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 1pi3_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNQLPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.665 177.584 0.136 0.000 1.274 2 A CA 0.000 52.110 52.037 0.121 0.000 0.836 2 A CB 0.000 19.093 19.000 0.154 0.000 0.831 3 S N 0.218 116.015 115.700 0.161 0.000 2.632 3 S HA 0.498 4.968 4.470 0.000 0.000 0.267 3 S C 1.180 175.931 174.600 0.251 0.000 1.276 3 S CA 0.033 58.348 58.200 0.193 0.000 0.998 3 S CB 1.082 64.407 63.200 0.209 0.000 0.953 3 S HN 1.456 nan 8.310 nan 0.000 0.547 4 V N 1.662 121.731 119.914 0.257 0.000 2.332 4 V HA -0.215 3.905 4.120 0.000 0.000 0.248 4 V C 2.590 178.978 176.094 0.490 0.000 1.055 4 V CA 2.347 64.819 62.300 0.287 0.000 1.038 4 V CB -1.439 30.477 31.823 0.155 0.000 0.651 4 V HN 1.043 nan 8.190 nan 0.000 0.450 5 H N 0.874 120.243 119.070 0.499 0.000 2.265 5 H HA -0.180 4.376 4.556 0.000 0.000 0.295 5 H C 2.330 177.876 175.328 0.364 0.000 1.084 5 H CA 2.385 58.737 56.048 0.508 0.000 1.261 5 H CB -0.594 29.395 29.762 0.379 0.000 1.360 5 H HN 0.414 nan 8.280 nan 0.000 0.487 6 G N -0.754 108.334 108.800 0.479 0.000 2.418 6 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 6 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 6 G C 1.822 176.872 174.900 0.250 0.000 1.158 6 G CA 1.312 46.604 45.100 0.320 0.000 0.771 6 G HN 0.466 nan 8.290 nan 0.000 0.545 7 T N 0.842 115.571 114.554 0.292 0.000 2.821 7 T HA -0.089 4.261 4.350 0.000 0.000 0.267 7 T C 2.641 177.539 174.700 0.330 0.000 1.046 7 T CA 1.717 64.028 62.100 0.351 0.000 1.139 7 T CB -0.398 68.669 68.868 0.331 0.000 0.871 7 T HN 0.285 nan 8.240 nan 0.000 0.454 8 T N 0.924 115.642 114.554 0.272 0.000 2.737 8 T HA -0.053 4.297 4.350 0.000 0.000 0.265 8 T C 1.640 176.348 174.700 0.014 0.000 1.038 8 T CA 1.052 63.267 62.100 0.192 0.000 1.144 8 T CB -0.471 68.581 68.868 0.306 0.000 0.866 8 T HN 0.389 nan 8.240 nan 0.000 0.434 9 Y N 1.348 121.604 120.300 -0.073 0.000 2.224 9 Y HA -0.067 4.483 4.550 0.000 0.000 0.289 9 Y C 2.612 178.429 175.900 -0.139 0.000 1.146 9 Y CA 1.122 59.050 58.100 -0.286 0.000 1.182 9 Y CB -0.307 37.807 38.460 -0.578 0.000 0.983 9 Y HN 0.184 nan 8.280 nan 0.000 0.524 10 E N 0.376 120.582 120.200 0.010 0.000 2.077 10 E HA -0.191 4.159 4.350 0.000 0.000 0.193 10 E C 2.058 178.500 176.600 -0.262 0.000 0.989 10 E CA 0.980 57.251 56.400 -0.215 0.000 0.800 10 E CB -0.540 28.881 29.700 -0.465 0.000 0.746 10 E HN 0.344 nan 8.360 nan 0.000 0.452 11 L N 0.219 121.428 121.223 -0.024 0.000 2.012 11 L HA -0.141 4.199 4.340 0.000 0.000 0.210 11 L C 2.140 179.075 176.870 0.109 0.000 1.073 11 L CA 1.748 56.703 54.840 0.193 0.000 0.748 11 L CB -0.629 41.639 42.059 0.348 0.000 0.891 11 L HN 0.278 nan 8.230 nan 0.000 0.431 12 L N -0.521 120.757 121.223 0.092 0.000 1.989 12 L HA -0.251 4.089 4.340 0.000 0.000 0.211 12 L C 2.867 179.807 176.870 0.117 0.000 1.071 12 L CA 1.944 56.843 54.840 0.099 0.000 0.749 12 L CB -0.698 41.414 42.059 0.087 0.000 0.890 12 L HN 0.375 nan 8.230 nan 0.000 0.431 13 R N 0.132 120.739 120.500 0.179 0.000 2.091 13 R HA -0.162 4.178 4.340 0.000 0.000 0.238 13 R C 2.399 178.698 176.300 -0.000 0.000 1.136 13 R CA 1.322 57.460 56.100 0.064 0.000 0.959 13 R CB -0.103 30.270 30.300 0.121 0.000 0.856 13 R HN 0.237 nan 8.270 nan 0.000 0.437 14 R N 0.137 120.632 120.500 -0.008 0.000 2.189 14 R HA -0.032 4.308 4.340 0.000 0.000 0.223 14 R C 1.485 177.823 176.300 0.065 0.000 1.092 14 R CA 0.768 56.876 56.100 0.013 0.000 0.989 14 R CB 0.014 30.311 30.300 -0.004 0.000 0.876 14 R HN 0.411 nan 8.270 nan 0.000 0.457 15 Q N -0.506 119.334 119.800 0.067 0.000 2.246 15 Q HA 0.145 4.485 4.340 0.000 0.000 0.202 15 Q C 0.644 176.671 176.000 0.044 0.000 0.883 15 Q CA 0.410 56.255 55.803 0.069 0.000 0.952 15 Q CB 1.044 29.813 28.738 0.051 0.000 1.078 15 Q HN 0.515 nan 8.270 nan 0.000 0.493 16 G N 1.301 110.113 108.800 0.019 0.000 2.157 16 G HA2 -0.258 3.703 3.960 0.000 0.000 0.248 16 G HA3 -0.258 3.703 3.960 0.000 0.000 0.248 16 G C 0.149 175.033 174.900 -0.027 0.000 0.979 16 G CA -0.161 44.939 45.100 -0.001 0.000 0.650 16 G HN 0.342 nan 8.290 nan 0.000 0.529 17 I N 1.466 122.008 120.570 -0.046 0.000 2.342 17 I HA 0.462 4.632 4.170 0.000 0.000 0.291 17 I C 0.621 176.495 176.117 -0.405 0.000 1.010 17 I CA -0.009 61.243 61.300 -0.080 0.000 1.308 17 I CB 1.439 39.452 38.000 0.021 0.000 1.400 17 I HN 0.242 nan 8.210 nan 0.000 0.488 18 D N 1.449 121.564 120.400 -0.474 0.000 2.538 18 D HA 0.097 4.737 4.640 0.000 0.000 0.241 18 D C -0.110 175.841 176.300 -0.583 0.000 1.297 18 D CA -0.057 53.374 54.000 -0.948 0.000 0.804 18 D CB 0.543 41.014 40.800 -0.549 0.000 1.122 18 D HN 0.278 nan 8.370 nan 0.000 0.519 19 T N 0.125 114.528 114.554 -0.250 0.000 2.886 19 T HA 0.576 4.926 4.350 0.000 0.000 0.292 19 T C -0.954 173.720 174.700 -0.043 0.000 1.012 19 T CA -0.618 61.349 62.100 -0.222 0.000 0.982 19 T CB 2.537 71.113 68.868 -0.487 0.000 1.018 19 T HN -0.126 nan 8.240 nan 0.000 0.451 20 V N 3.743 123.659 119.914 0.004 0.000 2.378 20 V HA 0.492 4.612 4.120 0.000 0.000 0.288 20 V C -0.927 174.941 176.094 -0.377 0.000 1.016 20 V CA -0.871 61.551 62.300 0.204 0.000 0.840 20 V CB 0.745 32.942 31.823 0.624 0.000 0.994 20 V HN 0.801 nan 8.190 nan 0.000 0.431 21 F N 3.204 123.126 119.950 -0.048 0.000 2.411 21 F HA 0.761 5.288 4.527 0.000 0.000 0.355 21 F C 0.949 176.628 175.800 -0.203 0.000 1.117 21 F CA -0.025 57.848 58.000 -0.211 0.000 1.139 21 F CB 1.614 40.540 39.000 -0.124 0.000 1.120 21 F HN 0.602 nan 8.300 nan 0.000 0.493 22 G N 2.490 111.145 108.800 -0.243 0.000 2.677 22 G HA2 0.324 4.284 3.960 0.000 0.000 0.291 22 G HA3 0.324 4.284 3.960 0.000 0.000 0.291 22 G C -2.203 172.747 174.900 0.084 0.000 1.435 22 G CA -0.894 44.173 45.100 -0.056 0.000 0.826 22 G HN 0.532 nan 8.290 nan 0.000 0.491 23 N N 1.124 119.936 118.700 0.185 0.000 2.410 23 N HA 0.472 5.212 4.740 0.000 0.000 0.287 23 N C -2.833 172.800 175.510 0.205 0.000 1.044 23 N CA -1.360 51.802 53.050 0.186 0.000 0.881 23 N CB 3.538 42.090 38.487 0.108 0.000 1.405 23 N HN 0.290 nan 8.380 nan 0.000 0.490 24 P HA 0.454 nan 4.420 nan 0.000 0.276 24 P C -0.367 176.986 177.300 0.088 0.000 1.261 24 P CA -0.015 63.170 63.100 0.143 0.000 0.800 24 P CB 1.662 33.392 31.700 0.049 0.000 1.066 25 G N -1.311 107.553 108.800 0.107 0.000 2.523 25 G HA2 0.322 4.282 3.960 0.000 0.000 0.291 25 G HA3 0.322 4.282 3.960 0.000 0.000 0.291 25 G C 0.562 175.539 174.900 0.128 0.000 1.450 25 G CA 0.052 45.227 45.100 0.125 0.000 0.790 25 G HN 0.396 nan 8.290 nan 0.000 0.496 26 S N -0.096 115.672 115.700 0.113 0.000 2.402 26 S HA -0.112 4.358 4.470 0.000 0.000 0.229 26 S C 1.561 176.139 174.600 -0.036 0.000 1.021 26 S CA 1.480 59.686 58.200 0.009 0.000 0.974 26 S CB -0.143 63.049 63.200 -0.012 0.000 0.800 26 S HN 0.430 nan 8.310 nan 0.000 0.484 27 N N 1.762 120.518 118.700 0.093 0.000 2.550 27 N HA 0.054 4.794 4.740 0.000 0.000 0.186 27 N C 1.406 177.054 175.510 0.231 0.000 1.110 27 N CA 0.694 53.840 53.050 0.160 0.000 0.912 27 N CB -0.228 38.392 38.487 0.222 0.000 0.968 27 N HN 0.676 nan 8.380 nan 0.000 0.448 28 Q N -0.411 119.502 119.800 0.189 0.000 2.384 28 Q HA 0.266 4.606 4.340 0.000 0.000 0.207 28 Q C 1.794 177.894 176.000 0.167 0.000 0.904 28 Q CA -0.065 55.876 55.803 0.230 0.000 0.933 28 Q CB 0.455 29.338 28.738 0.242 0.000 1.077 28 Q HN 0.259 nan 8.270 nan 0.000 0.522 29 L N 0.936 122.202 121.223 0.072 0.000 2.079 29 L HA -0.137 4.203 4.340 0.000 0.000 0.210 29 L C -0.698 176.202 176.870 0.050 0.000 1.081 29 L CA 1.273 56.125 54.840 0.020 0.000 0.752 29 L CB -1.356 40.680 42.059 -0.038 0.000 0.896 29 L HN 0.161 nan 8.230 nan 0.000 0.433 30 P HA -0.177 nan 4.420 nan 0.000 0.226 30 P C 1.323 178.704 177.300 0.135 0.000 1.153 30 P CA 1.097 64.317 63.100 0.201 0.000 0.777 30 P CB 0.019 31.971 31.700 0.420 0.000 0.794 31 F N -0.054 119.712 119.950 -0.306 0.000 2.219 31 F HA 0.048 4.575 4.527 0.000 0.000 0.294 31 F C 1.680 177.429 175.800 -0.085 0.000 1.086 31 F CA 1.188 58.776 58.000 -0.687 0.000 1.330 31 F CB -0.626 37.731 39.000 -1.071 0.000 1.047 31 F HN -0.284 nan 8.300 nan 0.000 0.495 32 L N 0.852 122.003 121.223 -0.119 0.000 2.418 32 L HA -0.008 4.332 4.340 0.000 0.000 0.218 32 L C 1.094 177.941 176.870 -0.039 0.000 1.125 32 L CA 0.103 54.875 54.840 -0.115 0.000 0.835 32 L CB -0.766 41.225 42.059 -0.112 0.000 0.953 32 L HN 0.049 nan 8.230 nan 0.000 0.454 33 K N -0.121 120.275 120.400 -0.006 0.000 2.336 33 K HA -0.052 4.268 4.320 0.000 0.000 0.262 33 K C -0.220 176.374 176.600 -0.010 0.000 0.992 33 K CA -0.224 56.047 56.287 -0.026 0.000 0.927 33 K CB 0.308 32.780 32.500 -0.047 0.000 0.956 33 K HN -0.039 nan 8.250 nan 0.000 0.495 34 D N 0.112 120.471 120.400 -0.069 0.000 2.701 34 D HA -0.234 4.406 4.640 0.000 0.000 0.235 34 D C -0.635 175.587 176.300 -0.130 0.000 1.155 34 D CA 0.874 54.811 54.000 -0.106 0.000 0.649 34 D CB -1.416 39.264 40.800 -0.201 0.000 1.050 34 D HN 0.492 nan 8.370 nan 0.000 0.425 35 F N 1.003 120.783 119.950 -0.282 0.000 2.602 35 F HA 0.212 4.739 4.527 0.000 0.000 0.385 35 F C -1.518 174.019 175.800 -0.438 0.000 1.063 35 F CA -1.439 56.296 58.000 -0.443 0.000 1.233 35 F CB 0.472 39.290 39.000 -0.303 0.000 1.067 35 F HN -0.164 nan 8.300 nan 0.000 0.564 36 P HA 0.054 nan 4.420 nan 0.000 0.271 36 P C 0.118 177.213 177.300 -0.341 0.000 1.218 36 P CA 0.059 62.757 63.100 -0.670 0.000 0.780 36 P CB 0.580 31.765 31.700 -0.859 0.000 0.901 37 E N 1.256 121.363 120.200 -0.154 0.000 2.268 37 E HA -0.176 4.174 4.350 0.000 0.000 0.195 37 E C 0.998 177.595 176.600 -0.006 0.000 0.995 37 E CA 1.055 57.429 56.400 -0.043 0.000 0.836 37 E CB -0.082 29.596 29.700 -0.036 0.000 0.763 37 E HN 0.614 nan 8.360 nan 0.000 0.491 38 D N -0.128 120.274 120.400 0.003 0.000 2.340 38 D HA -0.074 4.566 4.640 0.000 0.000 0.220 38 D C 0.150 176.462 176.300 0.021 0.000 1.039 38 D CA 0.128 54.139 54.000 0.019 0.000 0.866 38 D CB -0.062 40.743 40.800 0.008 0.000 0.913 38 D HN -0.036 nan 8.370 nan 0.000 0.523 39 F N 1.102 120.912 119.950 -0.233 0.000 2.399 39 F HA 0.439 4.966 4.527 0.000 0.000 0.328 39 F C 0.951 176.777 175.800 0.045 0.000 1.084 39 F CA -1.207 56.665 58.000 -0.212 0.000 1.053 39 F CB 1.336 39.984 39.000 -0.587 0.000 1.209 39 F HN -0.306 nan 8.300 nan 0.000 0.502 40 R N 1.565 122.203 120.500 0.229 0.000 2.589 40 R HA 0.387 4.727 4.340 0.000 0.000 0.293 40 R C -1.954 174.523 176.300 0.295 0.000 0.963 40 R CA -0.644 55.584 56.100 0.213 0.000 0.905 40 R CB 1.062 31.340 30.300 -0.036 0.000 1.144 40 R HN 0.700 nan 8.270 nan 0.000 0.459 41 Y N 5.333 125.672 120.300 0.065 0.000 2.331 41 Y HA 0.408 4.958 4.550 0.000 0.000 0.338 41 Y C -0.777 174.993 175.900 -0.216 0.000 0.992 41 Y CA -0.864 57.151 58.100 -0.142 0.000 1.121 41 Y CB 1.099 39.307 38.460 -0.420 0.000 1.184 41 Y HN 0.414 nan 8.280 nan 0.000 0.469 42 I N 8.354 128.510 120.570 -0.690 0.000 2.359 42 I HA 0.171 4.341 4.170 0.000 0.000 0.284 42 I C -0.802 175.071 176.117 -0.406 0.000 1.018 42 I CA -0.802 60.101 61.300 -0.662 0.000 1.173 42 I CB 0.954 38.503 38.000 -0.751 0.000 1.326 42 I HN 0.507 nan 8.210 nan 0.000 0.462 43 L N 6.831 128.111 121.223 0.094 0.000 2.326 43 L HA 0.749 5.089 4.340 0.000 0.000 0.278 43 L C 0.006 177.089 176.870 0.355 0.000 1.092 43 L CA 0.289 55.317 54.840 0.313 0.000 0.810 43 L CB 1.143 43.563 42.059 0.603 0.000 1.153 43 L HN 0.703 nan 8.230 nan 0.000 0.439 44 A N 4.863 127.824 122.820 0.235 0.000 2.469 44 A HA 0.576 4.896 4.320 0.000 0.000 0.299 44 A C 0.305 177.947 177.584 0.098 0.000 1.098 44 A CA -0.643 51.522 52.037 0.214 0.000 0.737 44 A CB 1.142 20.224 19.000 0.136 0.000 1.312 44 A HN 0.848 nan 8.150 nan 0.000 0.414 45 L N -0.216 121.013 121.223 0.009 0.000 2.492 45 L HA 0.148 4.488 4.340 0.000 0.000 0.223 45 L C 0.907 177.740 176.870 -0.061 0.000 1.132 45 L CA 0.829 55.600 54.840 -0.115 0.000 0.850 45 L CB 0.067 41.969 42.059 -0.262 0.000 0.966 45 L HN 0.719 nan 8.230 nan 0.000 0.454 46 Q N -0.555 119.236 119.800 -0.016 0.000 2.435 46 Q HA 0.127 4.467 4.340 0.000 0.000 0.282 46 Q C -0.442 175.576 176.000 0.030 0.000 1.020 46 Q CA -0.266 55.539 55.803 0.004 0.000 0.820 46 Q CB 2.309 31.048 28.738 0.002 0.000 1.436 46 Q HN -0.005 nan 8.270 nan 0.000 0.395 47 E N 0.964 121.190 120.200 0.044 0.000 2.208 47 E HA -0.032 4.318 4.350 0.000 0.000 0.193 47 E C 1.470 178.099 176.600 0.049 0.000 0.988 47 E CA 1.304 57.738 56.400 0.056 0.000 0.828 47 E CB 0.063 29.806 29.700 0.071 0.000 0.763 47 E HN 0.641 nan 8.360 nan 0.000 0.478 48 A N 0.271 123.119 122.820 0.047 0.000 1.933 48 A HA -0.216 4.104 4.320 0.000 0.000 0.218 48 A C 2.231 179.836 177.584 0.035 0.000 1.175 48 A CA 1.373 53.440 52.037 0.049 0.000 0.628 48 A CB -0.870 18.169 19.000 0.064 0.000 0.814 48 A HN 0.420 nan 8.150 nan 0.000 0.444 49 C N -1.452 117.865 119.300 0.029 0.000 2.466 49 C HA -0.007 4.453 4.460 0.000 0.000 0.278 49 C C 2.674 177.672 174.990 0.013 0.000 1.288 49 C CA 0.703 59.730 59.018 0.015 0.000 1.722 49 C CB -1.264 26.485 27.740 0.014 0.000 2.017 49 C HN 0.451 nan 8.230 nan 0.000 0.488 50 V N 1.127 121.062 119.914 0.035 0.000 2.252 50 V HA -0.229 3.891 4.120 0.000 0.000 0.249 50 V C 2.440 178.530 176.094 -0.007 0.000 1.056 50 V CA 2.350 64.678 62.300 0.046 0.000 1.022 50 V CB -0.783 31.082 31.823 0.070 0.000 0.641 50 V HN 0.471 nan 8.190 nan 0.000 0.445 51 V N 0.607 120.521 119.914 -0.000 0.000 2.453 51 V HA -0.093 4.027 4.120 0.000 0.000 0.247 51 V C 2.612 178.673 176.094 -0.054 0.000 1.048 51 V CA 1.897 64.185 62.300 -0.020 0.000 1.049 51 V CB -1.270 30.568 31.823 0.025 0.000 0.672 51 V HN 0.614 nan 8.190 nan 0.000 0.457 52 G N 0.157 108.933 108.800 -0.039 0.000 2.418 52 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 52 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 52 G C 1.575 176.355 174.900 -0.200 0.000 1.158 52 G CA 1.076 46.125 45.100 -0.085 0.000 0.771 52 G HN 0.482 nan 8.290 nan 0.000 0.545 53 I N 1.411 121.865 120.570 -0.192 0.000 2.142 53 I HA -0.189 3.981 4.170 0.000 0.000 0.240 53 I C 3.318 179.135 176.117 -0.500 0.000 1.078 53 I CA 1.079 62.227 61.300 -0.252 0.000 1.343 53 I CB -0.285 37.645 38.000 -0.118 0.000 1.046 53 I HN 0.239 nan 8.210 nan 0.000 0.405 54 A N 0.251 122.627 122.820 -0.740 0.000 1.940 54 A HA -0.303 4.017 4.320 0.000 0.000 0.219 54 A C 2.048 179.389 177.584 -0.406 0.000 1.176 54 A CA 2.290 53.695 52.037 -1.053 0.000 0.631 54 A CB -0.675 17.913 19.000 -0.687 0.000 0.814 54 A HN 0.461 nan 8.150 nan 0.000 0.446 55 D N -0.418 119.853 120.400 -0.214 0.000 2.084 55 D HA -0.078 4.562 4.640 0.000 0.000 0.194 55 D C 2.112 178.363 176.300 -0.082 0.000 0.990 55 D CA 1.782 55.752 54.000 -0.051 0.000 0.826 55 D CB -0.719 40.134 40.800 0.087 0.000 0.971 55 D HN 0.287 nan 8.370 nan 0.000 0.453 56 G N -0.969 107.715 108.800 -0.194 0.000 2.440 56 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 56 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 56 G C 1.705 176.471 174.900 -0.224 0.000 1.154 56 G CA 1.034 45.954 45.100 -0.300 0.000 0.767 56 G HN 0.393 nan 8.290 nan 0.000 0.552 57 Y N 1.920 122.052 120.300 -0.280 0.000 2.128 57 Y HA -0.055 4.495 4.550 0.000 0.000 0.284 57 Y C 2.956 178.797 175.900 -0.099 0.000 1.154 57 Y CA 1.712 59.707 58.100 -0.176 0.000 1.149 57 Y CB -0.362 37.983 38.460 -0.191 0.000 0.976 57 Y HN 0.251 nan 8.280 nan 0.000 0.505 58 A N -0.014 122.787 122.820 -0.031 0.000 1.902 58 A HA -0.222 4.098 4.320 0.000 0.000 0.217 58 A C 2.112 179.662 177.584 -0.057 0.000 1.181 58 A CA 1.851 53.872 52.037 -0.027 0.000 0.623 58 A CB -0.715 18.310 19.000 0.041 0.000 0.818 58 A HN 0.662 nan 8.150 nan 0.000 0.443 59 Q N -0.792 118.978 119.800 -0.050 0.000 2.079 59 Q HA -0.091 4.249 4.340 0.000 0.000 0.200 59 Q C 2.401 178.416 176.000 0.026 0.000 0.974 59 Q CA 1.366 57.184 55.803 0.025 0.000 0.840 59 Q CB -0.316 28.463 28.738 0.069 0.000 0.898 59 Q HN 0.686 nan 8.270 nan 0.000 0.430 60 A N 0.290 123.046 122.820 -0.107 0.000 1.930 60 A HA -0.066 4.254 4.320 0.000 0.000 0.215 60 A C 2.179 179.702 177.584 -0.102 0.000 1.176 60 A CA 1.212 53.218 52.037 -0.052 0.000 0.632 60 A CB -0.145 18.770 19.000 -0.141 0.000 0.819 60 A HN 0.200 nan 8.150 nan 0.000 0.445 61 S N -1.009 114.549 115.700 -0.236 0.000 2.489 61 S HA 0.048 4.518 4.470 0.000 0.000 0.228 61 S C 0.586 175.118 174.600 -0.113 0.000 0.995 61 S CA 0.358 58.405 58.200 -0.254 0.000 0.934 61 S CB -0.163 62.735 63.200 -0.502 0.000 0.771 61 S HN 0.575 nan 8.310 nan 0.000 0.522 62 R N 1.005 121.468 120.500 -0.061 0.000 3.422 62 R HA -0.173 4.167 4.340 0.000 0.000 0.267 62 R C -0.444 175.854 176.300 -0.003 0.000 1.074 62 R CA 0.850 56.945 56.100 -0.008 0.000 0.718 62 R CB -1.871 28.434 30.300 0.008 0.000 1.157 62 R HN 0.640 nan 8.270 nan 0.000 0.440 63 K N -1.619 118.779 120.400 -0.004 0.000 2.575 63 K HA 0.558 4.878 4.320 0.000 0.000 0.279 63 K C -3.174 173.467 176.600 0.069 0.000 0.969 63 K CA -2.120 54.186 56.287 0.030 0.000 0.868 63 K CB 2.519 35.037 32.500 0.030 0.000 1.457 63 K HN -0.299 nan 8.250 nan 0.000 0.426 64 P HA 0.120 nan 4.420 nan 0.000 0.269 64 P C -1.106 176.323 177.300 0.216 0.000 1.215 64 P CA -0.265 62.915 63.100 0.133 0.000 0.780 64 P CB 0.907 32.681 31.700 0.123 0.000 0.898 65 A N 2.420 125.383 122.820 0.238 0.000 2.350 65 A HA 0.662 4.982 4.320 0.000 0.000 0.324 65 A C -1.364 176.433 177.584 0.355 0.000 1.118 65 A CA -0.577 51.670 52.037 0.349 0.000 0.783 65 A CB 0.634 19.782 19.000 0.247 0.000 1.236 65 A HN 0.478 nan 8.150 nan 0.000 0.457 66 F N 2.061 122.199 119.950 0.314 0.000 2.436 66 F HA 0.753 5.280 4.527 0.000 0.000 0.340 66 F C -0.647 175.344 175.800 0.319 0.000 1.113 66 F CA -0.686 57.474 58.000 0.267 0.000 1.022 66 F CB 0.988 40.138 39.000 0.250 0.000 1.128 66 F HN 0.428 nan 8.300 nan 0.000 0.466 67 I N 4.636 125.008 120.570 -0.330 0.000 2.689 67 I HA 0.350 4.520 4.170 0.000 0.000 0.299 67 I C -1.222 174.712 176.117 -0.305 0.000 1.059 67 I CA -0.852 60.375 61.300 -0.122 0.000 1.055 67 I CB 2.300 40.276 38.000 -0.040 0.000 1.243 67 I HN 0.571 nan 8.210 nan 0.000 0.425 68 N N 5.832 124.531 118.700 -0.002 