 0.863 209 T HN -0.007 nan 8.240 nan 0.000 0.415 210 V N 2.337 122.074 119.914 -0.295 0.000 2.358 210 V HA -0.083 4.037 4.120 0.000 0.000 0.246 210 V C -0.564 175.177 176.094 -0.588 0.000 1.047 210 V CA 1.623 63.671 62.300 -0.420 0.000 1.035 210 V CB -1.521 30.033 31.823 -0.448 0.000 0.658 210 V HN 0.359 nan 8.190 nan 0.000 0.452 211 P HA -0.144 nan 4.420 nan 0.000 0.216 211 P C 1.254 178.110 177.300 -0.740 0.000 1.150 211 P CA 1.539 63.878 63.100 -1.268 0.000 0.843 211 P CB -0.044 30.532 31.700 -1.873 0.000 0.787 212 D N -1.098 118.967 120.400 -0.559 0.000 2.144 212 D HA -0.109 4.531 4.640 0.000 0.000 0.200 212 D C 2.050 178.196 176.300 -0.258 0.000 0.978 212 D CA 0.984 54.763 54.000 -0.369 0.000 0.833 212 D CB -0.286 40.328 40.800 -0.310 0.000 0.961 212 D HN 0.165 nan 8.370 nan 0.000 0.470 213 R N -0.180 120.156 120.500 -0.274 0.000 2.080 213 R HA -0.177 4.163 4.340 0.000 0.000 0.236 213 R C 2.438 178.620 176.300 -0.198 0.000 1.137 213 R CA 1.175 57.127 56.100 -0.246 0.000 0.943 213 R CB -0.452 29.657 30.300 -0.319 0.000 0.846 213 R HN 0.251 nan 8.270 nan 0.000 0.431 214 Y N 1.301 121.490 120.300 -0.184 0.000 2.165 214 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 214 Y C 2.424 178.274 175.900 -0.083 0.000 1.155 214 Y CA 1.260 59.310 58.100 -0.084 0.000 1.164 214 Y CB -0.194 38.230 38.460 -0.061 0.000 0.978 214 Y HN 0.043 nan 8.280 nan 0.000 0.513 215 E N -0.264 119.944 120.200 0.012 0.000 2.267 215 E HA -0.215 4.135 4.350 0.000 0.000 0.197 215 E C 2.363 178.943 176.600 -0.033 0.000 0.998 215 E CA 0.903 57.282 56.400 -0.035 0.000 0.830 215 E CB -0.419 29.201 29.700 -0.133 0.000 0.751 215 E HN 0.475 nan 8.360 nan 0.000 0.491 216 A N 1.045 123.837 122.820 -0.046 0.000 1.940 216 A HA -0.169 4.151 4.320 0.000 0.000 0.219 216 A C 2.306 179.883 177.584 -0.013 0.000 1.176 216 A CA 2.375 54.386 52.037 -0.044 0.000 0.631 216 A CB -0.515 18.448 19.000 -0.063 0.000 0.814 216 A HN 0.355 nan 8.150 nan 0.000 0.446 217 T N -3.499 111.068 114.554 0.021 0.000 3.044 217 T HA 0.542 4.892 4.350 0.000 0.000 0.260 217 T C 0.289 175.025 174.700 0.060 0.000 1.019 217 T CA -0.391 61.731 62.100 0.037 0.000 0.921 217 T CB -0.303 68.594 68.868 0.048 0.000 1.053 217 T HN 0.164 nan 8.240 nan 0.000 0.533 218 L N 1.751 123.014 121.223 0.067 0.000 2.375 218 L HA 0.674 5.014 4.340 0.000 0.000 0.271 218 L C 0.948 177.839 176.870 0.034 0.000 1.107 218 L CA -0.911 53.974 54.840 0.075 0.000 0.806 218 L CB 0.872 42.977 42.059 0.077 0.000 1.146 218 L HN 0.311 nan 8.230 nan 0.000 0.447 219 G N 1.078 109.903 108.800 0.042 0.000 2.389 219 G HA2 0.540 4.500 3.960 0.000 0.000 0.328 219 G HA3 0.540 4.500 3.960 0.000 0.000 0.328 219 G C -1.060 173.838 174.900 -0.004 0.000 1.133 219 G CA -0.475 44.636 45.100 0.018 0.000 0.891 219 G HN 0.646 nan 8.290 nan 0.000 0.485 220 Q N 0.782 120.561 119.800 -0.036 0.000 2.282 220 Q HA 0.637 4.977 4.340 0.000 0.000 0.260 220 Q C -0.440 175.492 176.000 -0.113 0.000 0.964 220 Q CA -0.884 54.868 55.803 -0.085 0.000 0.880 220 Q CB 2.180 30.868 28.738 -0.083 0.000 1.286 220 Q HN 0.250 nan 8.270 nan 0.000 0.445 228 G N 2.277 111.048 108.800 -0.049 0.000 2.615 228 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 228 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 228 G C -0.145 174.697 174.900 -0.097 0.000 1.339 228 G CA -0.058 45.014 45.100 -0.047 0.000 0.884 228 G HN 0.524 nan 8.290 nan 0.000 0.559 229 N N -0.512 118.115 118.700 -0.121 0.000 2.143 229 N HA 0.309 5.049 4.740 0.000 0.000 0.229 229 N C -0.702 174.368 175.510 -0.733 0.000 1.294 229 N CA 0.294 53.084 53.050 -0.433 0.000 0.883 229 N CB 0.955 39.027 38.487 -0.693 0.000 1.148 229 N HN 0.282 nan 8.380 nan 0.000 0.511 230 F N 0.337 120.174 119.950 -0.187 0.000 2.603 230 F HA 0.484 5.011 4.527 0.000 0.000 0.317 230 F C 0.203 176.168 175.800 0.275 0.000 1.066 230 F CA -0.536 57.475 58.000 0.018 0.000 0.941 230 F CB 1.974 40.990 39.000 0.026 0.000 1.291 230 F HN -0.380 nan 8.300 nan 0.000 0.472 231 T N 1.252 116.118 114.554 0.521 0.000 2.921 231 T HA 0.114 4.464 4.350 0.000 0.000 0.297 231 T C -1.408 173.398 174.700 0.176 0.000 1.013 231 T CA -0.580 61.753 62.100 0.389 0.000 0.990 231 T CB 1.243 70.257 68.868 0.243 0.000 1.023 231 T HN 0.603 nan 8.240 nan 0.000 0.447 232 W N 4.744 125.866 121.300 -0.297 0.000 2.253 232 W HA 0.493 5.153 4.660 -0.000 0.000 0.322 232 W C -1.601 174.739 176.519 -0.299 0.000 1.342 232 W CA -0.348 56.544 57.345 -0.755 0.000 1.218 232 W CB 0.512 29.320 29.460 -1.086 0.000 1.205 232 W HN 0.330 nan 8.180 nan 0.000 0.551 233 V N 7.710 126.801 119.914 -1.371 0.000 2.409 233 V HA 0.024 4.144 4.120 0.000 0.000 0.290 233 V C 0.809 176.332 176.094 -0.952 0.000 1.017 233 V CA -0.623 61.202 62.300 -0.791 0.000 0.841 233 V CB 1.436 33.003 31.823 -0.427 0.000 1.003 233 V HN 0.585 nan 8.190 nan 0.000 0.426 234 D N 2.201 122.341 120.400 -0.433 0.000 2.092 234 D HA -0.177 4.463 4.640 0.000 0.000 0.193 234 D C 1.437 177.659 176.300 -0.130 0.000 0.994 234 D CA 1.842 55.773 54.000 -0.115 0.000 0.828 234 D CB 0.221 41.072 40.800 0.085 0.000 0.963 234 D HN 0.627 nan 8.370 nan 0.000 0.450 235 D N -0.231 120.115 120.400 -0.091 0.000 2.158 235 D HA -0.132 4.508 4.640 0.000 0.000 0.197 235 D C 2.158 178.413 176.300 -0.075 0.000 0.995 235 D CA 1.908 55.883 54.000 -0.041 0.000 0.846 235 D CB -0.407 40.403 40.800 0.017 0.000 0.941 235 D HN 0.382 nan 8.370 nan 0.000 0.456 236 T N -3.096 111.353 114.554 -0.174 0.000 3.037 236 T HA 0.443 4.793 4.350 0.000 0.000 0.251 236 T C 1.137 175.681 174.700 -0.260 0.000 1.079 236 T CA 0.560 62.542 62.100 -0.198 0.000 1.067 236 T CB 0.240 68.942 68.868 -0.277 0.000 0.948 236 T HN 0.200 nan 8.240 nan 0.000 0.496 237 A N 0.504 123.072 122.820 -0.421 0.000 2.667 237 A HA -0.119 4.201 4.320 0.000 0.000 0.298 237 A C 0.093 177.378 177.584 -0.498 0.000 1.483 237 A CA 1.021 52.809 52.037 -0.414 0.000 0.738 237 A CB -2.429 16.572 19.000 0.002 0.000 1.067 237 A HN 0.762 nan 8.150 nan 0.000 0.451 238 Q N -2.525 116.705 119.800 -0.950 0.000 2.575 238 Q HA 0.505 4.845 4.340 0.000 0.000 0.290 238 Q C -1.169 174.522 176.000 -0.515 0.000 0.963 238 Q CA -0.790 54.760 55.803 -0.422 0.000 0.783 238 Q CB 1.116 29.803 28.738 -0.084 0.000 1.467 238 Q HN 0.566 nan 8.270 nan 0.000 0.402 239 W N 2.142 123.497 121.300 0.091 0.000 2.322 239 W HA 0.394 5.054 4.660 0.000 0.000 0.307 239 W C -0.320 176.324 176.519 0.207 0.000 1.220 239 W CA -0.293 57.176 57.345 0.207 0.000 1.210 239 W CB 0.774 30.417 29.460 0.306 0.000 1.223 239 W HN 0.250 nan 8.180 nan 0.000 0.511 240 M N 3.558 123.285 119.600 0.212 0.000 2.404 240 M HA 0.186 4.666 4.480 0.000 0.000 0.338 240 M C -0.354 176.082 176.300 0.227 0.000 1.150 240 M CA -1.181 54.126 55.300 0.012 0.000 1.016 240 M CB 0.926 33.060 32.600 -0.777 0.000 1.672 240 M HN 0.442 nan 8.290 nan 0.000 0.448 241 W N 4.429 125.772 121.300 0.072 0.000 2.381 241 W HA 0.251 4.911 4.660 -0.000 0.000 0.321 241 W C -0.553 175.904 176.519 -0.104 0.000 1.407 241 W CA 0.473 57.659 57.345 -0.264 0.000 1.274 241 W CB 0.357 29.693 29.460 -0.207 0.000 1.310 241 W HN 0.699 nan 8.180 nan 0.000 0.551 242 T N 1.856 116.458 114.554 0.080 0.000 3.209 242 T HA 0.132 4.482 4.350 0.000 0.000 0.366 242 T C 0.756 175.483 174.700 0.045 0.000 1.293 242 T CA -0.491 61.716 62.100 0.178 0.000 1.417 242 T CB 0.759 69.722 68.868 0.159 0.000 1.013 242 T HN 0.285 nan 8.240 nan 0.000 0.572 243 T N 2.045 116.695 114.554 0.161 0.000 2.720 243 T HA 0.036 4.386 4.350 0.000 0.000 0.268 243 T C 0.519 174.916 174.700 -0.505 0.000 1.037 243 T CA 1.618 63.642 62.100 -0.127 0.000 1.144 243 T CB -0.303 68.507 68.868 -0.097 0.000 0.864 243 T HN 0.540 nan 8.240 nan 0.000 0.444 244 F N -1.106 118.649 119.950 -0.326 0.000 2.812 244 F HA 0.439 4.966 4.527 -0.000 0.000 0.169 244 F C 0.367 175.869 175.800 -0.497 0.000 1.243 244 F CA -1.536 56.178 58.000 -0.476 0.000 0.926 244 F CB -0.755 37.919 39.000 -0.543 0.000 2.170 244 F HN -0.093 nan 8.300 nan 0.000 0.587 245 Y N 2.960 123.189 120.300 -0.117 0.000 2.578 245 Y HA 0.074 4.624 4.550 0.000 0.000 0.339 245 Y C -1.154 174.539 175.900 -0.345 0.000 1.231 245 Y CA -1.589 56.269 58.100 -0.404 0.000 1.461 245 Y CB -0.548 37.325 38.460 -0.979 0.000 1.323 245 Y HN 0.114 nan 8.280 nan 0.000 0.590 246 P HA -0.219 nan 4.420 nan 0.000 0.221 246 P C 0.239 177.671 177.300 0.220 0.000 1.145 246 P CA 1.708 64.868 63.100 0.100 0.000 0.795 246 P CB -0.180 31.616 31.700 0.159 0.000 0.775 247 Y N -1.513 118.937 120.300 0.250 0.000 2.532 247 Y HA 0.493 5.043 4.550 0.000 0.000 0.283 247 Y C 0.449 176.393 175.900 0.075 0.000 1.181 247 Y CA -1.084 57.091 58.100 0.124 0.000 1.256 247 Y CB -1.009 37.483 38.460 0.053 0.000 1.112 247 Y HN -0.102 nan 8.280 nan 0.000 0.521 248 Q N 1.042 120.959 119.800 0.195 0.000 2.363 248 Q HA 0.215 4.555 4.340 0.000 0.000 0.265 248 Q C -1.643 174.618 176.000 0.434 0.000 1.032 248 Q CA -0.645 55.305 55.803 0.245 0.000 0.746 248 Q CB 0.968 29.747 28.738 0.068 0.000 1.237 248 Q HN 0.307 nan 8.270 nan 0.000 0.475 249 W N 2.272 123.712 121.300 0.234 0.000 2.331 249 W HA 0.231 4.891 4.660 -0.000 0.000 0.306 249 W C -0.274 176.530 176.519 0.474 0.000 1.162 249 W CA -1.389 56.104 57.345 0.247 0.000 1.232 249 W CB 0.283 29.697 29.460 -0.077 0.000 1.235 249 W HN 0.482 nan 8.180 nan 0.000 0.479 250 D N 2.578 123.365 120.400 0.645 0.000 2.450 250 D HA 0.073 4.713 4.640 0.000 0.000 0.247 250 D C 0.399 177.029 176.300 0.550 0.000 1.162 250 D CA 0.373 54.694 54.000 0.534 0.000 0.879 250 D CB 0.667 41.615 40.800 0.247 0.000 1.163 250 D HN 0.072 nan 8.370 nan 0.000 0.472 251 L N 2.671 124.118 121.223 0.373 0.000 2.439 251 L HA 0.079 4.419 4.340 0.000 0.000 0.269 251 L C 1.012 177.790 176.870 -0.154 0.000 1.179 251 L CA -0.242 54.592 54.840 -0.010 0.000 0.828 251 L CB 0.388 42.301 42.059 -0.243 0.000 1.106 251 L HN 0.346 nan 8.230 nan 0.000 0.467 252 N N 1.827 120.216 118.700 -0.519 0.000 2.719 252 N HA 0.028 4.768 4.740 0.000 0.000 0.243 252 N C 0.184 175.433 175.510 -0.435 0.000 1.104 252 N CA -0.151 52.480 53.050 -0.699 0.000 0.981 252 N CB 0.245 38.269 38.487 -0.772 0.000 1.290 252 N HN 0.432 nan 8.380 nan 0.000 0.513 253 W N 1.302 122.484 121.300 -0.197 0.000 2.961 253 W HA -0.022 4.638 4.660 0.000 0.000 0.240 253 W C 2.100 178.726 176.519 0.179 0.000 1.305 253 W CA 0.220 57.572 57.345 0.012 0.000 1.465 253 W CB -0.044 29.528 29.460 0.187 0.000 1.135 253 W HN 0.562 nan 8.180 nan 0.000 0.688 254 S N -0.748 114.993 115.700 0.068 0.000 2.562 254 S HA -0.010 4.460 4.470 0.000 0.000 0.221 254 S C 0.713 175.429 174.600 0.194 0.000 0.975 254 S CA -0.046 58.267 58.200 0.188 0.000 0.918 254 S CB -0.308 62.799 63.200 -0.155 0.000 0.772 254 S HN 0.124 nan 8.310 nan 0.000 0.531 255 N N 2.705 121.337 118.700 -0.114 0.000 2.414 255 N HA 0.363 5.103 4.740 0.000 0.000 0.256 255 N C -2.239 172.832 175.510 -0.731 0.000 1.029 255 N CA -2.323 50.491 53.050 -0.393 0.000 0.948 255 N CB 1.614 39.791 38.487 -0.517 0.000 1.102 255 N HN -0.059 nan 8.380 nan 0.000 0.496 256 P HA -0.117 nan 4.420 nan 0.000 0.217 256 P C 0.742 177.186 177.300 -1.428 0.000 1.148 256 P CA 1.258 63.113 63.100 -2.076 0.000 0.828 256 P CB 0.237 30.536 31.700 -2.335 0.000 0.783 257 A N -0.714 121.508 122.820 -0.997 0.000 1.933 257 A HA -0.155 4.165 4.320 0.000 0.000 0.218 257 A C 2.317 179.421 177.584 -0.801 0.000 1.175 257 A CA 1.737 53.399 52.037 -0.625 0.000 0.628 257 A CB -1.658 17.014 19.000 -0.547 0.000 0.814 257 A HN 0.046 nan 8.150 nan 0.000 0.444 258 V N -1.240 117.994 119.914 -1.132 0.000 2.307 258 V HA -0.231 3.889 4.120 0.000 0.000 0.245 258 V C 2.256 177.823 176.094 -0.877 0.000 1.045 258 V CA 2.106 63.661 62.300 -1.240 0.000 1.024 258 V CB -0.967 30.081 31.823 -1.293 0.000 0.651 258 V HN 0.640 nan 8.190 nan 0.000 0.449 259 F N 1.890 121.421 119.950 -0.697 0.000 2.069 259 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 259 F C 2.213 177.901 175.800 -0.188 0.000 1.113 259 F CA 1.929 59.775 58.000 -0.257 0.000 1.214 259 F CB -0.954 38.008 39.000 -0.063 0.000 0.978 259 F HN 0.141 nan 8.300 nan 0.000 0.474 260 G N -0.181 108.514 108.800 -0.175 0.000 2.491 260 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 260 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 260 G C 1.318 176.287 174.900 0.115 0.000 1.180 260 G CA 1.216 46.190 45.100 -0.210 0.000 0.774 260 G HN 0.366 nan 8.290 nan 0.000 0.562 261 D N -0.038 120.393 120.400 0.051 0.000 2.178 261 D HA -0.034 4.606 4.640 0.000 0.000 0.202 261 D C 2.583 179.008 176.300 0.208 0.000 0.974 261 D CA 0.566 54.691 54.000 0.208 0.000 0.841 261 D CB -0.120 40.827 40.800 0.245 0.000 0.953 261 D HN 0.147 nan 8.370 nan 0.000 0.478 262 M N 0.243 119.833 119.600 -0.017 0.000 2.200 262 M HA 0.046 4.526 4.480 0.000 0.000 0.265 262 M C 2.231 178.618 176.300 0.145 0.000 1.066 262 M CA 0.576 55.932 55.300 0.094 0.000 1.127 262 M CB -0.957 31.582 32.600 -0.101 0.000 1.379 262 M HN -0.038 nan 8.290 nan 0.000 0.420 263 A N 0.479 123.267 122.820 -0.053 0.000 1.902 263 A HA -0.110 4.210 4.320 0.000 0.000 0.217 263 A C 2.282 179.940 177.584 0.123 0.000 1.181 263 A CA 1.216 53.250 52.037 -0.004 0.000 0.623 263 A CB -0.868 18.139 19.000 0.012 0.000 0.818 263 A HN 0.461 nan 8.150 nan 0.000 0.443 264 L N -0.870 120.494 121.223 0.235 0.000 2.046 264 L HA -0.186 4.154 4.340 0.000 0.000 0.208 264 L C 3.097 180.037 176.870 0.116 0.000 1.077 264 L CA 1.042 55.997 54.840 0.191 0.000 0.747 264 L CB -0.621 41.588 42.059 0.251 0.000 0.896 264 L HN 0.442 nan 8.230 nan 0.000 0.432 265 A N -0.164 122.744 122.820 0.147 0.000 1.902 265 A HA -0.273 4.047 4.320 0.000 0.000 0.217 265 A C 2.356 179.873 177.584 -0.112 0.000 1.181 265 A CA 1.916 54.026 52.037 0.122 0.000 0.623 265 A CB -0.530 18.634 19.000 0.273 0.000 0.818 265 A HN 0.436 nan 8.150 nan 0.000 0.443 266 M N -0.458 118.909 119.600 -0.390 0.000 2.117 266 M HA -0.116 4.364 4.480 0.000 0.000 0.262 266 M C 1.838 177.920 176.300 -0.363 0.000 1.065 266 M CA 1.722 56.515 55.300 -0.846 0.000 1.114 266 M CB -0.280 31.693 32.600 -1.046 0.000 1.361 266 M HN 0.414 nan 8.290 nan 0.000 