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 3pm0_1_A DATA FIRST_RESID 68 DATA SEQUENCE QAAHLSFARL ARRYGDVFQI RLGSCPIVVL NGERAIHQAL VQQGSAFADR DATA SEQUENCE PSFASFRVVS GGRSMAFGHY SEHWKVQRRA AHSMMRNFFT RQPRSRQVLE DATA SEQUENCE GHVLSEAREL VALLVRGSAD GAFLDPRPLT VVAVANVMSA VCFGCRYSHD DATA SEQUENCE DPEFRELLSH NEEFGRTVGA GSLVDVMPWL QYFPNPVRTV FREFEQLNRN DATA SEQUENCE FSNFILDKFL RHCESLRPGA APRDMMDAFI LSAEKKAAGD XXXXGARLDL DATA SEQUENCE ENVPATITDI FGASQDTLST ALQWLLLLFT RYPDVQTRVQ AELDQVVGRD DATA SEQUENCE RLPCMGDQPN LPYVLAFLYE AMRFSSFVPV TIPHATTANT SVLGYHIPKD DATA SEQUENCE TVVFVNQWSV NHDPLKWPNP ENFDPARFLD KDGLINKDLT SRVMIFSVGK DATA SEQUENCE RRCIGEELSK MQLFLFISIL AHQCDFRANP NEPAKMNFSY GLTIKPKSFK DATA SEQUENCE VNVTLRESME LLD 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 68 Q HA 0.000 nan 4.340 nan 0.000 0.214 68 Q C 0.000 175.729 176.000 -0.452 0.000 1.003 68 Q CA 0.000 55.613 55.803 -0.317 0.000 1.022 68 Q CB 0.000 28.611 28.738 -0.211 0.000 1.108 69 A N 0.801 123.224 122.820 -0.661 0.000 2.401 69 A HA 0.729 5.039 4.320 -0.016 0.000 0.259 69 A C 1.461 178.582 177.584 -0.771 0.000 1.103 69 A CA 0.448 51.968 52.037 -0.861 0.000 0.789 69 A CB 0.618 18.861 19.000 -1.262 0.000 1.035 69 A HN 0.692 nan 8.150 nan 0.000 0.491 70 A N 2.103 124.587 122.820 -0.560 0.000 1.873 70 A HA -0.301 4.010 4.320 -0.016 0.000 0.219 70 A C 1.788 178.829 177.584 -0.905 0.000 1.269 70 A CA 2.676 54.296 52.037 -0.694 0.000 0.671 70 A CB -1.843 16.964 19.000 -0.321 0.000 0.842 70 A HN 1.410 nan 8.150 nan 0.000 0.460 71 H N -1.059 117.721 119.070 -0.483 0.000 2.518 71 H HA 0.041 4.588 4.556 -0.015 0.000 0.294 71 H C 1.543 176.574 175.328 -0.494 0.000 1.083 71 H CA 1.328 57.210 56.048 -0.276 0.000 1.264 71 H CB -0.455 29.160 29.762 -0.244 0.000 1.370 71 H HN 0.441 nan 8.280 nan 0.000 0.560 72 L N -0.116 120.409 121.223 -1.162 0.000 2.127 72 L HA -0.032 4.299 4.340 -0.016 0.000 0.203 72 L C 2.416 179.019 176.870 -0.445 0.000 1.080 72 L CA 0.846 55.123 54.840 -0.938 0.000 0.768 72 L CB -0.283 41.202 42.059 -0.958 0.000 0.924 72 L HN 0.294 nan 8.230 nan 0.000 0.444 73 S N 0.055 115.476 115.700 -0.465 0.000 2.355 73 S HA -0.113 4.347 4.470 -0.016 0.000 0.222 73 S C 1.824 176.427 174.600 0.004 0.000 1.031 73 S CA 1.203 59.249 58.200 -0.258 0.000 0.993 73 S CB -0.299 62.706 63.200 -0.326 0.000 0.859 73 S HN 0.182 nan 8.310 nan 0.000 0.453 74 F N 2.095 122.105 119.950 0.100 0.000 2.095 74 F HA -0.087 4.431 4.527 -0.016 0.000 0.298 74 F C 2.693 178.697 175.800 0.340 0.000 1.104 74 F CA 0.367 58.567 58.000 0.334 0.000 1.232 74 F CB -1.511 37.684 39.000 0.326 0.000 0.987 74 F HN 0.201 nan 8.300 nan 0.000 0.475 75 A N -0.343 122.741 122.820 0.440 0.000 2.019 75 A HA -0.181 4.130 4.320 -0.016 0.000 0.219 75 A C 2.439 180.190 177.584 0.280 0.000 1.164 75 A CA 1.541 53.825 52.037 0.410 0.000 0.644 75 A CB -0.737 18.601 19.000 0.563 0.000 0.805 75 A HN 0.333 nan 8.150 nan 0.000 0.449 76 R N -0.172 120.431 120.500 0.173 0.000 2.075 76 R HA 0.048 4.378 4.340 -0.016 0.000 0.226 76 R C 1.752 178.087 176.300 0.058 0.000 1.114 76 R CA 1.176 57.327 56.100 0.085 0.000 0.972 76 R CB -0.364 29.942 30.300 0.010 0.000 0.869 76 R HN 0.516 nan 8.270 nan 0.000 0.437 77 L N 0.616 121.873 121.223 0.056 0.000 2.362 77 L HA -0.046 4.285 4.340 -0.016 0.000 0.219 77 L C 2.420 179.250 176.870 -0.068 0.000 1.134 77 L CA 0.915 55.709 54.840 -0.076 0.000 0.807 77 L CB -0.355 41.494 42.059 -0.350 0.000 0.927 77 L HN 0.265 nan 8.230 nan 0.000 0.447 78 A N -0.340 122.578 122.820 0.163 0.000 2.123 78 A HA -0.052 4.259 4.320 -0.016 0.000 0.214 78 A C 2.204 179.873 177.584 0.141 0.000 1.152 78 A CA 0.497 52.709 52.037 0.291 0.000 0.728 78 A CB -0.268 18.985 19.000 0.421 0.000 0.814 78 A HN 0.274 nan 8.150 nan 0.000 0.464 79 R N -1.137 119.401 120.500 0.064 0.000 2.319 79 R HA 0.141 4.471 4.340 -0.016 0.000 0.204 79 R C 1.753 178.006 176.300 -0.079 0.000 0.954 79 R CA 0.499 56.609 56.100 0.017 0.000 1.066 79 R CB 0.012 30.327 30.300 0.025 0.000 0.991 79 R HN 0.529 nan 8.270 nan 0.000 0.486 80 R N -1.434 118.953 120.500 -0.187 0.000 2.650 80 R HA 0.047 4.378 4.340 -0.016 0.000 0.212 80 R C 0.150 176.130 176.300 -0.533 0.000 0.904 80 R CA 0.216 56.063 56.100 -0.422 0.000 1.021 80 R CB 0.607 30.506 30.300 -0.668 0.000 1.519 80 R HN 0.116 nan 8.270 nan 0.000 0.639 81 Y N 0.363 120.656 120.300 -0.012 0.000 2.612 81 Y HA 0.454 4.994 4.550 -0.016 0.000 0.250 81 Y C 0.675 176.676 175.900 0.168 0.000 1.175 81 Y CA 0.283 58.404 58.100 0.034 0.000 1.205 81 Y CB 1.329 39.734 38.460 -0.092 0.000 1.201 81 Y HN 0.338 nan 8.280 nan 0.000 0.532 82 G N 0.361 109.316 108.800 0.259 0.000 2.796 82 G HA2 -0.256 3.695 3.960 -0.016 0.000 0.571 82 G HA3 -0.256 3.695 3.960 -0.016 0.000 0.571 82 G C 0.204 175.317 174.900 0.356 0.000 1.370 82 G CA -0.151 45.120 45.100 0.283 0.000 0.856 82 G HN 0.174 nan 8.290 nan 0.000 0.538 83 D N -1.038 119.516 120.400 0.258 0.000 2.144 83 D HA -0.023 4.608 4.640 -0.016 0.000 0.199 83 D C 1.548 177.913 176.300 0.109 0.000 0.984 83 D CA 1.735 55.854 54.000 0.197 0.000 0.834 83 D CB -0.004 40.871 40.800 0.124 0.000 0.955 83 D HN 0.361 nan 8.370 nan 0.000 0.465 84 V N 1.702 121.694 119.914 0.130 0.000 2.394 84 V HA 0.411 4.521 4.120 -0.016 0.000 0.282 84 V C -0.296 175.732 176.094 -0.111 0.000 1.031 84 V CA -0.479 61.785 62.300 -0.060 0.000 0.881 84 V CB 0.829 32.704 31.823 0.087 0.000 0.982 84 V HN 0.087 nan 8.190 nan 0.000 0.451 85 F N 2.274 122.094 119.950 -0.216 0.000 2.858 85 F HA 0.680 5.198 4.527 -0.015 0.000 0.319 85 F C -1.108 174.533 175.800 -0.266 0.000 1.166 85 F CA -1.368 56.457 58.000 -0.292 0.000 0.899 85 F CB 1.739 40.641 39.000 -0.163 0.000 1.332 85 F HN 0.499 nan 8.300 nan 0.000 0.461 86 Q N 2.288 122.149 119.800 0.102 0.000 2.375 86 Q HA 0.809 5.139 4.340 -0.016 0.000 0.271 86 Q C -1.226 174.818 176.000 0.073 0.000 1.074 86 Q CA -0.955 54.829 55.803 -0.031 0.000 0.808 86 Q CB 3.193 31.855 