0.000 2.480 68 N HA 0.659 5.399 4.740 0.000 0.000 0.289 68 N C -1.776 173.815 175.510 0.136 0.000 1.073 68 N CA -0.356 52.737 53.050 0.070 0.000 0.885 68 N CB 1.230 39.921 38.487 0.340 0.000 1.421 68 N HN 0.466 nan 8.380 nan 0.000 0.503 69 L N 1.164 122.450 121.223 0.104 0.000 2.301 69 L HA 0.472 4.812 4.340 0.000 0.000 0.264 69 L C -0.371 176.604 176.870 0.176 0.000 1.016 69 L CA -1.267 53.662 54.840 0.148 0.000 0.821 69 L CB 1.656 43.796 42.059 0.136 0.000 1.346 69 L HN 0.619 nan 8.230 nan 0.000 0.429 70 H N 0.652 119.781 119.070 0.099 0.000 2.911 70 H HA 0.302 4.858 4.556 0.000 0.000 0.273 70 H C 0.425 175.808 175.328 0.092 0.000 1.157 70 H CA 0.994 57.098 56.048 0.093 0.000 1.402 70 H CB 0.615 30.423 29.762 0.077 0.000 1.463 70 H HN 0.694 nan 8.280 nan 0.000 0.475 71 S N 2.839 118.415 115.700 -0.206 0.000 3.144 71 S HA -0.381 4.089 4.470 0.000 0.000 0.629 71 S C 1.637 176.208 174.600 -0.048 0.000 2.962 71 S CA 1.478 59.550 58.200 -0.213 0.000 3.700 71 S CB -1.416 61.491 63.200 -0.488 0.000 0.286 71 S HN 1.120 nan 8.310 nan 0.000 1.464 72 A N 0.204 123.001 122.820 -0.038 0.000 1.898 72 A HA 0.450 4.770 4.320 0.000 0.000 0.214 72 A C 2.581 180.185 177.584 0.033 0.000 1.183 72 A CA 2.080 54.122 52.037 0.009 0.000 0.622 72 A CB -1.397 17.600 19.000 -0.004 0.000 0.824 72 A HN 1.675 nan 8.150 nan 0.000 0.444 73 A N -0.301 122.558 122.820 0.065 0.000 1.902 73 A HA 0.138 4.458 4.320 0.000 0.000 0.217 73 A C 2.371 180.033 177.584 0.130 0.000 1.181 73 A CA 1.921 54.026 52.037 0.112 0.000 0.623 73 A CB -1.329 17.771 19.000 0.167 0.000 0.818 73 A HN 0.676 nan 8.150 nan 0.000 0.443 74 G N -1.216 107.704 108.800 0.199 0.000 2.402 74 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 74 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 74 G C 1.572 176.542 174.900 0.117 0.000 1.162 74 G CA 1.599 46.803 45.100 0.173 0.000 0.777 74 G HN 0.418 nan 8.290 nan 0.000 0.539 75 T N 1.096 115.716 114.554 0.110 0.000 2.684 75 T HA -0.079 4.271 4.350 0.000 0.000 0.267 75 T C 2.502 177.212 174.700 0.018 0.000 1.036 75 T CA 1.576 63.725 62.100 0.082 0.000 1.148 75 T CB -0.678 68.240 68.868 0.083 0.000 0.863 75 T HN 0.355 nan 8.240 nan 0.000 0.436 76 G N 2.082 110.890 108.800 0.013 0.000 2.440 76 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 76 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 76 G C 1.623 176.532 174.900 0.014 0.000 1.154 76 G CA 0.791 45.889 45.100 -0.003 0.000 0.767 76 G HN 0.393 nan 8.290 nan 0.000 0.552 77 N N 1.070 119.792 118.700 0.037 0.000 2.348 77 N HA -0.038 4.703 4.740 0.000 0.000 0.185 77 N C 2.054 177.588 175.510 0.041 0.000 1.019 77 N CA 1.050 54.126 53.050 0.042 0.000 0.880 77 N CB -0.231 38.286 38.487 0.051 0.000 0.965 77 N HN 0.350 nan 8.380 nan 0.000 0.437 78 A N -0.395 122.448 122.820 0.038 0.000 2.275 78 A HA 0.154 4.474 4.320 0.000 0.000 0.212 78 A C 1.872 179.467 177.584 0.020 0.000 1.201 78 A CA 0.065 52.124 52.037 0.037 0.000 0.843 78 A CB -0.050 18.979 19.000 0.048 0.000 0.873 78 A HN 0.052 nan 8.150 nan 0.000 0.492 79 M N -0.584 119.016 119.600 -0.000 0.000 2.319 79 M HA -0.038 4.442 4.480 0.000 0.000 0.265 79 M C 2.148 178.441 176.300 -0.012 0.000 1.068 79 M CA 1.276 56.562 55.300 -0.024 0.000 1.118 79 M CB -1.232 31.337 32.600 -0.052 0.000 1.395 79 M HN 0.498 nan 8.290 nan 0.000 0.435 80 G N 0.102 108.905 108.800 0.004 0.000 2.402 80 G HA2 -0.083 3.877 3.960 0.000 0.000 0.216 80 G HA3 -0.083 3.877 3.960 0.000 0.000 0.216 80 G C 1.642 176.550 174.900 0.013 0.000 1.162 80 G CA 1.028 46.130 45.100 0.003 0.000 0.777 80 G HN 0.517 nan 8.290 nan 0.000 0.539 81 A N 0.598 123.439 122.820 0.036 0.000 1.933 81 A HA 0.105 4.425 4.320 0.000 0.000 0.218 81 A C 2.393 180.012 177.584 0.058 0.000 1.175 81 A CA 1.145 53.218 52.037 0.061 0.000 0.628 81 A CB -0.366 18.675 19.000 0.068 0.000 0.814 81 A HN 0.357 nan 8.150 nan 0.000 0.444 82 L N 0.459 121.709 121.223 0.044 0.000 2.201 82 L HA -0.166 4.174 4.340 0.000 0.000 0.212 82 L C 3.001 179.916 176.870 0.075 0.000 1.105 82 L CA 1.357 56.234 54.840 0.062 0.000 0.775 82 L CB -0.491 41.590 42.059 0.035 0.000 0.913 82 L HN 0.650 nan 8.230 nan 0.000 0.440 83 S N -0.092 115.626 115.700 0.029 0.000 2.368 83 S HA -0.190 4.280 4.470 0.000 0.000 0.225 83 S C 1.814 176.442 174.600 0.047 0.000 1.030 83 S CA 1.329 59.545 58.200 0.027 0.000 0.999 83 S CB -0.407 62.779 63.200 -0.024 0.000 0.844 83 S HN 0.422 nan 8.310 nan 0.000 0.459 84 N N 2.590 121.282 118.700 -0.014 0.000 2.084 84 N HA 0.050 4.790 4.740 0.000 0.000 0.190 84 N C 2.083 177.563 175.510 -0.049 0.000 1.030 84 N CA 1.552 54.541 53.050 -0.100 0.000 0.849 84 N CB -1.025 37.338 38.487 -0.207 0.000 1.012 84 N HN 0.631 nan 8.380 nan 0.000 0.423 85 A N 1.351 124.192 122.820 0.034 0.000 1.933 85 A HA -0.168 4.152 4.320 0.000 0.000 0.218 85 A C 2.065 179.696 177.584 0.078 0.000 1.175 85 A CA 1.051 53.125 52.037 0.061 0.000 0.628 85 A CB -1.060 18.000 19.000 0.100 0.000 0.814 85 A HN 0.594 nan 8.150 nan 0.000 0.444 86 W N 1.138 122.416 121.300 -0.036 0.000 2.335 86 W HA -0.217 4.443 4.660 0.000 0.000 0.311 86 W C 1.427 177.882 176.519 -0.107 0.000 1.213 86 W CA 2.123 59.449 57.345 -0.032 0.000 1.274 86 W CB -0.466 28.978 29.460 -0.028 0.000 1.148 86 W HN 0.405 nan 8.180 nan 0.000 0.498 87 N N 0.303 118.978 118.700 -0.041 0.000 2.331 87 N HA -0.143 4.597 4.740 0.000 0.000 0.180 87 N C 1.783 177.081 175.510 -0.353 0.000 1.019 87 N CA 1.997 54.926 53.050 -0.201 0.000 0.881 87 N CB -0.528 37.927 38.487 -0.054 0.000 0.972 87 N HN 0.133 nan 8.380 nan 0.000 0.435 88 S N -1.248 114.307 115.700 -0.242 0.000 2.575 88 S HA 0.063 4.533 4.470 0.000 0.000 0.215 88 S C -0.160 174.375 174.600 -0.109 0.000 0.966 88 S CA -0.283 57.819 58.200 -0.163 0.000 0.911 88 S CB -0.660 62.500 63.200 -0.066 0.000 0.780 88 S HN 0.412 nan 8.310 nan 0.000 0.514 89 H N 0.752 119.732 119.070 -0.150 0.000 2.713 89 H HA -0.129 4.427 4.556 0.000 0.000 0.311 89 H C -0.601 174.686 175.328 -0.069 0.000 1.175 89 H CA 0.401 56.350 56.048 -0.164 0.000 1.143 89 H CB -2.180 27.495 29.762 -0.146 0.000 1.434 89 H HN 0.352 nan 8.280 nan 0.000 0.418 90 S N 2.252 117.986 115.700 0.056 0.000 2.499 90 S HA 0.166 4.636 4.470 0.000 0.000 0.275 90 S C -1.868 172.775 174.600 0.072 0.000 1.257 90 S CA -1.078 57.163 58.200 0.069 0.000 1.050 90 S CB 1.098 64.339 63.200 0.068 0.000 0.937 90 S HN 0.198 nan 8.310 nan 0.000 0.490 91 P HA 0.250 nan 4.420 nan 0.000 0.256 91 P C -1.118 176.239 177.300 0.094 0.000 1.689 91 P CA -0.067 63.079 63.100 0.076 0.000 1.124 91 P CB -0.176 31.562 31.700 0.064 0.000 1.766 92 L N 4.460 125.744 121.223 0.102 0.000 2.313 92 L HA 0.508 4.848 4.340 0.000 0.000 0.283 92 L C 0.567 177.501 176.870 0.107 0.000 1.013 92 L CA -0.997 53.903 54.840 0.099 0.000 0.816 92 L CB 1.934 44.042 42.059 0.082 0.000 1.236 92 L HN 0.146 nan 8.230 nan 0.000 0.419 93 I N 4.163 124.787 120.570 0.091 0.000 2.307 93 I HA 0.202 4.372 4.170 0.000 0.000 0.287 93 I C -0.277 175.768 176.117 -0.120 0.000 1.054 93 I CA -0.465 60.865 61.300 0.050 0.000 1.218 93 I CB 1.277 39.362 38.000 0.142 0.000 1.398 93 I HN 0.230 nan 8.210 nan 0.000 0.475 94 V N 5.358 125.252 119.914 -0.032 0.000 2.348 94 V HA 0.307 4.427 4.120 0.000 0.000 0.270 94 V C 0.581 176.572 176.094 -0.172 0.000 1.037 94 V CA -0.448 61.822 62.300 -0.049 0.000 0.872 94 V CB 1.104 33.026 31.823 0.165 0.000 1.002 94 V HN 0.803 nan 8.190 nan 0.000 0.464 95 T N 2.280 116.641 114.554 -0.320 0.000 2.895 95 T HA 0.866 5.216 4.350 0.000 0.000 0.283 95 T C -0.349 174.215 174.700 -0.227 0.000 1.014 95 T CA -0.522 61.378 62.100 -0.333 0.000 1.037 95 T CB 2.005 70.670 68.868 -0.338 0.000 1.006 95 T HN 0.979 nan 8.240 nan 0.000 0.468 96 A N 1.709 124.370 122.820 -0.265 0.000 2.398 96 A HA 0.825 5.145 4.320 0.000 0.000 0.301 96 A C 0.303 177.858 177.584 -0.048 0.000 1.041 96 A CA -0.700 51.276 52.037 -0.101 0.000 0.711 96 A CB 1.235 20.212 19.000 -0.039 0.000 1.240 96 A HN 1.331 nan 8.150 nan 0.000 0.420 97 G N 0.619 109.447 108.800 0.047 0.000 2.403 97 G HA2 0.476 4.436 3.960 0.000 0.000 0.259 97 G HA3 0.476 4.436 3.960 0.000 0.000 0.259 97 G C -0.191 174.747 174.900 0.064 0.000 1.244 97 G CA -0.019 45.152 45.100 0.118 0.000 0.849 97 G HN 0.850 nan 8.290 nan 0.000 0.532 98 Q N 0.541 120.394 119.800 0.087 0.000 2.297 98 Q HA 0.338 4.678 4.340 0.000 0.000 0.269 98 Q C 0.268 176.339 176.000 0.119 0.000 1.051 98 Q CA -0.686 55.143 55.803 0.044 0.000 0.869 98 Q CB 1.105 29.830 28.738 -0.022 0.000 1.346 98 Q HN 0.499 nan 8.270 nan 0.000 0.457 99 Q N 0.423 120.264 119.800 0.068 0.000 2.524 99 Q HA 0.051 4.391 4.340 0.000 0.000 0.246 99 Q C -0.447 175.448 176.000 -0.175 0.000 1.063 99 Q CA 0.360 56.205 55.803 0.070 0.000 0.945 99 Q CB 0.582 29.341 28.738 0.034 0.000 1.292 99 Q HN 0.839 nan 8.270 nan 0.000 0.518 100 T N 0.812 115.050 114.554 -0.527 0.000 2.946 100 T HA -0.015 4.335 4.350 0.000 0.000 0.311 100 T C 1.366 175.891 174.700 -0.293 0.000 1.063 100 T CA 0.147 61.839 62.100 -0.681 0.000 1.139 100 T CB 0.364 68.713 68.868 -0.865 0.000 0.994 100 T HN 0.488 nan 8.240 nan 0.000 0.547 101 R N 3.099 123.456 120.500 -0.239 0.000 2.127 101 R HA -0.126 4.214 4.340 0.000 0.000 0.238 101 R C 2.560 178.793 176.300 -0.112 0.000 1.134 101 R CA 1.447 57.458 56.100 -0.149 0.000 0.975 101 R CB -0.528 29.695 30.300 -0.129 0.000 0.865 101 R HN 0.744 nan 8.270 nan 0.000 0.447 102 A N 0.321 123.073 122.820 -0.113 0.000 2.067 102 A HA -0.073 4.247 4.320 0.000 0.000 0.219 102 A C 1.772 179.324 177.584 -0.054 0.000 1.158 102 A CA 1.097 53.092 52.037 -0.071 0.000 0.661 102 A CB 0.027 18.993 19.000 -0.056 0.000 0.801 102 A HN 0.116 nan 8.150 nan 0.000 0.452 103 M N -1.283 118.280 119.600 -0.063 0.000 2.313 103 M HA 0.331 4.811 4.480 0.000 0.000 0.273 103 M C 1.451 177.733 176.300 -0.030 0.000 1.049 103 M CA 0.184 55.465 55.300 -0.031 0.000 1.004 103 M CB -0.505 32.089 32.600 -0.010 0.000 1.461 103 M HN 0.352 nan 8.290 nan 0.000 0.514 104 I N 0.160 120.701 120.570 -0.048 0.000 2.252 104 I HA -0.156 4.014 4.170 0.000 0.000 0.245 104 I C 2.435 178.533 176.117 -0.032 0.000 1.102 104 I CA 1.428 62.702 61.300 -0.043 0.000 1.385 104 I CB -0.589 37.375 38.000 -0.061 0.000 1.064 104 I HN 0.332 nan 8.210 nan 0.000 0.414 105 G N 0.061 108.841 108.800 -0.032 0.000 2.418 105 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 105 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 105 G C 1.685 176.575 174.900 -0.018 0.000 1.158 105 G CA 0.810 45.895 45.100 -0.026 0.000 0.771 105 G HN 0.301 nan 8.290 nan 0.000 0.545 106 V N 0.412 120.318 119.914 -0.013 0.000 3.380 106 V HA 0.104 4.224 4.120 0.000 0.000 0.268 106 V C 0.748 176.839 176.094 -0.004 0.000 1.168 106 V CA 1.133 63.429 62.300 -0.007 0.000 1.156 106 V CB -0.823 30.998 31.823 -0.002 0.000 0.785 106 V HN 0.647 nan 8.190 nan 0.000 0.487 107 E N -0.108 120.089 120.200 -0.006 0.000 2.246 107 E HA -0.212 4.138 4.350 0.000 0.000 0.211 107 E C 0.435 177.039 176.600 0.007 0.000 1.278 107 E CA 0.155 56.554 56.400 -0.002 0.000 0.694 107 E CB -1.511 28.186 29.700 -0.005 0.000 1.166 107 E HN 0.771 nan 8.360 nan 0.000 0.370 108 A N 0.854 123.681 122.820 0.013 0.000 2.507 108 A HA 0.224 4.544 4.320 0.000 0.000 0.235 108 A C 0.521 178.125 177.584 0.033 0.000 1.070 108 A CA -0.163 51.890 52.037 0.027 0.000 0.768 108 A CB 0.349 19.372 19.000 0.037 0.000 1.011 108 A HN 0.381 nan 8.150 nan 0.000 0.502 109 L N 1.218 122.466 121.223 0.042 0.000 2.593 109 L HA 0.051 4.391 4.340 0.000 0.000 0.287 109 L C 0.864 177.771 176.870 0.063 0.000 1.243 109 L CA 1.559 56.430 54.840 0.050 0.000 0.890 109 L CB -0.350 41.743 42.059 0.056 0.000 1.134 109 L HN 0.747 nan 8.230 nan 0.000 0.502 110 L N 1.516 122.772 121.223 0.055 0.000 4.885 110 L HA -0.218 4.122 4.340 0.000 0.000 0.404 110 L C 0.388 177.257 176.870 -0.000 0.000 0.970 110 L CA 0.387 55.245 54.840 0.030 0.000 1.426 110 L CB -2.590 39.516 42.059 0.079 0.000 1.934 110 L HN 0.731 nan 8.230 nan 0.000 0.613 111 T N 1.096 115.657 114.554 0.011 0.000 2.870 111 T HA 0.144 4.494 4.350 0.000 0.000 0.300 111 T C 0.653 175.343 174.700 -0.017 0.000 0.989 111 T CA 0.079 62.177 62.100 -0.004 0.000 1.139 111 T CB 0.956 69.822 68.868 -0.004 0.000 0.920 111 T HN 0.170 nan 8.240 nan 0.000 0.537 112 N N 3.793 122.480 118.700 -0.022 0.000 2.521 112 N HA 0.146 4.886 4.740 0.000 0.000 0.236 112 N C -0.601 174.898 175.510 -0.017 0.000 1.067 112 N CA -0.316 52.725 53.050 -0.015 0.000 0.939 112 N CB 0.226 38.713 38.487 0.000 0.000 1.201 112 N HN 0.271 nan 8.380 nan 0.000 0.511 113 V N 3.248 123.150 119.914 -0.019 0.000 2.572 113 V HA 0.027 4.147 4.120 0.000 0.000 0.291 113 V C 0.782 176.858 176.094 -0.030 0.000 1.039 113 V CA -0.197 62.088 62.300 -0.025 0.000 1.055 113 V CB 0.633 32.444 31.823 -0.021 0.000 0.969 113 V HN 0.748 nan 8.190 nan 0.000 0.482 114 D N 3.342 123.720 120.400 -0.038 0.000 2.689 114 D HA -0.245 4.395 4.640 0.000 0.000 0.237 114 D C 1.279 177.555 176.300 -0.040 0.000 1.148 114 D CA 0.947 54.920 54.000 -0.044 0.000 0.656 114 D CB -0.586 40.188 40.800 -0.042 0.000 1.050 114 D HN 0.806 nan 8.370 nan 0.000 0.426 115 A N 0.424 123.228 122.820 -0.027 0.000 1.917 115 A HA 0.021 4.341 4.320 0.000 0.000 0.219 115 A C 2.507 180.125 177.584 0.056 0.000 1.182 115 A CA 2.540 54.594 52.037 0.029 0.000 0.633 115 A CB -0.765 18.260 19.000 0.041 0.000 0.819 115 A HN 0.795 nan 8.150 nan 0.000 0.448 116 A N -0.321 122.498 122.820 -0.000 0.000 2.070 116 A HA -0.156 4.164 4.320 0.000 0.000 0.220 116 A C 1.809 179.354 177.584 -0.065 0.000 1.159 116 A CA 1.614 53.646 52.037 -0.009 0.000 0.656 116 A CB -0.526 18.420 19.000 -0.091 0.000 0.800 116 A HN 0.551 nan 8.150 nan 0.000 0.453 117 N N -0.488 118.166 118.700 -0.077 0.000 2.457 117 N HA -0.049 4.691 4.740 0.000 0.000 0.180 117 N C 1.486 176.914 175.510 -0.137 0.000 1.050 117 N CA 0.774 53.766 53.050 -0.097 0.000 0.906 117 N CB -0.247 38.196 38.487 -0.074 0.000 0.968 117 N HN 0.448 nan 8.380 nan 0.000 0.445 118 L N 2.649 123.775 121.223 -0.161 0.000 1.989 118 L HA -0.036 4.304 4.340 0.000 0.000 0.211 118 L C -1.005 175.703 176.870 -0.270 0.000 1.071 118 L CA 2.066 56.788 54.840 -0.197 0.000 0.749 118 L CB -1.374 40.572 42.059 -0.189 0.000 0.890 118 L HN 0.084 nan 8.230 nan 0.000 0.431 119 P HA -0.048 nan 4.420 nan 0.000 0.249 119 P C -0.122 177.029 177.300 -0.247 0.000 1.229 119 P CA 0.285 63.165 63.100 -0.367 0.000 0.788 119 P CB -0.072 31.284 31.700 -0.573 0.000 1.072 120 R N 2.058 122.430 120.500 -0.214 0.000 2.590 120 R HA 0.162 4.502 4.340 0.000 0.000 0.274 120 R C -1.423 174.759 176.300 -0.197 0.000 1.061 120 R CA -0.989 54.997 56.100 -0.191 0.000 1.081 120 R CB -0.118 30.094 30.300 -0.146 0.000 0.984 120 R HN 0.109 nan 8.270 nan 0.000 0.448 121 P HA 0.116 nan 4.420 nan 0.000 0.254 121 P C 0.038 176.994 177.300 -0.572 0.000 1.620 121 P CA 0.276 63.172 63.100 -0.341 0.000 1.050 121 P CB 0.322 31.828 31.700 -0.322 0.000 1.539 122 L N -0.024 120.942 121.223 -0.427 0.000 2.653 122 L HA 0.195 4.535 4.340 0.000 0.000 0.231 122 L C 0.738 177.554 176.870 -0.090 0.000 1.153 122 L CA -0.274 54.319 54.840 -0.412 0.000 0.933 122 L CB 0.335 42.283 42.059 -0.185 0.000 1.175 122 L HN -0.104 nan 8.230 nan 0.000 0.473 123 V N -5.114 114.755 119.914 -0.075 0.000 2.962 123 V HA 0.385 4.505 4.120 0.000 0.000 0.313 123 V C 0.611 176.923 176.094 0.363 0.000 1.099 123 V CA -1.011 61.429 62.300 0.233 0.000 0.971 123 V CB 2.197 34.109 31.823 0.150 0.000 1.028 123 V HN 0.036 nan 8.190 nan 0.000 0.430 124 K N 0.892 121.601 120.400 0.515 0.000 2.217 124 K HA 0.119 4.439 4.320 0.000 0.000 0.202 124 K C -0.268 176.583 176.600 0.417 0.000 1.051 124 K CA 1.540 58.109 56.287 0.471 0.000 0.952 124 K CB 0.183 32.888 32.500 0.342 0.000 0.736 124 K HN 0.749 nan 8.250 nan 0.000 0.453 125 W N -0.330 121.064 121.300 0.157 0.000 3.479 125 W HA 0.324 4.984 4.660 0.000 0.000 0.304 125 W C -1.753 174.859 176.519 0.156 0.000 1.243 125 W CA -0.627 56.789 57.345 0.120 0.000 1.202 125 W CB 1.815 31.321 29.460 0.077 0.000 1.346 125 W HN -0.349 nan 8.180 nan 0.000 0.539 126 S N 4.695 120.082 115.700 -0.521 0.000 2.572 126 S HA 0.737 5.207 4.470 0.000 0.000 0.274 126 S C -2.288 171.983 174.600 -0.549 0.000 1.150 126 S CA -0.342 57.651 58.200 -0.345 0.000 0.944 126 S CB 0.795 63.940 63.200 -0.092 0.000 1.071 126 S HN 0.534 nan 8.310 nan 0.000 0.479 127 Y N 2.007 121.924 120.300 -0.638 0.000 2.565 127 Y HA 0.518 5.068 4.550 0.000 0.000 0.330 127 Y C -1.410 174.295 175.900 -0.325 0.000 1.150 127 Y CA -0.674 57.059 58.100 -0.611 0.000 1.055 127 Y CB 1.575 39.352 38.460 -1.138 0.000 1.337 127 Y HN 0.707 nan 8.280 nan 0.000 0.457 128 E N 6.188 125.914 120.200 -0.789 0.000 2.218 128 E HA 0.514 4.864 4.350 0.000 0.000 0.263 128 E C -2.855 173.232 176.600 -0.855 0.000 0.879 128 E CA -2.532 53.509 56.400 -0.599 0.000 0.762 128 E CB 1.894 31.379 29.700 -0.358 0.000 1.166 128 E HN 0.296 nan 8.360 nan 0.000 0.415 129 P HA 0.098 nan 4.420 nan 0.000 0.271 129 P C -0.308 176.878 177.300 -0.189 0.000 1.218 129 P CA -0.006 62.970 63.100 -0.206 0.000 0.780 129 P CB 1.154 32.866 31.700 0.019 0.000 0.901 130 A N 1.425 124.195 122.820 -0.083 0.000 2.206 130 A HA 0.216 4.536 4.320 0.000 0.000 0.211 130 A C 0.650 178.205 177.584 -0.048 0.000 1.158 130 A CA 1.074 53.072 52.037 -0.064 0.000 0.761 130 A CB -0.586 18.407 19.000 -0.012 0.000 0.801 130 A HN 0.635 nan 8.150 nan 0.000 0.473 131 S N -4.079 111.598 115.700 -0.039 0.000 2.587 131 S HA 0.616 5.086 4.470 0.000 0.000 0.269 131 S C 0.622 175.186 174.600 -0.060 0.000 1.154 131 S CA -0.058 58.115 58.200 -0.044 0.000 0.824 131 S CB 1.037 64.227 63.200 -0.017 0.000 1.118 131 S HN 0.932 nan 8.310 nan 0.000 0.462 132 A N 1.408 124.183 122.820 -0.076 0.000 1.902 132 A HA 0.275 4.595 4.320 0.000 0.000 0.217 132 A C 2.260 179.808 177.584 -0.061 0.000 1.181 132 A CA 1.973 53.947 52.037 -0.106 0.000 0.623 132 A CB -1.547 17.400 19.000 -0.089 0.000 0.818 132 A HN 1.722 nan 8.150 nan 0.000 0.443 133 A N -0.688 122.122 122.820 -0.015 0.000 2.121 133 A HA -0.116 4.204 4.320 0.000 0.000 0.218 133 A C 1.898 179.504 177.584 