0.408 267 L N -0.485 120.649 121.223 -0.148 0.000 2.141 267 L HA -0.172 4.168 4.340 0.000 0.000 0.209 267 L C 2.596 179.493 176.870 0.044 0.000 1.094 267 L CA 1.051 55.885 54.840 -0.010 0.000 0.763 267 L CB -0.680 41.395 42.059 0.025 0.000 0.908 267 L HN 0.328 nan 8.230 nan 0.000 0.437 268 R N 0.068 120.593 120.500 0.042 0.000 2.092 268 R HA -0.113 4.227 4.340 0.000 0.000 0.231 268 R C 2.295 178.655 176.300 0.100 0.000 1.119 268 R CA 1.105 57.248 56.100 0.071 0.000 0.970 268 R CB -0.375 29.974 30.300 0.083 0.000 0.864 268 R HN 0.335 nan 8.270 nan 0.000 0.440 269 L N 0.204 121.500 121.223 0.122 0.000 2.046 269 L HA -0.145 4.195 4.340 0.000 0.000 0.208 269 L C 2.711 179.716 176.870 0.225 0.000 1.077 269 L CA 1.214 56.175 54.840 0.202 0.000 0.747 269 L CB -0.578 41.664 42.059 0.305 0.000 0.896 269 L HN 0.221 nan 8.230 nan 0.000 0.432 270 A N 0.187 123.188 122.820 0.301 0.000 1.908 270 A HA -0.225 4.095 4.320 0.000 0.000 0.218 270 A C 1.965 179.621 177.584 0.120 0.000 1.181 270 A CA 2.000 54.183 52.037 0.243 0.000 0.627 270 A CB -0.585 18.575 19.000 0.265 0.000 0.818 270 A HN 0.436 nan 8.150 nan 0.000 0.445 271 N N -0.169 118.591 118.700 0.100 0.000 2.453 271 N HA -0.009 4.731 4.740 0.000 0.000 0.183 271 N C 1.148 176.691 175.510 0.056 0.000 1.041 271 N CA 0.723 53.813 53.050 0.066 0.000 0.900 271 N CB -0.340 38.180 38.487 0.055 0.000 0.961 271 N HN 0.521 nan 8.380 nan 0.000 0.443 272 L N -1.015 120.251 121.223 0.072 0.000 2.591 272 L HA 0.205 4.545 4.340 0.000 0.000 0.228 272 L C 1.209 178.104 176.870 0.042 0.000 1.133 272 L CA 0.227 55.105 54.840 0.062 0.000 0.880 272 L CB -0.083 42.031 42.059 0.092 0.000 1.033 272 L HN 0.219 nan 8.230 nan 0.000 0.450 273 G N -0.610 108.209 108.800 0.031 0.000 2.201 273 G HA2 -0.229 3.731 3.960 0.000 0.000 0.212 273 G HA3 -0.229 3.731 3.960 0.000 0.000 0.212 273 G C 0.249 175.130 174.900 -0.031 0.000 0.994 273 G CA -0.207 44.892 45.100 -0.002 0.000 0.644 273 G HN 0.030 nan 8.290 nan 0.000 0.508 274 V N 1.321 121.217 119.914 -0.030 0.000 2.485 274 V HA 0.245 4.365 4.120 0.000 0.000 0.287 274 V C 1.287 177.245 176.094 -0.226 0.000 1.022 274 V CA 1.228 63.429 62.300 -0.164 0.000 1.067 274 V CB 1.250 32.912 31.823 -0.268 0.000 0.967 274 V HN 0.493 nan 8.190 nan 0.000 0.479 275 E N 3.010 123.074 120.200 -0.228 0.000 2.473 275 E HA 0.414 4.764 4.350 0.000 0.000 0.204 275 E C 0.382 176.930 176.600 -0.087 0.000 0.994 275 E CA 0.321 56.654 56.400 -0.112 0.000 0.945 275 E CB 1.046 30.721 29.700 -0.042 0.000 0.990 275 E HN 0.782 nan 8.360 nan 0.000 0.493 276 A N 0.798 123.422 122.820 -0.328 0.000 2.455 276 A HA 0.628 4.948 4.320 0.000 0.000 0.300 276 A C -1.583 175.719 177.584 -0.470 0.000 1.040 276 A CA -0.575 51.325 52.037 -0.228 0.000 0.697 276 A CB 0.792 19.702 19.000 -0.149 0.000 1.265 276 A HN 0.059 nan 8.150 nan 0.000 0.407 277 F N 1.237 121.228 119.950 0.069 0.000 2.427 277 F HA 0.515 5.042 4.527 -0.000 0.000 0.348 277 F C 0.720 176.585 175.800 0.110 0.000 1.125 277 F CA -0.299 57.756 58.000 0.093 0.000 0.989 277 F CB 1.906 40.963 39.000 0.095 0.000 1.165 277 F HN 0.660 nan 8.300 nan 0.000 0.442 278 R N 4.915 125.552 120.500 0.230 0.000 2.248 278 R HA 0.388 4.729 4.340 0.000 0.000 0.337 278 R C -1.041 175.411 176.300 0.253 0.000 1.085 278 R CA -0.330 55.879 56.100 0.182 0.000 0.934 278 R CB 0.201 30.527 30.300 0.043 0.000 1.034 278 R HN 0.737 nan 8.270 nan 0.000 0.465 279 L N 5.067 126.421 121.223 0.218 0.000 2.385 279 L HA 0.130 4.470 4.340 0.000 0.000 0.285 279 L C 0.520 177.445 176.870 0.093 0.000 1.125 279 L CA -0.157 54.787 54.840 0.172 0.000 0.890 279 L CB 0.452 42.589 42.059 0.130 0.000 1.251 279 L HN 0.596 nan 8.230 nan 0.000 0.445 280 D N 2.403 122.862 120.400 0.098 0.000 2.424 280 D HA -0.036 4.604 4.640 0.000 0.000 0.244 280 D C 0.490 176.788 176.300 -0.003 0.000 1.134 280 D CA 0.102 54.137 54.000 0.059 0.000 0.881 280 D CB 0.947 41.837 40.800 0.150 0.000 1.191 280 D HN 0.605 nan 8.370 nan 0.000 0.445 281 S N 2.165 117.874 115.700 0.015 0.000 3.462 281 S HA -0.225 4.245 4.470 0.000 0.000 0.370 281 S C 1.266 176.008 174.600 0.237 0.000 1.028 281 S CA 0.905 59.205 58.200 0.167 0.000 1.119 281 S CB -1.833 61.373 63.200 0.009 0.000 0.906 281 S HN 0.713 nan 8.310 nan 0.000 0.471 282 T N -0.133 114.474 114.554 0.088 0.000 3.098 282 T HA 0.111 4.461 4.350 0.000 0.000 0.266 282 T C 1.742 176.480 174.700 0.063 0.000 1.145 282 T CA 1.250 63.366 62.100 0.027 0.000 1.092 282 T CB -0.324 68.526 68.868 -0.029 0.000 0.908 282 T HN 0.771 nan 8.240 nan 0.000 0.526 283 A N -0.588 122.300 122.820 0.112 0.000 2.119 283 A HA 0.161 4.481 4.320 0.000 0.000 0.216 283 A C 1.268 178.790 177.584 -0.103 0.000 1.152 283 A CA 0.544 52.587 52.037 0.010 0.000 0.708 283 A CB -0.413 18.534 19.000 -0.088 0.000 0.805 283 A HN 0.662 nan 8.150 nan 0.000 0.460 284 Y N -0.166 120.175 120.300 0.069 0.000 2.457 284 Y HA 0.263 4.813 4.550 0.000 0.000 0.263 284 Y C 1.613 177.504 175.900 -0.014 0.000 1.164 284 Y CA -0.383 57.753 58.100 0.060 0.000 1.274 284 Y CB -0.387 38.174 38.460 0.167 0.000 1.097 284 Y HN 0.163 nan 8.280 nan 0.000 0.523 285 L N -1.182 120.084 121.223 0.072 0.000 2.081 285 L HA -0.222 4.118 4.340 0.000 0.000 0.212 285 L C 1.098 177.999 176.870 0.052 0.000 1.080 285 L CA 1.215 56.026 54.840 -0.049 0.000 0.754 285 L CB -0.163 41.692 42.059 -0.340 0.000 0.893 285 L HN 0.394 nan 8.230 nan 0.000 0.433 286 W N 1.517 122.736 121.300 -0.134 0.000 2.478 286 W HA 0.323 4.983 4.660 0.000 0.000 0.318 286 W C -0.603 175.839 176.519 -0.128 0.000 1.062 286 W CA -0.816 56.469 57.345 -0.100 0.000 1.210 286 W CB 1.482 30.881 29.460 -0.101 0.000 1.325 286 W HN -0.222 nan 8.180 nan 0.000 0.496 287 K N 4.590 124.530 120.400 -0.767 0.000 2.235 287 K HA 0.369 4.689 4.320 0.000 0.000 0.266 287 K C -0.616 175.800 176.600 -0.307 0.000 0.980 287 K CA -0.443 55.496 56.287 -0.581 0.000 0.849 287 K CB 1.770 33.666 32.500 -1.006 0.000 1.098 287 K HN 0.392 nan 8.250 nan 0.000 0.445 288 R N 3.945 124.507 120.500 0.103 0.000 2.510 288 R HA 0.358 4.698 4.340 0.000 0.000 0.287 288 R C -0.665 175.826 176.300 0.318 0.000 1.084 288 R CA -0.599 55.646 56.100 0.241 0.000 0.934 288 R CB 0.956 31.416 30.300 0.267 0.000 1.201 288 R HN 0.785 nan 8.270 nan 0.000 0.431 289 I N 3.351 124.060 120.570 0.231 0.000 3.094 289 I HA 0.037 4.207 4.170 0.000 0.000 0.291 289 I C 1.120 177.259 176.117 0.037 0.000 1.250 289 I CA 2.357 63.641 61.300 -0.026 0.000 1.401 289 I CB 0.532 38.334 38.000 -0.329 0.000 1.343 289 I HN 1.036 nan 8.210 nan 0.000 0.599 290 G N 3.506 112.312 108.800 0.011 0.000 2.189 290 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 290 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 290 G C 0.229 175.162 174.900 0.055 0.000 0.975 290 G CA 0.668 45.780 45.100 0.019 0.000 0.644 290 G HN 1.136 nan 8.290 nan 0.000 0.537 291 T N -2.948 111.669 114.554 0.105 0.000 2.888 291 T HA 0.574 4.924 4.350 0.000 0.000 0.288 291 T C 0.648 175.421 174.700 0.121 0.000 1.063 291 T CA 0.476 62.637 62.100 0.101 0.000 1.010 291 T CB 1.940 70.875 68.868 0.112 0.000 1.214 291 T HN 0.245 nan 8.240 nan 0.000 0.533 292 D N -1.008 119.445 120.400 0.088 0.000 2.336 292 D HA 0.024 4.664 4.640 0.000 0.000 0.229 292 D C 0.737 177.096 176.300 0.098 0.000 1.061 292 D CA -0.258 53.793 54.000 0.085 0.000 0.875 292 D CB -1.497 39.327 40.800 0.040 0.000 0.904 292 D HN 0.706 nan 8.370 nan 0.000 0.525 293 C N 0.323 119.692 119.300 0.115 0.000 4.165 293 C HA -0.204 4.256 4.460 0.000 0.000 0.299 293 C C 0.310 175.311 174.990 0.018 0.000 1.445 293 C CA 0.262 59.335 59.018 0.092 0.000 2.029 293 C CB -2.659 25.154 27.740 0.121 0.000 1.288 293 C HN 0.520 nan 8.230 nan 0.000 0.752 294 M N 0.195 119.776 119.600 -0.031 0.000 2.530 294 M HA 0.335 4.815 4.480 0.000 0.000 0.307 294 M C 0.553 176.805 176.300 -0.080 0.000 1.161 294 M CA -0.334 54.875 55.300 -0.152 0.000 0.903 294 M CB 1.421 33.880 32.600 -0.235 0.000 1.711 294 M HN 0.291 nan 8.290 nan 0.000 0.451 295 N N 1.268 119.912 118.700 -0.093 0.000 2.701 295 N HA -0.164 4.576 4.740 0.000 0.000 0.250 295 N C -0.646 174.849 175.510 -0.025 0.000 1.046 295 N CA 0.769 53.789 53.050 -0.051 0.000 0.733 295 N CB -0.769 37.734 38.487 0.027 0.000 0.973 295 N HN 0.618 nan 8.380 nan 0.000 0.541 296 Q N 0.099 119.883 119.800 -0.027 0.000 2.394 296 Q HA 0.131 4.471 4.340 0.000 0.000 0.248 296 Q C 1.455 177.436 176.000 -0.032 0.000 0.992 296 Q CA -0.016 55.795 55.803 0.013 0.000 0.888 296 Q CB 1.052 29.864 28.738 0.123 0.000 1.257 296 Q HN 0.238 nan 8.270 nan 0.000 0.462 297 S N 1.968 117.633 115.700 -0.058 0.000 2.368 297 S HA -0.250 4.220 4.470 0.000 0.000 0.226 297 S C 1.257 175.721 174.600 -0.227 0.000 1.044 297 S CA 2.120 60.258 58.200 -0.103 0.000 1.062 297 S CB 0.140 63.254 63.200 -0.145 0.000 0.931 297 S HN 0.598 nan 8.310 nan 0.000 0.440 298 E N 1.071 120.991 120.200 -0.466 0.000 2.204 298 E HA 0.025 4.375 4.350 0.000 0.000 0.195 298 E C 2.239 178.531 176.600 -0.514 0.000 0.990 298 E CA 1.074 56.998 56.400 -0.793 0.000 0.821 298 E CB -0.486 28.034 29.700 -1.967 0.000 0.750 298 E HN 0.621 nan 8.360 nan 0.000 0.477 299 A N 0.568 123.210 122.820 -0.295 0.000 1.930 299 A HA -0.199 4.121 4.320 0.000 0.000 0.217 299 A C 1.755 179.140 177.584 -0.331 0.000 1.175 299 A CA 1.348 53.237 52.037 -0.247 0.000 0.627 299 A CB -0.521 18.341 19.000 -0.229 0.000 0.815 299 A HN 0.278 nan 8.150 nan 0.000 0.443 300 H N -0.515 118.427 119.070 -0.214 0.000 2.395 300 H HA -0.054 4.502 4.556 0.000 0.000 0.299 300 H C 2.233 177.454 175.328 -0.179 0.000 1.070 300 H CA 1.811 57.735 56.048 -0.207 0.000 1.356 300 H CB -0.475 29.134 29.762 -0.255 0.000 1.401 300 H HN 0.449 nan 8.280 nan 0.000 0.524 301 T N 1.670 116.144 114.554 -0.134 0.000 2.788 301 T HA -0.087 4.263 4.350 0.000 0.000 0.268 301 T C 2.442 177.049 174.700 -0.155 0.000 1.044 301 T CA 0.610 62.605 62.100 -0.174 0.000 1.139 301 T CB -0.305 68.387 68.868 -0.294 0.000 0.867 301 T HN 0.170 nan 8.240 nan 0.000 0.454 302 L N 0.440 121.554 121.223 -0.183 0.000 2.012 302 L HA -0.088 4.252 4.340 0.000 0.000 0.210 302 L C 2.473 179.357 176.870 0.023 0.000 1.073 302 L CA 1.292 56.084 54.840 -0.079 0.000 0.748 302 L CB -0.576 41.376 42.059 -0.179 0.000 0.891 302 L HN 0.279 nan 8.230 nan 0.000 0.431 303 L N -1.305 119.898 121.223 -0.035 0.000 2.093 303 L HA -0.178 4.162 4.340 0.000 0.000 0.208 303 L C 2.512 179.427 176.870 0.075 0.000 1.085 303 L CA 0.660 55.519 54.840 0.032 0.000 0.755 303 L CB -0.548 41.530 42.059 0.032 0.000 0.904 303 L HN 0.081 nan 8.230 nan 0.000 0.435 304 V N 0.273 120.216 119.914 0.048 0.000 2.407 304 V HA -0.287 3.833 4.120 0.000 0.000 0.248 304 V C 2.760 178.901 176.094 0.079 0.000 1.055 304 V CA 1.830 64.163 62.300 0.055 0.000 1.049 304 V CB -0.706 31.127 31.823 0.017 0.000 0.662 304 V HN 0.478 nan 8.190 nan 0.000 0.455 305 A N -0.327 122.548 122.820 0.092 0.000 1.873 305 A HA -0.126 4.194 4.320 0.000 0.000 0.215 305 A C 2.184 179.982 177.584 0.356 0.000 1.186 305 A CA 1.650 53.788 52.037 0.168 0.000 0.616 305 A CB -0.498 18.506 19.000 0.007 0.000 0.823 305 A HN 0.492 nan 8.150 nan 0.000 0.442 306 L N -1.009 120.443 121.223 0.382 0.000 2.083 306 L HA -0.171 4.169 4.340 0.000 0.000 0.209 306 L C 2.733 179.721 176.870 0.195 0.000 1.083 306 L CA 1.582 56.610 54.840 0.315 0.000 0.752 306 L CB -0.428 41.761 42.059 0.216 0.000 0.899 306 L HN 0.385 nan 8.230 nan 0.000 0.433 307 R N 1.006 121.596 120.500 0.149 0.000 2.081 307 R HA -0.130 4.210 4.340 0.000 0.000 0.235 307 R C 2.174 178.524 176.300 0.083 0.000 1.131 307 R CA 1.789 57.954 56.100 0.109 0.000 0.960 307 R CB -0.747 29.594 30.300 0.068 0.000 0.856 307 R HN 0.286 nan 8.270 nan 0.000 0.436 308 A N -0.142 122.727 122.820 0.082 0.000 1.933 308 A HA -0.075 4.245 4.320 0.000 0.000 0.218 308 A C 2.350 179.968 177.584 0.057 0.000 1.175 308 A CA 1.672 53.725 52.037 0.027 0.000 0.628 308 A CB -0.664 18.366 19.000 0.049 0.000 0.814 308 A HN 0.194 nan 8.150 nan 0.000 0.444 309 V N 0.602 120.618 119.914 0.170 0.000 2.295 309 V HA -0.261 3.859 4.120 0.000 0.000 0.246 309 V C 3.071 179.237 176.094 0.120 0.000 1.049 309 V CA 2.557 64.976 62.300 0.199 0.000 1.024 309 V CB -1.397 30.619 31.823 0.320 0.000 0.648 309 V HN 0.858 nan 8.190 nan 0.000 0.447 310 T N -2.433 112.186 114.554 0.109 0.000 2.821 310 T HA -0.216 4.134 4.350 0.000 0.000 0.267 310 T C 1.587 176.330 174.700 0.071 0.000 1.046 310 T CA 1.517 63.682 62.100 0.108 0.000 1.139 310 T CB -0.491 68.470 68.868 0.155 0.000 0.871 310 T HN 0.407 nan 8.240 nan 0.000 0.454 311 D N 1.271 121.663 120.400 -0.014 0.000 2.182 311 D HA -0.006 4.634 4.640 0.000 0.000 0.201 311 D C 2.021 178.261 176.300 -0.100 0.000 0.986 311 D CA 0.951 54.846 54.000 -0.176 0.000 0.847 311 D CB -0.202 40.199 40.800 -0.665 0.000 0.942 311 D HN 0.491 nan 8.370 nan 0.000 0.467 312 I N -0.029 120.527 120.570 -0.024 0.000 2.206 312 I HA -0.166 4.004 4.170 0.000 0.000 0.239 312 I C 2.346 178.549 176.117 0.144 0.000 1.078 312 I CA 0.565 61.912 61.300 0.078 0.000 1.367 312 I CB -0.029 37.988 38.000 0.027 0.000 1.078 312 I HN -0.146 nan 8.210 nan 0.000 0.413 313 V N 0.332 120.333 119.914 0.145 0.000 2.599 313 V HA 0.127 4.247 4.120 0.000 0.000 0.245 313 V C 0.999 177.166 176.094 0.121 0.000 1.046 313 V CA 1.171 63.569 62.300 0.164 0.000 1.065 313 V CB -0.195 31.725 31.823 0.162 0.000 0.703 313 V HN 0.470 nan 8.190 nan 0.000 0.464 314 A N 0.157 123.043 122.820 0.110 0.000 3.453 314 A HA 0.474 4.794 4.320 0.000 0.000 0.262 314 A C -1.585 176.064 177.584 0.108 0.000 1.026 314 A CA -0.543 51.556 52.037 0.102 0.000 0.938 314 A CB 0.213 19.285 19.000 0.118 0.000 1.246 314 A HN 0.269 nan 8.150 nan 0.000 0.546 315 P HA -0.139 nan 4.420 nan 0.000 0.229 315 P C 1.223 178.587 177.300 0.107 0.000 1.150 315 P CA 1.489 64.655 63.100 0.111 0.000 0.765 315 P CB 0.194 31.953 31.700 0.099 0.000 0.783 316 A N -0.305 122.536 122.820 0.036 0.000 2.119 316 A HA 0.095 4.415 4.320 0.000 0.000 0.216 316 A C 1.244 178.847 177.584 0.030 0.000 1.152 316 A CA 0.441 52.426 52.037 -0.087 0.000 0.708 316 A CB -0.631 18.262 19.000 -0.178 0.000 0.805 316 