28.738 -0.127 0.000 1.327 86 Q HN 0.960 nan 8.270 nan 0.000 0.441 87 I N -1.742 118.833 120.570 0.008 0.000 3.217 87 I HA 0.703 4.864 4.170 -0.016 0.000 0.308 87 I C -0.742 175.354 176.117 -0.034 0.000 1.091 87 I CA -1.432 59.891 61.300 0.038 0.000 1.013 87 I CB 2.255 40.345 38.000 0.150 0.000 1.250 87 I HN 0.655 nan 8.210 nan 0.000 0.496 88 R N 2.204 122.702 120.500 -0.003 0.000 2.502 88 R HA 0.546 4.877 4.340 -0.016 0.000 0.298 88 R C -1.994 174.315 176.300 0.016 0.000 1.018 88 R CA -0.621 55.470 56.100 -0.015 0.000 0.899 88 R CB 1.641 31.932 30.300 -0.016 0.000 1.181 88 R HN 0.724 nan 8.270 nan 0.000 0.444 89 L N 5.145 126.375 121.223 0.012 0.000 2.272 89 L HA 0.346 4.676 4.340 -0.016 0.000 0.284 89 L C 1.269 178.150 176.870 0.018 0.000 1.045 89 L CA 0.152 55.010 54.840 0.030 0.000 0.842 89 L CB 1.385 43.468 42.059 0.041 0.000 1.224 89 L HN 1.056 nan 8.230 nan 0.000 0.430 90 G N 2.875 111.702 108.800 0.045 0.000 2.646 90 G HA2 -0.437 3.513 3.960 -0.016 0.000 0.324 90 G HA3 -0.437 3.513 3.960 -0.016 0.000 0.324 90 G C 0.984 175.916 174.900 0.052 0.000 1.195 90 G CA 0.790 45.939 45.100 0.081 0.000 0.976 90 G HN 0.714 nan 8.290 nan 0.000 0.546 91 S N -1.311 114.416 115.700 0.045 0.000 2.503 91 S HA 0.347 4.808 4.470 -0.016 0.000 0.217 91 S C 1.069 175.674 174.600 0.008 0.000 0.999 91 S CA 1.008 59.224 58.200 0.026 0.000 0.914 91 S CB 0.017 63.238 63.200 0.035 0.000 0.782 91 S HN 1.039 nan 8.310 nan 0.000 0.520 92 C N 4.924 124.225 119.300 0.002 0.000 2.347 92 C HA 0.600 5.050 4.460 -0.016 0.000 0.353 92 C C -2.465 172.504 174.990 -0.035 0.000 1.273 92 C CA -1.749 57.268 59.018 -0.002 0.000 1.861 92 C CB 0.939 28.702 27.740 0.038 0.000 2.420 92 C HN 0.409 nan 8.230 nan 0.000 0.542 93 P HA 0.301 nan 4.420 nan 0.000 0.291 93 P C -0.868 176.339 177.300 -0.155 0.000 1.378 93 P CA -0.022 63.023 63.100 -0.090 0.000 0.853 93 P CB 0.584 32.239 31.700 -0.075 0.000 1.002 94 I N 3.906 124.331 120.570 -0.241 0.000 2.428 94 I HA 0.299 4.460 4.170 -0.016 0.000 0.296 94 I C 0.567 176.431 176.117 -0.422 0.000 0.985 94 I CA -1.116 59.926 61.300 -0.430 0.000 1.260 94 I CB 1.633 39.111 38.000 -0.869 0.000 1.389 94 I HN 0.059 nan 8.210 nan 0.000 0.484 95 V N 6.366 126.031 119.914 -0.414 0.000 2.311 95 V HA 0.258 4.368 4.120 -0.016 0.000 0.275 95 V C 0.210 176.020 176.094 -0.472 0.000 1.022 95 V CA -0.614 61.457 62.300 -0.382 0.000 0.830 95 V CB 1.677 33.358 31.823 -0.238 0.000 1.012 95 V HN 0.461 nan 8.190 nan 0.000 0.452 96 V N 7.074 126.561 119.914 -0.712 0.000 2.546 96 V HA 0.405 4.516 4.120 -0.016 0.000 0.284 96 V C 0.080 175.814 176.094 -0.599 0.000 1.050 96 V CA -0.431 61.423 62.300 -0.742 0.000 0.981 96 V CB 1.473 32.614 31.823 -1.137 0.000 0.990 96 V HN 0.588 nan 8.190 nan 0.000 0.474 97 L N 4.682 125.715 121.223 -0.317 0.000 2.307 97 L HA 0.560 4.891 4.340 -0.016 0.000 0.284 97 L C 0.707 177.517 176.870 -0.100 0.000 1.023 97 L CA -0.374 54.351 54.840 -0.191 0.000 0.810 97 L CB 1.370 43.345 42.059 -0.140 0.000 1.231 97 L HN 0.610 nan 8.230 nan 0.000 0.423 98 N N 1.413 120.095 118.700 -0.029 0.000 2.503 98 N HA 0.103 4.834 4.740 -0.016 0.000 0.210 98 N C 0.603 176.176 175.510 0.105 0.000 1.077 98 N CA 0.225 53.328 53.050 0.088 0.000 0.855 98 N CB 1.040 39.634 38.487 0.177 0.000 1.323 98 N HN 0.710 nan 8.380 nan 0.000 0.452 99 G N 0.443 109.288 108.800 0.075 0.000 2.535 99 G HA2 0.176 4.127 3.960 -0.016 0.000 0.303 99 G HA3 0.176 4.127 3.960 -0.016 0.000 0.303 99 G C 0.620 175.550 174.900 0.050 0.000 1.237 99 G CA -0.196 44.946 45.100 0.070 0.000 0.986 99 G HN 0.066 nan 8.290 nan 0.000 0.494 100 E N -0.799 119.429 120.200 0.046 0.000 2.046 100 E HA -0.087 4.254 4.350 -0.016 0.000 0.190 100 E C 2.474 179.096 176.600 0.036 0.000 0.982 100 E CA 0.443 56.871 56.400 0.047 0.000 0.800 100 E CB 0.056 29.781 29.700 0.041 0.000 0.756 100 E HN 0.236 nan 8.360 nan 0.000 0.449 101 R N 0.252 120.753 120.500 0.001 0.000 2.120 101 R HA -0.064 4.267 4.340 -0.016 0.000 0.234 101 R C 2.021 178.326 176.300 0.010 0.000 1.123 101 R CA 1.197 57.285 56.100 -0.020 0.000 0.975 101 R CB -0.884 29.393 30.300 -0.038 0.000 0.866 101 R HN 0.295 nan 8.270 nan 0.000 0.446 102 A N 0.410 123.233 122.820 0.005 0.000 1.898 102 A HA -0.001 4.310 4.320 -0.016 0.000 0.214 102 A C 2.311 179.851 177.584 -0.073 0.000 1.183 102 A CA 0.719 52.741 52.037 -0.025 0.000 0.622 102 A CB -0.340 18.652 19.000 -0.013 0.000 0.824 102 A HN 0.171 nan 8.150 nan 0.000 0.444 103 I N -0.933 119.611 120.570 -0.043 0.000 2.226 103 I HA -0.242 3.919 4.170 -0.016 0.000 0.245 103 I C 2.578 178.660 176.117 -0.059 0.000 1.100 103 I CA 1.592 62.849 61.300 -0.073 0.000 1.374 103 I CB -0.309 37.678 38.000 -0.022 0.000 1.057 103 I HN 0.533 nan 8.210 nan 0.000 0.413 104 H N 0.767 119.783 119.070 -0.090 0.000 2.470 104 H HA -0.127 4.419 4.556 -0.016 0.000 0.289 104 H C 1.993 177.259 175.328 -0.103 0.000 1.033 104 H CA 1.448 57.452 56.048 -0.074 0.000 1.331 104 H CB 0.176 29.916 29.762 -0.037 0.000 1.414 104 H HN 0.431 nan 8.280 nan 0.000 0.545 105 Q N -0.267 119.592 119.800 0.098 0.000 2.245 105 Q HA 0.017 4.348 4.340 -0.016 0.000 0.201 105 Q C 2.020 177.897 176.000 -0.205 0.000 0.955 105 Q CA 0.843 56.655 55.803 0.015 0.000 0.870 105 Q CB 0.200 28.940 28.738 0.002 0.000 0.945 105 Q HN 0.491 nan 8.270 nan 0.000 0.461 106 A N 0.569 123.151 122.820 -0.397 0.000 1.843 106 A HA -0.009 4.301 4.320 -0.016 0.000 0.213 106 A C 1.900 179.112 177.584 -0.620 0.000 1.239 106 A CA 0.499 51.988 52.037 -0.913 0.000 0.606 106 A CB -0.742 17.455 19.000 -1.337 0.000 0.903 106 A HN 0.365 nan 8.150 nan 0.000 0.455 107 L N -0.093 120.886 121.223 -0.406 0.000 2.191 107 L HA -0.135 4.196 4.340 -0.016 0.000 0.212 107 L C 2.181 178.955 176.870 -0.160 0.000 1.103 107 L CA 0.975 55.702 54.840 -0.187 0.000 0.769 107 L CB -0.576 41.411 42.059 -0.120 0.000 0.908 107 L HN 0.285 nan 8.230 nan 0.000 0.438 108 V N -1.260 118.495 119.914 -0.265 0.000 2.695 108 