0.037 0.000 1.154 133 A CA 1.526 53.572 52.037 0.015 0.000 0.679 133 A CB -0.433 18.578 19.000 0.019 0.000 0.795 133 A HN 0.676 nan 8.150 nan 0.000 0.458 134 E N -0.115 120.112 120.200 0.045 0.000 2.427 134 E HA -0.040 4.310 4.350 0.000 0.000 0.196 134 E C 1.516 178.193 176.600 0.128 0.000 1.028 134 E CA 0.634 57.102 56.400 0.113 0.000 0.864 134 E CB -0.042 29.746 29.700 0.147 0.000 0.813 134 E HN 0.359 nan 8.360 nan 0.000 0.514 135 V N 1.620 121.553 119.914 0.032 0.000 2.287 135 V HA -0.193 3.927 4.120 0.000 0.000 0.248 135 V C -0.796 175.347 176.094 0.082 0.000 1.053 135 V CA 2.061 64.356 62.300 -0.008 0.000 1.027 135 V CB -1.211 30.472 31.823 -0.233 0.000 0.646 135 V HN 0.292 nan 8.190 nan 0.000 0.447 136 P HA -0.193 nan 4.420 nan 0.000 0.215 136 P C 1.726 179.131 177.300 0.175 0.000 1.153 136 P CA 1.607 64.807 63.100 0.166 0.000 0.853 136 P CB -0.211 31.594 31.700 0.174 0.000 0.788 137 H N -0.166 118.949 119.070 0.075 0.000 2.353 137 H HA -0.112 4.444 4.556 0.000 0.000 0.300 137 H C 1.746 177.119 175.328 0.075 0.000 1.090 137 H CA 1.679 57.761 56.048 0.057 0.000 1.327 137 H CB -0.254 29.530 29.762 0.036 0.000 1.383 137 H HN -0.027 nan 8.280 nan 0.000 0.508 138 A N 0.984 123.837 122.820 0.055 0.000 1.933 138 A HA -0.201 4.119 4.320 0.000 0.000 0.218 138 A C 2.457 180.122 177.584 0.136 0.000 1.175 138 A CA 1.773 53.884 52.037 0.122 0.000 0.628 138 A CB -0.678 18.536 19.000 0.356 0.000 0.814 138 A HN 0.494 nan 8.150 nan 0.000 0.444 139 M N -0.204 119.475 119.600 0.133 0.000 2.117 139 M HA -0.083 4.397 4.480 0.000 0.000 0.262 139 M C 2.289 178.626 176.300 0.062 0.000 1.065 139 M CA 2.026 57.414 55.300 0.147 0.000 1.114 139 M CB -0.546 32.161 32.600 0.178 0.000 1.361 139 M HN 0.403 nan 8.290 nan 0.000 0.408 140 S N -0.134 115.576 115.700 0.016 0.000 2.359 140 S HA -0.193 4.277 4.470 0.000 0.000 0.224 140 S C 2.058 176.588 174.600 -0.116 0.000 1.035 140 S CA 1.706 59.889 58.200 -0.028 0.000 1.018 140 S CB -0.208 63.030 63.200 0.064 0.000 0.876 140 S HN 0.615 nan 8.310 nan 0.000 0.448 141 R N 0.679 121.023 120.500 -0.261 0.000 2.091 141 R HA -0.051 4.289 4.340 0.000 0.000 0.238 141 R C 2.676 178.712 176.300 -0.439 0.000 1.136 141 R CA 1.399 57.197 56.100 -0.503 0.000 0.959 141 R CB -0.663 29.066 30.300 -0.952 0.000 0.856 141 R HN 0.519 nan 8.270 nan 0.000 0.437 142 A N 1.285 124.019 122.820 -0.144 0.000 1.877 142 A HA -0.154 4.166 4.320 0.000 0.000 0.216 142 A C 2.181 179.777 177.584 0.021 0.000 1.186 142 A CA 1.290 53.397 52.037 0.116 0.000 0.620 142 A CB -0.528 18.647 19.000 0.292 0.000 0.822 142 A HN 0.183 nan 8.150 nan 0.000 0.443 143 I N -0.909 119.622 120.570 -0.065 0.000 2.127 143 I HA -0.303 3.867 4.170 0.000 0.000 0.241 143 I C 2.508 178.494 176.117 -0.220 0.000 1.075 143 I CA 1.572 62.780 61.300 -0.154 0.000 1.334 143 I CB -0.548 37.270 38.000 -0.303 0.000 1.040 143 I HN 0.413 nan 8.210 nan 0.000 0.405 144 H N -0.222 118.814 119.070 -0.055 0.000 2.395 144 H HA -0.033 4.523 4.556 0.000 0.000 0.299 144 H C 2.352 177.621 175.328 -0.099 0.000 1.070 144 H CA 1.141 57.136 56.048 -0.089 0.000 1.356 144 H CB -0.206 29.480 29.762 -0.125 0.000 1.401 144 H HN 0.253 nan 8.280 nan 0.000 0.524 145 M N 0.500 120.073 119.600 -0.044 0.000 2.159 145 M HA -0.065 4.415 4.480 0.000 0.000 0.263 145 M C 2.514 178.836 176.300 0.037 0.000 1.063 145 M CA 1.048 56.322 55.300 -0.043 0.000 1.110 145 M CB -1.001 31.538 32.600 -0.103 0.000 1.374 145 M HN 0.220 nan 8.290 nan 0.000 0.411 146 A N -0.914 121.941 122.820 0.059 0.000 1.968 146 A HA -0.054 4.266 4.320 0.000 0.000 0.217 146 A C 2.398 180.008 177.584 0.043 0.000 1.169 146 A CA 1.816 53.899 52.037 0.077 0.000 0.638 146 A CB -0.479 18.578 19.000 0.095 0.000 0.812 146 A HN 0.489 nan 8.150 nan 0.000 0.446 147 S N -0.781 114.937 115.700 0.030 0.000 2.486 147 S HA 0.242 4.712 4.470 0.000 0.000 0.220 147 S C 0.796 175.397 174.600 0.002 0.000 1.011 147 S CA -0.045 58.169 58.200 0.023 0.000 0.921 147 S CB -0.160 63.061 63.200 0.034 0.000 0.785 147 S HN 0.530 nan 8.310 nan 0.000 0.517 148 M N 1.903 121.499 119.600 -0.005 0.000 2.243 148 M HA 0.298 4.779 4.480 0.000 0.000 0.341 148 M C 0.334 176.597 176.300 -0.060 0.000 1.130 148 M CA -0.391 54.888 55.300 -0.035 0.000 1.162 148 M CB 0.411 32.986 32.600 -0.041 0.000 1.497 148 M HN 0.147 nan 8.290 nan 0.000 0.456 149 A N 4.803 127.575 122.820 -0.080 0.000 2.511 149 A HA 0.366 4.686 4.320 0.000 0.000 0.242 149 A C -2.228 175.277 177.584 -0.132 0.000 1.069 149 A CA -1.081 50.881 52.037 -0.125 0.000 0.763 149 A CB -0.802 18.131 19.000 -0.111 0.000 1.001 149 A HN 0.505 nan 8.150 nan 0.000 0.498 150 P HA 0.150 nan 4.420 nan 0.000 0.282 150 P C -0.520 176.619 177.300 -0.268 0.000 1.262 150 P CA -0.116 62.761 63.100 -0.372 0.000 0.773 150 P CB 0.643 32.032 31.700 -0.518 0.000 0.879 151 Q N 1.110 120.779 119.800 -0.218 0.000 2.474 151 Q HA 0.513 4.853 4.340 0.000 0.000 0.256 151 Q C 0.703 176.680 176.000 -0.038 0.000 1.048 151 Q CA 0.338 56.097 55.803 -0.074 0.000 0.922 151 Q CB 0.445 29.170 28.738 -0.022 0.000 1.288 151 Q HN 0.746 nan 8.270 nan 0.000 0.484 152 G N 0.695 109.504 108.800 0.015 0.000 2.349 152 G HA2 0.293 4.253 3.960 0.000 0.000 0.294 152 G HA3 0.293 4.253 3.960 0.000 0.000 0.294 152 G C -3.103 171.871 174.900 0.123 0.000 1.380 152 G CA -0.903 44.218 45.100 0.034 0.000 0.811 152 G HN 0.368 nan 8.290 nan 0.000 0.519 153 P HA 0.498 nan 4.420 nan 0.000 0.277 153 P C -0.083 177.370 177.300 0.256 0.000 1.240 153 P CA -0.262 62.961 63.100 0.206 0.000 0.798 153 P CB 1.674 33.500 31.700 0.210 0.000 0.979 154 V N -0.015 120.045 119.914 0.242 0.000 3.130 154 V HA 0.675 4.795 4.120 0.000 0.000 0.310 154 V C -1.686 174.583 176.094 0.293 0.000 1.158 154 V CA -1.047 61.435 62.300 0.304 0.000 1.029 154 V CB 2.241 34.284 31.823 0.367 0.000 1.057 154 V HN 0.492 nan 8.190 nan 0.000 0.436 155 Y N 2.318 122.674 120.300 0.094 0.000 2.442 155 Y HA 0.847 5.397 4.550 0.000 0.000 0.344 155 Y C -1.384 174.492 175.900 -0.041 0.000 0.976 155 Y CA -1.228 56.873 58.100 0.003 0.000 1.040 155 Y CB 2.112 40.546 38.460 -0.042 0.000 1.228 155 Y HN 0.929 nan 8.280 nan 0.000 0.451 156 L N 5.067 126.006 121.223 -0.474 0.000 2.439 156 L HA 0.597 4.937 4.340 0.000 0.000 0.270 156 L C -1.187 175.336 176.870 -0.579 0.000 0.972 156 L CA -0.201 54.420 54.840 -0.364 0.000 0.836 156 L CB 1.977 43.997 42.059 -0.065 0.000 1.255 156 L HN 0.569 nan 8.230 nan 0.000 0.404 157 S N 4.125 119.540 115.700 -0.476 0.000 2.442 157 S HA 0.826 5.296 4.470 0.000 0.000 0.297 157 S C -1.012 173.464 174.600 -0.207 0.000 1.131 157 S CA -0.432 57.563 58.200 -0.342 0.000 1.092 157 S CB 0.892 63.949 63.200 -0.238 0.000 0.998 157 S HN 0.462 nan 8.310 nan 0.000 0.478 158 V N 7.661 127.498 119.914 -0.128 0.000 2.443 158 V HA 0.414 4.534 4.120 0.000 0.000 0.293 158 V C -2.436 173.618 176.094 -0.066 0.000 1.021 158 V CA -2.021 60.197 62.300 -0.135 0.000 0.848 158 V CB 1.546 33.284 31.823 -0.142 0.000 0.998 158 V HN 0.729 nan 8.190 nan 0.000 0.424 159 P HA -0.021 nan 4.420 nan 0.000 0.264 159 P C 0.286 177.569 177.300 -0.030 0.000 1.183 159 P CA 0.143 63.182 63.100 -0.100 0.000 0.763 159 P CB 0.221 31.816 31.700 -0.175 0.000 0.807 160 Y N 2.924 123.278 120.300 0.090 0.000 2.352 160 Y HA -0.156 4.394 4.550 0.000 0.000 0.292 160 Y C 1.441 177.473 175.900 0.219 0.000 1.136 160 Y CA 1.413 59.664 58.100 0.252 0.000 1.227 160 Y CB -1.362 37.242 38.460 0.240 0.000 0.991 160 Y HN 0.289 nan 8.280 nan 0.000 0.545 161 D N -0.509 119.848 120.400 -0.071 0.000 2.363 161 D HA -0.142 4.498 4.640 0.000 0.000 0.220 161 D C 0.717 177.018 176.300 0.002 0.000 0.994 161 D CA 0.796 54.799 54.000 0.004 0.000 0.890 161 D CB -0.379 40.321 40.800 -0.167 0.000 0.906 161 D HN 0.373 nan 8.370 nan 0.000 0.530 162 D N 0.478 120.793 120.400 -0.141 0.000 2.183 162 D HA -0.092 4.548 4.640 0.000 0.000 0.203 162 D C 1.626 177.841 176.300 -0.142 0.000 0.969 162 D CA 0.604 54.459 54.000 -0.241 0.000 0.842 162 D CB -0.529 39.988 40.800 -0.471 0.000 0.957 162 D HN 0.429 nan 8.370 nan 0.000 0.484 163 W N 1.365 122.771 121.300 0.178 0.000 2.363 163 W HA -0.091 4.569 4.660 0.000 0.000 0.296 163 W C 1.668 178.314 176.519 0.211 0.000 1.212 163 W CA 0.425 57.917 57.345 0.244 0.000 1.260 163 W CB -0.082 29.593 29.460 0.357 0.000 1.131 163 W HN -0.114 nan 8.180 nan 0.000 0.530 164 D N -0.146 120.461 120.400 0.345 0.000 2.355 164 D HA -0.030 4.610 4.640 0.000 0.000 0.218 164 D C 0.898 177.289 176.300 0.151 0.000 1.004 164 D CA 0.748 54.881 54.000 0.222 0.000 0.880 164 D CB -0.163 40.741 40.800 0.175 0.000 0.911 164 D HN -0.044 nan 8.370 nan 0.000 0.528 165 K N 1.354 121.828 120.400 0.124 0.000 2.180 165 K HA 0.099 4.419 4.320 0.000 0.000 0.251 165 K C 0.027 176.682 176.600 0.091 0.000 1.014 165 K CA -0.394 55.940 56.287 0.078 0.000 0.913 165 K CB 0.438 32.959 32.500 0.035 0.000 1.008 165 K HN -0.092 nan 8.250 nan 0.000 0.490 166 D N 0.648 121.090 120.400 0.070 0.000 2.425 166 D HA 0.143 4.783 4.640 0.000 0.000 0.247 166 D C 0.052 176.397 176.300 0.075 0.000 1.147 166 D CA 0.227 54.271 54.000 0.074 0.000 0.879 166 D CB 0.652 41.486 40.800 0.056 0.000 1.179 166 D HN 0.455 nan 8.370 nan 0.000 0.456 167 A N 2.044 124.921 122.820 0.096 0.000 2.287 167 A HA 0.208 4.528 4.320 0.000 0.000 0.273 167 A C 0.222 177.850 177.584 0.072 0.000 1.091 167 A CA -0.573 51.520 52.037 0.094 0.000 0.817 167 A CB 0.443 19.523 19.000 0.134 0.000 1.069 167 A HN 0.478 nan 8.150 nan 0.000 0.492 168 D N 0.712 121.147 120.400 0.058 0.000 2.371 168 D HA 0.229 4.869 4.640 0.000 0.000 0.256 168 D C -1.624 174.707 176.300 0.053 0.000 1.193 168 D CA -1.590 52.436 54.000 0.043 0.000 0.881 168 D CB 0.964 41.776 40.800 0.021 0.000 1.143 168 D HN 0.087 nan 8.370 nan 0.000 0.473 169 P HA -0.126 nan 4.420 nan 0.000 0.219 169 P C 0.982 178.353 177.300 0.119 0.000 1.146 169 P CA 0.831 63.986 63.100 0.092 0.000 0.808 169 P CB 0.256 32.007 31.700 0.085 0.000 0.779 170 Q N -0.972 118.869 119.800 0.067 0.000 2.515 170 Q HA 0.032 4.372 4.340 0.000 0.000 0.212 170 Q C 1.774 177.709 176.000 -0.108 0.000 0.970 170 Q CA 0.726 56.543 55.803 0.024 0.000 0.941 170 Q CB -0.689 28.077 28.738 0.047 0.000 0.998 170 Q HN 0.269 nan 8.270 nan 0.000 0.518 171 S N 0.586 116.223 115.700 -0.105 0.000 2.500 171 S HA -0.124 4.346 4.470 0.000 0.000 0.239 171 S C 1.569 175.849 174.600 -0.534 0.000 0.989 171 S CA 0.731 58.816 58.200 -0.191 0.000 0.951 171 S CB -0.349 62.811 63.200 -0.066 0.000 0.759 171 S HN 0.607 nan 8.310 nan 0.000 0.523 172 H N 0.581 119.308 119.070 -0.572 0.000 2.456 172 H HA -0.070 4.486 4.556 0.000 0.000 0.296 172 H C 1.344 176.258 175.328 -0.690 0.000 1.079 172 H CA 1.398 56.857 56.048 -0.981 0.000 1.322 172 H CB -0.685 28.803 29.762 -0.457 0.000 1.388 172 H HN 0.519 nan 8.280 nan 0.000 0.538 173 H N 0.917 119.502 119.070 -0.808 0.000 2.521 173 H HA 0.010 4.566 4.556 0.000 0.000 0.286 173 H C 2.426 177.629 175.328 -0.208 0.000 1.034 173 H CA 0.894 56.679 56.048 -0.439 0.000 1.278 173 H CB 0.320 29.841 29.762 -0.402 0.000 1.386 173 H HN 0.397 nan 8.280 nan 0.000 0.567 174 L N -0.446 120.693 121.223 -0.142 0.000 2.156 174 L HA -0.120 4.220 4.340 0.000 0.000 0.208 174 L C 2.148 179.124 176.870 0.176 0.000 1.095 174 L CA 0.407 55.265 54.840 0.031 0.000 0.770 174 L CB -0.429 41.661 42.059 0.051 0.000 0.914 174 L HN 0.067 nan 8.230 nan 0.000 0.439 175 F N 0.517 120.539 119.950 0.120 0.000 2.095 175 F HA -0.222 4.305 4.527 0.000 0.000 0.298 175 F C 1.889 177.762 175.800 0.122 0.000 1.104 175 F CA 1.101 59.172 58.000 0.117 0.000 1.232 175 F CB -0.612 38.454 39.000 0.110 0.000 0.987 175 F HN 0.128 nan 8.300 nan 0.000 0.475 176 D N -0.508 120.079 120.400 0.310 0.000 2.424 176 D HA 0.069 4.709 4.640 0.000 0.000 0.220 176 D C 0.296 176.714 176.300 0.197 0.000 1.150 176 D CA -0.059 54.077 54.000 0.226 0.000 0.831 176 D CB -0.022 40.892 40.800 0.190 0.000 0.981 176 D HN 0.104 nan 8.370 nan 0.000 0.500 177 R N 1.087 121.704 120.500 0.195 0.000 2.538 177 R HA 0.012 4.352 4.340 0.000 0.000 0.282 177 R C 0.469 176.860 176.300 0.152 0.000 1.009 177 R CA 0.397 56.577 56.100 0.133 0.000 1.063 177 R CB 0.457 30.801 30.300 0.072 0.000 0.945 177 R HN 0.191 nan 8.270 nan 0.000 0.414 178 H N 3.092 122.169 119.070 0.012 0.000 2.504 178 H HA 0.289 4.845 4.556 0.000 0.000 0.322 178 H C -1.276 174.008 175.328 -0.073 0.000 1.055 178 H CA -0.605 55.447 56.048 0.007 0.000 1.231 178 H CB 1.111 30.886 29.762 0.021 0.000 1.417 178 H HN 0.207 nan 8.280 nan 0.000 0.472 179 V N 4.681 124.306 119.914 -0.481 0.000 2.407 179 V HA 0.170 4.290 4.120 0.000 0.000 0.291 179 V C 0.123 176.008 176.094 -0.348 0.000 1.018 179 V CA -0.615 61.467 62.300 -0.362 0.000 0.842 179 V CB 1.414 32.970 31.823 -0.445 0.000 0.996 179 V HN 0.743 nan 8.190 nan 0.000 0.426 180 S N 2.855 118.445 115.700 -0.183 0.000 2.472 180 S HA 0.558 5.028 4.470 0.000 0.000 0.303 180 S C 0.556 175.122 174.600 -0.057 0.000 1.099 180 S CA -0.061 58.083 58.200 -0.094 0.000 1.077 180 S CB 1.560 64.789 63.200 0.048 0.000 1.031 180 S HN 0.925 nan 8.310 nan 0.000 0.487 181 S N 2.386 118.058 115.700 -0.048 0.000 2.741 181 S HA 0.204 4.674 4.470 0.000 0.000 0.247 181 S C 0.218 174.803 174.600 -0.025 0.000 1.050 181 S CA -0.464 57.712 58.200 -0.040 0.000 1.025 181 S CB 0.349 63.519 63.200 -0.051 0.000 0.897 181 S HN 0.488 nan 8.310 nan 0.000 0.508 182 S N 2.731 118.427 115.700 -0.007 0.000 4.139 182 S HA 0.427 4.897 4.470 0.000 0.000 0.215 182 S C 0.201 174.802 174.600 0.001 0.000 1.390 182 S CA -0.401 57.800 58.200 0.002 0.000 0.885 182 S CB -1.134 62.080 63.200 0.023 0.000 1.560 182 S HN 0.639 nan 8.310 nan 0.000 0.449 183 V N 2.536 122.445 119.914 -0.009 0.000 2.864 183 V HA 0.992 5.112 4.120 0.000 0.000 0.314 183 V C -0.685 175.403 176.094 -0.011 0.000 1.073 183 V CA -1.341 60.953 62.300 -0.009 0.000 0.956 183 V CB 1.885 33.699 31.823 -0.015 0.000 1.023 183 V HN 0.699 nan 8.190 nan 0.000 0.435 184 R N 2.352 122.847 120.500 -0.008 0.000 2.799 184 R HA 0.764 5.104 4.340 0.000 0.000 0.270 184 R C -1.025 175.270 176.300 -0.008 0.000 1.010 184 R CA -1.014 55.081 56.100 -0.008 0.000 0.916 184 R CB 0.704 31.001 30.300 -0.004 0.000 1.228 184 R HN 0.817 nan 8.270 nan 0.000 0.469 185 L N 2.143 123.361 121.223 -0.009 0.000 2.525 185 L HA 0.148 4.488 4.340 0.000 0.000 0.278 185 L C -0.358 176.508 176.870 -0.006 0.000 1.218 185 L CA 0.507 55.342 54.840 -0.008 0.000 0.878 185 L CB -0.130 41.924 42.059 -0.008 0.000 1.127 185 L HN 0.920 nan 8.230 nan 0.000 0.492 186 N N 2.067 120.763 118.700 -0.006 0.000 2.329 186 N HA -0.086 4.654 4.740 0.000 0.000 0.237 186 N C 0.433 175.941 175.510 -0.003 0.000 1.258 186 N CA 0.263 53.310 53.050 -0.005 0.000 0.866 186 N CB 0.253 38.737 38.487 -0.005 0.000 1.102 186 N HN 0.609 nan 8.380 nan 0.000 0.440 187 D N -0.137 120.262 120.400 -0.002 0.000 2.104 187 D HA -0.255 4.385 4.640 0.000 0.000 0.194 187 D C 1.613 177.912 176.300 -0.001 0.000 0.994 187 D CA 1.494 55.494 54.000 -0.001 0.000 0.830 187 D CB -0.375 40.425 40.800 -0.001 0.000 0.959 187 D HN 0.850 nan 8.370 nan 0.000 0.452 188 Q N 0.462 120.261 119.800 -0.001 0.000 2.061 188 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 188 Q C 1.177 177.176 176.000 -0.001 0.000 0.984 188 Q CA 1.701 57.504 55.803 -0.001 0.000 0.846 188 Q CB 0.122 28.858 28.738 -0.002 0.000 0.902 188 Q HN 0.113 nan 8.270 nan 0.000 0.421 189 D N 0.279 120.677 120.400 -0.003 0.000 2.194 189 D HA -0.104 4.536 4.640 0.000 0.000 0.204 189 D C 1.879 178.177 176.300 -0.003 0.000 0.964 189 D CA 0.454 54.452 54.000 -0.003 0.000 0.846 189 D CB -0.088 40.709 40.800 -0.005 0.000 0.962 189 D HN 0.243 nan 8.370 nan 0.000 0.490 190 L N 1.250 122.472 121.223 -0.002 0.000 2.083 190 L HA -0.128 4.212 4.340 0.000 0.000 0.209 190 L C 1.319 178.189 176.870 0.001 0.000 1.083 190 L CA 1.752 56.591 54.840 -0.001 0.000 0.752 190 L CB -0.371 41.687 42.059 -0.001 0.000 0.899 190 L HN -0.192 nan 8.230 nan 0.000 0.433 191 D N -0.412 119.989 120.400 0.001 0.000 2.144 191 D HA -0.157 4.483 4.640 0.000 0.000 0.200 191 D C 2.330 178.632 176.300 0.003 0.000 0.978 191 D CA 1.572 55.573 54.000 0.002 0.000 0.833 191 D CB -0.076 40.726 40.800 0.002 0.000 0.961 191 D HN 0.418 nan 8.370 nan 0.000 0.470 192 I N 0.378 120.949 120.570 0.001 0.000 2.226 192 I HA -0.244 3.926 4.170 0.000 0.000 0.245 192 I C 2.311 178.429 176.117 0.002 0.000 1.100 192 I CA 0.518 61.819 61.300 0.002 0.000 1.374 192 I CB -0.115 37.885 38.000 0.000 0.000 1.057 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.455 121.679 121.223 0.001 0.000 2.017 193 L HA -0.151 4.189 4.340 0.000 0.000 0.208 193 L C 2.421 179.294 176.870 0.005 0.000 1.073 193 L CA 1.791 56.632 54.840 0.002 0.000 0.745 193 L CB -0.575 41.484 42.059 -0.000 0.000 0.894 193 L HN -0.023 nan 8.230 nan 0.000 0.432 194 V N -0.064 119.853 119.914 0.005 0.000 2.287 194 V HA -0.350 3.770 4.120 0.000 0.000 0.248 194 V C 2.635 178.735 176.094 0.009 0.000 1.053 194 V CA 2.266 64.571 62.300 0.008 0.000 1.027 194 V CB -0.713 31.114 31.823 0.008 0.000 0.646 194 V HN 0.482 nan 8.190 nan 0.000 0.447 195 K N 0.025 120.430 120.400 0.008 0.000 2.097 195 K HA -0.130 4.190 4.320 0.000 0.000 0.206 195 K C 2.263 178.868 176.600 0.010 0.000 1.049 195 K CA 1.453 57.745 56.287 0.008 0.000 0.933 195 K CB -0.400 32.104 32.500 0.007 0.000 0.717 195 K HN 0.500 nan 8.250 nan 0.000 0.442 196 A N 1.165 123.990 122.820 0.009 0.000 1.930 196 A HA -0.097 4.223 4.320 0.000 0.000 0.217 196 A C 2.072 179.665 177.584 0.014 0.000 1.175 196 A CA 1.105 53.148 52.037 0.011 0.000 0.627 196 A CB -0.503 18.502 19.000 0.008 0.000 0.815 196 A HN 0.138 nan 8.150 nan 0.000 0.443 197 L N -0.340 120.891 121.223 0.013 0.000 2.056 197 L HA -0.181 4.159 4.340 0.000 0.000 0.207 197 L C 2.208 179.090 176.870 0.019 0.000 1.078 197 L CA 1.203 56.053 54.840 0.016 0.000 0.749 197 L CB -0.663 41.405 42.059 0.015 0.000 0.901 197 L HN 0.327 nan 8.230 nan 0.000 0.433 198 N N -0.393 118.317 118.700 0.017 0.000 2.223 198 N HA -0.128 4.612 4.740 0.000 0.000 0.185 198 N C 1.896 177.417 175.510 0.018 0.000 1.016 198 N CA 1.299 54.360 53.050 