A HN 0.094 nan 8.150 nan 0.000 0.460 317 V N 0.595 120.597 119.914 0.145 0.000 2.785 317 V HA 0.414 4.534 4.120 0.000 0.000 0.300 317 V C 0.265 176.500 176.094 0.236 0.000 1.062 317 V CA -0.203 62.234 62.300 0.229 0.000 1.029 317 V CB 1.361 33.359 31.823 0.292 0.000 1.024 317 V HN 0.401 nan 8.190 nan 0.000 0.477 318 V N 1.913 121.945 119.914 0.196 0.000 2.864 318 V HA 0.709 4.829 4.120 0.000 0.000 0.314 318 V C -0.564 175.694 176.094 0.273 0.000 1.073 318 V CA -0.954 61.327 62.300 -0.033 0.000 0.956 318 V CB 2.041 33.548 31.823 -0.526 0.000 1.023 318 V HN 0.774 nan 8.190 nan 0.000 0.435 319 M N 3.243 123.119 119.600 0.460 0.000 2.294 319 M HA 0.551 5.031 4.480 0.000 0.000 0.335 319 M C -0.569 175.843 176.300 0.186 0.000 1.079 319 M CA -0.302 55.191 55.300 0.322 0.000 0.982 319 M CB 1.885 34.646 32.600 0.267 0.000 1.651 319 M HN 0.829 nan 8.290 nan 0.000 0.437 320 K N 2.380 122.872 120.400 0.155 0.000 2.413 320 K HA 0.707 5.027 4.320 0.000 0.000 0.257 320 K C -1.133 175.519 176.600 0.087 0.000 0.946 320 K CA -0.488 55.843 56.287 0.073 0.000 0.823 320 K CB 1.603 34.123 32.500 0.034 0.000 1.109 320 K HN 0.799 nan 8.250 nan 0.000 0.427 321 A N 3.923 126.752 122.820 0.015 0.000 2.409 321 A HA 0.111 4.431 4.320 0.000 0.000 0.267 321 A C -0.386 177.211 177.584 0.022 0.000 1.127 321 A CA -0.290 51.699 52.037 -0.080 0.000 0.795 321 A CB 0.569 19.358 19.000 -0.352 0.000 1.061 321 A HN 0.743 nan 8.150 nan 0.000 0.502 322 Q N 2.185 121.984 119.800 -0.001 0.000 2.509 322 Q HA 0.507 4.847 4.340 0.000 0.000 0.230 322 Q C -0.964 174.957 176.000 -0.131 0.000 1.089 322 Q CA -0.200 55.592 55.803 -0.018 0.000 0.901 322 Q CB 0.813 29.529 28.738 -0.036 0.000 1.208 322 Q HN 0.790 nan 8.270 nan 0.000 0.529 323 A N 6.299 129.016 122.820 -0.172 0.000 2.702 323 A HA 0.326 4.646 4.320 0.000 0.000 0.305 323 A C -0.479 177.061 177.584 -0.073 0.000 1.213 323 A CA -0.590 51.329 52.037 -0.196 0.000 0.745 323 A CB 0.392 19.064 19.000 -0.547 0.000 1.161 323 A HN 0.624 nan 8.150 nan 0.000 0.445 324 I N 3.770 124.323 120.570 -0.029 0.000 2.352 324 I HA 0.193 4.363 4.170 0.000 0.000 0.303 324 I C 0.359 176.496 176.117 0.033 0.000 1.194 324 I CA 0.403 61.705 61.300 0.003 0.000 1.518 324 I CB -1.246 36.742 38.000 -0.019 0.000 1.489 324 I HN 0.395 nan 8.210 nan 0.000 0.702 325 V N 4.204 124.143 119.914 0.042 0.000 3.102 325 V HA 0.749 4.869 4.120 0.000 0.000 0.312 325 V C -2.638 173.492 176.094 0.060 0.000 1.135 325 V CA -2.124 60.208 62.300 0.053 0.000 1.022 325 V CB 2.071 33.935 31.823 0.068 0.000 1.056 325 V HN 0.299 nan 8.190 nan 0.000 0.436 326 P HA 0.208 nan 4.420 nan 0.000 0.272 326 P C 1.060 178.387 177.300 0.044 0.000 1.223 326 P CA -0.168 62.962 63.100 0.051 0.000 0.784 326 P CB 0.827 32.551 31.700 0.039 0.000 0.923 327 M N 1.325 120.947 119.600 0.036 0.000 2.124 327 M HA -0.220 4.260 4.480 0.000 0.000 0.253 327 M C 2.076 178.405 176.300 0.048 0.000 1.077 327 M CA 3.220 58.536 55.300 0.028 0.000 1.085 327 M CB -1.546 31.073 32.600 0.031 0.000 1.320 327 M HN 0.539 nan 8.290 nan 0.000 0.404 328 T N -1.912 112.646 114.554 0.006 0.000 2.946 328 T HA -0.206 4.144 4.350 0.000 0.000 0.271 328 T C 1.302 176.011 174.700 0.015 0.000 1.104 328 T CA 1.413 63.508 62.100 -0.008 0.000 1.114 328 T CB -0.359 68.462 68.868 -0.078 0.000 0.867 328 T HN 0.599 nan 8.240 nan 0.000 0.513 329 Q N -0.369 119.460 119.800 0.048 0.000 2.219 329 Q HA 0.445 4.785 4.340 0.000 0.000 0.209 329 Q C 1.746 177.844 176.000 0.164 0.000 0.854 329 Q CA -0.207 55.641 55.803 0.075 0.000 0.960 329 Q CB 0.275 29.067 28.738 0.090 0.000 1.116 329 Q HN 0.452 nan 8.270 nan 0.000 0.500 330 L N 0.383 121.706 121.223 0.167 0.000 2.168 330 L HA 0.037 4.377 4.340 0.000 0.000 0.203 330 L C -0.800 176.126 176.870 0.094 0.000 1.078 330 L CA 0.436 55.414 54.840 0.230 0.000 0.780 330 L CB -0.908 41.293 42.059 0.236 0.000 0.939 330 L HN 0.079 nan 8.230 nan 0.000 0.451 331 P HA -0.146 nan 4.420 nan 0.000 0.217 331 P C -1.437 175.834 177.300 -0.048 0.000 1.151 331 P CA 1.549 64.712 63.100 0.104 0.000 0.849 331 P CB -0.923 30.851 31.700 0.124 0.000 0.787 332 P HA -0.149 nan 4.420 nan 0.000 0.221 332 P C 0.918 177.910 177.300 -0.514 0.000 1.145 332 P CA 1.185 63.996 63.100 -0.482 0.000 0.795 332 P CB -0.583 30.671 31.700 -0.743 0.000 0.775 333 Y N -2.671 117.534 120.300 -0.159 0.000 2.509 333 Y HA -0.028 4.522 4.550 -0.000 0.000 0.293 333 Y C 1.526 177.301 175.900 -0.209 0.000 1.133 333 Y CA 0.836 58.863 58.100 -0.122 0.000 1.283 333 Y CB -0.858 37.455 38.460 -0.246 0.000 1.001 333 Y HN -0.062 nan 8.280 nan 0.000 0.555 334 F N -0.292 119.676 119.950 0.030 0.000 2.765 334 F HA 0.408 4.935 4.527 0.000 0.000 0.302 334 F C 1.252 177.008 175.800 -0.073 0.000 1.111 334 F CA 0.137 58.109 58.000 -0.047 0.000 1.359 334 F CB -0.238 38.697 39.000 -0.107 0.000 1.097 334 F HN -0.076 nan 8.300 nan 0.000 0.577 335 G N 0.306 109.131 108.800 0.041 0.000 3.067 335 G HA2 -0.018 3.942 3.960 0.000 0.000 0.686 335 G HA3 -0.018 3.942 3.960 0.000 0.000 0.686 335 G C -0.641 174.215 174.900 -0.073 0.000 1.119 335 G CA -0.949 44.139 45.100 -0.021 0.000 0.790 335 G HN 0.088 nan 8.290 nan 0.000 0.605 336 S N 1.031 116.648 115.700 -0.137 0.000 2.549 336 S HA 0.868 5.338 4.470 0.000 0.000 0.297 336 S C 1.407 175.957 174.600 -0.084 0.000 1.115 336 S CA 0.933 59.051 58.200 -0.136 0.000 1.059 336 S CB 1.380 64.450 63.200 -0.217 0.000 1.046 336 S HN 2.556 nan 8.310 nan 0.000 0.506 337 G N 1.802 110.563 108.800 -0.066 0.000 2.660 337 G HA2 -0.334 3.627 3.960 0.000 0.000 0.321 337 G HA3 -0.334 3.627 3.960 0.000 0.000 0.321 337 G C 1.020 175.905 174.900 -0.024 0.000 1.246 337 G CA 0.538 45.610 45.100 -0.046 0.000 1.000 337 G HN 0.785 nan 8.290 nan 0.000 0.550 338 V N 1.432 121.336 119.914 -0.016 0.000 2.469 338 V HA -0.100 4.020 4.120 0.000 0.000 0.251 338 V C 2.039 178.174 176.094 0.068 0.000 1.064 338 V CA 2.762 65.070 62.300 0.013 0.000 1.066 338 V CB -0.417 31.404 31.823 -0.003 0.000 0.667 338 V HN 0.628 nan 8.190 nan 0.000 0.461 339 D N -0.487 119.945 120.400 0.052 0.000 2.342 339 D HA 0.068 4.708 4.640 0.000 0.000 0.221 339 D C 0.862 177.217 176.300 0.092 0.000 1.101 339 D CA -0.007 54.070 54.000 0.129 0.000 0.837 339 D CB 0.128 40.967 40.800 0.065 0.000 0.938 339 D HN 0.592 nan 8.370 nan 0.000 0.508 340 E N 0.137 120.345 120.200 0.014 0.000 2.452 340 E HA 0.167 4.517 4.350 0.000 0.000 0.261 340 E C 1.106 177.624 176.600 -0.136 0.000 0.987 340 E CA 0.656 57.035 56.400 -0.036 0.000 0.926 340 E CB 0.337 30.008 29.700 -0.048 0.000 0.934 340 E HN 0.260 nan 8.360 nan 0.000 0.452 341 G N 4.431 113.155 108.800 -0.126 0.000 2.199 341 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 341 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 341 G C 0.377 175.106 174.900 -0.285 0.000 0.982 341 G CA 0.357 45.323 45.100 -0.223 0.000 0.632 341 G HN 0.730 nan 8.290 nan 0.000 0.529 342 H N 0.065 119.145 119.070 0.016 0.000 2.467 342 H HA 0.458 5.014 4.556 0.000 0.000 0.275 342 H C 0.955 176.274 175.328 -0.014 0.000 1.131 342 H CA 0.627 56.679 56.048 0.006 0.000 0.989 342 H CB 0.674 30.452 29.762 0.027 0.000 1.696 342 H HN 0.711 nan 8.280 nan 0.000 0.574 343 E N -0.555 119.676 120.200 0.052 0.000 4.498 343 E HA 0.259 4.609 4.350 0.000 0.000 0.200 343 E C -0.359 176.224 176.600 -0.028 0.000 1.108 343 E CA -0.426 56.002 56.400 0.047 0.000 0.970 343 E CB 1.001 30.751 29.700 0.082 0.000 2.109 343 E HN 0.102 nan 8.360 nan 0.000 0.453 344 C N 1.764 121.091 119.300 0.045 0.000 2.539 344 C HA 0.274 4.734 4.460 0.000 0.000 0.392 344 C C 1.441 176.465 174.990 0.058 0.000 1.269 344 C CA -0.366 58.675 59.018 0.039 0.000 2.250 344 C CB -0.196 27.592 27.740 0.081 0.000 2.584 344 C HN 0.629 nan 8.230 nan 0.000 0.589 345 H N 0.709 119.815 119.070 0.061 0.000 2.465 345 H HA 0.246 4.802 4.556 -0.000 0.000 0.289 345 H C 0.125 175.449 175.328 -0.007 0.000 1.022 345 H CA 0.989 57.004 56.048 -0.055 0.000 1.340 345 H CB 0.286 29.711 29.762 -0.562 0.000 1.437 345 H HN 0.452 nan 8.280 nan 0.000 0.539 346 L N -0.263 121.027 121.223 0.111 0.000 2.350 346 L HA 0.682 5.022 4.340 0.000 0.000 0.260 346 L C -0.708 176.204 176.870 0.070 0.000 1.015 346 L CA -1.007 53.892 54.840 0.099 0.000 0.821 346 L CB 2.562 44.545 42.059 -0.127 0.000 1.370 346 L HN -0.012 nan 8.230 nan 0.000 0.416 347 A N 0.590 123.460 122.820 0.084 0.000 2.574 347 A HA 0.675 4.995 4.320 0.000 0.000 0.297 347 A C -1.850 175.877 177.584 0.238 0.000 1.062 347 A CA -0.451 51.617 52.037 0.052 0.000 0.686 347 A CB 0.941 19.861 19.000 -0.133 0.000 1.285 347 A HN 0.473 nan 8.150 nan 0.000 0.403 348 Y N 1.574 121.971 120.300 0.162 0.000 2.442 348 Y HA 0.212 4.762 4.550 -0.000 0.000 0.330 348 Y C 1.053 177.157 175.900 0.340 0.000 1.129 348 Y CA 0.844 59.079 58.100 0.225 0.000 1.365 348 Y CB 0.549 39.044 38.460 0.058 0.000 1.233 348 Y HN 0.703 nan 8.280 nan 0.000 0.529 349 H N 2.936 122.245 119.070 0.399 0.000 2.652 349 H HA 0.109 4.665 4.556 0.000 0.000 0.233 349 H C 1.152 176.541 175.328 0.101 0.000 1.762 349 H CA -0.162 55.906 56.048 0.033 0.000 1.285 349 H CB 0.157 29.722 29.762 -0.329 0.000 1.668 349 H HN 0.822 nan 8.280 nan 0.000 0.550 350 S N 1.238 117.151 115.700 0.355 0.000 2.383 350 S HA -0.139 4.331 4.470 0.000 0.000 0.227 350 S C 1.875 176.518 174.600 0.072 0.000 1.026 350 S CA 1.362 59.693 58.200 0.219 0.000 0.981 350 S CB -0.099 63.224 63.200 0.205 0.000 0.818 350 S HN 0.465 nan 8.310 nan 0.000 0.472 351 T N 2.859 117.495 114.554 0.138 0.000 2.665 351 T HA -0.082 4.268 4.350 0.000 0.000 0.268 351 T C 1.653 176.346 174.700 -0.011 0.000 1.035 351 T CA 1.667 63.825 62.100 0.097 0.000 1.151 351 T CB -0.682 68.265 68.868 0.132 0.000 0.862 351 T HN 0.376 nan 8.240 nan 0.000 0.438 352 L N 0.964 122.116 121.223 -0.118 0.000 2.046 352 L HA 0.045 4.385 4.340 0.000 0.000 0.208 352 L C 2.294 178.970 176.870 -0.322 0.000 1.077 352 L CA 1.702 56.290 54.840 -0.421 0.000 0.747 352 L CB -0.722 40.787 42.059 -0.917 0.000 0.896 352 L HN 0.194 nan 8.230 nan 0.000 0.432 353 M N -0.370 119.037 119.600 -0.321 0.000 2.080 353 M HA -0.179 4.301 4.480 0.000 0.000 0.260 353 M C 2.194 178.393 176.300 -0.169 0.000 1.068 353 M CA 2.316 57.373 55.300 -0.404 0.000 1.109 353 M CB -0.855 31.240 32.600 -0.842 0.000 1.342 353 M HN 0.391 nan 8.290 nan 0.000 0.405 354 A N -0.131 122.630 122.820 -0.100 0.000 1.930 354 A HA 0.077 4.397 4.320 0.000 0.000 0.217 354 A C 2.315 180.011 177.584 0.186 0.000 1.175 354 A CA 1.848 53.922 52.037 0.061 0.000 0.627 354 A CB -1.020 18.013 19.000 0.055 0.000 0.815 354 A HN 0.661 nan 8.150 nan 0.000 0.443 355 A N -0.464 122.359 122.820 0.006 0.000 2.014 355 A HA 0.208 4.528 4.320 0.000 0.000 0.218 355 A C 2.305 179.766 177.584 -0.206 0.000 1.163 355 A CA 1.625 53.599 52.037 -0.104 0.000 0.652 355 A CB -1.146 17.735 19.000 -0.198 0.000 0.808 355 A HN 0.639 nan 8.150 nan 0.000 0.449 356 G N -1.042 107.623 108.800 -0.224 0.000 2.421 356 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 356 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 356 G C 1.390 176.219 174.900 -0.117 0.000 1.171 356 G CA 0.970 45.899 45.100 -0.284 0.000 0.775 356 G HN 0.669 nan 8.290 nan 0.000 0.543 357 W N 1.137 122.472 121.300 0.059 0.000 2.381 357 W HA 0.055 4.715 4.660 0.000 0.000 0.301 357 W C 3.153 179.868 176.519 0.326 0.000 1.205 357 W CA 1.002 58.475 57.345 0.214 0.000 1.285 357 W CB -0.247 29.303 29.460 0.150 0.000 1.133 357 W HN 0.110 nan 8.180 nan 0.000 0.521 358 S N 0.510 116.464 115.700 0.422 0.000 2.359 358 S HA -0.236 4.234 4.470 0.000 0.000 0.224 358 S C 2.040 176.579 174.600 -0.101 0.000 1.035 358 S CA 1.617 59.873 58.200 0.093 0.000 1.018 358 S CB -1.016 62.106 63.200 -0.130 0.000 0.876 358 S HN 0.284 nan 8.310 nan 0.000 0.448 359 A N 1.307 124.007 122.820 -0.199 0.000 1.883 359 A HA -0.118 4.202 4.320 0.000 0.000 0.217 359 A C 2.151 179.788 177.584 0.088 0.000 1.186 359 A CA 1.634 53.497 52.037 -0.290 0.000 0.624 359 A CB -0.820 17.709 19.000 -0.786 0.000 0.822 359 A HN 0.411 nan 8.150 nan 0.000 0.444 360 L N -0.354 121.075 121.223 0.343 0.000 2.017 360 L HA -0.086 4.254 4.340 0.000 0.000 0.208 360 L C 2.753 179.786 176.870 0.271 0.000 1.073 360 L CA 2.306 57.440 54.840 0.489 0.000 0.745 360 L CB -0.767 41.575 42.059 0.471 0.000 0.894 360 L HN 0.354 nan 8.230 nan 0.000 0.432 361 A N -0.788 122.091 122.820 0.098 0.000 1.902 361 A HA -0.130 4.190 4.320 0.000 0.000 0.217 361 A C 2.124 179.417 177.584 -0.486 0.000 1.181 361 A CA 1.937 53.650 52.037 -0.539 0.000 0.623 361 A CB -0.813 17.746 19.000 -0.735 0.000 0.818 361 A HN 0.501 nan 8.150 nan 0.000 0.443 362 L N -1.463 119.614 121.223 -0.242 0.000 2.558 362 L HA 0.055 4.395 4.340 0.000 0.000 0.225 362 L C 0.339 177.162 176.870 -0.078 0.000 1.128 362 L CA 0.137 54.863 54.840 -0.190 0.000 0.868 362 L CB -0.366 41.569 42.059 -0.206 0.000 1.006 362 L HN 0.455 nan 8.230 nan 0.000 0.454 363 Q N 1.069 120.884 119.800 0.026 0.000 2.451 363 Q HA -0.197 4.143 4.340 0.000 0.000 0.305 363 Q C -0.169 175.868 176.000 0.062 0.000 1.345 363 Q CA 0.637 56.510 55.803 0.117 0.000 0.854 363 Q CB -1.129 27.651 28.738 0.070 0.000 1.162 363 Q HN 0.520 nan 8.270 nan 0.000 0.440 364 R N -0.717 119.781 120.500 -0.004 0.000 2.407 364 R HA 0.250 4.590 4.340 0.000 0.000 0.298 364 R C 1.176 177.347 176.300 -0.215 0.000 1.166 364 R CA 0.136 56.181 56.100 -0.093 0.000 1.006 364 R CB 0.901 31.105 30.300 -0.159 0.000 1.145 364 R HN 0.294 nan 8.270 nan 0.000 0.538 365 G N 1.695 110.433 108.800 -0.103 0.000 2.534 365 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 365 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 365 G C 1.072 175.874 174.900 -0.162 0.000 1.128 365 G CA 0.580 45.567 45.100 -0.189 0.000 0.784 365 G HN 0.627 nan 8.290 nan 0.000 0.542 366 D N 1.294 121.648 120.400 -0.076 0.000 2.218 366 D HA -0.144 4.496 4.640 0.000 0.000 0.204 366 D C 2.250 178.518 176.300 -0.054 0.000 0.976 366 D CA 0.468 54.467 54.000 -0.001 0.000 0.853 366 D CB -0.511 40.302 40.800 0.021 0.000 0.939 366 D HN 0.421 nan 8.370 nan 0.000 0.481 367 I N 0.137 120.581 120.570 -0.209 0.000 2.226 367 