V HA -0.084 4.027 4.120 -0.016 0.000 0.230 108 V C 2.172 178.136 176.094 -0.218 0.000 1.110 108 V CA 0.578 62.686 62.300 -0.320 0.000 1.159 108 V CB -0.532 30.832 31.823 -0.764 0.000 0.875 108 V HN 0.248 nan 8.190 nan 0.000 0.502 109 Q N 0.266 119.936 119.800 -0.216 0.000 2.096 109 Q HA -0.209 4.122 4.340 -0.016 0.000 0.204 109 Q C 1.636 177.615 176.000 -0.033 0.000 0.982 109 Q CA 1.607 57.372 55.803 -0.062 0.000 0.850 109 Q CB -0.075 28.680 28.738 0.028 0.000 0.901 109 Q HN 0.642 nan 8.270 nan 0.000 0.422 110 Q N -0.123 119.643 119.800 -0.057 0.000 2.189 110 Q HA 0.195 4.526 4.340 -0.016 0.000 0.221 110 Q C -0.104 175.924 176.000 0.047 0.000 0.848 110 Q CA -0.409 55.403 55.803 0.015 0.000 1.007 110 Q CB 1.130 29.897 28.738 0.049 0.000 1.116 110 Q HN 0.185 nan 8.270 nan 0.000 0.481 111 G N 0.354 109.145 108.800 -0.015 0.000 2.272 111 G HA2 0.136 4.087 3.960 -0.016 0.000 0.247 111 G HA3 0.136 4.087 3.960 -0.016 0.000 0.247 111 G C 0.516 175.416 174.900 0.001 0.000 1.272 111 G CA 0.836 45.936 45.100 -0.001 0.000 0.921 111 G HN 0.227 nan 8.290 nan 0.000 0.495 112 S N 0.707 116.367 115.700 -0.066 0.000 1.264 112 S HA -0.172 4.289 4.470 -0.016 0.000 0.252 112 S C 1.966 176.446 174.600 -0.200 0.000 0.654 112 S CA 1.037 59.100 58.200 -0.228 0.000 1.012 112 S CB -1.588 61.592 63.200 -0.034 0.000 1.021 112 S HN 1.843 nan 8.310 nan 0.000 0.487 113 A N -0.107 122.721 122.820 0.014 0.000 2.016 113 A HA 0.446 4.757 4.320 -0.016 0.000 0.217 113 A C 1.109 178.584 177.584 -0.182 0.000 1.162 113 A CA 1.508 53.537 52.037 -0.014 0.000 0.662 113 A CB -0.439 18.668 19.000 0.179 0.000 0.812 113 A HN 0.623 nan 8.150 nan 0.000 0.450 114 F N -1.433 118.435 119.950 -0.138 0.000 2.683 114 F HA 0.426 4.943 4.527 -0.016 0.000 0.306 114 F C 1.731 177.481 175.800 -0.082 0.000 1.102 114 F CA -0.154 57.804 58.000 -0.071 0.000 1.244 114 F CB 0.264 39.255 39.000 -0.015 0.000 1.029 114 F HN 0.166 nan 8.300 nan 0.000 0.545 115 A N -0.843 121.857 122.820 -0.199 0.000 2.302 115 A HA 0.101 4.411 4.320 -0.016 0.000 0.219 115 A C 0.536 177.801 177.584 -0.533 0.000 1.243 115 A CA 0.206 51.984 52.037 -0.432 0.000 0.856 115 A CB -0.582 17.952 19.000 -0.776 0.000 0.893 115 A HN 0.201 nan 8.150 nan 0.000 0.491 116 D N -0.383 119.805 120.400 -0.353 0.000 2.529 116 D HA 0.474 5.105 4.640 -0.016 0.000 0.273 116 D C 0.095 176.287 176.300 -0.180 0.000 1.197 116 D CA -0.346 53.504 54.000 -0.249 0.000 1.070 116 D CB 0.690 41.391 40.800 -0.164 0.000 1.134 116 D HN -0.015 nan 8.370 nan 0.000 0.590 117 R N 0.256 120.756 120.500 -0.000 0.000 2.750 117 R HA 0.488 4.818 4.340 -0.016 0.000 0.281 117 R C -2.403 173.952 176.300 0.092 0.000 0.972 117 R CA -2.039 54.105 56.100 0.073 0.000 0.912 117 R CB 1.165 31.534 30.300 0.114 0.000 1.187 117 R HN 0.326 nan 8.270 nan 0.000 0.464 118 P HA 0.104 nan 4.420 nan 0.000 0.272 118 P C -0.218 176.776 177.300 -0.510 0.000 1.223 118 P CA -0.023 62.712 63.100 -0.609 0.000 0.784 118 P CB 0.519 31.300 31.700 -1.532 0.000 0.923 119 S N 1.474 116.990 115.700 -0.306 0.000 3.456 119 S HA 0.201 4.661 4.470 -0.016 0.000 0.229 119 S C -0.185 174.397 174.600 -0.031 0.000 1.416 119 S CA -0.042 58.138 58.200 -0.034 0.000 1.197 119 S CB -1.385 61.828 63.200 0.022 0.000 1.201 119 S HN 0.227 nan 8.310 nan 0.000 0.479 120 F N 1.529 121.265 119.950 -0.356 0.000 2.438 120 F HA 0.372 4.890 4.527 -0.016 0.000 0.356 120 F C 1.450 177.108 175.800 -0.236 0.000 1.099 120 F CA -2.022 55.717 58.000 -0.434 0.000 1.185 120 F CB 0.065 38.536 39.000 -0.881 0.000 1.115 120 F HN 0.308 nan 8.300 nan 0.000 0.526 121 A N 2.303 125.137 122.820 0.023 0.000 1.986 121 A HA -0.235 4.076 4.320 -0.016 0.000 0.220 121 A C 2.309 179.964 177.584 0.119 0.000 1.171 121 A CA 2.288 54.347 52.037 0.038 0.000 0.640 121 A CB -0.931 18.044 19.000 -0.041 0.000 0.811 121 A HN 0.758 nan 8.150 nan 0.000 0.451 122 S N -0.959 114.781 115.700 0.068 0.000 2.383 122 S HA -0.112 4.349 4.470 -0.016 0.000 0.227 122 S C 1.892 176.736 174.600 0.407 0.000 1.026 122 S CA 1.153 59.493 58.200 0.233 0.000 0.981 122 S CB -0.973 62.158 63.200 -0.115 0.000 0.818 122 S HN 0.555 nan 8.310 nan 0.000 0.472 123 F N 1.887 121.893 119.950 0.093 0.000 2.120 123 F HA -0.102 4.416 4.527 -0.015 0.000 0.300 123 F C 3.040 178.898 175.800 0.097 0.000 1.095 123 F CA 1.181 59.228 58.000 0.077 0.000 1.249 123 F CB -0.224 38.872 39.000 0.160 0.000 0.995 123 F HN 0.221 nan 8.300 nan 0.000 0.480 124 R N 0.577 121.266 120.500 0.316 0.000 2.159 124 R HA -0.152 4.179 4.340 -0.016 0.000 0.237 124 R C 1.839 178.242 176.300 0.171 0.000 1.131 124 R CA 1.151 57.371 56.100 0.200 0.000 0.982 124 R CB -0.270 30.128 30.300 0.163 0.000 0.868 124 R HN 0.153 nan 8.270 nan 0.000 0.453 125 V N 0.526 120.566 119.914 0.210 0.000 2.719 125 V HA -0.059 4.052 4.120 -0.016 0.000 0.252 125 V C 0.785 176.910 176.094 0.052 0.000 1.065 125 V CA 0.679 63.069 62.300 0.149 0.000 1.086 125 V CB 0.253 32.220 31.823 0.241 0.000 0.700 125 V HN 0.026 nan 8.190 nan 0.000 0.467 126 V N 0.653 120.599 119.914 0.054 0.000 2.655 126 V HA 0.162 4.273 4.120 -0.016 0.000 0.300 126 V C 1.025 177.160 176.094 0.068 0.000 1.044 126 V CA 0.215 62.520 62.300 0.008 0.000 1.095 126 V CB 0.613 32.413 31.823 -0.038 0.000 0.952 126 V HN 0.643 nan 8.190 nan 0.000 0.485 127 S N 3.597 119.329 115.700 0.053 0.000 3.628 127 S HA -0.186 4.274 4.470 -0.016 0.000 0.373 127 S C 1.361 175.982 174.600 0.035 0.000 0.968 127 S CA 0.847 59.082 58.200 0.058 0.000 1.215 127 S CB -1.465 61.784 63.200 0.082 0.000 0.912 127 S HN 2.246 nan 8.310 nan 0.000 0.495 128 G N 0.016 108.830 108.800 0.024 0.000 2.361 128 G HA2 0.039 3.990 3.960 -0.016 0.000 0.294 128 G HA3 0.039 3.990 3.960 -0.016 0.000 0.294 128 G C 1.429 176.345 174.900 0.027 0.000 1.004 128 G CA 1.069 46.179 45.100 0.016 0.000 0.870 128 G HN 2.304 nan 8.290 nan 0.000 0.510 129 G N -1.600 107.231 108.800 0.052 0.000 2.157 129 G HA2 -0.274 3.676 3.960 -0.016 0.000 0.248 