0.017 0.000 0.863 198 N CB -0.151 38.345 38.487 0.015 0.000 0.983 198 N HN 0.164 nan 8.380 nan 0.000 0.429 199 S N 0.043 115.753 115.700 0.017 0.000 2.528 199 S HA 0.235 4.705 4.470 0.000 0.000 0.219 199 S C 0.821 175.433 174.600 0.020 0.000 0.985 199 S CA -0.246 57.964 58.200 0.016 0.000 0.914 199 S CB 0.073 63.281 63.200 0.014 0.000 0.776 199 S HN 0.425 nan 8.310 nan 0.000 0.526 200 A N 1.924 124.759 122.820 0.025 0.000 2.498 200 A HA 0.313 4.633 4.320 0.000 0.000 0.239 200 A C 1.384 178.989 177.584 0.035 0.000 1.068 200 A CA 0.181 52.237 52.037 0.032 0.000 0.766 200 A CB 0.190 19.214 19.000 0.039 0.000 1.003 200 A HN 0.409 nan 8.150 nan 0.000 0.497 201 S N 0.942 116.663 115.700 0.035 0.000 2.458 201 S HA 0.025 4.495 4.470 0.000 0.000 0.223 201 S C 0.645 175.272 174.600 0.045 0.000 1.019 201 S CA 0.839 59.058 58.200 0.032 0.000 0.937 201 S CB -0.096 63.116 63.200 0.020 0.000 0.788 201 S HN 0.795 nan 8.310 nan 0.000 0.511 202 N N 1.899 120.642 118.700 0.071 0.000 2.666 202 N HA 0.364 5.104 4.740 0.000 0.000 0.253 202 N C -3.279 172.380 175.510 0.249 0.000 1.621 202 N CA -1.618 51.507 53.050 0.125 0.000 0.785 202 N CB 1.335 39.848 38.487 0.045 0.000 1.332 202 N HN 0.144 nan 8.380 nan 0.000 0.514 203 P HA 0.339 nan 4.420 nan 0.000 0.272 203 P C -0.943 176.372 177.300 0.026 0.000 1.223 203 P CA -0.296 62.864 63.100 0.100 0.000 0.784 203 P CB 1.468 33.197 31.700 0.048 0.000 0.923 204 A N 2.557 125.295 122.820 -0.136 0.000 2.413 204 A HA 0.771 5.091 4.320 0.000 0.000 0.307 204 A C -0.698 176.811 177.584 -0.126 0.000 1.087 204 A CA -0.873 50.996 52.037 -0.281 0.000 0.750 204 A CB 1.073 19.670 19.000 -0.672 0.000 1.296 204 A HN 0.452 nan 8.150 nan 0.000 0.423 205 I N 1.156 121.664 120.570 -0.104 0.000 2.509 205 I HA 0.495 4.665 4.170 0.000 0.000 0.293 205 I C -0.968 175.117 176.117 -0.054 0.000 1.020 205 I CA -0.919 60.335 61.300 -0.076 0.000 1.088 205 I CB 2.153 40.091 38.000 -0.104 0.000 1.267 205 I HN 0.311 nan 8.210 nan 0.000 0.430 206 V N 7.018 126.923 119.914 -0.015 0.000 2.487 206 V HA 0.510 4.630 4.120 0.000 0.000 0.298 206 V C -0.253 175.850 176.094 0.015 0.000 1.028 206 V CA -0.537 61.769 62.300 0.010 0.000 0.860 206 V CB 1.914 33.770 31.823 0.056 0.000 0.991 206 V HN 0.463 nan 8.190 nan 0.000 0.427 207 L N 3.827 125.051 121.223 0.002 0.000 2.362 207 L HA 0.901 5.241 4.340 0.000 0.000 0.271 207 L C 0.644 177.545 176.870 0.052 0.000 1.002 207 L CA -0.305 54.555 54.840 0.034 0.000 0.818 207 L CB 2.077 44.165 42.059 0.048 0.000 1.298 207 L HN 0.770 nan 8.230 nan 0.000 0.420 208 G N 0.881 109.722 108.800 0.069 0.000 3.075 208 G HA2 0.536 4.496 3.960 0.000 0.000 0.253 208 G HA3 0.536 4.496 3.960 0.000 0.000 0.253 208 G C -2.224 172.735 174.900 0.099 0.000 1.353 208 G CA -0.821 44.325 45.100 0.078 0.000 1.051 208 G HN 0.401 nan 8.290 nan 0.000 0.553 209 P HA -0.000 nan 4.420 nan 0.000 0.221 209 P C 0.523 177.893 177.300 0.117 0.000 1.150 209 P CA 0.867 64.041 63.100 0.123 0.000 0.800 209 P CB 0.339 32.112 31.700 0.120 0.000 0.787 210 D N -0.265 120.203 120.400 0.114 0.000 2.310 210 D HA -0.058 4.582 4.640 0.000 0.000 0.212 210 D C 2.005 178.349 176.300 0.073 0.000 0.965 210 D CA 0.562 54.623 54.000 0.101 0.000 0.879 210 D CB -0.235 40.621 40.800 0.094 0.000 0.921 210 D HN 0.051 nan 8.370 nan 0.000 0.510 211 V N 1.127 121.088 119.914 0.078 0.000 2.270 211 V HA -0.242 3.878 4.120 0.000 0.000 0.245 211 V C 2.206 178.344 176.094 0.073 0.000 1.043 211 V CA 1.873 64.217 62.300 0.073 0.000 1.014 211 V CB -0.373 31.505 31.823 0.091 0.000 0.645 211 V HN 0.071 nan 8.190 nan 0.000 0.447 212 D N 0.006 120.458 120.400 0.086 0.000 2.144 212 D HA -0.124 4.516 4.640 0.000 0.000 0.199 212 D C 2.104 178.451 176.300 0.078 0.000 0.984 212 D CA 1.385 55.430 54.000 0.075 0.000 0.834 212 D CB -0.148 40.694 40.800 0.070 0.000 0.955 212 D HN 0.366 nan 8.370 nan 0.000 0.465 213 A N 0.340 123.215 122.820 0.091 0.000 1.940 213 A HA 0.006 4.326 4.320 0.000 0.000 0.219 213 A C 2.255 179.874 177.584 0.059 0.000 1.176 213 A CA 1.978 54.068 52.037 0.089 0.000 0.631 213 A CB -0.856 18.201 19.000 0.095 0.000 0.814 213 A HN 0.305 nan 8.150 nan 0.000 0.446 214 A N -1.272 121.577 122.820 0.047 0.000 2.208 214 A HA 0.165 4.485 4.320 0.000 0.000 0.209 214 A C 1.019 178.621 177.584 0.029 0.000 1.161 214 A CA 0.891 52.947 52.037 0.031 0.000 0.782 214 A CB -0.544 18.471 19.000 0.025 0.000 0.816 214 A HN 0.672 nan 8.150 nan 0.000 0.477 215 N N -2.129 116.591 118.700 0.034 0.000 2.727 215 N HA -0.232 4.508 4.740 0.000 0.000 0.249 215 N C 0.527 176.049 175.510 0.019 0.000 1.048 215 N CA 0.988 54.053 53.050 0.024 0.000 0.714 215 N CB -1.373 37.124 38.487 0.017 0.000 0.959 215 N HN 0.575 nan 8.380 nan 0.000 0.544 216 A N -0.766 122.071 122.820 0.029 0.000 2.275 216 A HA 0.133 4.453 4.320 0.000 0.000 0.212 216 A C 1.739 179.343 177.584 0.033 0.000 1.201 216 A CA 0.657 52.711 52.037 0.030 0.000 0.843 216 A CB -0.064 18.957 19.000 0.036 0.000 0.873 216 A HN 0.522 nan 8.150 nan 0.000 0.492 217 N N 1.756 120.471 118.700 0.025 0.000 2.036 217 N HA -0.195 4.545 4.740 0.000 0.000 0.195 217 N C 1.800 177.280 175.510 -0.051 0.000 1.037 217 N CA 2.012 55.067 53.050 0.009 0.000 0.855 217 N CB -0.485 37.987 38.487 -0.024 0.000 1.033 217 N HN 0.451 nan 8.380 nan 0.000 0.423 218 A N 0.824 123.609 122.820 -0.059 0.000 1.930 218 A HA -0.137 4.183 4.320 0.000 0.000 0.217 218 A C 1.664 179.224 177.584 -0.041 0.000 1.175 218 A CA 1.586 53.576 52.037 -0.078 0.000 0.627 218 A CB -0.457 18.511 19.000 -0.053 0.000 0.815 218 A HN 0.147 nan 8.150 nan 0.000 0.443 219 D N -0.378 120.018 120.400 -0.007 0.000 2.144 219 D HA -0.121 4.519 4.640 0.000 0.000 0.199 219 D C 1.998 178.320 176.300 0.037 0.000 0.984 219 D CA 1.377 55.385 54.000 0.013 0.000 0.834 219 D CB -0.546 40.264 40.800 0.018 0.000 0.955 219 D HN 0.449 nan 8.370 nan 0.000 0.465 220 C N 0.287 119.627 119.300 0.067 0.000 2.440 220 C HA -0.051 4.409 4.460 0.000 0.000 0.278 220 C C 2.934 178.054 174.990 0.217 0.000 1.295 220 C CA 0.026 59.131 59.018 0.145 0.000 1.738 220 C CB -0.758 27.109 27.740 0.211 0.000 1.987 220 C HN 0.165 nan 8.230 nan 0.000 0.492 221 V N 0.928 120.877 119.914 0.058 0.000 2.287 221 V HA -0.339 3.781 4.120 0.000 0.000 0.248 221 V C 2.448 178.545 176.094 0.006 0.000 1.053 221 V CA 2.445 64.671 62.300 -0.123 0.000 1.027 221 V CB -0.676 30.898 31.823 -0.414 0.000 0.646 221 V HN 0.621 nan 8.190 nan 0.000 0.447 222 M N -0.651 118.957 119.600 0.014 0.000 2.117 222 M HA -0.197 4.283 4.480 0.000 0.000 0.262 222 M C 2.139 178.472 176.300 0.056 0.000 1.065 222 M CA 2.017 57.338 55.300 0.036 0.000 1.114 222 M CB -0.213 32.401 32.600 0.022 0.000 1.361 222 M HN 0.369 nan 8.290 nan 0.000 0.408 223 L N 0.967 122.226 121.223 0.060 0.000 2.012 223 L HA -0.134 4.206 4.340 0.000 0.000 0.210 223 L C 2.494 179.404 176.870 0.065 0.000 1.073 223 L CA 2.416 57.290 54.840 0.057 0.000 0.748 223 L CB -1.093 40.998 42.059 0.052 0.000 0.891 223 L HN 0.362 nan 8.230 nan 0.000 0.431 224 A N -0.995 121.881 122.820 0.094 0.000 1.902 224 A HA -0.229 4.091 4.320 0.000 0.000 0.217 224 A C 2.166 179.820 177.584 0.117 0.000 1.181 224 A CA 1.846 53.939 52.037 0.093 0.000 0.623 224 A CB -0.639 18.442 19.000 0.135 0.000 0.818 224 A HN 0.631 nan 8.150 nan 0.000 0.443 225 E N -0.708 119.575 120.200 0.138 0.000 2.072 225 E HA -0.155 4.195 4.350 0.000 0.000 0.191 225 E C 2.388 179.040 176.600 0.088 0.000 0.985 225 E CA 0.817 57.301 56.400 0.139 0.000 0.801 225 E CB -0.146 29.642 29.700 0.148 0.000 0.750 225 E HN 0.373 nan 8.360 nan 0.000 0.452 226 R N 0.494 121.035 120.500 0.068 0.000 2.073 226 R HA -0.087 4.253 4.340 0.000 0.000 0.234 226 R C 2.334 178.661 176.300 0.046 0.000 1.134 226 R CA 0.979 57.108 56.100 0.049 0.000 0.952 226 R CB -0.510 29.814 30.300 0.040 0.000 0.850 226 R HN 0.257 nan 8.270 nan 0.000 0.433 227 L N 1.139 122.390 121.223 0.047 0.000 2.554 227 L HA 0.016 4.356 4.340 0.000 0.000 0.226 227 L C 0.194 177.092 176.870 0.046 0.000 1.137 227 L CA 0.195 55.060 54.840 0.041 0.000 0.863 227 L CB -0.096 41.983 42.059 0.033 0.000 0.985 227 L HN 0.054 nan 8.230 nan 0.000 0.451 228 K N -0.288 120.146 120.400 0.057 0.000 3.096 228 K HA -0.174 4.146 4.320 0.000 0.000 0.266 228 K C -0.038 176.596 176.600 0.056 0.000 1.043 228 K CA 0.893 57.216 56.287 0.061 0.000 0.758 228 K CB -2.028 30.503 32.500 0.050 0.000 1.260 228 K HN 0.341 nan 8.250 nan 0.000 0.481 229 A N 1.068 123.915 122.820 0.045 0.000 2.337 229 A HA 0.673 4.993 4.320 0.000 0.000 0.329 229 A C -2.137 175.430 177.584 -0.029 0.000 1.146 229 A CA -1.511 50.535 52.037 0.015 0.000 0.800 229 A CB 1.055 20.049 19.000 -0.010 0.000 1.220 229 A HN -0.031 nan 8.150 nan 0.000 0.472 230 P HA 0.266 nan 4.420 nan 0.000 0.269 230 P C -0.718 176.425 177.300 -0.262 0.000 1.209 230 P CA 0.066 63.068 63.100 -0.164 0.000 0.776 230 P CB 0.899 32.530 31.700 -0.115 0.000 0.876 231 V N 2.972 122.609 119.914 -0.460 0.000 2.531 231 V HA 0.341 4.461 4.120 0.000 0.000 0.301 231 V C -0.578 175.085 176.094 -0.719 0.000 1.034 231 V CA -0.303 61.664 62.300 -0.555 0.000 0.865 231 V CB 1.244 32.490 31.823 -0.961 0.000 0.995 231 V HN 0.574 nan 8.190 nan 0.000 0.424 232 W N 2.753 123.772 121.300 -0.468 0.000 2.639 232 W HA 0.734 5.394 4.660 0.000 0.000 0.347 232 W C -0.426 175.852 176.519 -0.402 0.000 1.067 232 W CA -0.821 56.224 57.345 -0.501 0.000 1.218 232 W CB 1.713 30.923 29.460 -0.416 0.000 1.393 232 W HN 0.303 nan 8.180 nan 0.000 0.557 233 V N 3.079 122.880 119.914 -0.189 0.000 2.439 233 V HA 0.558 4.678 4.120 0.000 0.000 0.282 233 V C 0.598 176.572 176.094 -0.202 0.000 1.039 233 V CA -1.253 60.938 62.300 -0.182 0.000 0.913 233 V CB 0.353 31.969 31.823 -0.346 0.000 0.983 233 V HN 0.678 nan 8.190 nan 0.000 0.460 234 A N 8.272 131.019 122.820 -0.121 0.000 2.507 234 A HA 0.426 4.746 4.320 0.000 0.000 0.235 234 A C -1.837 175.644 177.584 -0.173 0.000 1.070 234 A CA -0.695 51.265 52.037 -0.127 0.000 0.768 234 A CB -0.380 18.640 19.000 0.034 0.000 1.011 234 A HN 0.704 nan 8.150 nan 0.000 0.502 235 P HA 0.129 nan 4.420 nan 0.000 0.272 235 P C -0.050 177.209 177.300 -0.069 0.000 1.230 235 P CA 0.412 63.411 63.100 -0.168 0.000 0.788 235 P CB 0.581 32.188 31.700 -0.155 0.000 0.949 236 S N -2.065 113.600 115.700 -0.057 0.000 3.698 236 S HA -0.167 4.303 4.470 0.000 0.000 0.338 236 S C 0.603 175.255 174.600 0.087 0.000 1.089 236 S CA 0.700 58.915 58.200 0.025 0.000 0.991 236 S CB -2.261 61.008 63.200 0.115 0.000 0.909 236 S HN 0.948 nan 8.310 nan 0.000 0.485 237 A N 0.848 123.683 122.820 0.026 0.000 2.537 237 A HA 0.417 4.737 4.320 0.000 0.000 0.260 237 A C -0.591 177.248 177.584 0.424 0.000 1.082 237 A CA -0.687 51.455 52.037 0.174 0.000 0.765 237 A CB 0.115 19.182 19.000 0.110 0.000 1.019 237 A HN 0.279 nan 8.150 nan 0.000 0.507 238 P HA 0.033 nan 4.420 nan 0.000 0.227 238 P C 0.269 177.797 177.300 0.381 0.000 1.161 238 P CA 0.940 64.266 63.100 0.378 0.000 0.788 238 P CB 0.320 32.121 31.700 0.169 0.000 0.822 239 R N -2.643 118.084 120.500 0.378 0.000 2.831 239 R HA 0.561 4.901 4.340 0.000 0.000 0.266 239 R C -1.377 175.146 176.300 0.372 0.000 1.051 239 R CA -0.822 55.436 56.100 0.264 0.000 0.943 239 R CB 1.203 31.560 30.300 0.094 0.000 1.228 239 R HN -0.140 nan 8.270 nan 0.000 0.467 240 C N 2.887 122.321 119.300 0.224 0.000 2.264 240 C HA 0.520 4.980 4.460 0.000 0.000 0.324 240 C C -1.721 173.375 174.990 0.177 0.000 1.267 240 C CA -1.922 57.252 59.018 0.258 0.000 1.618 240 C CB 0.697 28.447 27.740 0.017 0.000 2.278 240 C HN 0.622 nan 8.230 nan 0.000 0.499 241 P HA 0.219 nan 4.420 nan 0.000 0.268 241 P C -0.312 177.151 177.300 0.271 0.000 1.329 241 P CA 0.267 63.487 63.100 0.199 0.000 0.899 241 P CB 0.109 31.925 31.700 0.193 0.000 1.378 242 F N 1.162 121.126 119.950 0.023 0.000 2.678 242 F HA 0.481 5.008 4.527 0.000 0.000 0.308 242 F C -2.703 172.979 175.800 -0.196 0.000 1.118 242 F CA -2.391 55.581 58.000 -0.047 0.000 0.959 242 F CB 1.862 40.906 39.000 0.074 0.000 1.305 242 F HN -0.362 nan 8.300 nan 0.000 0.443 243 P HA 0.120 nan 4.420 nan 0.000 0.267 243 P C 0.359 177.427 177.300 -0.388 0.000 1.209 243 P CA 0.137 63.036 63.100 -0.333 0.000 0.763 243 P CB 0.618 32.136 31.700 -0.303 0.000 0.816 244 T N 0.179 114.429 114.554 -0.506 0.000 3.148 244 T HA 0.054 4.404 4.350 0.000 0.000 0.253 244 T C 1.011 175.532 174.700 -0.299 0.000 1.134 244 T CA 0.439 62.012 62.100 -0.879 0.000 1.051 244 T CB -0.260 68.251 68.868 -0.594 0.000 0.959 244 T HN 0.175 nan 8.240 nan 0.000 0.525 245 R N 0.536 120.965 120.500 -0.117 0.000 2.543 245 R HA 0.218 4.558 4.340 0.000 0.000 0.323 245 R C 0.204 176.537 176.300 0.055 0.000 1.002 245 R CA -0.369 55.733 56.100 0.004 0.000 1.106 245 R CB -0.349 29.937 30.300 -0.022 0.000 1.280 245 R HN 0.577 nan 8.270 nan 0.000 0.549 246 H N 2.385 121.461 119.070 0.009 0.000 2.815 246 H HA 0.063 4.619 4.556 0.000 0.000 0.350 246 H C -1.558 173.859 175.328 0.148 0.000 1.080 246 H CA -1.162 54.924 56.048 0.063 0.000 1.433 246 H CB 1.721 31.511 29.762 0.046 0.000 1.432 246 H HN -0.194 nan 8.280 nan 0.000 0.592 247 P HA -0.122 nan 4.420 nan 0.000 0.218 247 P C 1.380 178.766 177.300 0.143 0.000 1.148 247 P CA 1.118 64.211 63.100 -0.013 0.000 0.822 247 P CB 0.051 31.674 31.700 -0.128 0.000 0.784 248 C N -2.789 116.725 119.300 0.358 0.000 2.448 248 C HA 0.085 4.545 4.460 0.000 0.000 0.280 248 C C 1.315 176.344 174.990 0.066 0.000 1.398 248 C CA -0.550 58.605 59.018 0.229 0.000 1.774 248 C CB -1.898 26.021 27.740 0.299 0.000 1.888 248 C HN 0.117 nan 8.230 nan 0.000 0.519 249 F N 1.867 121.860 119.950 0.071 0.000 2.529 249 F HA 0.236 4.763 4.527 0.000 0.000 0.365 249 F C 1.272 176.876 175.800 -0.328 0.000 1.102 249 F CA 0.283 58.206 58.000 -0.128 0.000 1.271 249 F CB 0.459 39.533 39.000 0.122 0.000 1.120 249 F HN -0.049 nan 8.300 nan 0.000 0.579 250 R N 3.636 123.340 120.500 -1.327 0.000 2.509 250 R HA 0.330 4.670 4.340 0.000 0.000 0.297 250 R C 0.496 175.838 176.300 -1.597 0.000 0.951 250 R CA 0.341 55.550 56.100 -1.486 0.000 1.103 250 R CB 0.115 29.102 30.300 -2.189 0.000 1.283 250 R HN 0.983 nan 8.270 nan 0.000 0.534 251 G N 1.276 108.969 108.800 -1.846 0.000 2.610 251 G HA2 -0.245 3.715 3.960 0.000 0.000 0.304 251 G HA3 -0.245 3.715 3.960 0.000 0.000 0.304 251 G C -1.163 173.358 174.900 -0.631 0.000 1.309 251 G CA -0.565 43.951 45.100 -0.973 0.000 0.906 251 G HN 0.137 nan 8.290 nan 0.000 0.521 252 L N 0.792 121.707 121.223 -0.513 0.000 2.360 252 L HA 0.702 5.042 4.340 0.000 0.000 0.276 252 L C 1.118 177.846 176.870 -0.237 0.000 1.121 252 L CA -0.128 54.351 54.840 -0.601 0.000 0.845 252 L CB 0.546 42.006 42.059 -0.999 0.000 1.143 252 L HN 0.615 nan 8.230 nan 0.000 0.452 253 M N 7.597 127.061 119.600 -0.227 0.000 2.245 253 M HA 0.243 4.723 4.480 0.000 0.000 0.344 253 M C -1.920 174.222 176.300 -0.264 0.000 1.170 253 M CA -1.451 53.669 55.300 -0.300 0.000 1.135 253 M CB 0.324 32.647 32.600 -0.463 0.000 1.574 253 M HN 0.500 nan 8.290 nan 0.000 0.452 254 P HA 0.088 nan 4.420 nan 0.000 0.271 254 P C -0.956 176.283 177.300 -0.101 0.000 1.218 254 P CA -0.228 62.783 63.100 -0.148 0.000 0.780 254 P CB 0.491 32.113 31.700 -0.130 0.000 0.901 255 A N 2.441 125.257 122.820 -0.006 0.000 3.197 255 A HA 0.534 4.854 4.320 0.000 0.000 0.263 255 A C 0.740 178.469 177.584 0.241 0.000 1.524 255 A CA -0.082 52.028 52.037 0.120 0.000 1.176 255 A CB -1.152 17.952 19.000 0.174 0.000 1.096 255 A HN 0.639 nan 8.150 nan 0.000 0.655 256 G N -0.792 108.123 108.800 0.192 0.000 2.638 256 G HA2 0.487 4.447 3.960 0.000 0.000 0.302 256 G HA3 0.487 4.447 3.960 0.000 0.000 0.302 256 G C 0.562 175.460 174.900 -0.003 0.000 1.365 256 G CA -0.627 44.520 45.100 0.079 0.000 0.987 256 G HN 0.142 nan 8.290 nan 0.000 0.495 257 I N 1.448 121.806 120.570 -0.354 0.000 2.099 257 I HA -0.240 3.930 4.170 0.000 0.000 0.239 257 I C 3.062 179.082 176.117 -0.161 0.000 1.066 257 I CA 1.959 63.017 61.300 -0.403 0.000 1.324 257 I CB -0.075 37.567 38.000 -0.596 0.000 1.037 257 I HN 0.557 nan 8.210 nan 0.000 0.401 258 A N 0.493 123.193 122.820 -0.201 0.000 1.930 258 A HA -0.115 4.205 4.320 0.000 0.000 0.217 258 A C 2.513 180.027 177.584 -0.117 0.000 1.175 258 A CA 1.699 53.644 52.037 -0.153 0.000 0.627 258 A CB -0.849 18.050 19.000 -0.168 0.000 0.815 258 A HN 0.452 nan 8.150 nan 0.000 0.443 259 A N -0.145 122.606 122.820 -0.114 0.000 1.933 259 A HA -0.088 4.232 4.320 0.000 0.000 0.218 259 A C 2.115 179.597 177.584 -0.170 0.000 1.175 259 A CA 1.592 53.553 52.037 -0.127 0.000 0.628 259 A CB -0.525 18.406 19.000 -0.115 0.000 0.814 259 A HN 0.505 nan 8.150 nan 0.000 0.444 260 I N 0.304 120.786 120.570 -0.145 0.000 2.333 260 I HA -0.190 3.980 4.170 0.000 0.000 0.246 260 I C 2.846 178.866 176.117 -0.162 0.000 1.106 260 I CA 1.355 62.516 61.300 -0.233 0.000 1.411 260 I CB -0.206 37.652 38.000 -0.236 0.000 1.082 260 I HN 0.503 nan 8.210 nan 0.000 0.420 261 S N 0.300 115.966 115.700 -0.056 0.000 2.399 261 S HA -0.271 4.199 4.470 0.000 0.000 0.231 261 S C 1.931 176.492 174.600 -0.064 0.000 1.022 261 S CA 1.215 59.398 58.200 -0.028 0.000 0.983 261 S CB -0.371 62.832 63.200 0.005 0.000 0.803 261 S HN 0.361 nan 8.310 nan 0.000 0.480 262 Q N 0.990 120.734 119.800 -0.094 0.000 2.079 262 Q HA 0.092 4.432 4.340 0.000 0.000 0.200 262 Q C 1.990 177.926 176.000 -0.108 0.000 0.974 262 Q CA 1.193 56.942 55.803 -0.090 0.000 0.840 262 Q CB -0.813 27.871 28.738 -0.091 0.000 0.898 262 Q HN 0.483 nan 8.270 nan 0.000 0.430 263 L N -0.261 120.849 121.223 -0.189 0.000 2.083 263 L HA -0.062 4.278 4.340 0.000 0.000 0.209 263 L C 1.788 178.566 176.870 -0.155 0.000 1.083 263 L CA 1.625 56.306 54.840 -0.266 0.000 0.752 263 L CB -0.377 41.321 42.059 -0.603 0.000 0.899 263 L HN 0.338 nan 8.230 nan 0.000 0.433 264 L N -1.023 120.126 121.223 -0.124 0.000 2.558 264 L HA 0.032 4.372 4.340 0.000 0.000 0.225 264 L C 0.968 177.893 176.870 0.091 0.000 1.128 264 L CA -0.188 54.671 54.840 0.031 0.000 0.868 264 L CB -0.381 41.662 42.059 -0.027 0.000 1.006 264 L HN 0.247 nan 8.230 nan 0.000 0.454 265 E N 0.677 120.881 120.200 0.006 0.000 2.452 265 E HA 0.099 4.449 4.350 