I HA -0.224 3.946 4.170 0.000 0.000 0.245 367 I C 2.561 178.476 176.117 -0.336 0.000 1.100 367 I CA 0.748 61.893 61.300 -0.258 0.000 1.374 367 I CB -0.195 37.505 38.000 -0.501 0.000 1.057 367 I HN -0.018 nan 8.210 nan 0.000 0.413 368 L N -0.185 120.677 121.223 -0.603 0.000 2.141 368 L HA -0.231 4.109 4.340 0.000 0.000 0.209 368 L C 2.702 179.174 176.870 -0.663 0.000 1.094 368 L CA 1.221 55.492 54.840 -0.949 0.000 0.763 368 L CB -0.784 40.142 42.059 -1.888 0.000 0.908 368 L HN 0.322 nan 8.230 nan 0.000 0.437 369 H N 0.245 119.126 119.070 -0.314 0.000 2.353 369 H HA -0.200 4.356 4.556 0.000 0.000 0.300 369 H C 2.138 177.516 175.328 0.085 0.000 1.090 369 H CA 2.051 58.167 56.048 0.113 0.000 1.327 369 H CB -0.033 29.826 29.762 0.161 0.000 1.383 369 H HN 0.198 nan 8.280 nan 0.000 0.508 370 N N 0.098 118.768 118.700 -0.048 0.000 2.043 370 N HA -0.148 4.592 4.740 0.000 0.000 0.193 370 N C 2.027 177.597 175.510 0.100 0.000 1.037 370 N CA 1.815 54.892 53.050 0.046 0.000 0.851 370 N CB -0.629 37.896 38.487 0.062 0.000 1.027 370 N HN 0.293 nan 8.380 nan 0.000 0.422 371 V N 1.094 120.988 119.914 -0.033 0.000 2.295 371 V HA -0.179 3.941 4.120 0.000 0.000 0.246 371 V C 2.312 178.414 176.094 0.012 0.000 1.049 371 V CA 1.161 63.453 62.300 -0.013 0.000 1.024 371 V CB -0.410 31.335 31.823 -0.129 0.000 0.648 371 V HN 0.309 nan 8.190 nan 0.000 0.447 372 I N 0.585 121.129 120.570 -0.043 0.000 2.252 372 I HA -0.145 4.025 4.170 0.000 0.000 0.245 372 I C 2.730 178.849 176.117 0.004 0.000 1.102 372 I CA 1.797 63.115 61.300 0.032 0.000 1.385 372 I CB -1.720 36.381 38.000 0.167 0.000 1.064 372 I HN 0.300 nan 8.210 nan 0.000 0.414 373 A N 0.127 122.866 122.820 -0.135 0.000 2.024 373 A HA -0.230 4.090 4.320 0.000 0.000 0.220 373 A C 1.807 179.211 177.584 -0.300 0.000 1.164 373 A CA 1.755 53.621 52.037 -0.284 0.000 0.643 373 A CB -1.030 17.599 19.000 -0.619 0.000 0.806 373 A HN 0.574 nan 8.150 nan 0.000 0.451 374 H N -1.306 117.745 119.070 -0.032 0.000 2.549 374 H HA 0.293 4.849 4.556 0.000 0.000 0.279 374 H C 0.547 175.914 175.328 0.066 0.000 1.018 374 H CA 0.328 56.391 56.048 0.024 0.000 1.175 374 H CB 0.272 30.056 29.762 0.037 0.000 1.485 374 H HN 0.320 nan 8.280 nan 0.000 0.543 375 S N 3.650 119.446 115.700 0.160 0.000 2.481 375 S HA 0.065 4.535 4.470 0.000 0.000 0.282 375 S C -2.206 172.541 174.600 0.244 0.000 1.243 375 S CA -1.372 56.953 58.200 0.208 0.000 1.078 375 S CB 0.192 63.530 63.200 0.230 0.000 0.916 375 S HN 0.197 nan 8.310 nan 0.000 0.495 376 P HA 0.174 nan 4.420 nan 0.000 0.267 376 P C -2.578 174.881 177.300 0.265 0.000 1.205 376 P CA -1.280 61.967 63.100 0.245 0.000 0.765 376 P CB -0.336 31.513 31.700 0.248 0.000 0.828 377 P HA 0.072 nan 4.420 nan 0.000 0.265 377 P C 0.024 177.307 177.300 -0.028 0.000 1.193 377 P CA 0.211 63.351 63.100 0.067 0.000 0.765 377 P CB 0.613 32.324 31.700 0.018 0.000 0.823 378 L N 5.559 126.703 121.223 -0.131 0.000 2.416 378 L HA 0.215 4.555 4.340 0.000 0.000 0.272 378 L C -1.650 174.995 176.870 -0.374 0.000 1.161 378 L CA -1.693 52.899 54.840 -0.414 0.000 0.845 378 L CB -0.513 41.229 42.059 -0.528 0.000 1.119 378 L HN 0.270 nan 8.230 nan 0.000 0.464 379 P HA 0.175 nan 4.420 nan 0.000 0.274 379 P C -0.606 176.490 177.300 -0.339 0.000 1.246 379 P CA -0.615 62.291 63.100 -0.324 0.000 0.795 379 P CB 0.474 32.004 31.700 -0.284 0.000 1.006 380 R N 1.646 121.969 120.500 -0.295 0.000 2.640 380 R HA -0.032 4.308 4.340 0.000 0.000 0.270 380 R C 0.251 176.353 176.300 -0.329 0.000 1.024 380 R CA 0.420 56.281 56.100 -0.398 0.000 1.085 380 R CB -0.348 29.673 30.300 -0.465 0.000 0.963 380 R HN 0.706 nan 8.270 nan 0.000 0.426 381 H N -1.972 117.018 119.070 -0.133 0.000 2.820 381 H HA -0.169 4.387 4.556 0.000 0.000 0.295 381 H C -0.516 174.869 175.328 0.095 0.000 1.187 381 H CA 0.386 56.405 56.048 -0.049 0.000 1.144 381 H CB -1.941 27.863 29.762 0.070 0.000 1.354 381 H HN 0.500 nan 8.280 nan 0.000 0.395 382 C N -0.417 118.852 119.300 -0.052 0.000 2.802 382 C HA 0.967 5.427 4.460 0.000 0.000 0.307 382 C C 0.637 175.438 174.990 -0.315 0.000 1.222 382 C CA 0.113 59.012 59.018 -0.198 0.000 1.580 382 C CB 2.345 29.549 27.740 -0.893 0.000 2.119 382 C HN 0.816 nan 8.230 nan 0.000 0.479 383 A N 0.729 123.437 122.820 -0.186 0.000 2.529 383 A HA 0.904 5.224 4.320 0.000 0.000 0.296 383 A C -2.267 175.220 177.584 -0.161 0.000 1.205 383 A CA -0.635 51.272 52.037 -0.216 0.000 0.671 383 A CB 0.590 19.610 19.000 0.033 0.000 1.301 383 A HN 0.848 nan 8.150 nan 0.000 0.450 384 W N -0.362 121.016 121.300 0.130 0.000 2.578 384 W HA 0.613 5.273 4.660 -0.000 0.000 0.346 384 W C -0.149 176.390 176.519 0.034 0.000 1.075 384 W CA -0.657 56.779 57.345 0.152 0.000 1.233 384 W CB 1.438 31.038 29.460 0.234 0.000 1.358 384 W HN 0.435 nan 8.180 nan 0.000 0.574 385 L N 3.410 124.774 121.223 0.235 0.000 2.264 385 L HA 0.461 4.801 4.340 0.000 0.000 0.287 385 L C -0.565 176.423 176.870 0.195 0.000 1.039 385 L CA 0.141 54.953 54.840 -0.048 0.000 0.829 385 L CB 0.108 41.828 42.059 -0.565 0.000 1.211 385 L HN 0.351 nan 8.230 nan 0.000 0.427 386 S N 5.436 121.275 115.700 0.230 0.000 2.525 386 S HA 0.779 5.249 4.470 0.000 0.000 0.290 386 S C -0.944 173.873 174.600 0.361 0.000 1.152 386 S CA -0.284 58.085 58.200 0.282 0.000 1.072 386 S CB 1.350 64.637 63.200 0.145 0.000 1.027 386 S HN 0.612 nan 8.310 nan 0.000 0.500 387 Y N -1.114 119.212 120.300 0.042 0.000 2.725 387 Y HA 0.684 5.234 4.550 0.000 0.000 0.333 387 Y C -0.371 175.479 175.900 -0.085 0.000 1.242 387 Y CA -1.168 56.950 58.100 0.030 0.000 1.059 387 Y CB -0.021 38.521 38.460 0.137 0.000 1.306 387 Y HN 0.218 nan 8.280 nan 0.000 0.454 388 V N -0.114 119.711 119.914 -0.148 0.000 2.911 388 V HA 0.447 4.567 4.120 0.000 0.000 0.237 388 V C 0.390 176.540 176.094 0.093 0.000 1.156 388 V CA 0.453 62.603 62.300 -0.251 0.000 1.180 388 V CB 0.131 31.548 31.823 -0.677 0.000 0.932 388 V HN 0.717 nan 8.190 nan 0.000 0.483 389 R N -0.681 119.923 120.500 0.173 0.000 2.846 389 R HA 0.745 5.085 4.340 0.000 0.000 0.263 389 R C -1.049 175.183 176.300 -0.113 0.000 1.080 389 R CA 0.255 56.372 56.100 0.028 0.000 0.961 389 R CB 1.750 32.078 30.300 0.047 0.000 1.231 389 R HN 0.509 nan 8.270 nan 0.000 0.465 390 C N -1.722 117.183 119.300 -0.659 0.000 3.266 390 C HA 0.401 4.861 4.460 0.000 0.000 0.369 390 C C 1.594 175.916 174.990 -1.113 0.000 1.580 390 C CA -0.648 57.824 59.018 -0.909 0.000 1.165 390 C CB 0.625 28.189 27.740 -0.293 0.000 1.835 390 C HN 1.017 nan 8.230 nan 0.000 0.433 391 H N 0.397 119.117 119.070 -0.583 0.000 2.545 391 H HA 0.162 4.718 4.556 0.000 0.000 0.282 391 H C -0.244 175.088 175.328 0.006 0.000 1.020 391 H CA 1.318 57.331 56.048 -0.058 0.000 1.243 391 H CB -0.490 29.339 29.762 0.111 0.000 1.377 391 H HN 0.676 nan 8.280 nan 0.000 0.581 392 D N 1.950 121.906 120.400 -0.740 0.000 2.440 392 D HA 0.072 4.712 4.640 0.000 0.000 0.258 392 D C 0.250 176.242 176.300 -0.513 0.000 1.092 392 D CA -0.472 53.200 54.000 -0.548 0.000 1.016 392 D CB 1.348 41.784 40.800 -0.607 0.000 1.141 392 D HN 0.353 nan 8.370 nan 0.000 0.552 393 D N -0.266 119.877 120.400 -0.429 0.000 2.357 393 D HA 0.057 4.697 4.640 0.000 0.000 0.242 393 D C 0.360 176.401 176.300 -0.432 0.000 1.153 393 D CA -0.173 53.587 54.000 -0.399 0.000 0.918 393 D CB 0.923 41.564 40.800 -0.264 0.000 1.181 393 D HN 0.265 nan 8.370 nan 0.000 0.435 394 I N 0.552 120.796 120.570 -0.544 0.000 2.436 394 I HA 0.150 4.320 4.170 0.000 0.000 0.289 394 I C 1.188 176.838 176.117 -0.777 0.000 1.083 394 I CA -0.193 60.652 61.300 -0.759 0.000 1.372 394 I CB 0.763 38.035 38.000 -1.213 0.000 1.408 394 I HN 0.416 nan 8.210 nan 0.000 0.516 395 G N 6.094 114.582 108.800 -0.520 0.000 2.530 395 G HA2 0.133 4.093 3.960 0.000 0.000 0.313 395 G HA3 0.133 4.093 3.960 0.000 0.000 0.313 395 G C 0.256 175.003 174.900 -0.254 0.000 0.971 395 G CA -0.446 44.476 45.100 -0.298 0.000 1.237 395 G HN 0.838 nan 8.290 nan 0.000 0.446 396 W N 1.684 123.015 121.300 0.052 0.000 2.425 396 W HA -0.065 4.595 4.660 -0.000 0.000 0.277 396 W C 2.111 178.675 176.519 0.075 0.000 1.231 396 W CA 0.258 57.648 57.345 0.075 0.000 1.248 396 W CB -0.064 29.455 29.460 0.097 0.000 1.117 396 W HN 0.558 nan 8.180 nan 0.000 0.568 397 N N 0.503 119.350 118.700 0.246 0.000 2.348 397 N HA -0.166 4.574 4.740 0.000 0.000 0.185 397 N C 1.700 177.283 175.510 0.122 0.000 1.019 397 N CA 1.555 54.702 53.050 0.163 0.000 0.880 397 N CB -0.291 38.269 38.487 0.122 0.000 0.965 397 N HN 0.091 nan 8.380 nan 0.000 0.437 398 V N -1.364 118.615 119.914 0.109 0.000 3.078 398 V HA -0.062 4.058 4.120 0.000 0.000 0.265 398 V C 1.303 177.465 176.094 0.114 0.000 1.122 398 V CA 1.327 63.682 62.300 0.091 0.000 1.141 398 V CB -0.621 31.244 31.823 0.071 0.000 0.735 398 V HN 0.295 nan 8.190 nan 0.000 0.498 399 L N -0.359 120.955 121.223 0.153 0.000 2.685 399 L HA 0.192 4.532 4.340 0.000 0.000 0.233 399 L C 2.246 179.156 176.870 0.066 0.000 1.173 399 L CA 0.014 54.953 54.840 0.165 0.000 0.961 399 L CB -0.080 42.162 42.059 0.304 0.000 1.217 399 L HN 0.316 nan 8.230 nan 0.000 0.478 400 Q N 0.408 120.242 119.800 0.057 0.000 2.045 400 Q HA -0.281 4.059 4.340 0.000 0.000 0.206 400 Q C 2.066 178.038 176.000 -0.046 0.000 0.991 400 Q CA 2.148 57.948 55.803 -0.005 0.000 0.851 400 Q CB -0.159 28.596 28.738 0.029 0.000 0.911 400 Q HN 0.516 nan 8.270 nan 0.000 0.418 401 H N -0.266 118.765 119.070 -0.065 0.000 2.293 401 H HA -0.097 4.459 4.556 0.000 0.000 0.300 401 H C 1.577 176.832 175.328 -0.121 0.000 1.082 401 H CA 2.164 58.163 56.048 -0.082 0.000 1.308 401 H CB 0.071 29.800 29.762 -0.055 0.000 1.375 401 H HN 0.257 nan 8.280 nan 0.000 0.495 402 E N 0.169 120.267 120.200 -0.170 0.000 2.153 402 E HA -0.078 4.272 4.350 0.000 0.000 0.194 402 E C 2.248 178.613 176.600 -0.392 0.000 0.988 402 E CA 1.012 57.297 56.400 -0.191 0.000 0.811 402 E CB -0.384 29.370 29.700 0.090 0.000 0.746 402 E HN 0.612 nan 8.360 nan 0.000 0.466 403 A N 0.031 122.452 122.820 -0.666 0.000 2.070 403 A HA -0.189 4.131 4.320 0.000 0.000 0.220 403 A C 2.123 179.312 177.584 -0.660 0.000 1.159 403 A CA 1.124 52.425 52.037 -1.227 0.000 0.656 403 A CB -0.746 17.728 19.000 -0.876 0.000 0.800 403 A HN 0.404 nan 8.150 nan 0.000 0.453 404 C N -1.447 117.594 119.300 -0.432 0.000 2.456 404 C HA 0.416 4.876 4.460 0.000 0.000 0.279 404 C C 1.679 176.522 174.990 -0.244 0.000 1.427 404 C CA 0.283 59.124 59.018 -0.295 0.000 1.778 404 C CB -1.815 25.771 27.740 -0.257 0.000 1.842 404 C HN 1.128 nan 8.230 nan 0.000 0.531 405 G N 1.827 110.472 108.800 -0.260 0.000 2.829 405 G HA2 0.021 3.981 3.960 0.000 0.000 0.628 405 G HA3 0.021 3.981 3.960 0.000 0.000 0.628 405 G C -0.731 174.086 174.900 -0.139 0.000 1.412 405 G CA 0.008 45.024 45.100 -0.140 0.000 0.864 405 G HN 0.782 nan 8.290 nan 0.000 0.544 406 N N -2.399 116.263 118.700 -0.063 0.000 3.449 406 N HA 0.786 5.526 4.740 0.000 0.000 0.312 406 N C 1.418 176.937 175.510 0.014 0.000 1.582 406 N CA 0.765 53.794 53.050 -0.035 0.000 0.850 406 N CB 0.287 38.752 38.487 -0.036 0.000 1.822 406 N HN 1.798 nan 8.380 nan 0.000 0.577 407 A N -0.390 122.453 122.820 0.039 0.000 1.917 407 A HA 0.036 4.356 4.320 0.000 0.000 0.219 407 A C 1.969 179.588 177.584 0.058 0.000 1.182 407 A CA 3.065 55.131 52.037 0.048 0.000 0.633 407 A CB -1.507 17.529 19.000 0.060 0.000 0.819 407 A HN 0.923 nan 8.150 nan 0.000 0.448 408 A N -2.286 120.588 122.820 0.090 0.000 1.997 408 A HA 0.174 4.494 4.320 0.000 0.000 0.212 408 A C 1.339 178.979 177.584 0.093 0.000 1.178 408 A CA 0.844 52.944 52.037 0.104 0.000 0.698 408 A CB -0.014 19.093 19.000 0.178 0.000 0.842 408 A HN 0.530 nan 8.150 nan 0.000 0.458 409 Q N 0.682 120.535 119.800 0.089 0.000 2.341 409 Q HA 0.399 4.739 4.340 0.000 0.000 0.268 409 Q C -2.997 173.038 176.000 0.057 0.000 1.013 409 Q CA -2.354 53.497 55.803 0.081 0.000 0.798 409 Q CB 1.918 30.718 28.738 0.104 0.000 1.253 409 Q HN 0.105 nan 8.270 nan 0.000 0.457 410 P HA 0.166 nan 4.420 nan 0.000 0.271 410 P C -2.559 174.774 177.300 0.055 0.000 1.233 410 P CA -0.848 62.273 63.100 0.036 0.000 0.789 410 P CB -0.032 31.688 31.700 0.033 0.000 0.951 411 P HA 0.147 nan 4.420 nan 0.000 0.271 411 P C -0.917 176.418 177.300 0.058 0.000 1.233 411 P CA 0.322 63.389 63.100 -0.055 0.000 0.789 411 P CB 0.176 31.816 31.700 -0.100 0.000 0.951 412 F N -2.475 117.438 119.950 -0.062 0.000 2.629 412 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 412 F C -0.463 175.298 175.800 -0.065 0.000 1.081 412 F CA -1.370 56.592 58.000 -0.064 0.000 0.954 412 F CB 1.066 40.025 39.000 -0.068 0.000 1.337 412 F HN 0.110 nan 8.300 nan 0.000 0.474 413 S N 2.460 118.251 115.700 0.152 0.000 2.404 413 S HA 0.392 4.862 4.470 0.000 0.000 0.309 413 S C 0.752 175.385 174.600 0.054 0.000 1.076 413 S CA -0.708 57.509 58.200 0.028 0.000 1.095 413 S CB 0.063 63.262 63.200 -0.003 0.000 0.972 413 S HN 0.800 nan 8.310 nan 0.000 0.484 414 L N 4.586 125.810 121.223 0.001 0.000 2.083 414 L HA -0.064 4.276 4.340 0.000 0.000 0.209 414 L C 2.864 179.665 176.870 -0.115 0.000 1.083 414 L CA 1.083 55.919 54.840 -0.005 0.000 0.752 414 L CB -0.393 41.688 42.059 0.037 0.000 0.899 414 L HN 0.686 nan 8.230 nan 0.000 0.433 415 R N 0.488 120.941 120.500 -0.078 0.000 2.080 415 R HA -0.201 4.139 4.340 0.000 0.000 0.236 415 R C 1.836 178.074 176.300 -0.103 0.000 1.137 415 R CA 2.217 58.267 56.100 -0.084 0.000 0.943 415 R CB -0.211 30.053 30.300 -0.061 0.000 0.846 415 R HN 0.311 nan 8.270 nan 0.000 0.431 416 D N -0.042 120.309 120.400 -0.082 0.000 2.144 416 D HA -0.114 4.526 4.640 0.000 0.000 0.199 416 D C 1.999 178.226 176.300 -0.121 0.000 0.984 416 D CA 1.047 55.002 54.000 -0.075 0.000 0.834 416 D CB -0.171 40.597 40.800 -0.052 0.000 0.955 416 D HN 0.108 nan 8.370 nan 0.000 0.465 417 V N 1.454 121.248 119.914 -0.200 0.000 2.295 417 V HA -0.245 3.875 4.120 0.000 0.000 0.246 417 V C 2.539 178.379 176.094 -0.422 0.000 1.049 417 V CA 1.860 63.960 62.300 -0.332 0.000 1.024 417 V CB -0.803 30.748 31.823 -0.452 0.000 0.648 417 V HN 0.190 nan 8.190 nan 0.000 0.447 418 A N -0.194 122.288 122.820 -0.563 0.000 1.902 418 A HA -0.222 4.098 4.320 0.000 