129 G HA3 -0.274 3.676 3.960 -0.016 0.000 0.248 129 G C 0.723 175.663 174.900 0.066 0.000 0.979 129 G CA 0.825 45.965 45.100 0.067 0.000 0.650 129 G HN 0.982 nan 8.290 nan 0.000 0.529 130 R N 0.271 120.805 120.500 0.057 0.000 2.629 130 R HA 0.302 4.632 4.340 -0.016 0.000 0.386 130 R C 0.985 177.329 176.300 0.074 0.000 1.071 130 R CA 0.420 56.550 56.100 0.050 0.000 1.104 130 R CB 0.754 31.052 30.300 -0.004 0.000 1.370 130 R HN 0.370 nan 8.270 nan 0.000 0.574 131 S N 0.710 116.487 115.700 0.129 0.000 2.558 131 S HA -0.005 4.456 4.470 -0.016 0.000 0.288 131 S C 1.261 175.969 174.600 0.180 0.000 1.318 131 S CA -0.110 58.195 58.200 0.175 0.000 1.056 131 S CB 0.660 64.053 63.200 0.321 0.000 0.853 131 S HN 0.276 nan 8.310 nan 0.000 0.505 132 M N 4.177 123.851 119.600 0.123 0.000 2.486 132 M HA 0.132 4.603 4.480 -0.016 0.000 0.264 132 M C 1.777 178.225 176.300 0.247 0.000 1.125 132 M CA 1.395 56.779 55.300 0.141 0.000 1.144 132 M CB -1.114 31.445 32.600 -0.069 0.000 1.353 132 M HN 0.863 nan 8.290 nan 0.000 0.466 133 A N -0.482 122.346 122.820 0.014 0.000 1.930 133 A HA -0.034 4.277 4.320 -0.016 0.000 0.215 133 A C 1.306 178.542 177.584 -0.580 0.000 1.176 133 A CA 0.996 52.840 52.037 -0.322 0.000 0.632 133 A CB -0.621 18.014 19.000 -0.609 0.000 0.819 133 A HN 0.522 nan 8.150 nan 0.000 0.445 134 F N -0.153 119.784 119.950 -0.022 0.000 2.653 134 F HA 0.338 4.856 4.527 -0.015 0.000 0.304 134 F C 1.477 177.263 175.800 -0.024 0.000 1.092 134 F CA -0.181 57.728 58.000 -0.151 0.000 1.279 134 F CB 0.137 38.986 39.000 -0.253 0.000 1.044 134 F HN 0.223 nan 8.300 nan 0.000 0.564 135 G N -0.926 107.961 108.800 0.145 0.000 2.547 135 G HA2 0.262 4.212 3.960 -0.016 0.000 0.291 135 G HA3 0.262 4.212 3.960 -0.016 0.000 0.291 135 G C -0.602 174.217 174.900 -0.134 0.000 1.211 135 G CA -0.354 44.783 45.100 0.063 0.000 0.950 135 G HN 0.064 nan 8.290 nan 0.000 0.504 136 H N -1.248 117.819 119.070 -0.005 0.000 2.546 136 H HA 0.158 4.705 4.556 -0.016 0.000 0.365 136 H C -0.778 174.307 175.328 -0.405 0.000 1.220 136 H CA -0.183 55.768 56.048 -0.161 0.000 1.386 136 H CB 0.996 30.734 29.762 -0.040 0.000 1.510 136 H HN 0.384 nan 8.280 nan 0.000 0.591 137 Y N 1.614 121.675 120.300 -0.399 0.000 2.393 137 Y HA 0.290 4.831 4.550 -0.016 0.000 0.338 137 Y C -0.031 175.814 175.900 -0.091 0.000 1.029 137 Y CA -0.118 57.672 58.100 -0.517 0.000 1.239 137 Y CB 0.079 38.279 38.460 -0.435 0.000 1.170 137 Y HN 0.673 nan 8.280 nan 0.000 0.515 138 S N 3.040 118.616 115.700 -0.207 0.000 2.656 138 S HA 0.243 4.703 4.470 -0.016 0.000 0.265 138 S C 0.028 174.586 174.600 -0.070 0.000 1.132 138 S CA -0.945 57.181 58.200 -0.123 0.000 0.819 138 S CB 1.037 64.278 63.200 0.070 0.000 1.119 138 S HN 0.459 nan 8.310 nan 0.000 0.476 139 E N 1.112 121.235 120.200 -0.127 0.000 2.051 139 E HA -0.121 4.219 4.350 -0.016 0.000 0.192 139 E C 1.708 178.251 176.600 -0.095 0.000 0.991 139 E CA 2.190 58.496 56.400 -0.157 0.000 0.799 139 E CB -0.969 28.577 29.700 -0.257 0.000 0.748 139 E HN 0.815 nan 8.360 nan 0.000 0.449 140 H N -1.145 117.958 119.070 0.055 0.000 2.352 140 H HA -0.158 4.388 4.556 -0.016 0.000 0.299 140 H C 1.804 177.174 175.328 0.070 0.000 1.097 140 H CA 1.616 57.697 56.048 0.054 0.000 1.311 140 H CB -0.329 29.472 29.762 0.066 0.000 1.377 140 H HN 0.268 nan 8.280 nan 0.000 0.504 141 W N 2.145 123.490 121.300 0.075 0.000 2.388 141 W HA -0.140 4.512 4.660 -0.013 0.000 0.294 141 W C 2.282 178.804 176.519 0.006 0.000 1.212 141 W CA 1.209 58.578 57.345 0.039 0.000 1.271 141 W CB 0.044 29.527 29.460 0.039 0.000 1.126 141 W HN -0.062 nan 8.180 nan 0.000 0.535 142 K N -0.162 120.306 120.400 0.114 0.000 2.152 142 K HA -0.176 4.135 4.320 -0.016 0.000 0.206 142 K C 1.607 178.095 176.600 -0.187 0.000 1.048 142 K CA 2.004 58.265 56.287 -0.043 0.000 0.933 142 K CB -0.336 32.184 32.500 0.033 0.000 0.721 142 K HN 0.160 nan 8.250 nan 0.000 0.447 143 V N 0.323 120.158 119.914 -0.132 0.000 2.725 143 V HA -0.112 3.999 4.120 -0.016 0.000 0.247 143 V C 2.317 178.321 176.094 -0.151 0.000 1.058 143 V CA 1.434 63.674 62.300 -0.100 0.000 1.080 143 V CB -0.303 31.499 31.823 -0.036 0.000 0.713 143 V HN 0.416 nan 8.190 nan 0.000 0.465 144 Q N 0.622 120.284 119.800 -0.230 0.000 2.124 144 Q HA -0.235 4.096 4.340 -0.016 0.000 0.202 144 Q C 2.469 178.260 176.000 -0.348 0.000 0.977 144 Q CA 1.819 57.464 55.803 -0.262 0.000 0.850 144 Q CB -0.064 28.504 28.738 -0.282 0.000 0.901 144 Q HN 0.554 nan 8.270 nan 0.000 0.429 145 R N -0.039 120.097 120.500 -0.607 0.000 2.075 145 R HA -0.064 4.266 4.340 -0.016 0.000 0.226 145 R C 2.429 178.605 176.300 -0.208 0.000 1.114 145 R CA 1.011 56.788 56.100 -0.539 0.000 0.972 145 R CB -0.116 29.616 30.300 -0.946 0.000 0.869 145 R HN 0.172 nan 8.270 nan 0.000 0.437 146 R N 0.028 120.431 120.500 -0.163 0.000 2.083 146 R HA -0.129 4.201 4.340 -0.016 0.000 0.237 146 R C 2.103 178.422 176.300 0.031 0.000 1.137 146 R CA 1.703 57.793 56.100 -0.017 0.000 0.951 146 R CB -0.260 30.025 30.300 -0.025 0.000 0.851 146 R HN 0.286 nan 8.270 nan 0.000 0.434 147 A N 0.346 123.172 122.820 0.010 0.000 1.930 147 A HA -0.073 4.238 4.320 -0.016 0.000 0.217 147 A C 2.269 179.959 177.584 0.178 0.000 1.175 147 A CA 1.583 53.672 52.037 0.087 0.000 0.627 147 A CB -0.573 18.475 19.000 0.081 0.000 0.815 147 A HN 0.509 nan 8.150 nan 0.000 0.443 148 A N -1.474 121.415 122.820 0.115 0.000 1.930 148 A HA -0.157 4.153 4.320 -0.016 0.000 0.217 148 A C 2.026 179.726 177.584 0.194 0.000 1.175 148 A CA 1.672 53.815 52.037 0.175 0.000 0.627 148 A CB -0.870 18.139 19.000 0.015 0.000 0.815 148 A HN 0.767 nan 8.150 nan 0.000 0.443 149 H N -0.530 118.560 119.070 0.035 0.000 2.428 149 H HA -0.057 4.491 4.556 -0.013 0.000 0.296 149 H C 2.363 177.715 175.328 0.040 0.000 1.062 149 H CA 0.932 57.001 56.048 0.035 0.000 1.350 149 H CB 0.312 30.081 29.762 0.012 0.000 1.403 149 H HN 0.537 nan 8.280 nan 0.000 0.533 150 S N 0.545 116.329 115.700 0.139 0.000 