0.000 0.000 0.261 265 E C 1.170 177.729 176.600 -0.069 0.000 0.987 265 E CA 0.845 57.233 56.400 -0.019 0.000 0.926 265 E CB 0.407 30.085 29.700 -0.037 0.000 0.934 265 E HN 0.299 nan 8.360 nan 0.000 0.452 266 G N 4.064 112.821 108.800 -0.072 0.000 2.241 266 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 266 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 266 G C -0.047 174.738 174.900 -0.192 0.000 0.998 266 G CA 0.187 45.203 45.100 -0.141 0.000 0.621 266 G HN 0.725 nan 8.290 nan 0.000 0.519 267 H N 1.864 120.936 119.070 0.004 0.000 2.723 267 H HA 0.263 4.819 4.556 0.000 0.000 0.294 267 H C 1.250 176.584 175.328 0.010 0.000 1.079 267 H CA 0.437 56.492 56.048 0.011 0.000 1.411 267 H CB 1.391 31.161 29.762 0.014 0.000 1.439 267 H HN 0.499 nan 8.280 nan 0.000 0.474 268 D N 2.366 122.835 120.400 0.116 0.000 2.194 268 D HA -0.066 4.574 4.640 0.000 0.000 0.204 268 D C 0.464 176.804 176.300 0.067 0.000 0.964 268 D CA 0.478 54.519 54.000 0.069 0.000 0.846 268 D CB 0.401 41.227 40.800 0.044 0.000 0.962 268 D HN 0.114 nan 8.370 nan 0.000 0.490 269 V N 1.075 121.035 119.914 0.077 0.000 2.525 269 V HA 0.342 4.462 4.120 0.000 0.000 0.299 269 V C -0.538 175.582 176.094 0.042 0.000 1.034 269 V CA -1.008 61.322 62.300 0.051 0.000 0.863 269 V CB 2.537 34.382 31.823 0.036 0.000 0.999 269 V HN -0.090 nan 8.190 nan 0.000 0.423 270 V N 5.947 125.879 119.914 0.030 0.000 2.378 270 V HA 0.460 4.580 4.120 0.000 0.000 0.288 270 V C -0.452 175.648 176.094 0.009 0.000 1.016 270 V CA -0.543 61.762 62.300 0.008 0.000 0.840 270 V CB 1.662 33.501 31.823 0.026 0.000 0.994 270 V HN 0.674 nan 8.190 nan 0.000 0.431 271 L N 7.437 128.659 121.223 -0.002 0.000 2.265 271 L HA 0.624 4.964 4.340 0.000 0.000 0.289 271 L C -0.353 176.521 176.870 0.007 0.000 1.033 271 L CA 0.201 55.041 54.840 -0.001 0.000 0.814 271 L CB 1.457 43.514 42.059 -0.003 0.000 1.203 271 L HN 0.442 nan 8.230 nan 0.000 0.423 272 V N 6.817 126.737 119.914 0.009 0.000 2.427 272 V HA 0.494 4.614 4.120 0.000 0.000 0.286 272 V C 0.114 176.212 176.094 0.006 0.000 1.034 272 V CA -0.400 61.915 62.300 0.025 0.000 0.893 272 V CB 1.400 33.233 31.823 0.017 0.000 0.982 272 V HN 0.595 nan 8.190 nan 0.000 0.452 273 I N 3.412 123.994 120.570 0.019 0.000 2.447 273 I HA 0.611 4.781 4.170 0.000 0.000 0.287 273 I C 0.897 177.032 176.117 0.030 0.000 1.023 273 I CA -0.478 60.832 61.300 0.017 0.000 1.083 273 I CB 1.768 39.782 38.000 0.022 0.000 1.245 273 I HN 0.834 nan 8.210 nan 0.000 0.434 274 G N 4.388 113.201 108.800 0.023 0.000 2.198 274 G HA2 -0.035 3.925 3.960 0.000 0.000 0.257 274 G HA3 -0.035 3.925 3.960 0.000 0.000 0.257 274 G C -0.079 174.855 174.900 0.057 0.000 1.042 274 G CA 0.199 45.323 45.100 0.040 0.000 0.791 274 G HN 1.042 nan 8.290 nan 0.000 0.502 275 A N -0.601 122.242 122.820 0.039 0.000 2.498 275 A HA 0.958 5.278 4.320 0.000 0.000 0.298 275 A C -2.585 174.994 177.584 -0.009 0.000 1.075 275 A CA -1.435 50.625 52.037 0.040 0.000 0.714 275 A CB 1.877 20.922 19.000 0.074 0.000 1.299 275 A HN 0.104 nan 8.150 nan 0.000 0.407 276 P HA 0.309 nan 4.420 nan 0.000 0.270 276 P C -0.689 176.483 177.300 -0.213 0.000 1.223 276 P CA -0.142 62.907 63.100 -0.084 0.000 0.785 276 P CB 0.590 32.260 31.700 -0.050 0.000 0.923 277 V N 3.005 122.680 119.914 -0.398 0.000 2.275 277 V HA 0.351 4.471 4.120 0.000 0.000 0.272 277 V C -0.444 175.291 176.094 -0.598 0.000 1.028 277 V CA -0.009 61.739 62.300 -0.921 0.000 0.810 277 V CB -0.867 30.453 31.823 -0.838 0.000 1.043 277 V HN 0.363 nan 8.190 nan 0.000 0.453 278 F N 2.267 121.962 119.950 -0.426 0.000 2.579 278 F HA 0.621 5.148 4.527 0.000 0.000 0.324 278 F C 0.631 176.094 175.800 -0.562 0.000 1.058 278 F CA -1.390 56.250 58.000 -0.600 0.000 0.944 278 F CB 1.681 40.126 39.000 -0.926 0.000 1.245 278 F HN 0.183 nan 8.300 nan 0.000 0.477 279 R N 1.620 122.061 120.500 -0.098 0.000 4.164 279 R HA 0.211 4.551 4.340 0.000 0.000 0.195 279 R C -1.244 175.083 176.300 0.044 0.000 1.712 279 R CA -0.129 55.965 56.100 -0.011 0.000 1.457 279 R CB -1.347 28.969 30.300 0.027 0.000 1.387 279 R HN 0.359 nan 8.270 nan 0.000 0.785 280 Y N -0.139 120.273 120.300 0.186 0.000 2.394 280 Y HA 0.041 4.591 4.550 0.000 0.000 0.351 280 Y C 1.550 177.593 175.900 0.239 0.000 1.272 280 Y CA 0.496 58.709 58.100 0.188 0.000 1.508 280 Y CB 0.282 38.862 38.460 0.201 0.000 1.369 280 Y HN 0.434 nan 8.280 nan 0.000 0.639 281 H N -0.760 118.491 119.070 0.302 0.000 2.356 281 H HA 0.096 4.652 4.556 0.000 0.000 0.149 281 H C -0.195 175.274 175.328 0.235 0.000 1.057 281 H CA 0.534 56.719 56.048 0.228 0.000 1.093 281 H CB -0.061 29.824 29.762 0.205 0.000 0.960 281 H HN 0.623 nan 8.280 nan 0.000 0.316 282 Q N 1.148 121.077 119.800 0.216 0.000 2.421 282 Q HA -0.026 4.314 4.340 0.000 0.000 0.255 282 Q C -0.775 175.370 176.000 0.241 0.000 1.013 282 Q CA -0.219 55.703 55.803 0.199 0.000 0.895 282 Q CB 0.626 29.473 28.738 0.182 0.000 1.271 282 Q HN 0.442 nan 8.270 nan 0.000 0.460 283 Y N 1.684 122.035 120.300 0.085 0.000 2.393 283 Y HA 0.168 4.718 4.550 0.000 0.000 0.338 283 Y C -0.774 175.128 175.900 0.003 0.000 1.029 283 Y CA -0.450 57.668 58.100 0.029 0.000 1.239 283 Y CB 0.671 39.147 38.460 0.026 0.000 1.170 283 Y HN 0.778 nan 8.280 nan 0.000 0.515 284 D N 8.416 128.557 120.400 -0.432 0.000 2.846 284 D HA 0.232 4.872 4.640 0.000 0.000 0.279 284 D C -3.044 172.958 176.300 -0.496 0.000 1.222 284 D CA -1.691 52.087 54.000 -0.369 0.000 0.769 284 D CB 0.748 41.440 40.800 -0.180 0.000 1.299 284 D HN 0.225 nan 8.370 nan 0.000 0.537 285 P HA 0.473 nan 4.420 nan 0.000 0.269 285 P C 0.438 177.522 177.300 -0.360 0.000 1.209 285 P CA 0.280 63.029 63.100 -0.585 0.000 0.776 285 P CB 1.744 33.090 31.700 -0.591 0.000 0.876 286 G N 1.518 110.118 108.800 -0.334 0.000 2.399 286 G HA2 0.093 4.053 3.960 0.000 0.000 0.256 286 G HA3 0.093 4.053 3.960 0.000 0.000 0.256 286 G C -1.556 173.166 174.900 -0.296 0.000 1.236 286 G CA -0.663 44.284 45.100 -0.255 0.000 0.914 286 G HN 0.459 nan 8.290 nan 0.000 0.482 287 Q N -0.348 119.330 119.800 -0.205 0.000 2.288 287 Q HA 0.420 4.760 4.340 0.000 0.000 0.254 287 Q C 0.268 176.192 176.000 -0.127 0.000 0.932 287 Q CA -0.477 55.227 55.803 -0.165 0.000 0.902 287 Q CB 1.263 29.960 28.738 -0.068 0.000 1.203 287 Q HN 0.508 nan 8.270 nan 0.000 0.415 288 Y N 1.101 121.407 120.300 0.011 0.000 2.242 288 Y HA -0.037 4.513 4.550 0.000 0.000 0.291 288 Y C 0.503 176.455 175.900 0.088 0.000 1.137 288 Y CA 0.879 59.020 58.100 0.068 0.000 1.181 288 Y CB 0.360 38.871 38.460 0.085 0.000 0.989 288 Y HN 0.390 nan 8.280 nan 0.000 0.527 289 L N -0.155 121.192 121.223 0.206 0.000 2.434 289 L HA 0.354 4.694 4.340 0.000 0.000 0.260 289 L C -0.548 176.362 176.870 0.066 0.000 0.983 289 L CA -1.281 53.633 54.840 0.124 0.000 0.820 289 L CB 2.176 44.307 42.059 0.119 0.000 1.361 289 L HN -0.293 nan 8.230 nan 0.000 0.410 290 K N 1.361 121.783 120.400 0.037 0.000 2.258 290 K HA 0.328 4.648 4.320 0.000 0.000 0.264 290 K C -2.389 174.223 176.600 0.021 0.000 1.007 290 K CA -1.630 54.666 56.287 0.016 0.000 0.941 290 K CB 0.325 32.825 32.500 -0.001 0.000 0.966 290 K HN 0.211 nan 8.250 nan 0.000 0.480 291 P HA -0.062 nan 4.420 nan 0.000 0.264 291 P C 0.644 177.951 177.300 0.011 0.000 1.183 291 P CA 0.992 64.100 63.100 0.012 0.000 0.763 291 P CB 0.317 32.020 31.700 0.004 0.000 0.807 292 G N 1.489 110.299 108.800 0.016 0.000 2.213 292 G HA2 -0.179 3.781 3.960 0.000 0.000 0.226 292 G HA3 -0.179 3.781 3.960 0.000 0.000 0.226 292 G C 0.176 175.091 174.900 0.026 0.000 0.992 292 G CA -0.088 45.021 45.100 0.015 0.000 0.632 292 G HN 0.608 nan 8.290 nan 0.000 0.511 293 T N 1.410 115.985 114.554 0.035 0.000 2.758 293 T HA 0.599 4.949 4.350 0.000 0.000 0.285 293 T C 0.068 174.795 174.700 0.045 0.000 0.981 293 T CA -0.399 61.731 62.100 0.050 0.000 0.965 293 T CB 1.875 70.780 68.868 0.063 0.000 0.927 293 T HN 0.517 nan 8.240 nan 0.000 0.448 294 R N 3.604 124.129 120.500 0.041 0.000 2.407 294 R HA 0.673 5.013 4.340 0.000 0.000 0.303 294 R C -1.204 175.114 176.300 0.029 0.000 0.981 294 R CA -0.738 55.379 56.100 0.030 0.000 0.905 294 R CB 0.851 31.164 30.300 0.022 0.000 1.099 294 R HN 0.569 nan 8.270 nan 0.000 0.459 295 L N 5.595 126.828 121.223 0.017 0.000 2.329 295 L HA 0.583 4.923 4.340 0.000 0.000 0.279 295 L C -1.268 175.591 176.870 -0.018 0.000 1.014 295 L CA -0.681 54.162 54.840 0.005 0.000 0.814 295 L CB 1.490 43.549 42.059 0.001 0.000 1.257 295 L HN 0.659 nan 8.230 nan 0.000 0.424 296 I N 3.748 124.306 120.570 -0.020 0.000 2.447 296 I HA 0.320 4.490 4.170 0.000 0.000 0.287 296 I C -0.583 175.509 176.117 -0.041 0.000 1.023 296 I CA -0.335 60.948 61.300 -0.029 0.000 1.083 296 I CB 2.088 40.079 38.000 -0.015 0.000 1.245 296 I HN 0.524 nan 8.210 nan 0.000 0.434 297 S N 5.731 121.395 115.700 -0.060 0.000 2.454 297 S HA 0.661 5.131 4.470 0.000 0.000 0.306 297 S C -0.767 173.804 174.600 -0.050 0.000 1.100 297 S CA -0.484 57.674 58.200 -0.070 0.000 1.087 297 S CB 1.331 64.460 63.200 -0.118 0.000 1.019 297 S HN 0.321 nan 8.310 nan 0.000 0.480 298 V N 4.558 124.450 119.914 -0.036 0.000 2.347 298 V HA 0.640 4.760 4.120 0.000 0.000 0.280 298 V C 0.388 176.465 176.094 -0.029 0.000 1.021 298 V CA -0.464 61.819 62.300 -0.028 0.000 0.847 298 V CB 1.095 32.909 31.823 -0.016 0.000 0.990 298 V HN 0.949 nan 8.190 nan 0.000 0.444 299 T N 3.154 117.686 114.554 -0.037 0.000 2.909 299 T HA 0.235 4.585 4.350 0.000 0.000 0.299 299 T C 0.825 175.491 174.700 -0.056 0.000 1.073 299 T CA -0.128 61.949 62.100 -0.038 0.000 0.999 299 T CB 1.350 70.193 68.868 -0.041 0.000 1.098 299 T HN 0.870 nan 8.240 nan 0.000 0.477 300 C N 1.758 121.008 119.300 -0.084 0.000 2.576 300 C HA 0.430 4.890 4.460 0.000 0.000 0.267 300 C C 0.485 175.375 174.990 -0.167 0.000 1.364 300 C CA -0.381 58.556 59.018 -0.134 0.000 1.723 300 C CB -1.456 26.169 27.740 -0.192 0.000 1.778 300 C HN 0.754 nan 8.230 nan 0.000 0.572 301 D N 0.814 121.139 120.400 -0.126 0.000 2.505 301 D HA 0.359 4.999 4.640 0.000 0.000 0.250 301 D C -1.930 174.346 176.300 -0.040 0.000 1.164 301 D CA -1.938 52.000 54.000 -0.104 0.000 0.870 301 D CB 1.967 42.733 40.800 -0.057 0.000 1.160 301 D HN -0.115 nan 8.370 nan 0.000 0.549 302 P HA -0.102 nan 4.420 nan 0.000 0.216 302 P C 1.684 178.991 177.300 0.011 0.000 1.150 302 P CA 0.881 63.975 63.100 -0.009 0.000 0.843 302 P CB 0.362 32.062 31.700 0.000 0.000 0.787 303 L N -0.802 120.444 121.223 0.039 0.000 2.131 303 L HA -0.172 4.168 4.340 0.000 0.000 0.210 303 L C 2.348 179.244 176.870 0.043 0.000 1.092 303 L CA 1.465 56.344 54.840 0.067 0.000 0.759 303 L CB -0.772 41.369 42.059 0.136 0.000 0.903 303 L HN 0.059 nan 8.230 nan 0.000 0.435 304 E N 0.148 120.364 120.200 0.026 0.000 2.046 304 E HA -0.178 4.172 4.350 0.000 0.000 0.190 304 E C 2.367 178.942 176.600 -0.041 0.000 0.982 304 E CA 1.068 57.465 56.400 -0.006 0.000 0.800 304 E CB -0.167 29.530 29.700 -0.004 0.000 0.756 304 E HN 0.476 nan 8.360 nan 0.000 0.449 305 A N 1.563 124.360 122.820 -0.038 0.000 1.908 305 A HA -0.157 4.163 4.320 0.000 0.000 0.218 305 A C 2.382 179.937 177.584 -0.048 0.000 1.181 305 A CA 1.803 53.808 52.037 -0.053 0.000 0.627 305 A CB -0.651 18.323 19.000 -0.042 0.000 0.818 305 A HN 0.295 nan 8.150 nan 0.000 0.445 306 A N 0.516 123.321 122.820 -0.026 0.000 1.930 306 A HA -0.140 4.180 4.320 0.000 0.000 0.217 306 A C 2.176 179.743 177.584 -0.028 0.000 1.175 306 A CA 1.609 53.634 52.037 -0.020 0.000 0.627 306 A CB -0.413 18.588 19.000 0.001 0.000 0.815 306 A HN 0.722 nan 8.150 nan 0.000 0.443 307 R N -0.729 119.754 120.500 -0.028 0.000 2.300 307 R HA 0.477 4.817 4.340 0.000 0.000 0.199 307 R C 0.765 177.020 176.300 -0.076 0.000 0.920 307 R CA 0.537 56.618 56.100 -0.031 0.000 1.046 307 R CB -0.439 29.862 30.300 0.001 0.000 0.984 307 R HN 0.256 nan 8.270 nan 0.000 0.493 308 A N 2.891 125.643 122.820 -0.114 0.000 2.546 308 A HA 0.167 4.487 4.320 0.000 0.000 0.243 308 A C -1.661 175.796 177.584 -0.212 0.000 1.063 308 A CA -1.065 50.859 52.037 -0.189 0.000 0.757 308 A CB 0.208 19.082 19.000 -0.210 0.000 0.991 308 A HN 0.214 nan 8.150 nan 0.000 0.503 309 P HA 0.060 nan 4.420 nan 0.000 0.245 309 P C -0.122 176.952 177.300 -0.377 0.000 1.212 309 P CA 0.737 63.569 63.100 -0.447 0.000 0.774 309 P CB 0.025 31.104 31.700 -1.035 0.000 0.999 310 M N -3.104 116.327 119.600 -0.281 0.000 2.682 310 M HA 0.654 5.134 4.480 0.000 0.000 0.272 310 M C -0.498 175.724 176.300 -0.129 0.000 1.232 310 M CA -0.455 54.751 55.300 -0.156 0.000 0.849 310 M CB 1.135 33.678 32.600 -0.095 0.000 1.695 310 M HN 0.037 nan 8.290 nan 0.000 0.481 311 G N 1.668 110.423 108.800 -0.075 0.000 2.699 311 G HA2 -0.012 3.948 3.960 0.000 0.000 0.686 311 G HA3 -0.012 3.948 3.960 0.000 0.000 0.686 311 G C -1.536 173.326 174.900 -0.063 0.000 1.301 311 G CA -0.404 44.656 45.100 -0.066 0.000 0.816 311 G HN 0.980 nan 8.290 nan 0.000 0.595 312 D N 0.037 120.408 120.400 -0.048 0.000 2.354 312 D HA 0.743 5.383 4.640 0.000 0.000 0.247 312 D C 0.756 177.023 176.300 -0.054 0.000 1.138 312 D CA 1.062 55.037 54.000 -0.043 0.000 0.958 312 D CB 1.573 42.356 40.800 -0.028 0.000 1.144 312 D HN 1.275 nan 8.370 nan 0.000 0.458 313 A N 0.495 123.286 122.820 -0.048 0.000 2.539 313 A HA 0.740 5.060 4.320 0.000 0.000 0.296 313 A C -1.169 176.392 177.584 -0.038 0.000 1.073 313 A CA -0.606 51.400 52.037 -0.051 0.000 0.700 313 A CB 1.142 20.105 19.000 -0.061 0.000 1.296 313 A HN 0.449 nan 8.150 nan 0.000 0.405 314 I N 1.191 121.739 120.570 -0.036 0.000 2.478 314 I HA 0.374 4.544 4.170 0.000 0.000 0.287 314 I C -0.932 175.165 176.117 -0.033 0.000 1.042 314 I CA -0.802 60.481 61.300 -0.029 0.000 1.067 314 I CB 2.265 40.251 38.000 -0.024 0.000 1.233 314 I HN 0.310 nan 8.210 nan 0.000 0.431 315 V N 5.849 125.743 119.914 -0.032 0.000 2.348 315 V HA 0.860 4.980 4.120 0.000 0.000 0.270 315 V C 0.265 176.338 176.094 -0.037 0.000 1.037 315 V CA -0.097 62.180 62.300 -0.038 0.000 0.872 315 V CB 0.610 32.411 31.823 -0.037 0.000 1.002 315 V HN 0.876 nan 8.190 nan 0.000 0.464 316 A N 3.623 126.419 122.820 -0.041 0.000 2.564 316 A HA 0.614 4.934 4.320 0.000 0.000 0.291 316 A C -1.140 176.420 177.584 -0.041 0.000 1.102 316 A CA -0.783 51.233 52.037 -0.036 0.000 0.660 316 A CB 1.095 20.080 19.000 -0.025 0.000 1.283 316 A HN 0.712 nan 8.150 nan 0.000 0.430 317 D N 0.174 120.553 120.400 -0.035 0.000 2.390 317 D HA 0.308 4.948 4.640 0.000 0.000 0.249 317 D C 1.067 177.354 176.300 -0.021 0.000 1.144 317 D CA -0.355 53.625 54.000 -0.033 0.000 0.880 317 D CB 0.373 41.159 40.800 -0.023 0.000 1.182 317 D HN 0.278 nan 8.370 nan 0.000 0.451 318 I N 3.688 124.246 120.570 -0.020 0.000 2.252 318 I HA -0.037 4.133 4.170 0.000 0.000 0.245 318 I C 2.330 178.450 176.117 0.005 0.000 1.102 318 I CA 1.054 62.352 61.300 -0.005 0.000 1.385 318 I CB -1.651 36.351 38.000 0.003 0.000 1.064 318 I HN 0.691 nan 8.210 nan 0.000 0.414 319 G N 0.944 109.747 108.800 0.005 0.000 2.459 319 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 319 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 319 G C 1.862 176.767 174.900 0.008 0.000 1.183 319 G CA 1.208 46.314 45.100 0.010 0.000 0.776 319 G HN 0.482 nan 8.290 nan 0.000 0.552 320 A N 0.181 123.004 122.820 0.004 0.000 1.902 320 A HA 0.044 4.364 4.320 0.000 0.000 0.217 320 A C 2.458 180.044 177.584 0.004 0.000 1.181 320 A CA 1.991 54.031 52.037 0.004 0.000 0.623 320 A CB -0.321 18.680 19.000 0.001 0.000 0.818 320 A HN 0.308 nan 8.150 nan 0.000 0.443 321 M N -0.529 119.072 119.600 0.001 0.000 2.132 321 M HA -0.068 4.412 4.480 0.000 0.000 0.263 321 M C 2.548 178.853 176.300 0.008 0.000 1.065 321 M CA 1.556 56.857 55.300 0.002 0.000 1.122 321 M CB -1.441 31.158 32.600 -0.002 0.000 1.365 321 M HN 0.485 nan 8.290 nan 0.000 0.411 322 A N -0.583 122.245 122.820 0.013 0.000 1.902 322 A HA -0.161 4.159 4.320 0.000 0.000 0.217 322 A C 2.480 180.075 177.584 0.018 0.000 1.181 322 A CA 2.299 54.347 52.037 0.020 0.000 0.623 322 A CB -0.935 18.081 19.000 0.027 0.000 0.818 322 A HN 0.499 nan 8.150 nan 0.000 0.443 323 S N -0.498 115.210 115.700 0.014 0.000 2.368 323 S HA -0.022 4.448 4.470 0.000 0.000 0.225 323 S C 2.179 176.785 174.600 0.011 0.000 1.030 323 S CA 1.579 59.787 58.200 0.012 0.000 0.999 323 S CB -0.477 62.729 63.200 0.010 0.000 0.844 323 S HN 0.807 nan 8.310 nan 0.000 0.459 324 A N 1.453 124.278 122.820 0.009 0.000 1.873 324 A HA 0.081 4.401 4.320 0.000 0.000 0.215 324 A C 2.238 179.827 177.584 0.010 0.000 1.186 324 A CA 1.420 53.462 52.037 0.008 0.000 0.616 324 A CB -0.879 18.124 19.000 0.006 0.000 0.823 324 A HN 0.565 nan 8.150 nan 0.000 0.442 325 L N -0.697 120.533 121.223 0.011 0.000 2.046 325 L HA -0.211 4.129 4.340 0.000 0.000 0.208 325 L C 3.075 179.955 176.870 0.017 0.000 1.077 325 L CA 1.122 55.970 54.840 0.013 0.000 0.747 325 L CB -0.518 41.550 42.059 0.014 0.000 0.896 325 L HN 0.441 nan 8.230 nan 0.000 0.432 326 A N -0.246 122.585 122.820 0.019 0.000 1.972 326 A HA -0.176 4.144 4.320 0.000 0.000 0.219 326 A C 1.961 179.556 177.584 0.019 0.000 1.169 326 A CA 1.646 53.697 52.037 0.023 0.000 0.635 326 A CB -0.434 18.580 19.000 0.023 0.000 0.810 326 A HN 0.476 nan 8.150 nan 0.000 0.446 327 N N -0.824 117.885 118.700 0.015 0.000 2.373 327 N HA 0.145 4.885 4.740 0.000 0.000 0.181 327 N C 1.264 176.781 175.510 0.012 0.000 1.082 327 N CA 0.519 53.576 53.050 0.013 0.000 0.885 327 N CB 0.256 38.749 38.487 0.010 0.000 0.977 327 N HN 0.466 nan 8.380 nan 0.000 0.462 328 L N 0.555 121.785 121.223 0.012 0.000 2.425 328 L HA 0.145 4.485 4.340 0.000 0.000 0.215 328 L C 0.779 177.657 176.870 0.012 0.000 1.065 328 L CA 0.023 54.869 54.840 0.011 0.000 0.842 328 L CB 0.104 42.168 42.059 0.009 0.000 1.033 328 L HN -0.116 nan 8.230 nan 0.000 0.474 329 V N -1.346 118.577 119.914 0.015 0.000 2.963 329 V HA 0.088 4.208 4.120 0.000 0.000 0.306 329 V C 0.290 176.394 176.094 0.017 0.000 1.077 329 V CA -0.874 61.436 62.300 0.017 0.000 1.124 329 V CB 0.320 32.155 31.823 0.020 0.000 0.987 329 V HN 0.160 nan 8.190 nan 0.000 0.487 330 E N 1.315 121.526 120.200 0.017 0.000 2.392 330 E HA 0.163 4.513 4.350 0.000 0.000 0.259 330 E C -0.055 176.558 