0.000 0.217 418 A C 2.367 179.911 177.584 -0.066 0.000 1.181 418 A CA 1.830 53.630 52.037 -0.395 0.000 0.623 418 A CB -0.493 18.340 19.000 -0.278 0.000 0.818 418 A HN 0.497 nan 8.150 nan 0.000 0.443 419 R N -2.047 118.410 120.500 -0.071 0.000 2.115 419 R HA -0.073 4.267 4.340 0.000 0.000 0.230 419 R C 1.936 178.207 176.300 -0.049 0.000 1.111 419 R CA 1.443 57.525 56.100 -0.030 0.000 0.976 419 R CB -0.423 29.858 30.300 -0.032 0.000 0.870 419 R HN 0.617 nan 8.270 nan 0.000 0.445 420 F N -0.046 119.769 119.950 -0.224 0.000 2.102 420 F HA -0.222 4.306 4.527 0.000 0.000 0.298 420 F C 1.437 177.026 175.800 -0.352 0.000 1.105 420 F CA 1.456 59.253 58.000 -0.338 0.000 1.239 420 F CB -0.172 38.524 39.000 -0.506 0.000 0.991 420 F HN -0.052 nan 8.300 nan 0.000 0.474 421 Y N -0.065 120.233 120.300 -0.004 0.000 2.571 421 Y HA 0.145 4.695 4.550 -0.000 0.000 0.294 421 Y C 2.245 178.109 175.900 -0.060 0.000 1.141 421 Y CA 0.590 58.669 58.100 -0.036 0.000 1.308 421 Y CB -0.910 37.635 38.460 0.142 0.000 1.002 421 Y HN 0.168 nan 8.280 nan 0.000 0.551 422 A N -0.379 122.477 122.820 0.061 0.000 2.275 422 A HA 0.080 4.400 4.320 0.000 0.000 0.212 422 A C 1.053 178.619 177.584 -0.029 0.000 1.201 422 A CA 0.598 52.669 52.037 0.057 0.000 0.843 422 A CB -0.575 18.477 19.000 0.087 0.000 0.873 422 A HN 0.440 nan 8.150 nan 0.000 0.492 423 N N -2.091 116.517 118.700 -0.152 0.000 2.735 423 N HA -0.235 4.505 4.740 0.000 0.000 0.248 423 N C 0.494 175.938 175.510 -0.110 0.000 1.083 423 N CA 1.100 54.033 53.050 -0.194 0.000 0.703 423 N CB -1.430 36.983 38.487 -0.124 0.000 1.005 423 N HN 0.572 nan 8.380 nan 0.000 0.550 424 A N -1.235 121.532 122.820 -0.089 0.000 2.307 424 A HA 0.433 4.753 4.320 0.000 0.000 0.218 424 A C 0.596 178.150 177.584 -0.049 0.000 1.228 424 A CA 0.617 52.628 52.037 -0.043 0.000 0.857 424 A CB 0.548 19.538 19.000 -0.015 0.000 0.897 424 A HN 0.489 nan 8.150 nan 0.000 0.495 425 V N -0.410 119.455 119.914 -0.082 0.000 2.656 425 V HA 0.405 4.525 4.120 0.000 0.000 0.307 425 V C -1.911 174.142 176.094 -0.068 0.000 1.051 425 V CA -1.780 60.486 62.300 -0.056 0.000 0.893 425 V CB 1.821 33.629 31.823 -0.025 0.000 0.999 425 V HN 0.236 nan 8.190 nan 0.000 0.426 426 P HA -0.203 nan 4.420 nan 0.000 0.216 426 P C 1.212 178.497 177.300 -0.024 0.000 1.062 426 P CA 2.361 65.448 63.100 -0.020 0.000 0.995 426 P CB -0.028 31.671 31.700 -0.000 0.000 0.762 427 G N -1.570 107.230 108.800 0.000 0.000 2.956 427 G HA2 -0.013 3.947 3.960 0.000 0.000 0.207 427 G HA3 -0.013 3.947 3.960 0.000 0.000 0.207 427 G C 0.440 175.331 174.900 -0.014 0.000 1.162 427 G CA 0.044 45.157 45.100 0.023 0.000 0.796 427 G HN 0.404 nan 8.290 nan 0.000 0.527 428 S N 0.221 115.802 115.700 -0.198 0.000 2.537 428 S HA 0.125 4.595 4.470 0.000 0.000 0.286 428 S C 1.190 175.569 174.600 -0.368 0.000 1.299 428 S CA -0.493 57.353 58.200 -0.591 0.000 1.067 428 S CB 0.203 62.737 63.200 -1.109 0.000 0.864 428 S HN 0.482 nan 8.310 nan 0.000 0.494 429 Y N 2.819 123.016 120.300 -0.171 0.000 2.466 429 Y HA 0.600 5.150 4.550 -0.000 0.000 0.272 429 Y C 0.602 176.473 175.900 -0.047 0.000 1.169 429 Y CA -0.463 57.617 58.100 -0.033 0.000 1.285 429 Y CB -0.896 37.614 38.460 0.083 0.000 1.078 429 Y HN 0.604 nan 8.280 nan 0.000 0.523 430 A N 1.727 124.377 122.820 -0.284 0.000 2.340 430 A HA 0.692 5.012 4.320 0.000 0.000 0.268 430 A C 0.430 177.998 177.584 -0.027 0.000 1.100 430 A CA -0.820 51.185 52.037 -0.053 0.000 0.803 430 A CB 0.504 19.377 19.000 -0.212 0.000 1.043 430 A HN 0.353 nan 8.150 nan 0.000 0.488 431 R N 1.733 122.283 120.500 0.084 0.000 2.795 431 R HA 0.256 4.596 4.340 0.000 0.000 0.320 431 R C 0.328 176.684 176.300 0.094 0.000 1.223 431 R CA 0.115 56.257 56.100 0.069 0.000 1.305 431 R CB 0.577 30.927 30.300 0.083 0.000 1.318 431 R HN 0.845 nan 8.270 nan 0.000 0.636 432 G N -0.001 108.858 108.800 0.099 0.000 2.568 432 G HA2 0.574 4.534 3.960 0.000 0.000 0.293 432 G HA3 0.574 4.534 3.960 0.000 0.000 0.293 432 G C -0.698 174.274 174.900 0.120 0.000 1.347 432 G CA -0.300 44.865 45.100 0.109 0.000 1.039 432 G HN 0.129 nan 8.290 nan 0.000 0.523 433 E N -0.649 119.637 120.200 0.144 0.000 2.308 433 E HA 0.339 4.689 4.350 0.000 0.000 0.275 433 E C -1.021 175.701 176.600 0.203 0.000 0.890 433 E CA -0.650 55.847 56.400 0.162 0.000 0.754 433 E CB 2.136 31.942 29.700 0.178 0.000 1.207 433 E HN 0.389 nan 8.360 nan 0.000 0.426 434 S N 1.844 117.670 115.700 0.211 0.000 2.549 434 S HA 0.040 4.510 4.470 0.000 0.000 0.286 434 S C 0.209 174.988 174.600 0.298 0.000 1.314 434 S CA -0.183 58.176 58.200 0.265 0.000 1.062 434 S CB 0.178 63.529 63.200 0.252 0.000 0.865 434 S HN 0.525 nan 8.310 nan 0.000 0.498 435 F N 4.164 124.178 119.950 0.106 0.000 2.135 435 F HA 0.275 4.802 4.527 -0.000 0.000 0.280 435 F C 1.434 177.200 175.800 -0.056 0.000 1.109 435 F CA 0.933 58.953 58.000 0.033 0.000 1.163 435 F CB -0.971 38.036 39.000 0.011 0.000 1.062 435 F HN 0.530 nan 8.300 nan 0.000 0.496 443 H N 2.157 121.321 119.070 0.156 0.000 2.732 443 H HA 0.456 5.012 4.556 0.000 0.000 0.351 443 H C 0.997 176.513 175.328 0.313 0.000 1.090 443 H CA 0.245 56.399 56.048 0.176 0.000 1.431 443 H CB 1.381 31.218 29.762 0.124 0.000 1.447 443 H HN 0.873 nan 8.280 nan 0.000 0.582 444 G N 1.375 110.407 108.800 0.386 0.000 2.684 444 G HA2 0.153 4.113 3.960 0.000 0.000 0.255 444 G HA3 0.153 4.113 3.960 0.000 0.000 0.255 444 G C -0.477 174.626 174.900 0.339 0.000 1.219 444 G CA -0.428 44.839 45.100 0.278 0.000 0.901 444 G HN 0.542 nan 8.290 nan 0.000 0.548 445 T N 1.466 116.122 114.554 0.170 0.000 2.812 445 T HA 0.377 4.727 4.350 0.000 0.000 0.282 445 T C -0.194 174.490 174.700 -0.027 0.000 0.990 445 T CA -0.624 61.592 62.100 0.194 0.000 0.960 445 T CB 1.200 70.285 68.868 0.362 0.000 0.948 445 T HN 0.417 nan 8.240 nan 0.000 0.438 446 N N 1.301 120.037 118.700 0.059 0.000 2.489 446 N HA 0.804 5.544 4.740 0.000 0.000 0.284 446 N C 0.248 175.818 175.510 0.101 0.000 1.158 446 N CA -0.070 53.031 53.050 0.086 0.000 0.965 446 N CB 1.746 40.289 38.487 0.094 0.000 1.195 446 N HN 1.065 nan 8.380 nan 0.000 0.506 447 G N 0.065 109.006 108.800 0.236 0.000 2.348 447 G HA2 -0.016 3.944 3.960 0.000 0.000 0.606 447 G HA3 -0.016 3.944 3.960 0.000 0.000 0.606 447 G C -0.908 174.025 174.900 0.055 0.000 1.466 447 G CA -0.888 44.289 45.100 0.129 0.000 0.950 447 G HN 0.233 nan 8.290 nan 0.000 0.657 448 M N 1.315 121.004 119.600 0.148 0.000 2.228 448 M HA 0.446 4.926 4.480 0.000 0.000 0.326 448 M C 1.961 178.348 176.300 0.145 0.000 1.122 448 M CA 0.381 55.794 55.300 0.187 0.000 1.161 448 M CB 0.823 33.551 32.600 0.214 0.000 1.437 448 M HN 1.253 nan 8.290 nan 0.000 0.465 449 A N 2.319 125.289 122.820 0.250 0.000 1.892 449 A HA -0.114 4.206 4.320 0.000 0.000 0.218 449 A C 2.102 179.919 177.584 0.388 0.000 1.188 449 A CA 2.446 54.728 52.037 0.407 0.000 0.631 449 A CB -0.967 18.357 19.000 0.540 0.000 0.822 449 A HN 0.927 nan 8.150 nan 0.000 0.447 450 A N -0.486 122.508 122.820 0.290 0.000 1.972 450 A HA 0.187 4.507 4.320 0.000 0.000 0.219 450 A C 2.438 180.153 177.584 0.217 0.000 1.169 450 A CA 1.985 54.163 52.037 0.234 0.000 0.635 450 A CB -0.853 18.252 19.000 0.174 0.000 0.810 450 A HN 1.082 nan 8.150 nan 0.000 0.446 451 A N -0.323 122.613 122.820 0.195 0.000 1.930 451 A HA 0.058 4.378 4.320 0.000 0.000 0.217 451 A C 2.087 179.800 177.584 0.215 0.000 1.175 451 A CA 1.343 53.485 52.037 0.174 0.000 0.627 451 A CB -0.456 18.630 19.000 0.143 0.000 0.815 451 A HN 0.471 nan 8.150 nan 0.000 0.443 452 L N -1.172 120.179 121.223 0.213 0.000 2.179 452 L HA -0.017 4.323 4.340 0.000 0.000 0.208 452 L C 2.732 180.001 176.870 0.665 0.000 1.096 452 L CA 0.826 55.840 54.840 0.289 0.000 0.779 452 L CB -0.343 41.554 42.059 -0.271 0.000 0.922 452 L HN 0.380 nan 8.230 nan 0.000 0.443 453 A N -0.451 122.735 122.820 0.610 0.000 2.208 453 A HA 0.307 4.627 4.320 0.000 0.000 0.209 453 A C 1.753 179.485 177.584 0.247 0.000 1.161 453 A CA 0.895 53.255 52.037 0.538 0.000 0.782 453 A CB -0.282 18.914 19.000 0.327 0.000 0.816 453 A HN 0.521 nan 8.150 nan 0.000 0.477 454 G N -1.065 107.929 108.800 0.325 0.000 2.201 454 G HA2 -0.225 3.735 3.960 0.000 0.000 0.212 454 G HA3 -0.225 3.735 3.960 0.000 0.000 0.212 454 G C 0.877 175.835 174.900 0.097 0.000 0.994 454 G CA 0.250 45.458 45.100 0.180 0.000 0.644 454 G HN 0.337 nan 8.290 nan 0.000 0.508 455 I N 0.583 121.217 120.570 0.107 0.000 2.252 455 I HA -0.160 4.010 4.170 0.000 0.000 0.245 455 I C 2.685 178.857 176.117 0.091 0.000 1.102 455 I CA 2.043 63.392 61.300 0.083 0.000 1.385 455 I CB -0.202 37.853 38.000 0.092 0.000 1.064 455 I HN 0.413 nan 8.210 nan 0.000 0.414 456 Q N 1.097 120.966 119.800 0.114 0.000 2.020 456 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 456 Q C 2.379 178.432 176.000 0.089 0.000 0.982 456 Q CA 2.019 57.882 55.803 0.100 0.000 0.838 456 Q CB -0.129 28.675 28.738 0.110 0.000 0.899 456 Q HN 0.522 nan 8.270 nan 0.000 0.423 457 A N 0.857 123.740 122.820 0.104 0.000 1.892 457 A HA -0.204 4.116 4.320 0.000 0.000 0.218 457 A C 2.285 179.915 177.584 0.077 0.000 1.188 457 A CA 1.986 54.079 52.037 0.093 0.000 0.631 457 A CB -1.101 17.973 19.000 0.122 0.000 0.822 457 A HN 0.581 nan 8.150 nan 0.000 0.447 458 A N -0.946 121.918 122.820 0.074 0.000 1.933 458 A HA -0.203 4.117 4.320 0.000 0.000 0.218 458 A C 2.123 179.736 177.584 0.048 0.000 1.175 458 A CA 1.660 53.730 52.037 0.055 0.000 0.628 458 A CB -0.527 18.497 19.000 0.040 0.000 0.814 458 A HN 0.679 nan 8.150 nan 0.000 0.444 459 Q N -0.560 119.271 119.800 0.051 0.000 2.123 459 Q HA -0.151 4.189 4.340 0.000 0.000 0.199 459 Q C 1.828 177.854 176.000 0.043 0.000 0.966 459 Q CA 1.427 57.257 55.803 0.046 0.000 0.845 459 Q CB -0.157 28.610 28.738 0.049 0.000 0.907 459 Q HN 0.760 nan 8.270 nan 0.000 0.439 460 E N 0.321 120.549 120.200 0.048 0.000 2.204 460 E HA -0.096 4.254 4.350 0.000 0.000 0.194 460 E C 1.383 178.006 176.600 0.038 0.000 0.989 460 E CA 0.837 57.263 56.400 0.043 0.000 0.824 460 E CB 0.067 29.794 29.700 0.046 0.000 0.756 460 E HN 0.272 nan 8.360 nan 0.000 0.477 461 A N 0.530 123.374 122.820 0.041 0.000 2.308 461 A HA 0.321 4.641 4.320 0.000 0.000 0.217 461 A C 1.587 179.191 177.584 0.034 0.000 1.216 461 A CA 0.483 52.543 52.037 0.038 0.000 0.864 461 A CB -0.086 18.940 19.000 0.043 0.000 0.902 461 A HN 0.242 nan 8.150 nan 0.000 0.499 462 G N 0.516 109.336 108.800 0.034 0.000 2.356 462 G HA2 -0.264 3.696 3.960 0.000 0.000 0.296 462 G HA3 -0.264 3.696 3.960 0.000 0.000 0.296 462 G C -0.138 174.780 174.900 0.030 0.000 1.022 462 G CA 0.579 45.697 45.100 0.030 0.000 0.961 462 G HN 0.552 nan 8.290 nan 0.000 0.510 463 D N 0.023 120.443 120.400 0.033 0.000 2.485 463 D HA 0.615 5.255 4.640 0.000 0.000 0.221 463 D C 1.448 177.766 176.300 0.029 0.000 1.112 463 D CA 0.212 54.231 54.000 0.032 0.000 0.911 463 D CB 0.519 41.342 40.800 0.038 0.000 1.019 463 D HN 0.286 nan 8.370 nan 0.000 0.516 464 A N 3.626 126.461 122.820 0.026 0.000 1.948 464 A HA -0.127 4.193 4.320 0.000 0.000 0.220 464 A C 2.106 179.703 177.584 0.023 0.000 1.177 464 A CA 1.962 54.014 52.037 0.024 0.000 0.636 464 A CB -0.380 18.634 19.000 0.022 0.000 0.815 464 A HN 0.594 nan 8.150 nan 0.000 0.449 465 A N -0.269 122.566 122.820 0.025 0.000 1.873 465 A HA 0.195 4.515 4.320 0.000 0.000 0.215 465 A C 2.518 180.116 177.584 0.023 0.000 1.186 465 A CA 2.020 54.072 52.037 0.025 0.000 0.616 465 A CB -1.044 17.973 19.000 0.029 0.000 0.823 465 A HN 1.103 nan 8.150 nan 0.000 0.442 466 A N -0.659 122.176 122.820 0.025 0.000 1.972 466 A HA -0.013 4.307 4.320 0.000 0.000 0.219 466 A C 2.115 179.696 177.584 -0.005 0.000 1.169 466 A CA 1.694 53.741 52.037 0.016 0.000 0.635 466 A CB -0.563 18.457 19.000 0.033 0.000 0.810 466 A HN 0.617 nan 8.150 nan 0.000 0.446 467 L N -0.153 121.076 121.223 0.009 0.000 1.994 467 L HA -0.062 4.278 4.340 0.000 0.000 0.208 467 L C 2.720 179.589 176.870 -0.002 0.000 1.071 467 L CA 2.249 57.094 54.840 0.008 0.000 0.745 467 L CB -0.911 41.161 42.059 0.021 0.000 0.892 467 L HN 0.338 nan 8.230 nan 0.000 0.431 468 A N -1.122 121.701 122.820 0.005 0.000 1.917 468 A HA -0.193 4.127 4.320 0.000 0.000 0.219 468 A C 2.251 179.831 177.584 -0.006 0.000 1.182 468 A CA 2.290 54.330 52.037 0.005 0.000 0.633 468 A CB -1.174 17.834 19.000 0.014 0.000 0.819 468 A HN 0.349 nan 8.150 nan 0.000 0.448 469 V N -0.427 119.480 119.914 -0.012 0.000 2.379 469 V HA -0.174 3.946 4.120 0.000 0.000 0.245 469 V C 3.019 179.026 176.094 -0.146 0.000 1.044 469 V CA 1.704 63.989 62.300 -0.026 0.000 1.036 469 V CB -1.215 30.615 31.823 0.012 0.000 0.664 469 V HN 0.619 nan 8.190 nan 0.000 0.453 470 A N -0.077 122.652 122.820 -0.152 0.000 1.940 470 A HA -0.165 4.155 4.320 0.000 0.000 0.219 470 A C 2.404 179.923 177.584 -0.108 0.000 1.176 470 A CA 2.061 53.985 52.037 -0.188 0.000 0.631 470 A CB -0.678 18.264 19.000 -0.097 0.000 0.814 470 A HN 0.331 nan 8.150 nan 0.000 0.446 471 V N 0.596 120.479 119.914 -0.051 0.000 2.343 471 V HA -0.245 3.875 4.120 0.000 0.000 0.247 471 V C 2.160 178.233 176.094 -0.034 0.000 1.051 471 V CA 2.286 64.576 62.300 -0.017 0.000 1.036 471 V CB -0.755 31.070 31.823 0.002 0.000 0.654 471 V HN 0.512 nan 8.190 nan 0.000 0.451 472 D N -0.203 120.166 120.400 -0.052 0.000 2.144 472 D HA -0.149 4.491 4.640 0.000 0.000 0.199 472 D C 2.408 178.647 176.300 -0.103 0.000 0.984 472 D CA 1.176 55.151 54.000 -0.041 0.000 0.834 472 D CB -0.212 40.600 40.800 0.021 0.000 0.955 472 D HN 0.419 nan 8.370 nan 0.000 0.465 473 R N 0.002 120.358 120.500 -0.239 0.000 2.073 473 R HA -0.103 4.237 4.340 0.000 0.000 0.234 473 R C 2.334 178.541 176.300 -0.155 0.000 1.134 473 R CA 0.542 56.448 56.100 -0.323 0.000 0.952 473 R CB -0.496 29.518 30.300 -0.477 0.000 0.850 473 R HN 0.138 nan 8.270 nan 0.000 0.433 474 L N 0.892 122.085 121.223 -0.051 0.000 2.012 474 L HA -0.151 4.189 4.340 0.000 0.000 0.210 474 L C 2.099 179.029 176.870 0.100 0.000 1.073 474 L CA 1.595 56.469 54.840 0.057 0.000 0.748 474 L CB -0.344 41.797 42.059 0.136 0.000 0.891 474 L HN -0.088 nan 8.230 nan 0.000 0.431 475 V N -0.472 119.477 119.914 0.057 0.000 2.407 475 V