2.356 150 S HA -0.209 4.252 4.470 -0.016 0.000 0.223 150 S C 2.080 176.696 174.600 0.028 0.000 1.032 150 S CA 1.419 59.647 58.200 0.047 0.000 1.005 150 S CB -0.257 62.964 63.200 0.034 0.000 0.867 150 S HN 0.306 nan 8.310 nan 0.000 0.449 151 M N 1.465 121.070 119.600 0.008 0.000 2.086 151 M HA 0.025 4.496 4.480 -0.016 0.000 0.261 151 M C 1.839 178.114 176.300 -0.042 0.000 1.067 151 M CA 1.479 56.700 55.300 -0.132 0.000 1.116 151 M CB -0.596 31.753 32.600 -0.418 0.000 1.348 151 M HN 0.138 nan 8.290 nan 0.000 0.407 152 M N -1.247 118.403 119.600 0.084 0.000 2.279 152 M HA -0.153 4.318 4.480 -0.016 0.000 0.264 152 M C 2.214 178.686 176.300 0.287 0.000 1.062 152 M CA 1.606 57.042 55.300 0.227 0.000 1.099 152 M CB -1.197 31.571 32.600 0.281 0.000 1.394 152 M HN 0.260 nan 8.290 nan 0.000 0.426 153 R N -0.255 120.343 120.500 0.164 0.000 2.075 153 R HA 0.005 4.336 4.340 -0.016 0.000 0.220 153 R C 1.924 178.280 176.300 0.093 0.000 1.118 153 R CA 0.981 57.152 56.100 0.118 0.000 0.986 153 R CB 0.123 30.426 30.300 0.006 0.000 0.884 153 R HN 0.289 nan 8.270 nan 0.000 0.439 154 N N 0.089 118.812 118.700 0.038 0.000 2.092 154 N HA -0.129 4.602 4.740 -0.016 0.000 0.189 154 N C 1.322 176.807 175.510 -0.042 0.000 1.040 154 N CA 1.032 54.080 53.050 -0.003 0.000 0.845 154 N CB -0.526 37.947 38.487 -0.024 0.000 1.017 154 N HN 0.023 nan 8.380 nan 0.000 0.426 155 F N 0.624 120.404 119.950 -0.284 0.000 2.101 155 F HA -0.187 4.336 4.527 -0.007 0.000 0.298 155 F C -0.031 175.434 175.800 -0.559 0.000 1.076 155 F CA 1.256 58.945 58.000 -0.518 0.000 1.248 155 F CB -0.224 38.284 39.000 -0.820 0.000 0.999 155 F HN -0.121 nan 8.300 nan 0.000 0.488 156 F N 0.227 120.240 119.950 0.106 0.000 2.385 156 F HA 0.394 4.909 4.527 -0.021 0.000 0.360 156 F C 1.117 176.909 175.800 -0.014 0.000 1.122 156 F CA -0.292 57.727 58.000 0.031 0.000 1.090 156 F CB 0.870 39.931 39.000 0.101 0.000 1.150 156 F HN -0.209 nan 8.300 nan 0.000 0.472 157 T N 0.549 115.160 114.554 0.096 0.000 5.315 157 T HA -0.196 4.145 4.350 -0.016 0.000 0.268 157 T C 1.688 176.376 174.700 -0.020 0.000 2.179 157 T CA 1.327 63.447 62.100 0.034 0.000 3.728 157 T CB -0.813 68.087 68.868 0.054 0.000 0.572 157 T HN 0.812 nan 8.240 nan 0.000 1.086 158 R N 0.248 120.703 120.500 -0.074 0.000 2.062 158 R HA 0.212 4.543 4.340 -0.016 0.000 0.226 158 R C 0.960 177.209 176.300 -0.086 0.000 1.125 158 R CA 0.421 56.464 56.100 -0.095 0.000 0.966 158 R CB 0.046 30.248 30.300 -0.162 0.000 0.861 158 R HN 0.454 nan 8.270 nan 0.000 0.433 159 Q N 0.941 120.678 119.800 -0.104 0.000 2.348 159 Q HA 0.451 4.782 4.340 -0.016 0.000 0.271 159 Q C -2.533 173.429 176.000 -0.063 0.000 1.067 159 Q CA -2.733 53.021 55.803 -0.082 0.000 0.839 159 Q CB 2.476 31.156 28.738 -0.097 0.000 1.354 159 Q HN 0.007 nan 8.270 nan 0.000 0.447 160 P HA 0.034 nan 4.420 nan 0.000 0.268 160 P C -0.548 176.727 177.300 -0.042 0.000 1.208 160 P CA 0.208 63.286 63.100 -0.038 0.000 0.777 160 P CB 0.480 32.161 31.700 -0.032 0.000 0.875 161 R N 0.082 120.560 120.500 -0.035 0.000 4.016 161 R HA -0.192 4.139 4.340 -0.016 0.000 0.385 161 R C 1.544 177.816 176.300 -0.046 0.000 1.158 161 R CA 1.482 57.559 56.100 -0.038 0.000 1.117 161 R CB -2.535 27.742 30.300 -0.038 0.000 1.635 161 R HN 0.376 nan 8.270 nan 0.000 0.560 162 S N -0.087 115.584 115.700 -0.049 0.000 2.355 162 S HA -0.141 4.319 4.470 -0.016 0.000 0.222 162 S C 1.706 176.298 174.600 -0.014 0.000 1.031 162 S CA 1.194 59.360 58.200 -0.057 0.000 0.993 162 S CB -0.076 63.075 63.200 -0.081 0.000 0.859 162 S HN 0.515 nan 8.310 nan 0.000 0.453 163 R N 1.746 122.249 120.500 0.004 0.000 2.119 163 R HA -0.204 4.127 4.340 -0.016 0.000 0.246 163 R C 1.867 178.158 176.300 -0.016 0.000 1.146 163 R CA 1.613 57.721 56.100 0.014 0.000 0.962 163 R CB -1.170 29.131 30.300 0.001 0.000 0.863 163 R HN 0.530 nan 8.270 nan 0.000 0.442 164 Q N 1.013 120.792 119.800 -0.034 0.000 2.084 164 Q HA -0.075 4.255 4.340 -0.016 0.000 0.202 164 Q C 2.353 178.296 176.000 -0.096 0.000 0.978 164 Q CA 1.548 57.318 55.803 -0.055 0.000 0.844 164 Q CB -0.593 28.116 28.738 -0.050 0.000 0.898 164 Q HN 0.319 nan 8.270 nan 0.000 0.426 165 V N 1.429 121.278 119.914 -0.109 0.000 2.515 165 V HA -0.187 3.924 4.120 -0.016 0.000 0.250 165 V C 2.135 178.026 176.094 -0.339 0.000 1.058 165 V CA 1.012 63.185 62.300 -0.211 0.000 1.064 165 V CB -0.408 31.331 31.823 -0.139 0.000 0.675 165 V HN 0.327 nan 8.190 nan 0.000 0.461 166 L N -0.127 121.038 121.223 -0.096 0.000 1.988 166 L HA -0.181 4.150 4.340 -0.016 0.000 0.207 166 L C 2.605 179.447 176.870 -0.047 0.000 1.071 166 L CA 2.517 57.376 54.840 0.032 0.000 0.744 166 L CB -0.504 41.621 42.059 0.110 0.000 0.893 166 L HN 0.452 nan 8.230 nan 0.000 0.433 167 E N -0.578 119.585 120.200 -0.062 0.000 2.171 167 E HA -0.223 4.118 4.350 -0.016 0.000 0.197 167 E C 1.904 178.449 176.600 -0.091 0.000 0.997 167 E CA 1.103 57.462 56.400 -0.068 0.000 0.810 167 E CB -0.137 29.534 29.700 -0.049 0.000 0.738 167 E HN 0.650 nan 8.360 nan 0.000 0.467 168 G N 0.052 108.765 108.800 -0.145 0.000 2.418 168 G HA2 -0.263 3.688 3.960 -0.016 0.000 0.217 168 G HA3 -0.263 3.688 3.960 -0.016 0.000 0.217 168 G C 1.234 176.096 174.900 -0.062 0.000 1.158 168 G CA 0.935 45.955 45.100 -0.134 0.000 0.771 168 G HN 0.306 nan 8.290 nan 0.000 0.545 169 H N 0.261 119.345 119.070 0.023 0.000 2.319 169 H HA -0.042 4.506 4.556 -0.015 0.000 0.299 169 H C 2.861 178.193 175.328 0.007 0.000 1.092 169 H CA 1.237 57.313 56.048 0.048 0.000 1.302 169 H CB -0.807 29.011 29.762 0.092 0.000 1.373 169 H HN 0.193 nan 8.280 nan 0.000 0.497 170 V N 1.168 121.095 119.914 0.023 0.000 2.261 170 V HA -0.223 3.887 4.120 -0.016 0.000 0.246 170 V C 2.770 178.714 176.094 -0.251 0.000 1.047 170 V CA 1.597 63.722 62.300 -0.292 0.000 1.015 170 V CB -0.846 30.705 31.823 -0.454 0.000 0.642 170 V HN 0.183 nan 8.190 nan 0.000 0.446 171 L N 0.206 121.346 121.223 -0.138 0.000 2.043 171 L HA -0.202 4.129 