176.600 0.021 0.000 1.108 330 E CA -0.263 56.147 56.400 0.017 0.000 0.916 330 E CB 0.766 30.475 29.700 0.016 0.000 0.989 330 E HN 0.883 nan 8.360 nan 0.000 0.432 331 E N 1.782 121.994 120.200 0.021 0.000 2.166 331 E HA 0.032 4.382 4.350 0.000 0.000 0.279 331 E C -0.702 175.912 176.600 0.023 0.000 1.095 331 E CA -0.216 56.199 56.400 0.024 0.000 0.888 331 E CB 0.742 30.455 29.700 0.022 0.000 1.041 331 E HN 0.293 nan 8.360 nan 0.000 0.414 332 S N 2.829 118.545 115.700 0.027 0.000 2.572 332 S HA -0.010 4.460 4.470 0.000 0.000 0.279 332 S C 1.230 175.845 174.600 0.024 0.000 1.341 332 S CA 0.122 58.337 58.200 0.025 0.000 1.043 332 S CB 0.966 64.184 63.200 0.030 0.000 0.887 332 S HN 0.644 nan 8.310 nan 0.000 0.516 333 S N 4.229 119.942 115.700 0.020 0.000 2.515 333 S HA 0.090 4.560 4.470 0.000 0.000 0.231 333 S C 0.798 175.410 174.600 0.019 0.000 0.987 333 S CA 0.002 58.213 58.200 0.018 0.000 0.936 333 S CB -0.216 62.993 63.200 0.014 0.000 0.766 333 S HN 0.721 nan 8.310 nan 0.000 0.528 334 R N 1.543 122.056 120.500 0.022 0.000 2.774 334 R HA 0.208 4.548 4.340 0.000 0.000 0.269 334 R C 0.183 176.497 176.300 0.024 0.000 1.068 334 R CA 0.009 56.123 56.100 0.023 0.000 1.180 334 R CB 0.241 30.558 30.300 0.029 0.000 1.077 334 R HN 0.471 nan 8.270 nan 0.000 0.513 335 Q N 1.236 121.049 119.800 0.022 0.000 2.327 335 Q HA 0.061 4.401 4.340 0.000 0.000 0.254 335 Q C -0.305 175.712 176.000 0.027 0.000 0.952 335 Q CA -0.426 55.389 55.803 0.020 0.000 0.884 335 Q CB 0.909 29.656 28.738 0.015 0.000 1.224 335 Q HN 0.259 nan 8.270 nan 0.000 0.422 336 L N 4.604 125.843 121.223 0.027 0.000 2.525 336 L HA 0.085 4.425 4.340 0.000 0.000 0.278 336 L C -2.157 174.732 176.870 0.031 0.000 1.218 336 L CA -0.691 54.171 54.840 0.037 0.000 0.878 336 L CB 0.115 42.192 42.059 0.031 0.000 1.127 336 L HN 0.448 nan 8.230 nan 0.000 0.492 337 P HA 0.062 nan 4.420 nan 0.000 0.267 337 P C -1.003 176.304 177.300 0.013 0.000 1.201 337 P CA -0.009 63.107 63.100 0.026 0.000 0.775 337 P CB 0.312 32.029 31.700 0.028 0.000 0.854 338 T N 1.566 116.121 114.554 0.001 0.000 2.856 338 T HA 0.470 4.820 4.350 0.000 0.000 0.292 338 T C 0.282 174.976 174.700 -0.010 0.000 0.980 338 T CA -0.354 61.742 62.100 -0.008 0.000 1.091 338 T CB 0.684 69.547 68.868 -0.008 0.000 0.936 338 T HN 0.452 nan 8.240 nan 0.000 0.503 339 A N 2.532 125.345 122.820 -0.011 0.000 2.520 339 A HA 0.562 4.882 4.320 0.000 0.000 0.235 339 A C 0.862 178.443 177.584 -0.005 0.000 1.065 339 A CA -0.457 51.580 52.037 0.000 0.000 0.764 339 A CB -0.250 18.748 19.000 -0.003 0.000 1.002 339 A HN 1.089 nan 8.150 nan 0.000 0.502 340 A N 3.232 126.052 122.820 0.000 0.000 2.498 340 A HA 0.516 4.836 4.320 0.000 0.000 0.239 340 A C -1.785 175.799 177.584 0.001 0.000 1.068 340 A CA -0.806 51.222 52.037 -0.014 0.000 0.766 340 A CB -0.811 18.177 19.000 -0.019 0.000 1.003 340 A HN 0.719 nan 8.150 nan 0.000 0.497 341 P HA 0.248 nan 4.420 nan 0.000 0.272 341 P C -0.108 177.196 177.300 0.006 0.000 1.240 341 P CA -0.436 62.664 63.100 0.000 0.000 0.791 341 P CB 0.390 32.088 31.700 -0.002 0.000 0.978 342 E N 1.818 122.023 120.200 0.007 0.000 2.415 342 E HA 0.125 4.475 4.350 0.000 0.000 0.262 342 E C -1.777 174.829 176.600 0.010 0.000 1.038 342 E CA -1.472 54.934 56.400 0.010 0.000 0.921 342 E CB -0.731 28.974 29.700 0.008 0.000 0.950 342 E HN 0.354 nan 8.360 nan 0.000 0.438 343 P HA 0.167 nan 4.420 nan 0.000 0.274 343 P C -0.945 176.362 177.300 0.012 0.000 1.246 343 P CA -0.434 62.674 63.100 0.013 0.000 0.795 343 P CB 0.573 32.284 31.700 0.018 0.000 1.006 344 A N 2.227 125.052 122.820 0.008 0.000 2.425 344 A HA 0.170 4.490 4.320 0.000 0.000 0.242 344 A C 0.323 177.910 177.584 0.006 0.000 1.077 344 A CA -0.227 51.812 52.037 0.004 0.000 0.781 344 A CB -0.226 18.773 19.000 -0.002 0.000 1.020 344 A HN 0.474 nan 8.150 nan 0.000 0.494 345 K N 1.687 122.088 120.400 0.003 0.000 2.248 345 K HA 0.416 4.737 4.320 0.000 0.000 0.281 345 K C -0.910 175.681 176.600 -0.014 0.000 1.054 345 K CA -0.588 55.702 56.287 0.004 0.000 0.903 345 K CB 1.305 33.811 32.500 0.009 0.000 1.077 345 K HN 0.346 nan 8.250 nan 0.000 0.474 346 V N 3.314 123.211 119.914 -0.029 0.000 2.637 346 V HA -0.049 4.071 4.120 0.000 0.000 0.296 346 V C 0.231 176.277 176.094 -0.080 0.000 1.046 346 V CA -0.402 61.842 62.300 -0.092 0.000 1.066 346 V CB 0.502 32.224 31.823 -0.167 0.000 0.968 346 V HN 0.693 nan 8.190 nan 0.000 0.483 347 D N 3.710 124.057 120.400 -0.088 0.000 2.487 347 D HA 0.216 4.856 4.640 0.000 0.000 0.243 347 D C 0.009 176.318 176.300 0.015 0.000 1.154 347 D CA 0.445 54.426 54.000 -0.032 0.000 0.876 347 D CB 0.599 41.388 40.800 -0.018 0.000 1.161 347 D HN 0.572 nan 8.370 nan 0.000 0.478 348 Q N 2.256 122.106 119.800 0.083 0.000 2.290 348 Q HA 0.237 4.577 4.340 0.000 0.000 0.269 348 Q C -1.168 174.892 176.000 0.100 0.000 1.016 348 Q CA -0.812 55.089 55.803 0.162 0.000 0.754 348 Q CB 1.129 29.951 28.738 0.140 0.000 1.247 348 Q HN 0.380 nan 8.270 nan 0.000 0.451 349 D N 2.146 122.606 120.400 0.100 0.000 2.425 349 D HA 0.310 4.950 4.640 0.000 0.000 0.274 349 D C 0.091 176.413 176.300 0.037 0.000 1.242 349 D CA -0.087 53.947 54.000 0.056 0.000 1.060 349 D CB 0.380 41.212 40.800 0.052 0.000 1.112 349 D HN 0.461 nan 8.370 nan 0.000 0.561 350 A N -1.112 121.722 122.820 0.024 0.000 2.302 350 A HA 0.469 4.789 4.320 0.000 0.000 0.219 350 A C 1.018 178.606 177.584 0.006 0.000 1.243 350 A CA 0.429 52.475 52.037 0.015 0.000 0.856 350 A CB -1.013 17.996 19.000 0.014 0.000 0.893 350 A HN 0.555 nan 8.150 nan 0.000 0.491 351 G N -0.511 108.288 108.800 -0.002 0.000 2.945 351 G HA2 0.427 4.387 3.960 0.000 0.000 0.156 351 G HA3 0.427 4.387 3.960 0.000 0.000 0.156 351 G C 0.040 174.917 174.900 -0.039 0.000 1.375 351 G CA -0.982 44.108 45.100 -0.017 0.000 1.039 351 G HN 0.437 nan 8.290 nan 0.000 0.586 352 R N -0.744 119.718 120.500 -0.062 0.000 2.734 352 R HA 0.197 4.537 4.340 0.000 0.000 0.266 352 R C -0.439 175.771 176.300 -0.150 0.000 1.044 352 R CA -0.065 55.983 56.100 -0.087 0.000 1.128 352 R CB 0.291 30.540 30.300 -0.085 0.000 1.010 352 R HN 0.191 nan 8.270 nan 0.000 0.461 353 L N 3.633 124.783 121.223 -0.121 0.000 2.290 353 L HA 0.156 4.496 4.340 0.000 0.000 0.284 353 L C 0.586 177.359 176.870 -0.163 0.000 1.078 353 L CA -0.340 54.432 54.840 -0.113 0.000 0.815 353 L CB 0.468 42.487 42.059 -0.066 0.000 1.162 353 L HN 0.389 nan 8.230 nan 0.000 0.435 354 H N 4.082 123.146 119.070 -0.010 0.000 2.848 354 H HA 0.034 4.590 4.556 0.000 0.000 0.341 354 H C -1.547 173.761 175.328 -0.034 0.000 1.060 354 H CA -1.420 54.627 56.048 -0.002 0.000 1.444 354 H CB 0.936 30.708 29.762 0.016 0.000 1.446 354 H HN 0.394 nan 8.280 nan 0.000 0.583 355 P HA -0.161 nan 4.420 nan 0.000 0.216 355 P C 1.077 178.365 177.300 -0.019 0.000 1.150 355 P CA 1.322 64.393 63.100 -0.049 0.000 0.843 355 P CB 0.392 32.144 31.700 0.088 0.000 0.787 356 E N -1.137 119.157 120.200 0.157 0.000 2.118 356 E HA -0.145 4.205 4.350 0.000 0.000 0.195 356 E C 1.955 178.626 176.600 0.118 0.000 0.992 356 E CA 1.717 58.233 56.400 0.192 0.000 0.804 356 E CB -1.334 28.441 29.700 0.125 0.000 0.741 356 E HN 0.254 nan 8.360 nan 0.000 0.458 357 T N 0.213 114.814 114.554 0.079 0.000 2.708 357 T HA -0.141 4.209 4.350 0.000 0.000 0.266 357 T C 2.021 176.715 174.700 -0.011 0.000 1.037 357 T CA 1.341 63.470 62.100 0.048 0.000 1.146 357 T CB -0.356 68.554 68.868 0.069 0.000 0.865 357 T HN -0.016 nan 8.240 nan 0.000 0.435 358 V N 0.901 120.746 119.914 -0.116 0.000 2.295 358 V HA -0.142 3.978 4.120 0.000 0.000 0.246 358 V C 2.187 178.171 176.094 -0.182 0.000 1.049 358 V CA 1.692 63.863 62.300 -0.215 0.000 1.024 358 V CB -0.852 30.732 31.823 -0.400 0.000 0.648 358 V HN 0.367 nan 8.190 nan 0.000 0.447 359 F N 0.583 120.539 119.950 0.010 0.000 2.186 359 F HA -0.094 4.434 4.527 0.000 0.000 0.299 359 F C 2.267 178.051 175.800 -0.026 0.000 1.090 359 F CA 1.261 59.244 58.000 -0.028 0.000 1.307 359 F CB -0.888 38.081 39.000 -0.050 0.000 1.019 359 F HN 0.196 nan 8.300 nan 0.000 0.489 360 D N -0.381 120.113 120.400 0.156 0.000 2.123 360 D HA -0.139 4.501 4.640 0.000 0.000 0.196 360 D C 2.289 178.630 176.300 0.068 0.000 0.992 360 D CA 1.898 55.953 54.000 0.091 0.000 0.833 360 D CB -0.788 40.053 40.800 0.069 0.000 0.954 360 D HN 0.183 nan 8.370 nan 0.000 0.455 361 T N 0.994 115.579 114.554 0.053 0.000 2.777 361 T HA -0.050 4.300 4.350 0.000 0.000 0.266 361 T C 2.231 176.969 174.700 0.062 0.000 1.040 361 T CA 0.459 62.585 62.100 0.043 0.000 1.141 361 T CB -0.261 68.621 68.868 0.023 0.000 0.868 361 T HN 0.109 nan 8.240 nan 0.000 0.444 362 L N 1.169 122.443 121.223 0.085 0.000 2.012 362 L HA -0.155 4.185 4.340 0.000 0.000 0.210 362 L C 2.635 179.600 176.870 0.157 0.000 1.073 362 L CA 1.420 56.346 54.840 0.144 0.000 0.748 362 L CB -0.587 41.600 42.059 0.214 0.000 0.891 362 L HN 0.271 nan 8.230 nan 0.000 0.431 363 N N -0.107 118.662 118.700 0.116 0.000 2.166 363 N HA -0.208 4.532 4.740 0.000 0.000 0.186 363 N C 1.444 177.000 175.510 0.076 0.000 1.019 363 N CA 1.439 54.544 53.050 0.092 0.000 0.856 363 N CB 0.000 38.511 38.487 0.039 0.000 0.993 363 N HN 0.214 nan 8.380 nan 0.000 0.426 364 D N -0.533 119.904 120.400 0.062 0.000 2.144 364 D HA -0.091 4.549 4.640 0.000 0.000 0.200 364 D C 1.649 177.975 176.300 0.044 0.000 0.978 364 D CA 1.142 55.169 54.000 0.045 0.000 0.833 364 D CB -0.030 40.792 40.800 0.037 0.000 0.961 364 D HN 0.467 nan 8.370 nan 0.000 0.470 365 M N -0.139 119.493 119.600 0.054 0.000 2.567 365 M HA 0.218 4.698 4.480 0.000 0.000 0.261 365 M C 0.877 177.202 176.300 0.041 0.000 1.180 365 M CA -0.097 55.228 55.300 0.042 0.000 1.143 365 M CB 0.632 33.254 32.600 0.038 0.000 1.319 365 M HN -0.190 nan 8.290 nan 0.000 0.490 366 A N 2.523 125.383 122.820 0.067 0.000 2.386 366 A HA 0.400 4.720 4.320 0.000 0.000 0.248 366 A C -2.094 175.505 177.584 0.024 0.000 1.082 366 A CA -1.101 50.964 52.037 0.046 0.000 0.789 366 A CB -0.709 18.349 19.000 0.097 0.000 1.025 366 A HN 0.121 nan 8.150 nan 0.000 0.490 367 P HA 0.067 nan 4.420 nan 0.000 0.269 367 P C 0.109 177.403 177.300 -0.009 0.000 1.215 367 P CA -0.001 63.089 63.100 -0.016 0.000 0.780 367 P CB 0.519 32.198 31.700 -0.035 0.000 0.898 368 E N 1.023 121.220 120.200 -0.004 0.000 2.265 368 E HA -0.156 4.194 4.350 0.000 0.000 0.196 368 E C 0.867 177.460 176.600 -0.011 0.000 0.996 368 E CA 0.942 57.343 56.400 0.001 0.000 0.832 368 E CB -0.216 29.480 29.700 -0.005 0.000 0.756 368 E HN 0.530 nan 8.360 nan 0.000 0.491 369 N N 0.496 119.178 118.700 -0.030 0.000 2.279 369 N HA 0.114 4.854 4.740 0.000 0.000 0.226 369 N C -0.157 175.307 175.510 -0.077 0.000 1.126 369 N CA -0.062 52.963 53.050 -0.041 0.000 0.846 369 N CB 0.131 38.597 38.487 -0.035 0.000 1.050 369 N HN -0.065 nan 8.380 nan 0.000 0.502 370 A N 0.705 123.453 122.820 -0.119 0.000 2.448 370 A HA 0.447 4.767 4.320 0.000 0.000 0.239 370 A C 0.063 177.471 177.584 -0.294 0.000 1.080 370 A CA -0.070 51.810 52.037 -0.262 0.000 0.779 370 A CB 0.079 18.811 19.000 -0.446 0.000 1.026 370 A HN 0.400 nan 8.150 nan 0.000 0.499 371 I N 0.409 120.771 120.570 -0.346 0.000 2.465 371 I HA 0.358 4.528 4.170 0.000 0.000 0.291 371 I C -1.306 174.629 176.117 -0.303 0.000 1.014 371 I CA -0.287 60.897 61.300 -0.193 0.000 1.093 371 I CB 1.602 39.588 38.000 -0.023 0.000 1.267 371 I HN 0.611 nan 8.210 nan 0.000 0.431 372 Y N 5.895 126.217 120.300 0.036 0.000 2.387 372 Y HA 0.661 5.211 4.550 0.000 0.000 0.336 372 Y C -0.483 175.415 175.900 -0.004 0.000 1.067 372 Y CA -0.847 57.267 58.100 0.024 0.000 1.114 372 Y CB 1.537 40.020 38.460 0.039 0.000 1.208 372 Y HN 0.294 nan 8.280 nan 0.000 0.458 373 L N 2.707 124.017 121.223 0.145 0.000 2.362 373 L HA 0.461 4.801 4.340 0.000 0.000 0.271 373 L C -0.681 176.238 176.870 0.081 0.000 1.002 373 L CA -0.664 54.212 54.840 0.060 0.000 0.818 373 L CB 1.676 43.777 42.059 0.070 0.000 1.298 373 L HN 0.565 nan 8.230 nan 0.000 0.420 374 N N 1.536 120.260 118.700 0.041 0.000 2.443 374 N HA 0.302 5.042 4.740 0.000 0.000 0.269 374 N C -0.847 174.845 175.510 0.303 0.000 0.985 374 N CA -0.228 52.941 53.050 0.199 0.000 0.921 374 N CB 1.344 39.970 38.487 0.231 0.000 1.195 374 N HN 0.693 nan 8.380 nan 0.000 0.492 375 E N 1.946 122.301 120.200 0.258 0.000 4.017 375 E HA 0.145 4.495 4.350 0.000 0.000 0.205 375 E C -1.333 175.408 176.600 0.234 0.000 1.054 375 E CA -0.125 56.415 56.400 0.233 0.000 1.398 375 E CB 0.172 29.964 29.700 0.154 0.000 1.164 375 E HN 0.344 nan 8.360 nan 0.000 0.445 376 S N 0.291 116.159 115.700 0.280 0.000 2.426 376 S HA 0.109 4.580 4.470 0.000 0.000 0.236 376 S C 1.130 175.891 174.600 0.269 0.000 1.368 376 S CA -0.253 58.099 58.200 0.254 0.000 1.154 376 S CB 0.457 63.816 63.200 0.265 0.000 1.037 376 S HN 0.392 nan 8.310 nan 0.000 0.481 377 T N 0.665 115.378 114.554 0.264 0.000 2.962 377 T HA -0.098 4.252 4.350 0.000 0.000 0.270 377 T C 1.782 176.600 174.700 0.196 0.000 1.088 377 T CA 1.272 63.541 62.100 0.280 0.000 1.127 377 T CB -0.420 68.618 68.868 0.282 0.000 0.883 377 T HN 0.659 nan 8.240 nan 0.000 0.493 378 S N 1.451 117.245 115.700 0.157 0.000 2.593 378 S HA 0.042 4.512 4.470 0.000 0.000 0.217 378 S C 1.688 176.310 174.600 0.038 0.000 0.966 378 S CA 0.404 58.636 58.200 0.053 0.000 0.914 378 S CB -0.613 62.630 63.200 0.071 0.000 0.776 378 S HN 0.713 nan 8.310 nan 0.000 0.523 379 T N -3.186 111.446 114.554 0.131 0.000 3.084 379 T HA 0.225 4.575 4.350 0.000 0.000 0.270 379 T C 1.231 175.998 174.700 0.111 0.000 1.008 379 T CA 0.185 62.395 62.100 0.185 0.000 0.900 379 T CB -0.172 68.925 68.868 0.383 0.000 1.084 379 T HN 0.167 nan 8.240 nan 0.000 0.538 380 T N 2.298 116.896 114.554 0.073 0.000 2.720 380 T HA -0.010 4.340 4.350 0.000 0.000 0.268 380 T C 2.398 177.128 174.700 0.051 0.000 1.037 380 T CA 1.569 63.704 62.100 0.058 0.000 1.144 380 T CB -0.662 68.231 68.868 0.041 0.000 0.864 380 T HN 0.628 nan 8.240 nan 0.000 0.444 381 A N 1.407 124.228 122.820 0.002 0.000 1.902 381 A HA -0.153 4.167 4.320 0.000 0.000 0.217 381 A C 2.390 179.971 177.584 -0.005 0.000 1.181 381 A CA 1.229 53.265 52.037 -0.003 0.000 0.623 381 A CB -0.508 18.458 19.000 -0.057 0.000 0.818 381 A HN 0.324 nan 8.150 nan 0.000 0.443 382 Q N -1.072 118.709 119.800 -0.033 0.000 2.119 382 Q HA -0.154 4.186 4.340 0.000 0.000 0.201 382 Q C 2.113 177.946 176.000 -0.279 0.000 0.972 382 Q CA 1.608 57.385 55.803 -0.045 0.000 0.847 382 Q CB -0.482 28.314 28.738 0.097 0.000 0.903 382 Q HN 0.827 nan 8.270 nan 0.000 0.433 383 M N -1.149 118.059 119.600 -0.653 0.000 2.086 383 M HA -0.192 4.288 4.480 0.000 0.000 0.261 383 M C 1.536 177.484 176.300 -0.585 0.000 1.067 383 M CA 1.625 56.210 55.300 -1.193 0.000 1.116 383 M CB -0.192 31.696 32.600 -1.186 0.000 1.348 383 M HN 0.192 nan 8.290 nan 0.000 0.407 384 W N 0.697 121.766 121.300 -0.384 0.000 2.392 384 W HA -0.154 4.506 4.660 0.000 0.000 0.279 384 W C 2.295 178.712 176.519 -0.170 0.000 1.225 384 W CA 1.184 58.360 57.345 -0.282 0.000 1.233 384 W CB -0.067 29.256 29.460 -0.228 0.000 1.122 384 W HN 0.369 nan 8.180 nan 0.000 0.561 385 Q N -0.766 119.072 119.800 0.063 0.000 2.331 385 Q HA -0.010 4.330 4.340 0.000 0.000 0.203 385 Q C 1.832 177.828 176.000 -0.006 0.000 0.944 385 Q CA 0.822 56.655 55.803 0.050 0.000 0.892 385 Q CB -0.007 28.748 28.738 0.028 0.000 0.983 385 Q HN 0.297 nan 8.270 nan 0.000 0.482 386 R N -0.522 119.927 120.500 -0.085 0.000 2.365 386 R HA 0.246 4.586 4.340 0.000 0.000 0.223 386 R C -0.137 176.100 176.300 -0.104 0.000 0.899 386 R CA -0.031 56.034 56.100 -0.059 0.000 1.059 386 R CB 0.733 31.039 30.300 0.010 0.000 1.086 386 R HN 0.058 nan 8.270 nan 0.000 0.522 387 L N 1.566 122.660 121.223 -0.215 0.000 2.287 387 L HA 0.295 4.635 4.340 0.000 0.000 0.287 387 L C -0.362 176.398 176.870 -0.184 0.000 1.022 387 L CA -0.517 54.160 54.840 -0.272 0.000 0.814 387 L CB 1.512 43.226 42.059 -0.575 0.000 1.217 387 L HN 0.095 nan 8.230 nan 0.000 0.420 388 N N 4.933 123.576 118.700 -0.095 0.000 2.402 388 N HA 0.318 5.058 4.740 0.000 0.000 0.252 388 N C -0.810 174.670 175.510 -0.049 0.000 1.118 388 N CA -0.408 52.598 53.050 -0.073 0.000 0.945 388 N CB 0.541 39.007 38.487 -0.035 0.000 1.147 388 N HN 0.574 nan 8.380 nan 0.000 0.495 389 M N 3.771 123.314 119.600 -0.096 0.000 2.065 389 M HA 0.235 4.715 4.480 0.000 0.000 0.332 389 M C 0.736 176.971 176.300 -0.108 0.000 0.988 389 M CA -0.432 54.826 55.300 -0.069 0.000 0.944 389 M CB 1.425 33.960 32.600 -0.109 0.000 1.357 389 M HN 0.468 nan 8.290 nan 0.000 0.388 390 R N 0.259 120.715 120.500 -0.073 0.000 2.153 390 R HA 0.118 4.458 4.340 0.000 0.000 0.218 390 R C 0.351 176.595 176.300 -0.094 0.000 1.072 390 R CA 0.738 56.784 56.100 -0.089 0.000 0.990 390 R CB 0.191 30.455 30.300 -0.060 0.000 0.889 390 R HN 0.583 nan 8.270 nan 0.000 0.452 391 N N 0.775 119.435 118.700 -0.068 0.000 2.443 391 N HA 0.302 5.042 4.740 0.000 0.000 0.293 391 N C -2.629 172.852 175.510 -0.049 0.000 1.159 391 N CA -1.710 51.306 53.050 -0.056 0.000 0.904 391 N CB 1.265 39.730 38.487 -0.036 0.000 1.214 391 N HN -0.224 nan 8.380 nan 0.000 0.513 392 P HA 0.104 nan 4.420 nan 0.000 0.271 392 P C 0.538 177.837 177.300 -0.002 0.000 1.244 392 P CA 0.277 63.366 63.100 -0.018 0.000 0.793 392 P CB 0.263 31.958 31.700 -0.008 0.000 0.984 393 G N 0.049 108.852 108.800 0.005 0.000 2.249 393 G HA2 -0.258 3.702 3.960 0.000 0.000 0.273 393 G HA3 -0.258 3.702 3.960 0.000 0.000 0.273 393 G C 0.656 175.568 174.900 0.020 0.000 1.036 393 G CA 0.488 45.614 45.100 0.043 0.000 0.824 393 G HN 0.447 nan 8.290 nan 0.000 0.504 394 S N -1.559 114.115 115.700 -0.044 0.000 2.539 394 S HA 0.398 4.868 4.470 0.000 0.000 0.221 394 S C -0.068 174.572 174.600 0.067 0.000 0.987 394 S CA 0.234 58.445 58.200 0.019 0.000 0.929 394 S CB 0.501 63.717 63.200 0.027 0.000 0.832 394 S HN 0.766 nan 8.310 nan 0.000 0.492 395 Y N 0.649 120.760 120.300 -0.315 0.000 2.442 395 Y HA 0.543 5.093 4.550 0.000 0.000 0.330 395 Y C -2.169 173.406 175.900 -0.541 0.000 1.100 395 Y CA -1.240 56.694 58.100 -0.275 0.000 1.034 395 Y CB 1.020 39.286 38.460 -0.324 0.000 1.285 395 Y HN 0.043 nan 8.280 nan 0.000 0.440 396 Y N 6.360 126.443 