HA -0.264 3.856 4.120 0.000 0.000 0.248 475 V C 2.506 178.639 176.094 0.066 0.000 1.055 475 V CA 1.629 63.972 62.300 0.072 0.000 1.049 475 V CB -0.706 31.123 31.823 0.009 0.000 0.662 475 V HN 0.546 nan 8.190 nan 0.000 0.455 476 L N -0.428 120.790 121.223 -0.009 0.000 2.012 476 L HA -0.174 4.166 4.340 0.000 0.000 0.210 476 L C 2.193 179.067 176.870 0.007 0.000 1.073 476 L CA 2.033 56.860 54.840 -0.022 0.000 0.748 476 L CB -0.652 41.291 42.059 -0.194 0.000 0.891 476 L HN 0.160 nan 8.230 nan 0.000 0.431 477 L N -1.471 119.687 121.223 -0.108 0.000 2.046 477 L HA -0.212 4.128 4.340 0.000 0.000 0.208 477 L C 2.380 179.140 176.870 -0.183 0.000 1.077 477 L CA 1.771 56.473 54.840 -0.229 0.000 0.747 477 L CB -1.245 40.475 42.059 -0.565 0.000 0.896 477 L HN 0.293 nan 8.230 nan 0.000 0.432 478 Y N -0.802 119.482 120.300 -0.026 0.000 2.242 478 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 478 Y C 2.422 178.389 175.900 0.113 0.000 1.137 478 Y CA 1.106 59.230 58.100 0.040 0.000 1.181 478 Y CB -0.634 37.848 38.460 0.037 0.000 0.989 478 Y HN 0.164 nan 8.280 nan 0.000 0.527 479 A N 0.243 123.227 122.820 0.274 0.000 1.940 479 A HA -0.181 4.139 4.320 0.000 0.000 0.219 479 A C 2.243 180.116 177.584 0.483 0.000 1.176 479 A CA 1.715 53.965 52.037 0.356 0.000 0.631 479 A CB -0.917 18.257 19.000 0.289 0.000 0.814 479 A HN 0.438 nan 8.150 nan 0.000 0.446 480 I N -0.333 120.448 120.570 0.351 0.000 2.142 480 I HA -0.301 3.869 4.170 0.000 0.000 0.240 480 I C 3.019 179.252 176.117 0.193 0.000 1.078 480 I CA 1.451 62.924 61.300 0.287 0.000 1.343 480 I CB -0.963 37.112 38.000 0.125 0.000 1.046 480 I HN 0.397 nan 8.210 nan 0.000 0.405 481 A N 1.156 124.041 122.820 0.109 0.000 1.908 481 A HA -0.171 4.149 4.320 0.000 0.000 0.218 481 A C 2.296 179.985 177.584 0.174 0.000 1.181 481 A CA 1.386 53.479 52.037 0.094 0.000 0.627 481 A CB -0.888 18.144 19.000 0.052 0.000 0.818 481 A HN 0.418 nan 8.150 nan 0.000 0.445 482 L N -1.006 120.375 121.223 0.264 0.000 2.265 482 L HA -0.140 4.200 4.340 0.000 0.000 0.215 482 L C 2.737 179.746 176.870 0.231 0.000 1.117 482 L CA 0.845 55.859 54.840 0.290 0.000 0.782 482 L CB -0.326 41.968 42.059 0.391 0.000 0.914 482 L HN 0.432 nan 8.230 nan 0.000 0.441 483 A N -1.281 121.669 122.820 0.217 0.000 2.218 483 A HA 0.124 4.444 4.320 0.000 0.000 0.209 483 A C 1.227 178.769 177.584 -0.069 0.000 1.168 483 A CA 0.173 52.176 52.037 -0.058 0.000 0.804 483 A CB -0.092 18.915 19.000 0.012 0.000 0.834 483 A HN 0.112 nan 8.150 nan 0.000 0.482 484 M N 0.970 120.593 119.600 0.039 0.000 2.226 484 M HA 0.216 4.696 4.480 0.000 0.000 0.324 484 M C -2.454 173.880 176.300 0.058 0.000 1.112 484 M CA -2.442 52.898 55.300 0.067 0.000 1.176 484 M CB -0.177 32.489 32.600 0.110 0.000 1.430 484 M HN -0.002 nan 8.290 nan 0.000 0.462 485 P HA 0.377 nan 4.420 nan 0.000 0.284 485 P C 0.012 177.371 177.300 0.097 0.000 1.343 485 P CA 0.327 63.462 63.100 0.058 0.000 0.826 485 P CB 0.520 32.259 31.700 0.066 0.000 0.956 486 G N 2.194 111.002 108.800 0.013 0.000 2.292 486 G HA2 0.009 3.969 3.960 0.000 0.000 0.194 486 G HA3 0.009 3.969 3.960 0.000 0.000 0.194 486 G C -1.633 173.250 174.900 -0.028 0.000 1.329 486 G CA -0.573 44.539 45.100 0.021 0.000 1.100 486 G HN 0.293 nan 8.290 nan 0.000 0.470 487 V N 3.342 123.223 119.914 -0.054 0.000 2.328 487 V HA 0.554 4.674 4.120 0.000 0.000 0.278 487 V C -1.965 174.100 176.094 -0.048 0.000 1.021 487 V CA -1.135 61.079 62.300 -0.144 0.000 0.838 487 V CB 1.625 33.180 31.823 -0.448 0.000 0.999 487 V HN 0.574 nan 8.190 nan 0.000 0.447 488 P HA 0.266 nan 4.420 nan 0.000 0.287 488 P C -0.891 176.505 177.300 0.159 0.000 1.294 488 P CA -0.443 62.735 63.100 0.129 0.000 0.776 488 P CB 1.789 33.585 31.700 0.160 0.000 0.889 489 L N 5.853 127.204 121.223 0.215 0.000 2.277 489 L HA 0.384 4.724 4.340 0.000 0.000 0.284 489 L C -0.104 176.990 176.870 0.373 0.000 1.028 489 L CA -0.712 54.285 54.840 0.261 0.000 0.835 489 L CB 0.183 42.372 42.059 0.217 0.000 1.215 489 L HN 0.277 nan 8.230 nan 0.000 0.425 490 I N 4.792 125.575 120.570 0.354 0.000 2.496 490 I HA 0.043 4.213 4.170 0.000 0.000 0.285 490 I C -0.640 175.574 176.117 0.162 0.000 1.080 490 I CA -0.386 61.123 61.300 0.349 0.000 1.404 490 I CB 0.533 38.666 38.000 0.223 0.000 1.403 490 I HN 0.510 nan 8.210 nan 0.000 0.539 491 Y N 7.722 128.089 120.300 0.111 0.000 2.336 491 Y HA 0.219 4.769 4.550 -0.000 0.000 0.335 491 Y C 0.443 176.237 175.900 -0.176 0.000 1.046 491 Y CA -1.194 56.892 58.100 -0.024 0.000 1.198 491 Y CB 0.867 39.410 38.460 0.137 0.000 1.182 491 Y HN 0.499 nan 8.280 nan 0.000 0.502 492 M N 6.396 125.487 119.600 -0.849 0.000 2.301 492 M HA -0.019 4.461 4.480 0.000 0.000 0.404 492 M C 1.185 177.293 176.300 -0.320 0.000 1.497 492 M CA 2.343 57.240 55.300 -0.671 0.000 0.867 492 M CB -0.540 31.795 32.600 -0.442 0.000 2.037 492 M HN 1.109 nan 8.290 nan 0.000 0.496 493 G N 3.684 112.468 108.800 -0.027 0.000 2.241 493 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 493 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 493 G C 0.390 175.328 174.900 0.064 0.000 0.998 493 G CA 0.322 45.433 45.100 0.019 0.000 0.621 493 G HN 0.730 nan 8.290 nan 0.000 0.519 494 D N 1.226 121.668 120.400 0.069 0.000 2.178 494 D HA -0.031 4.609 4.640 0.000 0.000 0.201 494 D C 2.445 178.765 176.300 0.033 0.000 0.980 494 D CA 1.354 55.428 54.000 0.124 0.000 0.842 494 D CB -0.141 40.809 40.800 0.249 0.000 0.948 494 D HN 0.736 nan 8.370 nan 0.000 0.472 495 E N 0.676 120.894 120.200 0.031 0.000 2.409 495 E HA -0.140 4.210 4.350 0.000 0.000 0.198 495 E C 1.413 178.101 176.600 0.146 0.000 1.024 495 E CA 0.559 56.972 56.400 0.022 0.000 0.861 495 E CB -0.234 29.511 29.700 0.076 0.000 0.788 495 E HN 0.351 nan 8.360 nan 0.000 0.521 496 L N -0.106 121.204 121.223 0.145 0.000 2.906 496 L HA 0.402 4.742 4.340 0.000 0.000 0.255 496 L C 0.750 177.674 176.870 0.090 0.000 1.166 496 L CA 0.020 54.937 54.840 0.129 0.000 0.977 496 L CB 0.237 42.353 42.059 0.096 0.000 1.313 496 L HN 0.082 nan 8.230 nan 0.000 0.549 497 A N 0.729 123.605 122.820 0.094 0.000 2.687 497 A HA -0.246 4.074 4.320 0.000 0.000 0.299 497 A C 0.522 178.163 177.584 0.096 0.000 1.497 497 A CA 0.714 52.813 52.037 0.103 0.000 0.751 497 A CB -2.019 17.036 19.000 0.092 0.000 1.048 497 A HN 0.443 nan 8.150 nan 0.000 0.464 498 M N -0.194 119.458 119.600 0.087 0.000 2.245 498 M HA 0.349 4.829 4.480 0.000 0.000 0.344 498 M C 1.027 177.389 176.300 0.105 0.000 1.170 498 M CA 0.625 55.969 55.300 0.074 0.000 1.135 498 M CB 0.733 33.359 32.600 0.045 0.000 1.574 498 M HN 0.837 nan 8.290 nan 0.000 0.452 499 V N 0.620 120.593 119.914 0.098 0.000 3.438 499 V HA 0.516 4.636 4.120 0.000 0.000 0.298 499 V C 0.275 176.444 176.094 0.125 0.000 1.148 499 V CA -1.276 61.094 62.300 0.116 0.000 0.994 499 V CB 0.606 32.491 31.823 0.103 0.000 1.236 499 V HN 0.773 nan 8.190 nan 0.000 0.455 500 N N 1.435 120.216 118.700 0.134 0.000 2.344 500 N HA 0.154 4.894 4.740 0.000 0.000 0.236 500 N C -0.612 174.981 175.510 0.139 0.000 1.279 500 N CA 0.369 53.508 53.050 0.149 0.000 0.882 500 N CB -0.114 38.462 38.487 0.149 0.000 1.110 500 N HN 0.960 nan 8.380 nan 0.000 0.436 501 D N 0.109 120.610 120.400 0.168 0.000 2.408 501 D HA 0.258 4.898 4.640 0.000 0.000 0.261 501 D C -2.034 174.413 176.300 0.245 0.000 1.190 501 D CA -1.861 52.239 54.000 0.168 0.000 0.910 501 D CB 1.069 41.966 40.800 0.162 0.000 1.097 501 D HN 0.230 nan 8.370 nan 0.000 0.522 502 P HA 0.073 nan 4.420 nan 0.000 0.242 502 P C 1.336 178.621 177.300 -0.024 0.000 1.197 502 P CA 0.119 63.277 63.100 0.097 0.000 0.765 502 P CB 0.329 32.051 31.700 0.036 0.000 0.936 503 G N 0.915 109.744 108.800 0.048 0.000 2.462 503 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 503 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 503 G C 1.461 176.341 174.900 -0.034 0.000 1.121 503 G CA 0.703 45.798 45.100 -0.009 0.000 0.758 503 G HN 0.379 nan 8.290 nan 0.000 0.559 504 Y N 0.557 120.847 120.300 -0.017 0.000 2.274 504 Y HA 0.028 4.578 4.550 0.000 0.000 0.290 504 Y C 2.593 178.463 175.900 -0.050 0.000 1.145 504 Y CA 1.103 59.178 58.100 -0.042 0.000 1.203 504 Y CB -0.344 38.175 38.460 0.100 0.000 0.984 504 Y HN 0.074 nan 8.280 nan 0.000 0.533 505 R N 0.349 120.340 120.500 -0.849 0.000 2.285 505 R HA -0.089 4.251 4.340 0.000 0.000 0.213 505 R C 0.609 176.725 176.300 -0.307 0.000 1.068 505 R CA 1.444 57.153 56.100 -0.653 0.000 1.004 505 R CB -0.162 29.750 30.300 -0.645 0.000 0.873 505 R HN 0.495 nan 8.270 nan 0.000 0.467 506 D N -0.336 119.929 120.400 -0.226 0.000 2.388 506 D HA -0.048 4.592 4.640 0.000 0.000 0.208 506 D C 0.114 176.329 176.300 -0.141 0.000 1.035 506 D CA 0.314 54.223 54.000 -0.151 0.000 0.875 506 D CB 0.161 40.891 40.800 -0.116 0.000 0.984 506 D HN 0.039 nan 8.370 nan 0.000 0.508 507 D N 0.542 120.849 120.400 -0.155 0.000 2.425 507 D HA 0.001 4.641 4.640 0.000 0.000 0.247 507 D C -1.519 174.651 176.300 -0.217 0.000 1.147 507 D CA -1.611 52.271 54.000 -0.197 0.000 0.879 507 D CB 1.609 42.264 40.800 -0.241 0.000 1.179 507 D HN -0.155 nan 8.370 nan 0.000 0.456 508 P HA -0.199 nan 4.420 nan 0.000 0.211 508 P C -0.209 176.984 177.300 -0.178 0.000 0.906 508 P CA 1.886 64.835 63.100 -0.252 0.000 1.017 508 P CB -0.151 31.309 31.700 -0.401 0.000 0.717 509 H N -2.173 116.879 119.070 -0.031 0.000 2.553 509 H HA 0.505 5.061 4.556 0.000 0.000 0.222 509 H C 0.813 176.141 175.328 -0.001 0.000 1.779 509 H CA -0.318 55.736 56.048 0.009 0.000 1.241 509 H CB -0.221 29.541 29.762 0.001 0.000 1.647 509 H HN 0.076 nan 8.280 nan 0.000 0.523 510 R N -0.251 120.261 120.500 0.019 0.000 2.688 510 R HA 0.063 4.403 4.340 0.000 0.000 0.236 510 R C 0.297 176.772 176.300 0.293 0.000 0.981 510 R CA -0.206 55.922 56.100 0.046 0.000 1.139 510 R CB 0.697 30.801 30.300 -0.327 0.000 1.677 510 R HN 0.411 nan 8.270 nan 0.000 0.554 511 Q N 0.541 120.429 119.800 0.147 0.000 2.584 511 Q HA -0.058 4.282 4.340 0.000 0.000 0.235 511 Q C -0.239 175.854 176.000 0.156 0.000 1.079 511 Q CA 0.574 56.424 55.803 0.078 0.000 0.977 511 Q CB 0.384 28.946 28.738 -0.293 0.000 1.293 511 Q HN 0.280 nan 8.270 nan 0.000 0.553 512 H N -1.118 118.154 119.070 0.336 0.000 3.882 512 H HA -0.164 4.392 4.556 -0.000 0.000 0.165 512 H C -0.640 174.877 175.328 0.315 0.000 0.896 512 H CA 1.366 57.578 56.048 0.274 0.000 1.243 512 H CB -0.804 29.078 29.762 0.201 0.000 0.958 512 H HN 0.571 nan 8.280 nan 0.000 0.400 513 E N 1.537 122.016 120.200 0.466 0.000 2.916 513 E HA 0.466 4.816 4.350 0.000 0.000 0.217 513 E C 1.457 178.111 176.600 0.090 0.000 1.100 513 E CA 0.314 56.924 56.400 0.349 0.000 0.891 513 E CB 0.104 30.055 29.700 0.419 0.000 1.311 513 E HN 0.338 nan 8.360 nan 0.000 0.421 514 G N 2.851 111.739 108.800 0.147 0.000 2.517 514 G HA2 -0.324 3.636 3.960 0.000 0.000 0.222 514 G HA3 -0.324 3.636 3.960 0.000 0.000 0.222 514 G C 1.348 175.890 174.900 -0.597 0.000 1.109 514 G CA 0.615 45.627 45.100 -0.146 0.000 0.746 514 G HN 0.465 nan 8.290 nan 0.000 0.576 515 R N -0.932 119.134 120.500 -0.724 0.000 2.241 515 R HA -0.078 4.262 4.340 0.000 0.000 0.224 515 R C 2.073 177.678 176.300 -1.158 0.000 1.101 515 R CA 0.892 56.370 56.100 -1.036 0.000 0.995 515 R CB -0.287 29.477 30.300 -0.893 0.000 0.870 515 R HN 0.603 nan 8.270 nan 0.000 0.463 516 W N 0.419 121.291 121.300 -0.714 0.000 2.468 516 W HA -0.111 4.549 4.660 0.000 0.000 0.262 516 W C 1.810 178.046 176.519 -0.471 0.000 1.241 516 W CA -0.030 57.000 57.345 -0.525 0.000 1.232 516 W CB -0.175 29.052 29.460 -0.390 0.000 1.124 516 W HN 0.119 nan 8.180 nan 0.000 0.597 517 L N 0.847 121.761 121.223 -0.516 0.000 2.081 517 L HA -0.231 4.109 4.340 0.000 0.000 0.212 517 L C 2.115 178.985 176.870 -0.000 0.000 1.080 517 L CA 1.971 56.745 54.840 -0.109 0.000 0.754 517 L CB -0.688 41.344 42.059 -0.046 0.000 0.893 517 L HN 0.274 nan 8.230 nan 0.000 0.433 518 H N -2.118 116.969 119.070 0.028 0.000 2.472 518 H HA 0.378 4.934 4.556 0.000 0.000 0.287 518 H C -0.020 175.459 175.328 0.251 0.000 1.112 518 H CA -0.431 55.697 56.048 0.134 0.000 1.021 518 H CB -0.093 29.727 29.762 0.098 0.000 1.635 518 H HN 0.326 nan 8.280 nan 0.000 0.559 519 R N 2.112 122.718 120.500 0.178 0.000 2.881 519 R HA 0.244 4.584 4.340 0.000 0.000 0.331 519 R C -2.735 173.736 176.300 0.285 0.000 1.207 519 R CA -1.460 54.831 56.100 0.319 0.000 1.265 519 R CB 1.012 31.450 30.300 0.229 0.000 1.351 519 R HN 0.335 nan 8.270 nan 0.000 0.613 520 P HA 0.077 nan 4.420 nan 0.000 0.272 520 P C -0.365 177.003 177.300 0.114 0.000 1.240 520 P CA -0.144 63.040 63.100 0.140 0.000 0.791 520 P CB 0.985 32.747 31.700 0.103 0.000 0.978 521 A N 2.516 125.381 122.820 0.074 0.000 2.354 521 A HA 0.387 4.707 4.320 0.000 0.000 0.269 521 A C 0.525 178.108 177.584 -0.002 0.000 1.109 521 A CA -0.476 51.597 52.037 0.060 0.000 0.800 521 A CB -0.267 18.758 19.000 0.042 0.000 1.045 521 A HN 0.626 nan 8.150 nan 0.000 0.489 522 M N 2.094 121.669 119.600 -0.042 0.000 2.260 522 M HA 0.041 4.521 4.480 0.000 0.000 0.348 522 M C -0.208 175.855 176.300 -0.395 0.000 1.342 522 M CA 0.233 55.364 55.300 -0.282 0.000 1.040 522 M CB 0.058 32.351 32.600 -0.512 0.000 1.810 522 M HN 0.611 nan 8.290 nan 0.000 0.453 523 D N 4.500 124.665 120.400 -0.391 0.000 2.456 523 D HA 0.090 4.730 4.640 0.000 0.000 0.219 523 D C -0.157 175.917 176.300 -0.377 0.000 1.126 523 D CA 0.073 53.916 54.000 -0.261 0.000 0.890 523 D CB 0.059 40.781 40.800 -0.130 0.000 1.025 523 D HN 0.780 nan 8.370 nan 0.000 0.511 524 W N 2.102 123.334 121.300 -0.112 0.000 2.699 524 W HA -0.064 4.596 4.660 0.000 0.000 0.249 524 W C 1.954 178.417 176.519 -0.094 0.000 1.280 524 W CA -0.149 57.105 57.345 -0.150 0.000 1.345 524 W CB 0.351 29.706 29.460 -0.175 0.000 1.128 524 W HN 0.408 nan 8.180 nan 0.000 0.642 525 Q N -0.340 119.512 119.800 0.087 0.000 2.062 525 Q HA -0.101 4.239 4.340 0.000 0.000 0.196 525 Q C 2.174 178.187 176.000 0.022 0.000 0.967 525 Q CA 0.938 56.778 55.803 0.060 0.000 0.832 525 Q CB -0.965 27.798 28.738 0.041 0.000 0.899 525 Q HN 0.138 nan 8.270 nan 0.000 0.442 526 L N 0.442 121.656 121.223 -0.015 0.000 2.042 526 L HA -0.150 4.190 4.340 