4.340 -0.016 0.000 0.212 171 L C 2.638 179.510 176.870 0.003 0.000 1.075 171 L CA 2.500 57.299 54.840 -0.069 0.000 0.752 171 L CB -0.646 41.388 42.059 -0.041 0.000 0.891 171 L HN 0.365 nan 8.230 nan 0.000 0.432 172 S N -1.277 114.448 115.700 0.041 0.000 2.383 172 S HA -0.144 4.316 4.470 -0.016 0.000 0.227 172 S C 1.875 176.551 174.600 0.127 0.000 1.026 172 S CA 1.222 59.475 58.200 0.089 0.000 0.981 172 S CB -0.295 62.980 63.200 0.124 0.000 0.818 172 S HN 0.553 nan 8.310 nan 0.000 0.472 173 E N 1.019 121.320 120.200 0.169 0.000 2.230 173 E HA 0.180 4.521 4.350 -0.016 0.000 0.192 173 E C 2.253 179.039 176.600 0.310 0.000 0.987 173 E CA 0.849 57.408 56.400 0.265 0.000 0.841 173 E CB -0.606 29.340 29.700 0.410 0.000 0.783 173 E HN 0.574 nan 8.360 nan 0.000 0.481 174 A N 1.847 124.820 122.820 0.255 0.000 1.933 174 A HA -0.206 4.105 4.320 -0.016 0.000 0.218 174 A C 2.202 179.891 177.584 0.175 0.000 1.175 174 A CA 1.876 54.074 52.037 0.268 0.000 0.628 174 A CB -0.333 18.732 19.000 0.109 0.000 0.814 174 A HN 0.127 nan 8.150 nan 0.000 0.444 175 R N 0.732 121.304 120.500 0.120 0.000 2.062 175 R HA -0.142 4.188 4.340 -0.016 0.000 0.231 175 R C 1.907 178.252 176.300 0.074 0.000 1.136 175 R CA 2.273 58.424 56.100 0.086 0.000 0.948 175 R CB -0.873 29.467 30.300 0.066 0.000 0.845 175 R HN 0.481 nan 8.270 nan 0.000 0.430 176 E N -0.274 119.975 120.200 0.082 0.000 2.204 176 E HA -0.139 4.202 4.350 -0.016 0.000 0.195 176 E C 1.748 178.360 176.600 0.020 0.000 0.990 176 E CA 1.161 57.587 56.400 0.042 0.000 0.821 176 E CB -0.297 29.445 29.700 0.070 0.000 0.750 176 E HN 0.353 nan 8.360 nan 0.000 0.477 177 L N 0.204 121.478 121.223 0.084 0.000 2.044 177 L HA -0.069 4.261 4.340 -0.016 0.000 0.205 177 L C 2.472 179.385 176.870 0.071 0.000 1.075 177 L CA 1.919 56.806 54.840 0.080 0.000 0.747 177 L CB -0.770 41.376 42.059 0.145 0.000 0.903 177 L HN 0.279 nan 8.230 nan 0.000 0.435 178 V N -1.764 118.208 119.914 0.097 0.000 2.515 178 V HA -0.099 4.011 4.120 -0.016 0.000 0.250 178 V C 2.456 178.563 176.094 0.021 0.000 1.058 178 V CA 1.491 63.838 62.300 0.079 0.000 1.064 178 V CB -1.615 30.257 31.823 0.081 0.000 0.675 178 V HN 0.433 nan 8.190 nan 0.000 0.461 179 A N 0.969 123.793 122.820 0.008 0.000 1.902 179 A HA -0.022 4.288 4.320 -0.016 0.000 0.217 179 A C 2.238 179.796 177.584 -0.043 0.000 1.181 179 A CA 2.204 54.229 52.037 -0.020 0.000 0.623 179 A CB -0.659 18.328 19.000 -0.021 0.000 0.818 179 A HN 0.625 nan 8.150 nan 0.000 0.443 180 L N -0.847 120.336 121.223 -0.067 0.000 2.072 180 L HA -0.095 4.235 4.340 -0.016 0.000 0.205 180 L C 2.528 179.372 176.870 -0.043 0.000 1.079 180 L CA 0.729 55.517 54.840 -0.087 0.000 0.752 180 L CB -0.640 41.329 42.059 -0.150 0.000 0.906 180 L HN 0.327 nan 8.230 nan 0.000 0.436 181 L N -0.628 120.585 121.223 -0.016 0.000 2.046 181 L HA -0.182 4.148 4.340 -0.016 0.000 0.208 181 L C 2.527 179.382 176.870 -0.025 0.000 1.077 181 L CA 0.899 55.742 54.840 0.004 0.000 0.747 181 L CB -0.455 41.650 42.059 0.076 0.000 0.896 181 L HN 0.068 nan 8.230 nan 0.000 0.432 182 V N -0.552 119.340 119.914 -0.038 0.000 2.379 182 V HA -0.225 3.886 4.120 -0.016 0.000 0.245 182 V C 2.610 178.670 176.094 -0.057 0.000 1.044 182 V CA 1.490 63.752 62.300 -0.064 0.000 1.036 182 V CB -0.461 31.322 31.823 -0.066 0.000 0.664 182 V HN 0.344 nan 8.190 nan 0.000 0.453 183 R N 0.831 121.305 120.500 -0.044 0.000 2.070 183 R HA -0.083 4.247 4.340 -0.016 0.000 0.233 183 R C 1.936 178.216 176.300 -0.034 0.000 1.137 183 R CA 1.557 57.636 56.100 -0.035 0.000 0.945 183 R CB -0.788 29.494 30.300 -0.029 0.000 0.845 183 R HN 0.517 nan 8.270 nan 0.000 0.430 184 G N -1.678 107.102 108.800 -0.033 0.000 3.374 184 G HA2 0.002 3.953 3.960 -0.016 0.000 0.252 184 G HA3 0.002 3.953 3.960 -0.016 0.000 0.252 184 G C 0.327 175.202 174.900 -0.041 0.000 1.326 184 G CA 0.322 45.406 45.100 -0.027 0.000 1.133 184 G HN 0.317 nan 8.290 nan 0.000 0.528 185 S N -1.101 114.561 115.700 -0.064 0.000 2.911 185 S HA 0.549 5.010 4.470 -0.016 0.000 0.261 185 S C 1.141 175.671 174.600 -0.117 0.000 1.021 185 S CA 0.384 58.519 58.200 -0.109 0.000 1.222 185 S CB -0.097 63.025 63.200 -0.129 0.000 1.171 185 S HN 0.595 nan 8.310 nan 0.000 0.669 186 A N 1.468 124.242 122.820 -0.077 0.000 2.466 186 A HA 0.418 4.728 4.320 -0.016 0.000 0.238 186 A C 0.405 177.953 177.584 -0.060 0.000 1.074 186 A CA 0.587 52.585 52.037 -0.066 0.000 0.774 186 A CB -0.209 18.765 19.000 -0.043 0.000 1.015 186 A HN 0.527 nan 8.150 nan 0.000 0.498 187 D N 0.001 120.368 120.400 -0.055 0.000 2.772 187 D HA -0.174 4.457 4.640 -0.016 0.000 0.233 187 D C 0.945 177.218 176.300 -0.044 0.000 1.143 187 D CA 2.655 56.631 54.000 -0.041 0.000 0.700 187 D CB -1.616 39.171 40.800 -0.022 0.000 1.076 187 D HN 1.995 nan 8.370 nan 0.000 0.430 188 G N -1.745 107.003 108.800 -0.086 0.000 2.143 188 G HA2 -0.086 3.865 3.960 -0.016 0.000 0.248 188 G HA3 -0.086 3.865 3.960 -0.016 0.000 0.248 188 G C 0.526 175.344 174.900 -0.137 0.000 0.991 188 G CA 0.729 45.763 45.100 -0.109 0.000 0.689 188 G HN 1.201 nan 8.290 nan 0.000 0.522 189 A N -0.794 121.947 122.820 -0.132 0.000 2.332 189 A HA 0.819 5.130 4.320 -0.016 0.000 0.258 189 A C -0.186 177.257 177.584 -0.234 0.000 1.087 189 A CA 0.023 52.023 52.037 -0.061 0.000 0.802 189 A CB 0.537 19.527 19.000 -0.017 0.000 1.042 189 A HN 0.680 nan 8.150 nan 0.000 0.489 190 F N 0.456 120.397 119.950 -0.016 0.000 2.561 190 F HA 0.678 5.196 4.527 -0.016 0.000 0.321 190 F C -0.120 175.656 175.800 -0.041 0.000 1.065 190 F CA -0.728 57.259 58.000 -0.021 0.000 0.934 190 F CB 2.217 41.207 39.000 -0.017 0.000 1.215 190 F HN 0.493 nan 8.300 nan 0.000 0.471 191 L N 0.209 121.502 121.223 0.117 0.000 2.506 191 L HA 0.497 4.828 4.340 -0.016 0.000 0.257 191 L C -1.346 175.477 176.870 -0.077 0.000 0.964 191 L CA -0.787 54.059 54.840 0.011 0.000 0.836 191 L CB 1.334 43.384 42.059 -0.015 0.000 1.384 191 L HN 0.565 nan 8.230 nan 0.000 0.410 192 D N 4.940 