120.300 -0.363 0.000 2.457 396 Y HA 0.587 5.137 4.550 0.000 0.000 0.343 396 Y C -1.430 174.345 175.900 -0.210 0.000 0.994 396 Y CA -1.193 56.843 58.100 -0.105 0.000 1.031 396 Y CB 2.168 40.738 38.460 0.184 0.000 1.246 396 Y HN 0.582 nan 8.280 nan 0.000 0.449 397 F N 2.796 122.717 119.950 -0.048 0.000 2.581 397 F HA 0.549 5.076 4.527 0.000 0.000 0.311 397 F C -0.340 175.360 175.800 -0.166 0.000 1.113 397 F CA -1.795 56.195 58.000 -0.016 0.000 0.935 397 F CB 0.914 39.972 39.000 0.098 0.000 1.232 397 F HN 0.744 nan 8.300 nan 0.000 0.445 398 C N 4.379 123.081 119.300 -0.996 0.000 2.255 398 C HA 0.395 4.855 4.460 0.000 0.000 0.401 398 C C 1.559 176.080 174.990 -0.783 0.000 1.529 398 C CA 0.037 58.400 59.018 -1.092 0.000 1.418 398 C CB -1.339 25.952 27.740 -0.749 0.000 2.522 398 C HN 1.036 nan 8.230 nan 0.000 0.616 399 A N 3.274 125.774 122.820 -0.533 0.000 2.066 399 A HA 0.311 4.631 4.320 0.000 0.000 0.218 399 A C 2.215 179.723 177.584 -0.127 0.000 1.157 399 A CA 1.412 53.327 52.037 -0.203 0.000 0.670 399 A CB -0.365 18.529 19.000 -0.176 0.000 0.804 399 A HN 1.601 nan 8.150 nan 0.000 0.453 400 A N -1.964 120.748 122.820 -0.179 0.000 2.387 400 A HA 0.458 4.778 4.320 0.000 0.000 0.234 400 A C 1.635 179.134 177.584 -0.141 0.000 1.253 400 A CA 0.979 52.951 52.037 -0.108 0.000 0.894 400 A CB -0.719 18.241 19.000 -0.068 0.000 0.963 400 A HN 1.736 nan 8.150 nan 0.000 0.508 401 G N -1.189 107.477 108.800 -0.222 0.000 2.162 401 G HA2 -0.106 3.854 3.960 0.000 0.000 0.260 401 G HA3 -0.106 3.854 3.960 0.000 0.000 0.260 401 G C 0.675 175.434 174.900 -0.235 0.000 0.976 401 G CA 0.236 45.207 45.100 -0.216 0.000 0.655 401 G HN 1.460 nan 8.290 nan 0.000 0.533 402 G N 0.289 108.944 108.800 -0.242 0.000 2.351 402 G HA2 0.585 4.545 3.960 0.000 0.000 0.287 402 G HA3 0.585 4.545 3.960 0.000 0.000 0.287 402 G C 0.535 175.289 174.900 -0.243 0.000 1.159 402 G CA -0.556 44.420 45.100 -0.208 0.000 0.929 402 G HN 0.623 nan 8.290 nan 0.000 0.435 403 L N 1.801 122.803 121.223 -0.368 0.000 2.467 403 L HA 0.412 4.752 4.340 0.000 0.000 0.270 403 L C 1.564 178.229 176.870 -0.341 0.000 1.205 403 L CA 0.812 55.374 54.840 -0.463 0.000 0.828 403 L CB 0.744 42.273 42.059 -0.883 0.000 1.101 403 L HN 0.834 nan 8.230 nan 0.000 0.479 404 G N 1.257 110.001 108.800 -0.094 0.000 2.179 404 G HA2 -0.319 3.641 3.960 0.000 0.000 0.220 404 G HA3 -0.319 3.641 3.960 0.000 0.000 0.220 404 G C 0.287 175.245 174.900 0.098 0.000 0.990 404 G CA 0.344 45.495 45.100 0.085 0.000 0.646 404 G HN 0.651 nan 8.290 nan 0.000 0.517 405 F N 1.701 121.609 119.950 -0.069 0.000 2.147 405 F HA 0.484 5.011 4.527 0.000 0.000 0.291 405 F C 2.506 178.289 175.800 -0.028 0.000 1.093 405 F CA 2.078 60.039 58.000 -0.065 0.000 1.263 405 F CB -0.445 38.482 39.000 -0.122 0.000 1.036 405 F HN 0.238 nan 8.300 nan 0.000 0.481 406 A N 0.870 123.642 122.820 -0.080 0.000 1.930 406 A HA -0.106 4.214 4.320 0.000 0.000 0.217 406 A C 2.294 179.806 177.584 -0.121 0.000 1.175 406 A CA 1.605 53.532 52.037 -0.183 0.000 0.627 406 A CB -1.241 17.807 19.000 0.080 0.000 0.815 406 A HN 0.582 nan 8.150 nan 0.000 0.443 407 L N 0.197 121.428 121.223 0.013 0.000 1.976 407 L HA -0.083 4.257 4.340 0.000 0.000 0.209 407 L C -0.409 176.513 176.870 0.086 0.000 1.071 407 L CA 1.936 56.860 54.840 0.139 0.000 0.746 407 L CB -0.756 41.361 42.059 0.097 0.000 0.890 407 L HN 0.255 nan 8.230 nan 0.000 0.432 408 P HA -0.148 nan 4.420 nan 0.000 0.216 408 P C 1.294 178.484 177.300 -0.183 0.000 1.153 408 P CA 1.984 65.043 63.100 -0.069 0.000 0.844 408 P CB -0.108 31.547 31.700 -0.074 0.000 0.787 409 A N 0.701 123.265 122.820 -0.427 0.000 1.972 409 A HA -0.065 4.255 4.320 0.000 0.000 0.219 409 A C 2.482 179.839 177.584 -0.379 0.000 1.169 409 A CA 2.074 53.755 52.037 -0.592 0.000 0.635 409 A CB -1.540 16.636 19.000 -1.375 0.000 0.810 409 A HN 0.231 nan 8.150 nan 0.000 0.446 410 A N -0.150 122.514 122.820 -0.261 0.000 2.019 410 A HA -0.052 4.268 4.320 0.000 0.000 0.219 410 A C 2.050 179.555 177.584 -0.133 0.000 1.164 410 A CA 1.445 53.372 52.037 -0.183 0.000 0.644 410 A CB -0.555 18.352 19.000 -0.156 0.000 0.805 410 A HN 0.530 nan 8.150 nan 0.000 0.449 411 I N -0.610 119.934 120.570 -0.044 0.000 2.233 411 I HA -0.138 4.032 4.170 0.000 0.000 0.243 411 I C 2.699 178.811 176.117 -0.007 0.000 1.093 411 I CA 1.085 62.394 61.300 0.015 0.000 1.380 411 I CB -0.611 37.448 38.000 0.098 0.000 1.067 411 I HN 0.369 nan 8.210 nan 0.000 0.413 412 G N 0.542 109.309 108.800 -0.055 0.000 2.408 412 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 412 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 412 G C 1.722 176.636 174.900 0.023 0.000 1.150 412 G CA 0.715 45.812 45.100 -0.005 0.000 0.776 412 G HN 0.219 nan 8.290 nan 0.000 0.542 413 V N 0.589 120.429 119.914 -0.123 0.000 2.343 413 V HA -0.225 3.895 4.120 0.000 0.000 0.247 413 V C 2.770 178.828 176.094 -0.060 0.000 1.051 413 V CA 2.278 64.489 62.300 -0.149 0.000 1.036 413 V CB -0.415 31.262 31.823 -0.243 0.000 0.654 413 V HN 0.439 nan 8.190 nan 0.000 0.451 414 Q N -0.232 119.536 119.800 -0.053 0.000 2.167 414 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 414 Q C 1.931 177.946 176.000 0.025 0.000 0.970 414 Q CA 1.651 57.434 55.803 -0.033 0.000 0.855 414 Q CB -0.483 28.217 28.738 -0.062 0.000 0.911 414 Q HN 0.544 nan 8.270 nan 0.000 0.438 415 L N -0.054 121.218 121.223 0.083 0.000 2.046 415 L HA -0.037 4.303 4.340 0.000 0.000 0.208 415 L C 2.047 179.061 176.870 0.240 0.000 1.077 415 L CA 2.137 57.074 54.840 0.161 0.000 0.747 415 L CB -0.912 41.263 42.059 0.193 0.000 0.896 415 L HN 0.256 nan 8.230 nan 0.000 0.432 416 A N -1.521 121.423 122.820 0.206 0.000 1.969 416 A HA -0.063 4.257 4.320 0.000 0.000 0.218 416 A C 1.192 178.759 177.584 -0.028 0.000 1.169 416 A CA 1.204 53.226 52.037 -0.025 0.000 0.635 416 A CB -0.238 18.588 19.000 -0.289 0.000 0.810 416 A HN 0.452 nan 8.150 nan 0.000 0.445 417 E N -0.551 119.642 120.200 -0.011 0.000 3.568 417 E HA 0.164 4.514 4.350 0.000 0.000 0.213 417 E C -2.151 174.443 176.600 -0.010 0.000 1.197 417 E CA -1.627 54.763 56.400 -0.017 0.000 1.126 417 E CB 0.812 30.497 29.700 -0.024 0.000 1.285 417 E HN 0.403 nan 8.360 nan 0.000 0.418 418 P HA -0.120 nan 4.420 nan 0.000 0.222 418 P C 0.637 177.930 177.300 -0.011 0.000 1.147 418 P CA 1.013 64.114 63.100 0.002 0.000 0.790 418 P CB 0.505 32.213 31.700 0.014 0.000 0.780 419 E N -0.610 119.581 120.200 -0.014 0.000 2.478 419 E HA 0.062 4.412 4.350 0.000 0.000 0.194 419 E C 0.570 177.152 176.600 -0.030 0.000 1.045 419 E CA 0.053 56.442 56.400 -0.019 0.000 0.868 419 E CB 0.104 29.795 29.700 -0.015 0.000 0.885 419 E HN 0.323 nan 8.360 nan 0.000 0.505 420 R N 1.661 122.139 120.500 -0.037 0.000 2.343 420 R HA 0.203 4.543 4.340 0.000 0.000 0.320 420 R C -0.489 175.765 176.300 -0.077 0.000 0.956 420 R CA -0.683 55.384 56.100 -0.054 0.000 0.836 420 R CB 1.266 31.538 30.300 -0.048 0.000 1.151 420 R HN -0.089 nan 8.270 nan 0.000 0.450 421 Q N 2.512 122.254 119.800 -0.096 0.000 2.271 421 Q HA 0.109 4.449 4.340 0.000 0.000 0.273 421 Q C -0.843 175.052 176.000 -0.176 0.000 1.051 421 Q CA 0.121 55.853 55.803 -0.120 0.000 0.901 421 Q CB 0.972 29.642 28.738 -0.114 0.000 1.174 421 Q HN 0.385 nan 8.270 nan 0.000 0.385 422 V N 6.702 126.513 119.914 -0.172 0.000 2.465 422 V HA 0.415 4.535 4.120 0.000 0.000 0.279 422 V C 0.109 176.059 176.094 -0.240 0.000 1.045 422 V CA -0.425 61.753 62.300 -0.204 0.000 0.938 422 V CB 1.057 32.775 31.823 -0.176 0.000 0.986 422 V HN 0.728 nan 8.190 nan 0.000 0.467 423 I N 4.158 124.586 120.570 -0.237 0.000 2.468 423 I HA 0.599 4.770 4.170 0.000 0.000 0.284 423 I C 0.098 176.194 176.117 -0.035 0.000 1.038 423 I CA -0.510 60.699 61.300 -0.151 0.000 1.083 423 I CB 1.724 39.667 38.000 -0.094 0.000 1.223 423 I HN 0.640 nan 8.210 nan 0.000 0.443 424 A N 6.594 129.369 122.820 -0.074 0.000 2.260 424 A HA 0.714 5.034 4.320 0.000 0.000 0.308 424 A C -0.416 177.239 177.584 0.118 0.000 1.254 424 A CA -0.438 51.617 52.037 0.029 0.000 0.874 424 A CB 0.841 19.841 19.000 -0.000 0.000 1.153 424 A HN 0.459 nan 8.150 nan 0.000 0.527 425 V N 4.939 124.958 119.914 0.175 0.000 2.311 425 V HA 0.386 4.506 4.120 0.000 0.000 0.275 425 V C -0.290 175.911 176.094 0.178 0.000 1.022 425 V CA 0.063 62.475 62.300 0.186 0.000 0.830 425 V CB 0.286 32.280 31.823 0.286 0.000 1.012 425 V HN 0.722 nan 8.190 nan 0.000 0.452 426 I N 3.643 124.290 120.570 0.129 0.000 2.498 426 I HA 0.575 4.745 4.170 0.000 0.000 0.290 426 I C 0.926 177.082 176.117 0.065 0.000 1.032 426 I CA -0.511 60.862 61.300 0.120 0.000 1.073 426 I CB 2.063 40.136 38.000 0.122 0.000 1.251 426 I HN 0.649 nan 8.210 nan 0.000 0.426 427 G N 2.930 111.796 108.800 0.109 0.000 2.594 427 G HA2 0.054 4.014 3.960 0.000 0.000 0.243 427 G HA3 0.054 4.014 3.960 0.000 0.000 0.243 427 G C 0.844 175.763 174.900 0.031 0.000 1.229 427 G CA -0.248 44.906 45.100 0.090 0.000 0.843 427 G HN 0.829 nan 8.290 nan 0.000 0.578 428 D N 0.474 120.866 120.400 -0.013 0.000 2.178 428 D HA -0.115 4.525 4.640 0.000 0.000 0.201 428 D C 2.123 178.580 176.300 0.263 0.000 0.980 428 D CA 1.384 55.379 54.000 -0.009 0.000 0.842 428 D CB -0.796 40.080 40.800 0.127 0.000 0.948 428 D HN 0.463 nan 8.370 nan 0.000 0.472 429 G N 0.454 109.430 108.800 0.293 0.000 2.414 429 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 429 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 429 G C 1.875 177.112 174.900 0.562 0.000 1.188 429 G CA 1.041 46.431 45.100 0.482 0.000 0.783 429 G HN 0.348 nan 8.290 nan 0.000 0.537 430 S N 1.134 117.111 115.700 0.463 0.000 2.400 430 S HA -0.040 4.430 4.470 0.000 0.000 0.232 430 S C 2.717 177.565 174.600 0.413 0.000 1.025 430 S CA 1.135 59.591 58.200 0.427 0.000 0.993 430 S CB -0.342 62.992 63.200 0.223 0.000 0.808 430 S HN 0.587 nan 8.310 nan 0.000 0.478 431 A N 2.570 125.564 122.820 0.290 0.000 2.024 431 A HA -0.142 4.178 4.320 0.000 0.000 0.220 431 A C 1.851 179.605 177.584 0.284 0.000 1.164 431 A CA 1.337 53.516 52.037 0.237 0.000 0.643 431 A CB -0.498 18.588 19.000 0.142 0.000 0.806 431 A HN 0.507 nan 8.150 nan 0.000 0.451 432 N N -1.274 117.608 118.700 0.304 0.000 2.331 432 N HA -0.120 4.620 4.740 0.000 0.000 0.180 432 N C 1.376 176.949 175.510 0.105 0.000 1.019 432 N CA 1.223 54.372 53.050 0.165 0.000 0.881 432 N CB -0.439 38.081 38.487 0.056 0.000 0.972 432 N HN 0.639 nan 8.380 nan 0.000 0.435 433 Y N 1.425 121.800 120.300 0.124 0.000 2.165 433 Y HA -0.071 4.479 4.550 0.000 0.000 0.286 433 Y C 1.563 177.503 175.900 0.066 0.000 1.155 433 Y CA 1.039 59.193 58.100 0.091 0.000 1.164 433 Y CB -0.032 38.478 38.460 0.083 0.000 0.978 433 Y HN -0.077 nan 8.280 nan 0.000 0.513 434 S N -0.689 115.137 115.700 0.211 0.000 2.668 434 S HA 0.140 4.610 4.470 0.000 0.000 0.244 434 S C 1.149 175.784 174.600 0.058 0.000 1.140 434 S CA -0.311 57.955 58.200 0.109 0.000 1.134 434 S CB -0.105 63.147 63.200 0.087 0.000 0.954 434 S HN 0.235 nan 8.310 nan 0.000 0.490 435 I N 2.743 123.360 120.570 0.079 0.000 2.335 435 I HA -0.179 3.991 4.170 0.000 0.000 0.251 435 I C 2.282 178.377 176.117 -0.037 0.000 1.129 435 I CA 1.651 62.995 61.300 0.074 0.000 1.402 435 I CB -0.177 37.917 38.000 0.156 0.000 1.069 435 I HN 0.460 nan 8.210 nan 0.000 0.424 436 S N 0.409 116.038 115.700 -0.117 0.000 2.507 436 S HA 0.031 4.501 4.470 0.000 0.000 0.235 436 S C 2.130 176.488 174.600 -0.403 0.000 0.988 436 S CA 0.519 58.416 58.200 -0.506 0.000 0.944 436 S CB -0.786 62.229 63.200 -0.309 0.000 0.762 436 S HN 0.466 nan 8.310 nan 0.000 0.526 437 A N 2.001 124.722 122.820 -0.166 0.000 2.070 437 A HA 0.151 4.471 4.320 0.000 0.000 0.220 437 A C 2.126 179.669 177.584 -0.068 0.000 1.159 437 A CA 1.019 53.017 52.037 -0.065 0.000 0.656 437 A CB -0.802 18.186 19.000 -0.021 0.000 0.800 437 A HN 0.573 nan 8.150 nan 0.000 0.453 438 L N -2.530 118.587 121.223 -0.177 0.000 2.081 438 L HA -0.252 4.089 4.340 0.000 0.000 0.212 438 L C 2.433 179.309 176.870 0.009 0.000 1.080 438 L CA 1.773 56.522 54.840 -0.152 0.000 0.754 438 L CB -0.485 41.504 42.059 -0.117 0.000 0.893 438 L HN 0.778 nan 8.230 nan 0.000 0.433 439 W N 0.842 121.995 121.300 -0.245 0.000 2.342 439 W HA -0.224 4.436 4.660 0.000 0.000 0.297 439 W C 2.506 179.030 176.519 0.009 0.000 1.213 439 W CA 2.107 59.398 57.345 -0.090 0.000 1.251 439 W CB -0.264 29.073 29.460 -0.205 0.000 1.136 439 W HN -0.027 nan 8.180 nan 0.000 0.526 440 T N 0.423 115.084 114.554 0.179 0.000 2.788 440 T HA -0.184 4.166 4.350 0.000 0.000 0.268 440 T C 1.966 176.729 174.700 0.106 0.000 1.044 440 T CA 1.841 64.041 62.100 0.168 0.000 1.139 440 T CB -0.876 68.149 68.868 0.263 0.000 0.867 440 T HN 0.253 nan 8.240 nan 0.000 0.454 441 A N 1.559 124.437 122.820 0.098 0.000 1.883 441 A HA 0.096 4.416 4.320 0.000 0.000 0.217 441 A C 2.650 180.250 177.584 0.028 0.000 1.186 441 A CA 1.938 54.047 52.037 0.120 0.000 0.624 441 A CB -1.165 17.978 19.000 0.239 0.000 0.822 441 A HN 0.510 nan 8.150 nan 0.000 0.444 442 A N -1.236 121.547 122.820 -0.062 0.000 1.877 442 A HA -0.186 4.134 4.320 0.000 0.000 0.216 442 A C 2.150 179.563 177.584 -0.286 0.000 1.186 442 A CA 1.677 53.629 52.037 -0.142 0.000 0.620 442 A CB -0.522 18.395 19.000 -0.139 0.000 0.822 442 A HN 0.502 nan 8.150 nan 0.000 0.443 443 Q N -1.328 118.138 119.800 -0.557 0.000 2.084 443 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 443 Q C 1.403 177.034 176.000 -0.616 0.000 0.978 443 Q CA 1.546 56.895 55.803 -0.758 0.000 0.844 443 Q CB -0.337 27.580 28.738 -1.368 0.000 0.898 443 Q HN 0.882 nan 8.270 nan 0.000 0.426 444 Y N 0.021 120.190 120.300 -0.219 0.000 2.466 444 Y HA 0.089 4.639 4.550 0.000 0.000 0.272 444 Y C 0.457 176.311 175.900 -0.077 0.000 1.169 444 Y CA -0.187 57.841 58.100 -0.119 0.000 1.285 444 Y CB -0.025 38.384 38.460 -0.085 0.000 1.078 444 Y HN 0.151 nan 8.280 nan 0.000 0.523 445 N N 1.181 119.888 118.700 0.011 0.000 2.714 445 N HA -0.228 4.512 4.740 0.000 0.000 0.253 445 N C -1.122 174.414 175.510 0.045 0.000 1.024 445 N CA 0.267 53.324 53.050 0.013 0.000 0.726 445 N CB -1.300 37.184 38.487 -0.006 0.000 0.908 445 N HN 0.369 nan 8.380 nan 0.000 0.542 446 I N 1.242 121.853 120.570 0.067 0.000 2.301 446 I HA 0.223 4.393 4.170 0.000 0.000 0.292 446 I C -1.468 174.673 176.117 0.038 0.000 1.046 446 I CA -1.816 59.518 61.300 0.057 0.000 1.282 446 I CB 1.221 39.265 38.000 0.074 0.000 1.409 446 I HN 0.099 nan 8.210 nan 0.000 0.484 447 P HA 0.083 nan 4.420 nan 0.000 0.220 447 P C -0.139 177.120 177.300 -0.070 0.000 1.793 447 P CA -0.286 62.808 63.100 -0.009 0.000 0.917 447 P CB -0.432 31.261 31.700 -0.012 0.000 1.755 448 T N 1.515 115.995 114.554 -0.123 0.000 2.940 448 T HA 0.162 4.512 4.350 0.000 0.000 0.309 448 T C 0.813 175.255 174.700 -0.430 0.000 1.056 448 T CA 0.525 62.414 62.100 -0.352 0.000 1.137 448 T CB 0.525 69.052 68.868 -0.569 0.000 0.976 448 T HN 0.106 nan 8.240 nan 0.000 0.547 449 I N 2.963 123.273 120.570 -0.433 0.000 2.336 449 I HA 0.373 4.543 4.170 0.000 0.000 0.292 449 I C -0.702 175.167 176.117 -0.413 0.000 0.991 449 I CA -0.604 60.528 61.300 -0.280 0.000 1.227 449 I CB 0.879 38.805 38.000 -0.122 0.000 1.366 449 I HN 0.503 nan 8.210 nan 0.000 0.466 450 F N 5.675 125.638 119.950 0.021 0.000 2.402 450 F HA 0.433 4.960 4.527 0.000 0.000 0.355 450 F C -0.079 175.729 175.800 0.013 0.000 1.123 450 F CA -0.893 57.120 58.000 0.022 0.000 1.021 450 F CB 1.464 40.481 39.000 0.029 0.000 1.160 450 F HN 0.008 nan 8.300 nan 0.000 0.451 451 V N 5.582 125.582 119.914 0.145 0.000 2.311 451 V HA 0.319 4.439 4.120 0.000 0.000 0.275 451 V C -0.039 176.073 176.094 0.030 0.000 1.022 451 V CA -0.625 61.717 62.300 0.071 0.000 0.830 451 V CB 0.924 32.774 31.823 0.046 0.000 1.012 451 V HN 0.424 nan 8.190 nan 0.000 0.452 452 I N 5.959 126.507 120.570 -0.038 0.000 2.312 452 I HA 0.335 4.505 4.170 0.000 0.000 0.291 452 I C 0.232 176.255 176.117 -0.156 0.000 1.031 452 I CA -0.456 60.736 61.300 -0.180 0.000 1.293 452 I CB 1.322 39.047 38.000 -0.459 0.000 1.403 452 I HN 0.448 nan 8.210 nan 0.000 0.484 453 M N 5.716 125.248 119.600 -0.113 0.000 2.319 453 M HA 0.142 4.622 4.480 0.000 0.000 0.343 453 M C 0.149 176.411 176.300 -0.063 0.000 1.364 453 M CA -0.092 55.167 55.300 -0.069 0.000 1.292 453 M CB -0.698 31.889 32.600 -0.021 0.000 1.432 453 M HN 0.359 nan 8.290 nan 0.000 0.448 454 N N 3.629 122.297 118.700 -0.054 0.000 2.558 454 N HA 0.138 4.878 4.740 0.000 0.000 0.233 454 N C 0.134 175.665 175.510 0.036 0.000 1.038 454 N CA -0.107 52.945 53.050 0.003 0.000 0.934 454 N CB 0.388 38.910 38.487 0.058 0.000 1.175 454 N HN 0.443 nan 8.380 nan 0.000 0.512 455 N N 2.226 120.956 118.700 0.050 0.000 2.184 455 N HA 0.173 4.913 4.740 0.000 0.000 0.206 455 N C 1.013 176.559 175.510 0.059 0.000 1.151 455 N CA 0.232 53.313 53.050 0.052 0.000 0.878 455 N CB 0.121 38.644 38.487 0.060 0.000 1.014 455 N HN 0.459 nan 8.380 nan 0.000 0.512 456 G N -1.329 107.511 108.800 0.066 0.000 2.162 456 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 456 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 456 G C 0.017 174.921 174.900 0.007 0.000 0.976 456 G CA 0.780 45.907 45.100 0.045 0.000 0.655 456 G HN 0.776 nan 8.290 nan 0.000 0.533 457 T N -1.494 113.074 114.554 0.022 0.000 2.843 457 T HA 0.540 4.890 4.350 0.000 0.000 0.302 457 T C -1.111 173.644 174.700 0.090 0.000 1.232 457 T CA -0.567 61.542 62.100 0.015 0.000 1.009 457 T CB 0.889 69.806 68.868 0.082 0.000 1.254 457 T HN 0.280 nan 8.240 nan 0.000 0.504 458 Y N 2.681 123.072 120.300 0.152 0.000 2.570 458 Y HA 0.305 4.855 4.550 0.000 0.000 0.336 458 Y C 1.652 177.668 175.900 0.193 0.000 1.284 458 Y CA -0.502 57.705 58.100 0.177 0.000 1.761 458 Y CB -0.247 38.319 38.460 0.178 0.000 1.724 458 Y HN 0.831 nan 8.280 nan 0.000 0.455 459 G N 1.312 110.305 108.800 0.321 0.000 2.418 459 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 459 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 459 G C 1.813 176.902 174.900 0.315 0.000 1.158 459 G CA 0.870 46.131 45.100 0.269 0.000 0.771 459 G HN 0.630 nan 8.290 nan 0.000 0.545 460 A N 0.420 123.431 122.820 0.319 0.000 1.933 460 A HA 