0.000 0.000 0.210 526 L C 2.030 178.874 176.870 -0.043 0.000 1.076 526 L CA 2.025 56.849 54.840 -0.028 0.000 0.749 526 L CB -1.104 40.930 42.059 -0.043 0.000 0.893 526 L HN 0.245 nan 8.230 nan 0.000 0.432 527 A N -1.103 121.672 122.820 -0.075 0.000 1.972 527 A HA -0.142 4.178 4.320 0.000 0.000 0.219 527 A C 2.433 179.994 177.584 -0.038 0.000 1.169 527 A CA 1.667 53.670 52.037 -0.057 0.000 0.635 527 A CB -0.877 18.016 19.000 -0.178 0.000 0.810 527 A HN 0.455 nan 8.150 nan 0.000 0.446 528 A N -0.710 122.120 122.820 0.016 0.000 1.969 528 A HA -0.174 4.146 4.320 0.000 0.000 0.218 528 A C 2.012 179.567 177.584 -0.048 0.000 1.169 528 A CA 1.500 53.557 52.037 0.032 0.000 0.635 528 A CB -0.477 18.581 19.000 0.098 0.000 0.810 528 A HN 0.649 nan 8.150 nan 0.000 0.445 529 Q N -0.645 119.124 119.800 -0.052 0.000 2.437 529 Q HA -0.138 4.202 4.340 0.000 0.000 0.210 529 Q C 2.026 177.946 176.000 -0.133 0.000 0.972 529 Q CA 0.955 56.730 55.803 -0.046 0.000 0.903 529 Q CB -0.239 28.491 28.738 -0.014 0.000 0.967 529 Q HN 0.807 nan 8.270 nan 0.000 0.486 530 R N 0.425 120.741 120.500 -0.308 0.000 2.211 530 R HA -0.216 4.124 4.340 0.000 0.000 0.240 530 R C 1.150 177.206 176.300 -0.407 0.000 1.144 530 R CA 1.589 57.411 56.100 -0.464 0.000 0.992 530 R CB -0.239 29.527 30.300 -0.889 0.000 0.869 530 R HN 0.415 nan 8.270 nan 0.000 0.462 531 H N 0.042 119.043 119.070 -0.116 0.000 2.403 531 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 531 H C 0.151 175.466 175.328 -0.023 0.000 1.059 531 H CA 0.833 56.842 56.048 -0.065 0.000 1.363 531 H CB -0.483 29.254 29.762 -0.040 0.000 1.410 531 H HN 0.262 nan 8.280 nan 0.000 0.528 532 D N 1.378 121.827 120.400 0.082 0.000 2.398 532 D HA 0.137 4.777 4.640 0.000 0.000 0.250 532 D C 1.125 177.450 176.300 0.042 0.000 1.287 532 D CA 0.065 54.100 54.000 0.058 0.000 0.992 532 D CB 0.286 41.115 40.800 0.048 0.000 1.071 532 D HN 0.209 nan 8.370 nan 0.000 0.514 533 A N 4.118 126.967 122.820 0.048 0.000 2.186 533 A HA -0.180 4.140 4.320 0.000 0.000 0.219 533 A C 1.967 179.573 177.584 0.037 0.000 1.159 533 A CA 1.148 53.212 52.037 0.046 0.000 0.680 533 A CB -0.158 18.870 19.000 0.046 0.000 0.787 533 A HN 0.386 nan 8.150 nan 0.000 0.467 534 K N 0.657 121.077 120.400 0.034 0.000 2.356 534 K HA 0.058 4.378 4.320 0.000 0.000 0.195 534 K C 1.043 177.660 176.600 0.029 0.000 1.037 534 K CA 0.727 57.031 56.287 0.029 0.000 1.014 534 K CB -0.224 32.291 32.500 0.026 0.000 0.815 534 K HN 0.491 nan 8.250 nan 0.000 0.507 535 S N -0.152 115.566 115.700 0.030 0.000 2.600 535 S HA 0.056 4.526 4.470 0.000 0.000 0.265 535 S C 1.233 175.853 174.600 0.033 0.000 1.325 535 S CA -0.474 57.743 58.200 0.029 0.000 1.002 535 S CB 0.792 64.007 63.200 0.024 0.000 0.921 535 S HN 0.163 nan 8.310 nan 0.000 0.554 536 L N 1.841 123.084 121.223 0.034 0.000 2.005 536 L HA 0.013 4.353 4.340 0.000 0.000 0.207 536 L C 2.491 179.391 176.870 0.049 0.000 1.072 536 L CA 2.076 56.940 54.840 0.040 0.000 0.744 536 L CB -1.376 40.707 42.059 0.040 0.000 0.895 536 L HN 0.843 nan 8.230 nan 0.000 0.433 537 S N -0.016 115.712 115.700 0.047 0.000 2.370 537 S HA -0.121 4.349 4.470 0.000 0.000 0.226 537 S C 1.870 176.518 174.600 0.079 0.000 1.033 537 S CA 1.182 59.418 58.200 0.060 0.000 1.011 537 S CB -1.068 62.153 63.200 0.035 0.000 0.852 537 S HN 0.714 nan 8.310 nan 0.000 0.457 538 G N 0.798 109.624 108.800 0.044 0.000 2.422 538 G HA2 -0.148 3.813 3.960 0.000 0.000 0.218 538 G HA3 -0.148 3.813 3.960 0.000 0.000 0.218 538 G C 1.412 176.367 174.900 0.092 0.000 1.140 538 G CA 1.350 46.478 45.100 0.047 0.000 0.775 538 G HN 0.480 nan 8.290 nan 0.000 0.545 539 T N 0.655 115.251 114.554 0.070 0.000 2.770 539 T HA -0.068 4.282 4.350 0.000 0.000 0.263 539 T C 2.572 177.310 174.700 0.064 0.000 1.039 539 T CA 1.105 63.241 62.100 0.060 0.000 1.142 539 T CB -0.180 68.713 68.868 0.041 0.000 0.868 539 T HN 0.056 nan 8.240 nan 0.000 0.435 540 V N 0.480 120.437 119.914 0.071 0.000 2.307 540 V HA -0.158 3.962 4.120 0.000 0.000 0.245 540 V C 2.023 178.152 176.094 0.058 0.000 1.045 540 V CA 1.556 63.888 62.300 0.054 0.000 1.024 540 V CB -0.700 31.159 31.823 0.059 0.000 0.651 540 V HN 0.481 nan 8.190 nan 0.000 0.449 541 Y N 1.054 121.344 120.300 -0.016 0.000 2.128 541 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 541 Y C 2.838 178.720 175.900 -0.030 0.000 1.154 541 Y CA 2.365 60.450 58.100 -0.026 0.000 1.149 541 Y CB -0.241 38.207 38.460 -0.021 0.000 0.976 541 Y HN 0.037 nan 8.280 nan 0.000 0.505 542 R N 0.120 120.736 120.500 0.193 0.000 2.073 542 R HA -0.163 4.177 4.340 0.000 0.000 0.234 542 R C 2.343 178.639 176.300 -0.007 0.000 1.134 542 R CA 1.494 57.657 56.100 0.105 0.000 0.952 542 R CB -0.117 30.245 30.300 0.103 0.000 0.850 542 R HN 0.296 nan 8.270 nan 0.000 0.433 543 R N 0.515 121.004 120.500 -0.019 0.000 2.081 543 R HA -0.125 4.215 4.340 0.000 0.000 0.235 543 R C 2.413 178.652 176.300 -0.102 0.000 1.131 543 R CA 1.152 57.219 56.100 -0.056 0.000 0.960 543 R CB -0.698 29.577 30.300 -0.041 0.000 0.856 543 R HN 0.334 nan 8.270 nan 0.000 0.436 544 L N 0.138 121.281 121.223 -0.133 0.000 2.027 544 L HA -0.141 4.199 4.340 0.000 0.000 0.206 544 L C 2.721 179.477 176.870 -0.191 0.000 1.074 544 L CA 1.187 55.920 54.840 -0.179 0.000 0.745 544 L CB -0.405 41.494 42.059 -0.267 0.000 0.898 544 L HN 0.073 nan 8.230 nan 0.000 0.433 545 R N 0.627 120.978 120.500 -0.249 0.000 2.105 545 R HA -0.130 4.210 4.340 0.000 0.000 0.239 545 R C 2.160 178.402 176.300 -0.096 0.000 1.135 545 R CA 1.540 57.519 56.100 -0.202 0.000 0.967 545 R CB -0.942 29.241 30.300 -0.195 0.000 0.861 545 R HN 0.351 nan 8.270 nan 0.000 0.442 546 G N -0.063 108.683 108.800 -0.089 0.000 2.422 546 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 546 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 546 G C 1.382 176.215 174.900 -0.110 0.000 1.146 546 G CA 0.853 45.907 45.100 -0.076 0.000 0.769 546 G HN 0.317 nan 8.290 nan 0.000 0.547 547 L N -0.018 121.107 121.223 -0.164 0.000 2.056 547 L HA 0.060 4.400 4.340 0.000 0.000 0.207 547 L C 2.822 179.682 176.870 -0.016 0.000 1.078 547 L CA 0.530 55.227 54.840 -0.239 0.000 0.749 547 L CB -0.309 41.604 42.059 -0.244 0.000 0.901 547 L HN 0.172 nan 8.230 nan 0.000 0.433 548 I N -0.499 120.073 120.570 0.004 0.000 2.163 548 I HA -0.331 3.839 4.170 0.000 0.000 0.243 548 I C 2.839 179.003 176.117 0.080 0.000 1.085 548 I CA 1.292 62.627 61.300 0.057 0.000 1.347 548 I CB -0.295 37.706 38.000 0.001 0.000 1.044 548 I HN 0.210 nan 8.210 nan 0.000 0.408 549 R N 0.383 120.911 120.500 0.047 0.000 2.073 549 R HA -0.257 4.083 4.340 0.000 0.000 0.234 549 R C 2.400 178.763 176.300 0.106 0.000 1.134 549 R CA 1.792 57.931 56.100 0.064 0.000 0.952 549 R CB -0.160 30.163 30.300 0.040 0.000 0.850 549 R HN 0.211 nan 8.270 nan 0.000 0.433 550 Q N 0.562 120.440 119.800 0.130 0.000 2.079 550 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 550 Q C 1.985 178.173 176.000 0.314 0.000 0.974 550 Q CA 1.774 57.716 55.803 0.231 0.000 0.840 550 Q CB -0.229 28.668 28.738 0.266 0.000 0.898 550 Q HN 0.223 nan 8.270 nan 0.000 0.430 551 R N -0.460 120.264 120.500 0.373 0.000 2.094 551 R HA -0.172 4.168 4.340 0.000 0.000 0.239 551 R C 1.967 178.330 176.300 0.105 0.000 1.137 551 R CA 1.682 57.933 56.100 0.252 0.000 0.943 551 R CB -0.613 29.838 30.300 0.251 0.000 0.850 551 R HN 0.311 nan 8.270 nan 0.000 0.433 552 A N 0.319 123.210 122.820 0.118 0.000 2.076 552 A HA -0.079 4.241 4.320 0.000 0.000 0.220 552 A C 2.067 179.704 177.584 0.089 0.000 1.160 552 A CA 1.705 53.806 52.037 0.105 0.000 0.653 552 A CB -0.450 18.624 19.000 0.124 0.000 0.801 552 A HN 0.573 nan 8.150 nan 0.000 0.455 553 A N -1.200 121.674 122.820 0.090 0.000 2.308 553 A HA 0.522 4.842 4.320 0.000 0.000 0.217 553 A C 0.547 178.158 177.584 0.046 0.000 1.216 553 A CA -0.174 51.907 52.037 0.075 0.000 0.864 553 A CB -0.111 18.944 19.000 0.092 0.000 0.902 553 A HN 0.348 nan 8.150 nan 0.000 0.499 554 L N 0.192 121.422 121.223 0.013 0.000 2.297 554 L HA 0.330 4.670 4.340 0.000 0.000 0.277 554 L C 1.556 178.367 176.870 -0.098 0.000 1.040 554 L CA -0.525 54.282 54.840 -0.055 0.000 0.867 554 L CB 1.267 43.240 42.059 -0.143 0.000 1.244 554 L HN 0.325 nan 8.230 nan 0.000 0.433 555 G N 1.746 110.506 108.800 -0.067 0.000 2.479 555 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 555 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 555 G C 1.512 176.344 174.900 -0.113 0.000 1.115 555 G CA 0.924 45.982 45.100 -0.071 0.000 0.757 555 G HN 0.724 nan 8.290 nan 0.000 0.560 556 A N -0.003 122.731 122.820 -0.142 0.000 2.125 556 A HA 0.165 4.485 4.320 0.000 0.000 0.219 556 A C 2.048 179.476 177.584 -0.260 0.000 1.156 556 A CA 0.881 52.817 52.037 -0.169 0.000 0.671 556 A CB -0.150 18.765 19.000 -0.142 0.000 0.794 556 A HN 0.308 nan 8.150 nan 0.000 0.459 557 L N -0.724 120.307 121.223 -0.320 0.000 2.591 557 L HA 0.283 4.623 4.340 0.000 0.000 0.228 557 L C 1.490 178.232 176.870 -0.214 0.000 1.133 557 L CA 0.447 55.078 54.840 -0.348 0.000 0.880 557 L CB -0.759 41.041 42.059 -0.432 0.000 1.033 557 L HN 0.325 nan 8.230 nan 0.000 0.450 558 A N -0.405 122.312 122.820 -0.171 0.000 2.520 558 A HA 0.336 4.656 4.320 0.000 0.000 0.235 558 A C 1.684 179.176 177.584 -0.153 0.000 1.065 558 A CA 0.564 52.509 52.037 -0.154 0.000 0.764 558 A CB 0.188 19.113 19.000 -0.124 0.000 1.002 558 A HN 0.357 nan 8.150 nan 0.000 0.502 559 A N 1.205 123.919 122.820 -0.177 0.000 2.125 559 A HA -0.108 4.212 4.320 0.000 0.000 0.219 559 A C 1.351 178.833 177.584 -0.170 0.000 1.156 559 A CA 1.821 53.755 52.037 -0.172 0.000 0.671 559 A CB -0.501 18.358 19.000 -0.235 0.000 0.794 559 A HN 0.895 nan 8.150 nan 0.000 0.459 560 D N -1.047 119.255 120.400 -0.163 0.000 2.339 560 D HA 0.002 4.642 4.640 0.000 0.000 0.217 560 D C 0.317 176.546 176.300 -0.119 0.000 1.050 560 D CA 0.111 54.019 54.000 -0.153 0.000 0.856 560 D CB -0.210 40.502 40.800 -0.146 0.000 0.922 560 D HN 0.276 nan 8.370 nan 0.000 0.518 561 Q N 0.708 120.445 119.800 -0.106 0.000 2.230 561 Q HA 0.563 4.903 4.340 0.000 0.000 0.248 561 Q C -0.010 175.951 176.000 -0.066 0.000 0.915 561 Q CA -0.607 55.144 55.803 -0.086 0.000 0.900 561 Q CB 1.687 30.367 28.738 -0.096 0.000 1.229 561 Q HN 0.232 nan 8.270 nan 0.000 0.439 562 A N 1.913 124.705 122.820 -0.047 0.000 2.448 562 A HA 0.319 4.639 4.320 0.000 0.000 0.239 562 A C -0.425 177.160 177.584 0.001 0.000 1.080 562 A CA -0.190 51.835 52.037 -0.020 0.000 0.779 562 A CB 0.160 19.151 19.000 -0.015 0.000 1.026 562 A HN 0.557 nan 8.150 nan 0.000 0.499 563 L N 0.908 122.152 121.223 0.034 0.000 2.385 563 L HA 0.856 5.196 4.340 0.000 0.000 0.273 563 L C -0.138 176.771 176.870 0.066 0.000 0.990 563 L CA 0.484 55.362 54.840 0.064 0.000 0.821 563 L CB 1.521 43.653 42.059 0.120 0.000 1.279 563 L HN 1.338 nan 8.230 nan 0.000 0.412 564 A N 2.825 125.682 122.820 0.062 0.000 2.515 564 A HA 0.883 5.203 4.320 0.000 0.000 0.299 564 A C -1.414 176.215 177.584 0.075 0.000 1.179 564 A CA -0.162 51.910 52.037 0.059 0.000 0.656 564 A CB 1.416 20.439 19.000 0.039 0.000 1.306 564 A HN 0.856 nan 8.150 nan 0.000 0.459 565 S N -0.446 115.316 115.700 0.104 0.000 2.572 565 S HA 0.629 5.099 4.470 0.000 0.000 0.274 565 S C -1.264 173.487 174.600 0.253 0.000 1.150 565 S CA -0.478 57.834 58.200 0.186 0.000 0.944 565 S CB 0.545 63.970 63.200 0.374 0.000 1.071 565 S HN 0.659 nan 8.310 nan 0.000 0.479 566 I N 3.859 124.513 120.570 0.141 0.000 2.371 566 I HA 0.396 4.566 4.170 0.000 0.000 0.290 566 I C 0.849 176.936 176.117 -0.050 0.000 1.028 566 I CA -0.471 60.870 61.300 0.067 0.000 1.345 566 I CB 1.247 39.243 38.000 -0.006 0.000 1.407 566 I HN 0.780 nan 8.210 nan 0.000 0.501 567 A N 7.703 130.429 122.820 -0.157 0.000 2.491 567 A HA 0.454 4.774 4.320 0.000 0.000 0.261 567 A C -0.584 176.856 177.584 -0.239 0.000 1.101 567 A CA -0.049 51.693 52.037 -0.492 0.000 0.772 567 A CB -0.048 18.804 19.000 -0.245 0.000 1.043 567 A HN 0.487 nan 8.150 nan 0.000 0.501 568 L N 2.528 123.612 121.223 -0.231 0.000 2.346 568 L HA 0.355 4.695 4.340 0.000 0.000 0.276 568 L C 0.971 177.796 176.870 -0.075 0.000 1.006 568 L CA -0.312 54.468 54.840 -0.099 0.000 0.817 568 L CB 1.595 43.626 42.059 -0.046 0.000 1.272 568 L HN 0.855 nan 8.230 nan 0.000 0.421 569 N N -0.389 118.285 118.700 -0.043 0.000 2.467 569 N HA -0.053 4.687 4.740 0.000 0.000 0.184 569 N C 0.018 175.521 175.510 -0.012 0.000 1.106 569 N CA 0.065 53.099 53.050 -0.026 0.000 0.892 569 N CB -0.076 38.401 38.487 -0.017 0.000 0.969 569 N HN 0.452 nan 8.380 nan 0.000 0.454 570 D N 0.671 121.067 120.400 -0.006 0.000 2.347 570 D HA 0.192 4.832 4.640 0.000 0.000 0.235 570 D C -1.724 174.586 176.300 0.017 0.000 1.149 570 D CA -2.267 51.737 54.000 0.007 0.000 0.850 570 D CB 1.541 42.348 40.800 0.012 0.000 1.061 570 D HN -0.023 nan 8.370 nan 0.000 0.487 571 P HA -0.017 nan 4.420 nan 0.000 0.225 571 P C 0.886 178.205 177.300 0.032 0.000 1.148 571 P CA 0.768 63.878 63.100 0.017 0.000 0.779 571 P CB 0.290 31.995 31.700 0.007 0.000 0.780 572 R N -1.151 119.377 120.500 0.047 0.000 2.275 572 R HA 0.103 4.443 4.340 0.000 0.000 0.199 572 R C 0.301 176.696 176.300 0.158 0.000 0.989 572 R CA 0.276 56.425 56.100 0.082 0.000 1.016 572 R CB -0.073 30.255 30.300 0.047 0.000 0.918 572 R HN 0.112 nan 8.270 nan 0.000 0.473 573 V N 0.795 120.796 119.914 0.146 0.000 2.732 573 V HA 0.346 4.466 4.120 0.000 0.000 0.310 573 V C -0.819 175.455 176.094 0.300 0.000 1.053 573 V CA -0.868 61.562 62.300 0.217 0.000 0.957 573 V CB 1.820 33.719 31.823 0.127 0.000 1.018 573 V HN -0.050 nan 8.190 nan 0.000 0.452 574 F N 2.996 123.068 119.950 0.204 0.000 2.536 574 F HA 0.806 5.333 4.527 0.000 0.000 0.322 574 F C -0.192 175.781 175.800 0.287 0.000 1.144 574 F CA -1.221 56.886 58.000 0.178 0.000 0.924 574 F CB 1.278 40.328 39.000 0.083 0.000 1.181 574 F HN 0.576 nan 8.300 nan 0.000 0.438 575 A N 7.391 130.101 122.820 -0.182 0.000 2.273 575 A HA 0.669 4.989 4.320 0.000 0.000 0.315 575 A C -1.962 175.312 177.584 -0.516 0.000 1.256 575 A CA -0.645 51.221 52.037 -0.285 0.000 0.851 575 A CB 0.804 19.741 19.000 -0.106 0.000 1.172 