125.253 120.400 -0.144 0.000 2.338 192 D HA 0.239 4.869 4.640 -0.016 0.000 0.255 192 D C -1.645 174.485 176.300 -0.283 0.000 1.237 192 D CA -1.324 52.495 54.000 -0.301 0.000 0.883 192 D CB 1.750 42.402 40.800 -0.246 0.000 1.087 192 D HN 0.535 nan 8.370 nan 0.000 0.485 193 P HA -0.134 nan 4.420 nan 0.000 0.219 193 P C 1.188 178.366 177.300 -0.203 0.000 1.150 193 P CA 0.607 63.559 63.100 -0.246 0.000 0.814 193 P CB 0.560 32.111 31.700 -0.249 0.000 0.787 194 R N 0.644 120.996 120.500 -0.246 0.000 2.143 194 R HA -0.170 4.160 4.340 -0.016 0.000 0.239 194 R C -0.082 176.141 176.300 -0.127 0.000 1.126 194 R CA 2.480 58.484 56.100 -0.159 0.000 0.927 194 R CB -2.717 27.496 30.300 -0.144 0.000 0.860 194 R HN 0.296 nan 8.270 nan 0.000 0.433 195 P HA -0.181 nan 4.420 nan 0.000 0.217 195 P C 1.242 178.502 177.300 -0.068 0.000 1.151 195 P CA 1.416 64.459 63.100 -0.095 0.000 0.849 195 P CB -0.122 31.530 31.700 -0.080 0.000 0.787 196 L N -1.094 120.093 121.223 -0.061 0.000 2.093 196 L HA -0.137 4.194 4.340 -0.016 0.000 0.208 196 L C 2.572 179.411 176.870 -0.052 0.000 1.085 196 L CA 2.237 57.058 54.840 -0.032 0.000 0.755 196 L CB -1.711 40.326 42.059 -0.036 0.000 0.904 196 L HN 0.164 nan 8.230 nan 0.000 0.435 197 T N -3.307 111.187 114.554 -0.100 0.000 2.951 197 T HA -0.058 4.282 4.350 -0.016 0.000 0.268 197 T C 1.772 176.384 174.700 -0.147 0.000 1.073 197 T CA 0.902 62.911 62.100 -0.152 0.000 1.134 197 T CB -0.484 68.276 68.868 -0.179 0.000 0.884 197 T HN 0.080 nan 8.240 nan 0.000 0.479 198 V N 1.628 121.472 119.914 -0.117 0.000 2.270 198 V HA -0.118 3.993 4.120 -0.016 0.000 0.245 198 V C 2.956 179.011 176.094 -0.064 0.000 1.043 198 V CA 1.479 63.708 62.300 -0.118 0.000 1.014 198 V CB -0.917 30.820 31.823 -0.144 0.000 0.645 198 V HN 0.388 nan 8.190 nan 0.000 0.447 199 V N 0.676 120.578 119.914 -0.019 0.000 2.392 199 V HA -0.287 3.824 4.120 -0.016 0.000 0.249 199 V C 2.717 178.929 176.094 0.198 0.000 1.059 199 V CA 2.101 64.476 62.300 0.125 0.000 1.051 199 V CB -1.289 30.637 31.823 0.171 0.000 0.658 199 V HN 0.563 nan 8.190 nan 0.000 0.455 200 A N -0.543 122.335 122.820 0.096 0.000 1.969 200 A HA -0.095 4.215 4.320 -0.016 0.000 0.218 200 A C 2.318 179.992 177.584 0.149 0.000 1.169 200 A CA 1.836 53.946 52.037 0.123 0.000 0.635 200 A CB -0.405 18.602 19.000 0.011 0.000 0.810 200 A HN 0.368 nan 8.150 nan 0.000 0.445 201 V N -0.681 119.245 119.914 0.019 0.000 2.649 201 V HA -0.049 4.062 4.120 -0.016 0.000 0.248 201 V C 2.888 179.084 176.094 0.170 0.000 1.054 201 V CA 1.385 63.721 62.300 0.060 0.000 1.073 201 V CB -0.686 31.084 31.823 -0.088 0.000 0.699 201 V HN 0.560 nan 8.190 nan 0.000 0.463 202 A N 0.301 123.235 122.820 0.189 0.000 2.015 202 A HA -0.157 4.153 4.320 -0.016 0.000 0.219 202 A C 2.017 179.928 177.584 0.545 0.000 1.163 202 A CA 1.645 53.895 52.037 0.354 0.000 0.646 202 A CB -0.481 18.727 19.000 0.345 0.000 0.806 202 A HN 0.549 nan 8.150 nan 0.000 0.448 203 N N 0.020 118.979 118.700 0.432 0.000 2.250 203 N HA -0.071 4.659 4.740 -0.016 0.000 0.181 203 N C 1.665 177.312 175.510 0.229 0.000 1.017 203 N CA 1.292 54.544 53.050 0.336 0.000 0.866 203 N CB -0.374 38.285 38.487 0.287 0.000 0.985 203 N HN 0.222 nan 8.380 nan 0.000 0.429 204 V N 1.434 121.506 119.914 0.263 0.000 2.332 204 V HA -0.201 3.910 4.120 -0.016 0.000 0.248 204 V C 2.151 178.335 176.094 0.150 0.000 1.055 204 V CA 1.290 63.722 62.300 0.221 0.000 1.038 204 V CB -0.308 31.706 31.823 0.319 0.000 0.651 204 V HN 0.295 nan 8.190 nan 0.000 0.450 205 M N -1.175 118.560 119.600 0.226 0.000 2.447 205 M HA 0.027 4.498 4.480 -0.016 0.000 0.264 205 M C 2.358 178.693 176.300 0.058 0.000 1.095 205 M CA 1.055 56.484 55.300 0.216 0.000 1.125 205 M CB -1.151 31.662 32.600 0.355 0.000 1.389 205 M HN 0.383 nan 8.290 nan 0.000 0.459 206 S N 0.838 116.625 115.700 0.146 0.000 2.368 206 S HA 0.003 4.463 4.470 -0.016 0.000 0.224 206 S C 1.986 176.481 174.600 -0.175 0.000 1.029 206 S CA 1.350 59.527 58.200 -0.039 0.000 0.988 206 S CB 0.072 63.452 63.200 0.300 0.000 0.838 206 S HN 0.497 nan 8.310 nan 0.000 0.462 207 A N 0.418 123.162 122.820 -0.125 0.000 1.929 207 A HA 0.080 4.391 4.320 -0.016 0.000 0.216 207 A C 2.246 179.720 177.584 -0.184 0.000 1.176 207 A CA 1.276 53.179 52.037 -0.223 0.000 0.628 207 A CB -0.738 17.947 19.000 -0.525 0.000 0.816 207 A HN 0.412 nan 8.150 nan 0.000 0.444 208 V N -1.206 118.637 119.914 -0.118 0.000 2.427 208 V HA -0.254 3.856 4.120 -0.016 0.000 0.248 208 V C 2.431 178.522 176.094 -0.005 0.000 1.051 208 V CA 2.033 64.402 62.300 0.115 0.000 1.048 208 V CB -0.586 31.411 31.823 0.289 0.000 0.666 208 V HN 0.715 nan 8.190 nan 0.000 0.456 209 C N -1.052 118.069 119.300 -0.299 0.000 2.527 209 C HA 0.147 4.598 4.460 -0.016 0.000 0.280 209 C C 2.009 176.790 174.990 -0.348 0.000 1.353 209 C CA 0.172 58.885 59.018 -0.508 0.000 1.749 209 C CB -0.669 26.502 27.740 -0.948 0.000 2.088 209 C HN 0.600 nan 8.230 nan 0.000 0.508 210 F N -0.450 119.499 119.950 -0.002 0.000 2.784 210 F HA 0.385 4.903 4.527 -0.014 0.000 0.323 210 F C 1.843 177.725 175.800 0.138 0.000 1.085 210 F CA 0.216 58.236 58.000 0.034 0.000 1.196 210 F CB -1.186 37.773 39.000 -0.067 0.000 1.053 210 F HN 0.171 nan 8.300 nan 0.000 0.578 211 G N 0.850 109.738 108.800 0.147 0.000 2.143 211 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.248 211 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.248 211 G C -0.049 174.881 174.900 0.051 0.000 0.991 211 G CA 0.014 45.174 45.100 0.099 0.000 0.689 211 G HN 0.667 nan 8.290 nan 0.000 0.522 212 C N 0.637 119.965 119.300 0.048 0.000 2.535 212 C HA 0.922 5.373 4.460 -0.016 0.000 0.319 212 C C 0.291 175.232 174.990 -0.083 0.000 1.171 212 C CA -0.584 58.406 59.018 -0.048 0.000 1.394 212 C CB 0.922 28.612 27.740 -0.084 0.000 1.990 212 C HN 0.999 nan 8.230 nan 0.000 0.466 213 R N 3.626 124.044 120.500 -0.136 0.000 2.732 213 R HA 0.768 5.099 4.340 -0.016 0.000 0.278 213 R C -1.700 174.449 