0.105 4.425 4.320 0.000 0.000 0.218 460 A C 2.414 180.355 177.584 0.595 0.000 1.175 460 A CA 1.230 53.494 52.037 0.377 0.000 0.628 460 A CB -0.305 18.909 19.000 0.358 0.000 0.814 460 A HN 0.373 nan 8.150 nan 0.000 0.444 461 L N -1.636 119.864 121.223 0.462 0.000 2.131 461 L HA -0.073 4.267 4.340 0.000 0.000 0.206 461 L C 2.803 179.902 176.870 0.382 0.000 1.087 461 L CA 0.925 56.014 54.840 0.415 0.000 0.767 461 L CB -0.487 41.735 42.059 0.272 0.000 0.917 461 L HN 0.333 nan 8.230 nan 0.000 0.441 462 R N -0.658 120.046 120.500 0.339 0.000 2.096 462 R HA -0.233 4.107 4.340 0.000 0.000 0.235 462 R C 2.123 178.582 176.300 0.264 0.000 1.127 462 R CA 2.023 58.280 56.100 0.261 0.000 0.968 462 R CB -0.414 30.020 30.300 0.223 0.000 0.861 462 R HN 0.408 nan 8.270 nan 0.000 0.440 463 W N 0.477 121.857 121.300 0.133 0.000 2.355 463 W HA -0.192 4.468 4.660 0.000 0.000 0.309 463 W C 1.554 178.105 176.519 0.054 0.000 1.206 463 W CA 1.393 58.767 57.345 0.048 0.000 1.284 463 W CB -0.427 29.015 29.460 -0.031 0.000 1.145 463 W HN -0.068 nan 8.180 nan 0.000 0.502 464 F N 0.624 120.764 119.950 0.316 0.000 2.186 464 F HA -0.092 4.435 4.527 0.000 0.000 0.299 464 F C 2.584 178.333 175.800 -0.084 0.000 1.090 464 F CA 2.017 60.058 58.000 0.068 0.000 1.307 464 F CB -1.297 37.878 39.000 0.292 0.000 1.019 464 F HN -0.016 nan 8.300 nan 0.000 0.489 465 A N 0.125 123.055 122.820 0.183 0.000 1.940 465 A HA -0.120 4.200 4.320 0.000 0.000 0.219 465 A C 2.547 180.119 177.584 -0.019 0.000 1.176 465 A CA 1.854 53.940 52.037 0.081 0.000 0.631 465 A CB -1.600 17.460 19.000 0.100 0.000 0.814 465 A HN 0.414 nan 8.150 nan 0.000 0.446 466 G N -0.203 108.543 108.800 -0.091 0.000 2.402 466 G HA2 -0.117 3.843 3.960 0.000 0.000 0.216 466 G HA3 -0.117 3.843 3.960 0.000 0.000 0.216 466 G C 1.630 176.369 174.900 -0.268 0.000 1.162 466 G CA 1.748 46.745 45.100 -0.172 0.000 0.777 466 G HN 1.056 nan 8.290 nan 0.000 0.539 467 V N -0.691 118.950 119.914 -0.454 0.000 2.594 467 V HA 0.021 4.141 4.120 0.000 0.000 0.253 467 V C 2.524 178.512 176.094 -0.176 0.000 1.069 467 V CA 1.463 63.516 62.300 -0.411 0.000 1.082 467 V CB -0.423 31.058 31.823 -0.570 0.000 0.680 467 V HN 0.313 nan 8.190 nan 0.000 0.469 468 L N -0.270 120.892 121.223 -0.102 0.000 2.395 468 L HA 0.137 4.477 4.340 0.000 0.000 0.218 468 L C 1.520 178.371 176.870 -0.032 0.000 1.130 468 L CA 0.991 55.814 54.840 -0.029 0.000 0.826 468 L CB -0.679 41.391 42.059 0.018 0.000 0.941 468 L HN 0.448 nan 8.230 nan 0.000 0.451 469 E N -0.590 119.578 120.200 -0.052 0.000 2.586 469 E HA -0.227 4.123 4.350 0.000 0.000 0.259 469 E C 0.267 176.860 176.600 -0.012 0.000 1.107 469 E CA 0.219 56.598 56.400 -0.035 0.000 0.754 469 E CB -1.091 28.591 29.700 -0.030 0.000 1.335 469 E HN 0.494 nan 8.360 nan 0.000 0.411 470 A N 1.553 124.372 122.820 -0.002 0.000 2.347 470 A HA 0.291 4.611 4.320 0.000 0.000 0.287 470 A C 0.365 177.960 177.584 0.019 0.000 1.199 470 A CA -0.128 51.918 52.037 0.014 0.000 0.851 470 A CB 0.373 19.390 19.000 0.029 0.000 1.118 470 A HN 0.212 nan 8.150 nan 0.000 0.525 471 E N 1.970 122.181 120.200 0.017 0.000 2.250 471 E HA 0.262 4.612 4.350 0.000 0.000 0.269 471 E C -0.329 176.287 176.600 0.026 0.000 1.018 471 E CA -0.964 55.448 56.400 0.020 0.000 0.873 471 E CB 0.575 30.283 29.700 0.014 0.000 1.134 471 E HN 0.682 nan 8.360 nan 0.000 0.403 472 N N -0.182 118.536 118.700 0.029 0.000 2.754 472 N HA -0.149 4.591 4.740 0.000 0.000 0.248 472 N C -1.066 174.466 175.510 0.037 0.000 1.093 472 N CA 0.399 53.467 53.050 0.030 0.000 0.699 472 N CB -1.269 37.233 38.487 0.024 0.000 1.016 472 N HN 0.149 nan 8.380 nan 0.000 0.552 473 V N 1.942 121.884 119.914 0.047 0.000 2.432 473 V HA 0.307 4.427 4.120 0.000 0.000 0.271 473 V C -0.892 175.243 176.094 0.067 0.000 1.046 473 V CA -0.876 61.459 62.300 0.058 0.000 0.945 473 V CB 1.162 33.028 31.823 0.072 0.000 0.992 473 V HN 0.130 nan 8.190 nan 0.000 0.471 474 P HA 0.425 nan 4.420 nan 0.000 0.278 474 P C 0.614 177.973 177.300 0.098 0.000 1.266 474 P CA 0.222 63.364 63.100 0.070 0.000 0.807 474 P CB 1.187 32.920 31.700 0.056 0.000 1.094 475 G N -0.006 108.856 108.800 0.103 0.000 2.143 475 G HA2 -0.221 3.739 3.960 0.000 0.000 0.248 475 G HA3 -0.221 3.739 3.960 0.000 0.000 0.248 475 G C 0.499 175.537 174.900 0.230 0.000 0.991 475 G CA 0.294 45.481 45.100 0.145 0.000 0.689 475 G HN 0.478 nan 8.290 nan 0.000 0.522 476 L N -0.523 120.815 121.223 0.191 0.000 2.585 476 L HA 0.282 4.622 4.340 0.000 0.000 0.226 476 L C 0.213 177.146 176.870 0.105 0.000 1.113 476 L CA 0.106 55.105 54.840 0.264 0.000 0.876 476 L CB 0.036 42.228 42.059 0.223 0.000 1.072 476 L HN 0.099 nan 8.230 nan 0.000 0.468 477 D N 0.517 120.918 120.400 0.001 0.000 2.248 477 D HA 0.326 4.966 4.640 0.000 0.000 0.246 477 D C 0.043 176.240 176.300 -0.173 0.000 1.027 477 D CA -0.085 53.869 54.000 -0.076 0.000 0.853 477 D CB 3.070 43.862 40.800 -0.012 0.000 1.243 477 D HN -0.193 nan 8.370 nan 0.000 0.462 478 V N -0.704 119.084 119.914 -0.210 0.000 2.572 478 V HA 0.353 4.473 4.120 0.000 0.000 0.274 478 V C -2.511 173.535 176.094 -0.080 0.000 1.075 478 V CA -1.409 60.775 62.300 -0.194 0.000 1.237 478 V CB 0.367 31.995 31.823 -0.324 0.000 1.517 478 V HN 0.300 nan 8.190 nan 0.000 0.616 479 P HA 0.409 nan 4.420 nan 0.000 0.274 479 P C 0.859 178.135 177.300 -0.041 0.000 1.246 479 P CA 1.193 64.277 63.100 -0.027 0.000 0.795 479 P CB 1.287 32.975 31.700 -0.020 0.000 1.006 480 G N 0.480 109.257 108.800 -0.039 0.000 2.171 480 G HA2 -0.177 3.783 3.960 0.000 0.000 0.238 480 G HA3 -0.177 3.783 3.960 0.000 0.000 0.238 480 G C -0.185 174.645 174.900 -0.115 0.000 1.039 480 G CA -0.231 44.832 45.100 -0.062 0.000 0.759 480 G HN 0.486 nan 8.290 nan 0.000 0.501 481 I N 0.635 121.106 120.570 -0.165 0.000 2.362 481 I HA 0.324 4.494 4.170 0.000 0.000 0.289 481 I C -0.635 175.219 176.117 -0.438 0.000 0.994 481 I CA -0.841 60.230 61.300 -0.382 0.000 1.158 481 I CB 1.776 39.423 38.000 -0.588 0.000 1.315 481 I HN 0.030 nan 8.210 nan 0.000 0.451 482 D N 6.253 126.424 120.400 -0.381 0.000 2.467 482 D HA 0.211 4.851 4.640 0.000 0.000 0.220 482 D C 0.476 176.617 176.300 -0.266 0.000 1.103 482 D CA -0.282 53.586 54.000 -0.220 0.000 0.886 482 D CB 0.585 41.316 40.800 -0.115 0.000 1.025 482 D HN 0.296 nan 8.370 nan 0.000 0.514 483 F N 2.022 121.978 119.950 0.011 0.000 2.325 483 F HA 0.075 4.602 4.527 0.000 0.000 0.299 483 F C 2.393 178.203 175.800 0.017 0.000 1.090 483 F CA 0.403 58.414 58.000 0.018 0.000 1.392 483 F CB 0.028 39.047 39.000 0.031 0.000 1.053 483 F HN 0.252 nan 8.300 nan 0.000 0.521 484 R N 0.125 120.717 120.500 0.154 0.000 2.096 484 R HA -0.103 4.237 4.340 0.000 0.000 0.235 484 R C 2.446 178.772 176.300 0.044 0.000 1.127 484 R CA 1.163 57.320 56.100 0.095 0.000 0.968 484 R CB -0.713 29.630 30.300 0.072 0.000 0.861 484 R HN 0.284 nan 8.270 nan 0.000 0.440 485 A N 1.281 124.103 122.820 0.002 0.000 1.898 485 A HA -0.104 4.216 4.320 0.000 0.000 0.216 485 A C 2.181 179.735 177.584 -0.049 0.000 1.181 485 A CA 1.017 53.033 52.037 -0.034 0.000 0.620 485 A CB -0.466 18.497 19.000 -0.062 0.000 0.819 485 A HN 0.155 nan 8.150 nan 0.000 0.442 486 L N -0.728 120.468 121.223 -0.045 0.000 2.017 486 L HA -0.224 4.116 4.340 0.000 0.000 0.208 486 L C 3.128 180.019 176.870 0.034 0.000 1.073 486 L CA 1.166 55.989 54.840 -0.029 0.000 0.745 486 L CB -0.665 41.403 42.059 0.014 0.000 0.894 486 L HN 0.442 nan 8.230 nan 0.000 0.432 487 A N 0.228 123.096 122.820 0.080 0.000 1.883 487 A HA -0.278 4.042 4.320 0.000 0.000 0.217 487 A C 2.414 180.042 177.584 0.074 0.000 1.186 487 A CA 2.138 54.233 52.037 0.096 0.000 0.624 487 A CB -0.529 18.528 19.000 0.096 0.000 0.822 487 A HN 0.361 nan 8.150 nan 0.000 0.444 488 K N -0.590 119.830 120.400 0.034 0.000 2.063 488 K HA -0.128 4.192 4.320 0.000 0.000 0.208 488 K C 2.025 178.617 176.600 -0.014 0.000 1.048 488 K CA 1.492 57.788 56.287 0.015 0.000 0.928 488 K CB -0.615 31.884 32.500 -0.001 0.000 0.713 488 K HN 0.382 nan 8.250 nan 0.000 0.442 489 G N -0.145 108.601 108.800 -0.090 0.000 2.469 489 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 489 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 489 G C 0.745 175.500 174.900 -0.242 0.000 1.136 489 G CA 0.936 45.892 45.100 -0.239 0.000 0.759 489 G HN 0.369 nan 8.290 nan 0.000 0.562 490 Y N 0.148 120.506 120.300 0.097 0.000 2.524 490 Y HA 0.407 4.957 4.550 0.000 0.000 0.266 490 Y C 1.848 177.832 175.900 0.140 0.000 1.180 490 Y CA -0.733 57.480 58.100 0.188 0.000 1.244 490 Y CB 0.305 38.873 38.460 0.180 0.000 1.125 490 Y HN 0.295 nan 8.280 nan 0.000 0.524 491 G N 0.203 109.112 108.800 0.182 0.000 2.136 491 G HA2 -0.234 3.726 3.960 0.000 0.000 0.242 491 G HA3 -0.234 3.726 3.960 0.000 0.000 0.242 491 G C -0.352 174.591 174.900 0.072 0.000 0.989 491 G CA 0.207 45.367 45.100 0.099 0.000 0.682 491 G HN 0.113 nan 8.290 nan 0.000 0.522 492 V N 1.024 120.994 119.914 0.093 0.000 2.427 492 V HA 0.438 4.558 4.120 0.000 0.000 0.286 492 V C 0.921 177.064 176.094 0.082 0.000 1.034 492 V CA -0.503 61.850 62.300 0.090 0.000 0.893 492 V CB 1.781 33.666 31.823 0.103 0.000 0.982 492 V HN 0.543 nan 8.190 nan 0.000 0.452 493 Q N 2.834 122.680 119.800 0.075 0.000 2.304 493 Q HA 0.366 4.706 4.340 0.000 0.000 0.301 493 Q C -0.216 175.832 176.000 0.080 0.000 1.063 493 Q CA 0.235 56.077 55.803 0.066 0.000 0.947 493 Q CB 0.678 29.450 28.738 0.057 0.000 1.201 493 Q HN 0.946 nan 8.270 nan 0.000 0.389 494 A N 4.986 127.847 122.820 0.068 0.000 2.371 494 A HA 0.745 5.065 4.320 0.000 0.000 0.311 494 A C -1.413 176.209 177.584 0.064 0.000 1.068 494 A CA -0.727 51.356 52.037 0.077 0.000 0.744 494 A CB 1.116 20.160 19.000 0.074 0.000 1.239 494 A HN 0.732 nan 8.150 nan 0.000 0.435 495 L N 0.942 122.206 121.223 0.068 0.000 2.350 495 L HA 0.646 4.986 4.340 0.000 0.000 0.260 495 L C -0.091 176.813 176.870 0.057 0.000 1.015 495 L CA -0.737 54.135 54.840 0.054 0.000 0.821 495 L CB 2.442 44.530 42.059 0.048 0.000 1.370 495 L HN 0.750 nan 8.230 nan 0.000 0.416 496 K N 0.732 121.160 120.400 0.046 0.000 2.281 496 K HA 0.865 5.185 4.320 0.000 0.000 0.242 496 K C -1.362 175.256 176.600 0.030 0.000 0.971 496 K CA -0.680 55.633 56.287 0.044 0.000 0.834 496 K CB 2.257 34.783 32.500 0.044 0.000 1.181 496 K HN 0.696 nan 8.250 nan 0.000 0.435 497 A N 2.749 125.584 122.820 0.024 0.000 2.522 497 A HA 0.279 4.599 4.320 0.000 0.000 0.285 497 A C -0.893 176.695 177.584 0.007 0.000 1.198 497 A CA -0.573 51.471 52.037 0.013 0.000 0.742 497 A CB 0.601 19.604 19.000 0.005 0.000 1.176 497 A HN 0.770 nan 8.150 nan 0.000 0.444 498 D N 0.955 121.360 120.400 0.007 0.000 2.367 498 D HA 0.077 4.717 4.640 0.000 0.000 0.207 498 D C 0.258 176.555 176.300 -0.005 0.000 1.034 498 D CA 1.067 55.069 54.000 0.003 0.000 0.861 498 D CB 0.425 41.230 40.800 0.008 0.000 0.943 498 D HN 0.780 nan 8.370 nan 0.000 0.515 499 N N -1.272 117.426 118.700 -0.004 0.000 3.106 499 N HA 0.060 4.800 4.740 0.000 0.000 0.253 499 N C 0.183 175.693 175.510 -0.001 0.000 1.506 499 N CA -0.724 52.323 53.050 -0.005 0.000 0.876 499 N CB 0.923 39.410 38.487 0.000 0.000 1.452 499 N HN -0.206 nan 8.380 nan 0.000 0.542 500 L N 0.131 121.356 121.223 0.003 0.000 2.056 500 L HA 0.075 4.415 4.340 0.000 0.000 0.207 500 L C 2.107 178.982 176.870 0.009 0.000 1.078 500 L CA 2.031 56.875 54.840 0.007 0.000 0.749 500 L CB -0.842 41.227 42.059 0.016 0.000 0.901 500 L HN 0.906 nan 8.230 nan 0.000 0.433 501 E N -0.893 119.313 120.200 0.010 0.000 2.085 501 E HA -0.309 4.041 4.350 0.000 0.000 0.194 501 E C 2.059 178.665 176.600 0.010 0.000 0.994 501 E CA 1.777 58.184 56.400 0.011 0.000 0.801 501 E CB -0.211 29.495 29.700 0.011 0.000 0.743 501 E HN 0.713 nan 8.360 nan 0.000 0.453 502 Q N -0.032 119.773 119.800 0.009 0.000 2.167 502 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 502 Q C 2.351 178.357 176.000 0.011 0.000 0.970 502 Q CA 1.019 56.828 55.803 0.011 0.000 0.855 502 Q CB -0.085 28.659 28.738 0.011 0.000 0.911 502 Q HN 0.302 nan 8.270 nan 0.000 0.438 503 L N 1.249 122.476 121.223 0.007 0.000 2.046 503 L HA -0.189 4.151 4.340 0.000 0.000 0.208 503 L C 1.831 178.707 176.870 0.010 0.000 1.077 503 L CA 1.859 56.702 54.840 0.005 0.000 0.747 503 L CB -0.153 41.904 42.059 -0.004 0.000 0.896 503 L HN -0.033 nan 8.230 nan 0.000 0.432 504 K N -0.662 119.745 120.400 0.011 0.000 2.025 504 K HA -0.056 4.264 4.320 0.000 0.000 0.207 504 K C 2.039 178.647 176.600 0.014 0.000 1.049 504 K CA 1.167 57.463 56.287 0.014 0.000 0.933 504 K CB -0.753 31.755 32.500 0.014 0.000 0.714 504 K HN 0.532 nan 8.250 nan 0.000 0.438 505 G N 0.748 109.556 108.800 0.014 0.000 2.446 505 G HA2 -0.262 3.699 3.960 0.000 0.000 0.217 505 G HA3 -0.262 3.699 3.960 0.000 0.000 0.217 505 G C 1.560 176.469 174.900 0.016 0.000 1.168 505 G CA 1.059 46.167 45.100 0.014 0.000 0.771 505 G HN 0.191 nan 8.290 nan 0.000 0.551 506 S N 0.349 116.059 115.700 0.018 0.000 2.368 506 S HA 0.016 4.486 4.470 0.000 0.000 0.224 506 S C 2.310 176.923 174.600 0.022 0.000 1.029 506 S CA 0.758 58.971 58.200 0.022 0.000 0.988 506 S CB -0.227 62.987 63.200 0.024 0.000 0.838 506 S HN 0.299 nan 8.310 nan 0.000 0.462 507 L N 1.293 122.528 121.223 0.020 0.000 2.093 507 L HA -0.153 4.187 4.340 0.000 0.000 0.208 507 L C 2.780 179.659 176.870 0.016 0.000 1.085 507 L CA 1.149 56.001 54.840 0.020 0.000 0.755 507 L CB -0.495 41.577 42.059 0.023 0.000 0.904 507 L HN 0.358 nan 8.230 nan 0.000 0.435 508 Q N -0.293 119.516 119.800 0.015 0.000 2.061 508 Q HA -0.296 4.044 4.340 0.000 0.000 0.204 508 Q C 2.131 178.138 176.000 0.011 0.000 0.984 508 Q CA 2.031 57.841 55.803 0.012 0.000 0.846 508 Q CB -0.102 28.643 28.738 0.012 0.000 0.902 508 Q HN 0.494 nan 8.270 nan 0.000 0.421 509 E N 0.213 120.421 120.200 0.014 0.000 2.051 509 E HA -0.210 4.140 4.350 0.000 0.000 0.192 509 E C 1.892 178.501 176.600 0.015 0.000 0.991 509 E CA 1.105 57.514 56.400 0.015 0.000 0.799 509 E CB -0.093 29.618 29.700 0.019 0.000 0.748 509 E HN 0.341 nan 8.360 nan 0.000 0.449 510 A N 0.866 123.697 122.820 0.018 0.000 1.902 510 A HA -0.138 4.182 4.320 0.000 0.000 0.217 510 A C 2.207 179.793 177.584 0.004 0.000 1.181 510 A CA 1.204 53.251 52.037 0.016 0.000 0.623 510 A CB -0.690 18.322 19.000 0.020 0.000 0.818 510 A HN 0.343 nan 8.150 nan 0.000 0.443 511 L N 0.460 121.683 121.223 0.001 0.000 2.275 511 L HA -0.121 4.219 4.340 0.000 0.000 0.215 511 L C 2.354 179.220 176.870 -0.007 0.000 1.119 511 L CA 1.380 56.215 54.840 -0.008 0.000 0.790 511 L CB -0.181 41.875 42.059 -0.005 0.000 0.919 511 L HN 0.590 nan 8.230 nan 0.000 0.443 512 S N -1.443 114.257 115.700 -0.000 0.000 2.540 512 S HA 0.343 4.814 4.470 0.000 0.000 0.218 512 S C 0.865 175.465 174.600 0.002 0.000 0.977 512 S CA -0.174 58.026 58.200 -0.000 0.000 0.918 512 S CB 0.080 63.281 63.200 0.002 0.000 0.806 512 S HN 0.169 nan 8.310 nan 0.000 0.496 513 A N 1.953 124.775 122.820 0.004 0.000 2.406 513 A HA 0.505 4.825 4.320 0.000 0.000 0.243 513 A C 1.002 178.588 177.584 0.004 0.000 1.082 513 A CA -0.401 51.641 52.037 0.008 0.000 0.786 513 A CB 0.337 19.346 19.000 0.015 0.000 1.029 513 A HN 0.180 nan 8.150 nan 0.000 0.495 514 K N 0.460 120.864 120.400 0.006 0.000 2.387 514 K HA 0.207 4.527 4.320 0.000 0.000 0.198 514 K C 0.636 177.240 176.600 0.006 0.000 1.022 514 K CA 0.799 57.088 56.287 0.004 0.000 1.128 514 K CB 0.337 32.839 32.500 0.002 0.000 0.853 514 K HN 0.803 nan 8.250 nan 0.000 0.523 515 G N 1.476 110.284 108.800 0.013 0.000 2.866 515 G HA2 0.416 4.376 3.960 0.000 0.000 0.289 515 G HA3 0.416 4.376 3.960 0.000 0.000 0.289 515 G C -3.037 171.887 174.900 0.039 0.000 1.396 515 G CA -1.124 43.989 45.100 0.022 0.000 0.848 515 G HN -0.235 nan 8.290 nan 0.000 0.515 516 P HA 0.381 nan 4.420 nan 0.000 0.269 516 P C -0.750 176.636 177.300 0.145 0.000 1.215 516 P CA -0.101 63.075 63.100 0.127 0.000 0.780 516 P CB 1.609 33.448 31.700 0.232 0.000 0.898 517 V N 3.216 123.234 119.914 0.174 0.000 2.760 517 V HA 0.373 4.493 4.120 0.000 0.000 0.309 517 V C -0.053 176.196 176.094 0.259 0.000 1.077 517 V CA -0.795 61.602 62.300 0.163 0.000 0.910 517 V CB 2.159 34.035 31.823 0.088 0.000 1.008 517 V HN 0.465 nan 8.190 nan 0.000 0.424 518 L N 5.355 126.713 121.223 0.224 0.000 2.322 518 L HA 0.714 5.054 4.340 0.000 0.000 0.281 518 L C -1.071 175.884 176.870 0.141 0.000 1.014 518 L CA -0.315 54.661 54.840 0.227 0.000 0.815 518 L CB 1.266 43.428 42.059 0.172 0.000 1.247 518 L HN 0.614 nan 8.230 nan 0.000 0.421 519 I N 4.628 125.270 120.570 0.119 0.000 2.382 519 I HA 0.311 4.481 4.170 0.000 0.000 0.286 519 I C -0.295 175.853 176.117 0.053 0.000 1.002 519 I CA -0.423 60.922 61.300 0.075 0.000 1.135 519 I CB 1.727 39.759 38.000 0.053 0.000 1.288 519 I HN 0.616 nan 8.210 nan 0.000 0.448 520 E N 6.475 126.711 120.200 0.060 0.000 2.152 520 E HA 0.365 4.715 4.350 0.000 0.000 0.285 520 E C -1.292 175.322 176.600 0.023 0.000 1.043 520 E CA -0.486 55.941 56.400 0.044 0.000 0.839 520 E CB 1.154 30.933 29.700 0.132 0.000 1.069 520 E HN 0.371 nan 8.360 nan 0.000 0.399 521 V N 3.994 123.900 119.914 -0.012 0.000 2.398 521 V HA 0.169 4.289 4.120 0.000 0.000 0.286 521 V C -0.096 175.988 176.094 -0.016 0.000 1.026 521 V CA -0.779 61.510 62.300 -0.018 0.000 0.868 521 V CB 1.712 33.508 31.823 -0.045 0.000 0.982 521 V HN 0.637 nan 8.190 nan 0.000 0.443 522 S N 3.855 119.551 115.700 -0.006 0.000 2.405 522 S HA 0.383 4.853 4.470 0.000 0.000 0.291 522 S C 0.498 175.079 174.600 -0.030 0.000 1.137 522 S CA -0.490 57.707 58.200 -0.004 0.000 1.061 522 S CB 0.334 63.535 63.200 0.002 0.000 1.001 522 S HN 0.968 nan 8.310 nan 0.000 0.507 523 T N -0.356 114.181 114.554 -0.029 0.000 2.945 523 T HA 0.677 5.027 4.350 0.000 0.000 0.286 523 T C 0.697 175.368 174.700 -0.048 0.000 1.025 523 T CA -0.995 61.075 62.100 -0.050 0.000 1.039 523 T CB 0.840 69.685 68.868 -0.039 0.000 1.068 523 T HN 0.379 nan 8.240 nan 0.000 0.497 524 V N 0.000 119.861 119.914 -0.088 0.000 2.409 524 V HA 0.000 4.120 4.120 0.000 0.000 0.244 524 V CA 0.000 62.250 62.300 -0.083 0.000 1.235 524 V CB 0.000 31.710 31.823 -0.188 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556