575 A HN 0.750 nan 8.150 nan 0.000 0.508 576 L N 3.888 124.768 121.223 -0.571 0.000 2.307 576 L HA 0.786 5.126 4.340 0.000 0.000 0.284 576 L C -0.003 176.791 176.870 -0.127 0.000 1.023 576 L CA 0.259 54.874 54.840 -0.374 0.000 0.810 576 L CB 1.311 43.186 42.059 -0.307 0.000 1.231 576 L HN 0.814 nan 8.230 nan 0.000 0.423 577 T N 3.083 117.619 114.554 -0.029 0.000 2.885 577 T HA 0.756 5.106 4.350 0.000 0.000 0.285 577 T C -0.261 174.493 174.700 0.090 0.000 1.019 577 T CA -0.911 61.206 62.100 0.029 0.000 1.010 577 T CB 2.060 70.926 68.868 -0.003 0.000 1.022 577 T HN 0.586 nan 8.240 nan 0.000 0.466 578 R N 1.351 121.945 120.500 0.157 0.000 2.532 578 R HA 0.685 5.025 4.340 0.000 0.000 0.297 578 R C 0.973 177.284 176.300 0.018 0.000 0.984 578 R CA 0.147 56.271 56.100 0.040 0.000 0.884 578 R CB 0.971 31.198 30.300 -0.122 0.000 1.182 578 R HN 1.332 nan 8.270 nan 0.000 0.442 579 G N 3.125 111.914 108.800 -0.018 0.000 2.574 579 G HA2 -0.400 3.560 3.960 0.000 0.000 0.282 579 G HA3 -0.400 3.560 3.960 0.000 0.000 0.282 579 G C 0.009 174.903 174.900 -0.009 0.000 1.257 579 G CA 0.757 45.842 45.100 -0.026 0.000 0.956 579 G HN 0.703 nan 8.290 nan 0.000 0.560 580 D N -1.430 118.960 120.400 -0.017 0.000 2.433 580 D HA 0.323 4.963 4.640 0.000 0.000 0.211 580 D C 1.730 178.017 176.300 -0.022 0.000 1.114 580 D CA 1.167 55.156 54.000 -0.018 0.000 0.837 580 D CB 0.203 40.989 40.800 -0.024 0.000 0.984 580 D HN 0.907 nan 8.370 nan 0.000 0.505 581 S N -1.306 114.388 115.700 -0.011 0.000 2.559 581 S HA 0.253 4.723 4.470 0.000 0.000 0.226 581 S C 0.031 174.643 174.600 0.020 0.000 1.030 581 S CA -0.830 57.356 58.200 -0.024 0.000 0.956 581 S CB -0.247 62.921 63.200 -0.054 0.000 0.900 581 S HN 0.191 nan 8.310 nan 0.000 0.510 582 F N 2.453 122.324 119.950 -0.133 0.000 2.495 582 F HA 0.754 5.282 4.527 0.000 0.000 0.327 582 F C -1.320 174.382 175.800 -0.164 0.000 1.103 582 F CA -1.357 56.545 58.000 -0.163 0.000 0.949 582 F CB 1.250 40.119 39.000 -0.218 0.000 1.142 582 F HN -0.023 nan 8.300 nan 0.000 0.457 583 I N 5.124 125.143 120.570 -0.919 0.000 2.569 583 I HA 0.503 4.673 4.170 0.000 0.000 0.290 583 I C -0.921 174.600 176.117 -0.993 0.000 1.088 583 I CA -0.843 60.048 61.300 -0.681 0.000 1.047 583 I CB 1.305 39.096 38.000 -0.349 0.000 1.237 583 I HN 0.755 nan 8.210 nan 0.000 0.421 584 A N 7.564 129.976 122.820 -0.680 0.000 2.304 584 A HA 0.810 5.130 4.320 0.000 0.000 0.314 584 A C -0.861 176.474 177.584 -0.414 0.000 1.187 584 A CA -0.486 51.256 52.037 -0.491 0.000 0.810 584 A CB 1.054 19.903 19.000 -0.251 0.000 1.183 584 A HN 0.676 nan 8.150 nan 0.000 0.487 585 L N 3.885 124.879 121.223 -0.382 0.000 2.309 585 L HA 0.510 4.850 4.340 0.000 0.000 0.282 585 L C -0.424 176.247 176.870 -0.332 0.000 1.036 585 L CA -0.516 54.169 54.840 -0.258 0.000 0.806 585 L CB 1.239 43.224 42.059 -0.124 0.000 1.220 585 L HN 0.718 nan 8.230 nan 0.000 0.429 586 H N 2.465 121.613 119.070 0.130 0.000 2.667 586 H HA 0.204 4.760 4.556 -0.000 0.000 0.353 586 H C -1.135 174.336 175.328 0.238 0.000 1.072 586 H CA -0.615 55.570 56.048 0.228 0.000 1.214 586 H CB 2.392 32.459 29.762 0.508 0.000 1.600 586 H HN 0.568 nan 8.280 nan 0.000 0.527 587 N N 2.921 121.739 118.700 0.197 0.000 2.501 587 N HA 0.113 4.853 4.740 0.000 0.000 0.245 587 N C -0.374 175.148 175.510 0.020 0.000 0.974 587 N CA -0.397 52.717 53.050 0.107 0.000 0.941 587 N CB 0.511 38.990 38.487 -0.013 0.000 1.122 587 N HN 0.335 nan 8.380 nan 0.000 0.507 588 F N 1.677 121.675 119.950 0.079 0.000 2.731 588 F HA 0.099 4.626 4.527 -0.000 0.000 0.304 588 F C 1.257 177.054 175.800 -0.006 0.000 1.133 588 F CA -0.180 57.884 58.000 0.107 0.000 1.380 588 F CB -0.034 39.017 39.000 0.086 0.000 1.079 588 F HN 0.318 nan 8.300 nan 0.000 0.550 589 S N -1.418 114.193 115.700 -0.149 0.000 2.739 589 S HA 0.329 4.799 4.470 0.000 0.000 0.306 589 S C 0.279 174.402 174.600 -0.796 0.000 1.115 589 S CA -0.574 57.453 58.200 -0.289 0.000 0.985 589 S CB 1.520 64.648 63.200 -0.120 0.000 1.133 589 S HN 0.146 nan 8.310 nan 0.000 0.541 590 D N -0.396 119.679 120.400 -0.542 0.000 2.336 590 D HA 0.151 4.791 4.640 0.000 0.000 0.228 590 D C -0.037 176.130 176.300 -0.222 0.000 1.120 590 D CA -0.056 53.659 54.000 -0.474 0.000 0.839 590 D CB -0.102 40.659 40.800 -0.065 0.000 0.932 590 D HN 0.328 nan 8.370 nan 0.000 0.509 591 Q N 0.450 120.130 119.800 -0.199 0.000 2.306 591 Q HA 0.363 4.703 4.340 0.000 0.000 0.265 591 Q C -0.432 175.511 176.000 -0.095 0.000 1.022 591 Q CA -1.168 54.572 55.803 -0.105 0.000 0.853 591 Q CB 2.692 31.390 28.738 -0.068 0.000 1.327 591 Q HN 0.259 nan 8.270 nan 0.000 0.449 592 L N 3.320 124.508 121.223 -0.059 0.000 2.410 592 L HA 0.291 4.631 4.340 0.000 0.000 0.273 592 L C -1.020 175.828 176.870 -0.036 0.000 1.152 592 L CA 0.072 54.886 54.840 -0.044 0.000 0.855 592 L CB 0.100 42.143 42.059 -0.027 0.000 1.129 592 L HN 0.566 nan 8.230 nan 0.000 0.463 593 L N 2.093 123.297 121.223 -0.031 0.000 2.510 593 L HA 0.825 5.165 4.340 0.000 0.000 0.252 593 L C -1.487 175.374 176.870 -0.014 0.000 1.091 593 L CA -0.781 54.047 54.840 -0.020 0.000 0.888 593 L CB 1.567 43.615 42.059 -0.018 0.000 1.507 593 L HN 0.688 nan 8.230 nan 0.000 0.407 594 D N -0.618 119.777 120.400 -0.009 0.000 2.581 594 D HA 0.612 5.252 4.640 0.000 0.000 0.232 594 D C -1.426 174.870 176.300 -0.006 0.000 1.143 594 D CA -0.488 53.507 54.000 -0.008 0.000 0.881 594 D CB 2.425 43.220 40.800 -0.009 0.000 1.500 594 D HN 0.472 nan 8.370 nan 0.000 0.458 595 V N 0.733 120.642 119.914 -0.008 0.000 2.444 595 V HA 0.291 4.411 4.120 0.000 0.000 0.294 595 V C 0.107 176.194 176.094 -0.012 0.000 1.022 595 V CA -0.861 61.434 62.300 -0.009 0.000 0.850 595 V CB 1.277 33.093 31.823 -0.011 0.000 0.992 595 V HN 0.658 nan 8.190 nan 0.000 0.426 596 E N 3.434 123.627 120.200 -0.011 0.000 2.316 596 E HA 0.252 4.602 4.350 0.000 0.000 0.275 596 E C 0.822 177.413 176.600 -0.014 0.000 1.029 596 E CA -0.432 55.962 56.400 -0.011 0.000 0.871 596 E CB 1.030 30.724 29.700 -0.009 0.000 1.022 596 E HN 0.648 nan 8.360 nan 0.000 0.418 597 L N 3.883 125.098 121.223 -0.013 0.000 2.137 597 L HA -0.290 4.050 4.340 0.000 0.000 0.213 597 L C 2.316 179.177 176.870 -0.014 0.000 1.085 597 L CA 1.322 56.154 54.840 -0.014 0.000 0.760 597 L CB -0.762 41.292 42.059 -0.008 0.000 0.893 597 L HN 0.710 nan 8.230 nan 0.000 0.434 598 A N 0.534 123.348 122.820 -0.011 0.000 1.851 598 A HA -0.233 4.087 4.320 0.000 0.000 0.216 598 A C 2.595 180.170 177.584 -0.014 0.000 1.195 598 A CA 1.988 54.019 52.037 -0.011 0.000 0.622 598 A CB -0.903 18.092 19.000 -0.009 0.000 0.831 598 A HN 0.405 nan 8.150 nan 0.000 0.444 599 A N -0.155 122.655 122.820 -0.016 0.000 2.093 599 A HA -0.119 4.201 4.320 0.000 0.000 0.222 599 A C 1.736 179.305 177.584 -0.025 0.000 1.162 599 A CA 1.884 53.908 52.037 -0.021 0.000 0.655 599 A CB -0.572 18.416 19.000 -0.021 0.000 0.805 599 A HN 1.123 nan 8.150 nan 0.000 0.461 600 I N -5.233 115.321 120.570 -0.027 0.000 4.240 600 I HA 0.374 4.544 4.170 0.000 0.000 0.331 600 I C 0.810 176.908 176.117 -0.030 0.000 1.381 600 I CA 0.522 61.801 61.300 -0.034 0.000 1.136 600 I CB -1.144 36.827 38.000 -0.049 0.000 1.137 600 I HN 0.544 nan 8.210 nan 0.000 0.411 601 G N 3.067 111.854 108.800 -0.022 0.000 2.367 601 G HA2 -0.096 3.864 3.960 0.000 0.000 0.295 601 G HA3 -0.096 3.864 3.960 0.000 0.000 0.295 601 G C -0.057 174.831 174.900 -0.019 0.000 1.019 601 G CA 0.662 45.752 45.100 -0.017 0.000 1.224 601 G HN 1.043 nan 8.290 nan 0.000 0.510 602 V N -2.352 117.553 119.914 -0.016 0.000 3.105 602 V HA 1.049 5.169 4.120 0.000 0.000 0.311 602 V C -0.186 175.910 176.094 0.004 0.000 1.282 602 V CA -0.116 62.176 62.300 -0.012 0.000 1.065 602 V CB 2.366 34.173 31.823 -0.026 0.000 1.136 602 V HN 1.416 nan 8.190 nan 0.000 0.469 603 D N -2.159 118.252 120.400 0.018 0.000 3.601 603 D HA 0.402 5.042 4.640 0.000 0.000 0.128 603 D C -0.334 176.016 176.300 0.084 0.000 0.894 603 D CA 0.446 54.470 54.000 0.039 0.000 1.958 603 D CB -1.066 39.755 40.800 0.034 0.000 0.576 603 D HN 1.195 nan 8.370 nan 0.000 0.892 604 G N -0.826 108.036 108.800 0.103 0.000 3.262 604 G HA2 0.595 4.555 3.960 0.000 0.000 0.229 604 G HA3 0.595 4.555 3.960 0.000 0.000 0.229 604 G C -1.178 173.922 174.900 0.333 0.000 1.280 604 G CA -1.054 44.178 45.100 0.221 0.000 0.951 604 G HN 0.023 nan 8.290 nan 0.000 0.589 605 W N 0.503 121.802 121.300 -0.001 0.000 2.315 605 W HA 0.567 5.227 4.660 -0.000 0.000 0.316 605 W C 0.144 176.671 176.519 0.012 0.000 1.211 605 W CA -0.832 56.520 57.345 0.011 0.000 1.201 605 W CB 0.482 29.958 29.460 0.027 0.000 1.184 605 W HN 0.118 nan 8.180 nan 0.000 0.544 606 T N 5.252 119.943 114.554 0.228 0.000 2.728 606 T HA 0.272 4.622 4.350 0.000 0.000 0.296 606 T C 0.109 174.915 174.700 0.177 0.000 0.940 606 T CA -0.620 61.568 62.100 0.146 0.000 1.013 606 T CB 0.141 69.054 68.868 0.074 0.000 0.912 606 T HN -0.107 nan 8.240 nan 0.000 0.484 607 L N 4.600 125.943 121.223 0.201 0.000 2.456 607 L HA 0.175 4.515 4.340 0.000 0.000 0.272 607 L C 0.631 177.584 176.870 0.139 0.000 1.189 607 L CA -0.646 54.331 54.840 0.228 0.000 0.846 607 L CB -0.035 42.236 42.059 0.353 0.000 1.111 607 L HN 0.514 nan 8.230 nan 0.000 0.475 608 L N 1.609 122.904 121.223 0.120 0.000 2.423 608 L HA 0.367 4.707 4.340 0.000 0.000 0.249 608 L C 1.034 177.911 176.870 0.012 0.000 1.276 608 L CA -0.121 54.753 54.840 0.056 0.000 1.199 608 L CB -1.430 40.663 42.059 0.058 0.000 1.407 608 L HN 0.630 nan 8.230 nan 0.000 0.410 609 A N 2.635 125.421 122.820 -0.055 0.000 2.072 609 A HA 0.096 4.416 4.320 0.000 0.000 0.216 609 A C 1.363 178.866 177.584 -0.136 0.000 1.156 609 A CA 0.042 51.968 52.037 -0.184 0.000 0.701 609 A CB -0.143 18.597 19.000 -0.434 0.000 0.816 609 A HN 0.736 nan 8.150 nan 0.000 0.458 621 G N 0.447 109.249 108.800 0.003 0.000 2.521 621 G HA2 0.136 4.096 3.960 0.000 0.000 0.589 621 G HA3 0.136 4.096 3.960 0.000 0.000 0.589 621 G C -0.965 173.944 174.900 0.015 0.000 1.501 621 G CA 0.069 45.172 45.100 0.006 0.000 0.887 621 G HN 0.853 nan 8.290 nan 0.000 0.654 622 D N 0.391 120.795 120.400 0.006 0.000 2.520 622 D HA 0.270 4.910 4.640 0.000 0.000 0.223 622 D C 0.886 177.187 176.300 0.002 0.000 1.186 622 D CA 0.638 54.642 54.000 0.007 0.000 0.821 622 D CB 0.796 41.600 40.800 0.006 0.000 1.072 622 D HN 0.926 nan 8.370 nan 0.000 0.518 623 G N 0.926 109.725 108.800 -0.001 0.000 2.410 623 G HA2 0.413 4.373 3.960 0.000 0.000 0.330 623 G HA3 0.413 4.373 3.960 0.000 0.000 0.330 623 G C 0.288 175.186 174.900 -0.004 0.000 1.142 623 G CA -0.129 44.969 45.100 -0.003 0.000 0.902 623 G HN 0.191 nan 8.290 nan 0.000 0.491 624 S N -0.106 115.591 115.700 -0.006 0.000 2.540 624 S HA 0.036 4.506 4.470 0.000 0.000 0.272 624 S C 0.216 174.810 174.600 -0.009 0.000 1.357 624 S CA 0.045 58.240 58.200 -0.008 0.000 1.011 624 S CB 0.226 63.421 63.200 -0.008 0.000 0.852 624 S HN 0.430 nan 8.310 nan 0.000 0.535 625 I N 1.818 122.380 120.570 -0.012 0.000 2.328 625 I HA 0.263 4.433 4.170 0.000 0.000 0.287 625 I C -0.614 175.494 176.117 -0.014 0.000 1.012 625 I CA -0.882 60.409 61.300 -0.014 0.000 1.195 625 I CB 1.453 39.440 38.000 -0.021 0.000 1.350 625 I HN 0.424 nan 8.210 nan 0.000 0.464 626 V N 7.765 127.671 119.914 -0.013 0.000 2.488 626 V HA 0.277 4.397 4.120 0.000 0.000 0.277 626 V C 0.197 176.281 176.094 -0.016 0.000 1.046 626 V CA -0.328 61.963 62.300 -0.014 0.000 0.986 626 V CB 1.104 32.920 31.823 -0.013 0.000 0.989 626 V HN 0.469 nan 8.190 nan 0.000 0.475 627 L N 7.512 128.725 121.223 -0.018 0.000 2.319 627 L HA 0.475 4.815 4.340 0.000 0.000 0.281 627 L C -2.437 174.416 176.870 -0.029 0.000 1.005 627 L CA -1.760 53.068 54.840 -0.021 0.000 0.828 627 L CB 2.057 44.108 42.059 -0.013 0.000 1.227 627 L HN 0.433 nan 8.230 nan 0.000 0.415 628 P HA 0.205 nan 4.420 nan 0.000 0.274 628 P C -2.565 174.700 177.300 -0.058 0.000 1.260 628 P CA -1.467 61.614 63.100 -0.032 0.000 0.793 628 P CB -0.162 31.529 31.700 -0.015 0.000 1.048 629 P HA -0.031 nan 4.420 nan 0.000 0.264 629 P C -0.656 176.571 177.300 -0.121 0.000 1.193 629 P CA 0.762 63.742 63.100 -0.200 0.000 0.763 629 P CB -0.402 31.209 31.700 -0.148 0.000 0.810 630 Y N -0.386 119.874 120.300 -0.066 0.000 4.079 630 Y HA -0.220 4.330 4.550 0.000 0.000 0.223 630 Y C 1.366 177.195 175.900 -0.119 0.000 1.155 630 Y CA 1.128 59.148 58.100 -0.135 0.000 1.805 630 Y CB -2.389 35.992 38.460 -0.131 0.000 1.571 630 Y HN 0.446 nan 8.280 nan 0.000 0.654 631 G N -0.355 108.448 108.800 0.005 0.000 2.504 631 G HA2 0.526 4.486 3.960 0.000 0.000 0.288 631 G HA3 0.526 4.486 3.960 0.000 0.000 0.288 631 G C -0.753 174.142 174.900 -0.010 0.000 1.182 631 G CA 0.035 45.132 45.100 -0.004 0.000 0.894 631 G HN 0.461 nan 8.290 nan 0.000 0.521 632 V N 0.525 120.418 119.914 -0.035 0.000 2.760 632 V HA 0.857 4.977 4.120 0.000 0.000 0.309 632 V C -0.991 175.049 176.094 -0.091 0.000 1.077 632 V CA -1.109 61.148 62.300 -0.071 0.000 0.910 632 V CB 2.165 33.973 31.823 -0.024 0.000 1.008 632 V HN 0.844 nan 8.190 nan 0.000 0.424 633 R N 4.789 125.241 120.500 -0.080 0.000 2.532 633 R HA 0.563 4.903 4.340 0.000 0.000 0.297 633 R C -2.072 174.285 176.300 0.095 0.000 0.984 633 R CA -0.347 55.738 56.100 -0.024 0.000 0.884 633 R CB 1.383 31.660 30.300 -0.038 0.000 1.182 633 R HN 0.709 nan 8.270 nan 0.000 0.442 634 W N 5.981 127.188 121.300 -0.155 0.000 2.391 634 W HA 0.461 5.121 4.660 -0.000 0.000 0.311 634 W C -0.877 175.513 176.519 -0.215 0.000 1.087 634 W CA -0.690 56.513 57.345 -0.237 0.000 1.209 634 W CB 0.809 30.275 29.460 0.011 0.000 1.273 634 W HN 0.349 nan 8.180 nan 0.000 0.482 635 L N 2.949 124.050 121.223 -0.204 0.000 2.365 635 L HA 0.509 4.849 4.340 0.000 0.000 0.273 635 L C 0.149 176.921 176.870 -0.163 0.000 1.000 635 L CA -0.898 53.874 54.840 -0.113 0.000 0.819 635 L CB 1.833 43.822 42.059 -0.117 0.000 1.284 635 L HN 0.383 nan 8.230 nan 0.000 0.418 636 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 636 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 636 Q CA 0.000 55.761 55.803 -0.069 0.000 1.022 636 Q CB 0.000 28.691 28.738 -0.079 0.000 1.108 636 Q HN 0.000 nan 8.270 nan 0.000 0.481