176.300 -0.252 0.000 0.976 213 R CA -0.467 55.583 56.100 -0.084 0.000 0.963 213 R CB 0.903 31.210 30.300 0.012 0.000 1.150 213 R HN 0.709 nan 8.270 nan 0.000 0.478 214 Y N 0.227 120.396 120.300 -0.219 0.000 2.496 214 Y HA 0.330 4.871 4.550 -0.016 0.000 0.331 214 Y C 0.271 176.152 175.900 -0.031 0.000 1.140 214 Y CA -0.713 57.248 58.100 -0.232 0.000 1.166 214 Y CB 2.318 40.390 38.460 -0.647 0.000 1.249 214 Y HN 0.634 nan 8.280 nan 0.000 0.479 215 S N 2.086 117.872 115.700 0.143 0.000 2.564 215 S HA -0.047 4.414 4.470 -0.016 0.000 0.278 215 S C 1.141 175.830 174.600 0.148 0.000 1.333 215 S CA -0.625 57.646 58.200 0.119 0.000 1.048 215 S CB 0.129 63.343 63.200 0.024 0.000 0.900 215 S HN 0.843 nan 8.310 nan 0.000 0.505 216 H N 1.708 120.873 119.070 0.158 0.000 2.543 216 H HA -0.044 4.503 4.556 -0.016 0.000 0.286 216 H C 0.196 175.599 175.328 0.125 0.000 1.037 216 H CA 1.143 57.285 56.048 0.156 0.000 1.250 216 H CB -0.062 29.766 29.762 0.110 0.000 1.373 216 H HN 0.553 nan 8.280 nan 0.000 0.580 217 D N 0.842 120.911 120.400 -0.552 0.000 2.305 217 D HA -0.071 4.560 4.640 -0.016 0.000 0.206 217 D C 0.307 176.555 176.300 -0.086 0.000 0.974 217 D CA 0.083 53.869 54.000 -0.357 0.000 0.871 217 D CB -0.104 40.475 40.800 -0.368 0.000 0.947 217 D HN 0.326 nan 8.370 nan 0.000 0.516 218 D N 2.396 122.804 120.400 0.014 0.000 2.536 218 D HA -0.066 4.564 4.640 -0.016 0.000 0.260 218 D C -1.134 175.225 176.300 0.099 0.000 1.270 218 D CA -0.892 53.176 54.000 0.114 0.000 0.934 218 D CB 1.621 42.579 40.800 0.263 0.000 1.129 218 D HN 0.078 nan 8.370 nan 0.000 0.533 219 P HA -0.154 nan 4.420 nan 0.000 0.214 219 P C 1.273 178.582 177.300 0.016 0.000 1.162 219 P CA 0.849 63.962 63.100 0.021 0.000 0.874 219 P CB 0.285 31.993 31.700 0.014 0.000 0.784 220 E N -1.372 118.854 120.200 0.043 0.000 2.219 220 E HA -0.195 4.145 4.350 -0.016 0.000 0.198 220 E C 1.736 178.328 176.600 -0.015 0.000 0.998 220 E CA 0.744 57.160 56.400 0.028 0.000 0.818 220 E CB -0.372 29.370 29.700 0.070 0.000 0.741 220 E HN 0.146 nan 8.360 nan 0.000 0.477 221 F N 0.511 120.336 119.950 -0.207 0.000 2.374 221 F HA 0.157 4.674 4.527 -0.016 0.000 0.291 221 F C 2.075 177.720 175.800 -0.258 0.000 1.084 221 F CA 0.538 58.305 58.000 -0.388 0.000 1.413 221 F CB 0.104 38.773 39.000 -0.552 0.000 1.099 221 F HN -0.182 nan 8.300 nan 0.000 0.534 222 R N 0.305 120.700 120.500 -0.175 0.000 2.148 222 R HA -0.141 4.190 4.340 -0.016 0.000 0.227 222 R C 2.016 178.159 176.300 -0.262 0.000 1.103 222 R CA 1.348 57.300 56.100 -0.246 0.000 0.983 222 R CB -0.348 29.896 30.300 -0.094 0.000 0.874 222 R HN 0.343 nan 8.270 nan 0.000 0.451 223 E N 1.580 121.664 120.200 -0.194 0.000 2.028 223 E HA -0.140 4.200 4.350 -0.016 0.000 0.191 223 E C 1.887 178.386 176.600 -0.167 0.000 0.988 223 E CA 0.917 57.222 56.400 -0.157 0.000 0.799 223 E CB -0.551 29.111 29.700 -0.064 0.000 0.755 223 E HN 0.124 nan 8.360 nan 0.000 0.447 224 L N 0.311 121.403 121.223 -0.218 0.000 2.137 224 L HA -0.134 4.196 4.340 -0.016 0.000 0.213 224 L C 1.476 178.237 176.870 -0.181 0.000 1.085 224 L CA 1.565 56.254 54.840 -0.251 0.000 0.760 224 L CB -0.219 41.484 42.059 -0.593 0.000 0.893 224 L HN 0.326 nan 8.230 nan 0.000 0.434 225 L N -0.501 120.514 121.223 -0.347 0.000 2.741 225 L HA 0.081 4.412 4.340 -0.016 0.000 0.237 225 L C 1.369 178.093 176.870 -0.243 0.000 1.178 225 L CA 0.145 54.820 54.840 -0.275 0.000 0.973 225 L CB 0.084 41.855 42.059 -0.481 0.000 1.255 225 L HN 0.232 nan 8.230 nan 0.000 0.498 226 S N -2.534 112.974 115.700 -0.321 0.000 2.561 226 S HA 0.165 4.626 4.470 -0.016 0.000 0.245 226 S C 0.680 174.914 174.600 -0.610 0.000 1.001 226 S CA -0.434 57.506 58.200 -0.433 0.000 1.002 226 S CB -0.251 62.665 63.200 -0.473 0.000 0.805 226 S HN 0.363 nan 8.310 nan 0.000 0.458 227 H N 0.571 119.623 119.070 -0.031 0.000 3.007 227 H HA 0.328 4.874 4.556 -0.016 0.000 0.251 227 H C 0.327 175.669 175.328 0.024 0.000 1.188 227 H CA -0.446 55.603 56.048 0.002 0.000 1.017 227 H CB 0.022 29.793 29.762 0.015 0.000 1.805 227 H HN 0.322 nan 8.280 nan 0.000 0.659 228 N N 1.182 119.917 118.700 0.059 0.000 2.289 228 N HA -0.155 4.575 4.740 -0.016 0.000 0.184 228 N C 1.895 177.482 175.510 0.129 0.000 1.016 228 N CA 0.838 53.920 53.050 0.053 0.000 0.872 228 N CB 0.313 38.782 38.487 -0.030 0.000 0.973 228 N HN 0.622 nan 8.380 nan 0.000 0.433 229 E N 1.259 121.520 120.200 0.101 0.000 2.072 229 E HA -0.147 4.194 4.350 -0.016 0.000 0.190 229 E C 1.056 177.739 176.600 0.138 0.000 0.982 229 E CA 0.901 57.362 56.400 0.103 0.000 0.803 229 E CB 0.078 29.813 29.700 0.058 0.000 0.755 229 E HN 0.216 nan 8.360 nan 0.000 0.453 230 E N -0.286 120.010 120.200 0.161 0.000 2.265 230 E HA -0.140 4.201 4.350 -0.016 0.000 0.196 230 E C 1.400 178.141 176.600 0.235 0.000 0.996 230 E CA 0.896 57.395 56.400 0.164 0.000 0.832 230 E CB -0.183 29.615 29.700 0.164 0.000 0.756 230 E HN 0.364 nan 8.360 nan 0.000 0.491 231 F N -0.286 119.753 119.950 0.148 0.000 2.187 231 F HA 0.094 4.612 4.527 -0.015 0.000 0.295 231 F C 2.123 178.019 175.800 0.159 0.000 1.091 231 F CA 1.401 59.531 58.000 0.216 0.000 1.308 231 F CB -0.174 38.846 39.000 0.035 0.000 1.030 231 F HN 0.035 nan 8.300 nan 0.000 0.487 232 G N -0.020 108.959 108.800 0.297 0.000 2.464 232 G HA2 -0.122 3.828 3.960 -0.016 0.000 0.217 232 G HA3 -0.122 3.828 3.960 -0.016 0.000 0.217 232 G C 1.731 176.662 174.900 0.051 0.000 1.138 232 G CA 0.110 45.325 45.100 0.192 0.000 0.793 232 G HN 0.234 nan 8.290 nan 0.000 0.539 233 R N -0.139 120.380 120.500 0.033 0.000 2.115 233 R HA -0.014 4.316 4.340 -0.016 0.000 0.230 233 R C 2.611 178.841 176.300 -0.116 0.000 1.111 233 R CA 1.459 57.550 56.100 -0.015 0.000 0.976 233 R CB -0.344 29.958 30.300 0.003 0.000 0.870 233 R HN 0.253 nan 8.270 nan 0.000 0.445 234 T N 0.426 114.846 114.554 -0.224 0.000 2.809 234 T HA -0.068 4.272 4.350 -0.016 0.000 0.260 234 T C 1.861 176.315 174.700 -0.411 0.000 1.039 234 T CA 1.556 63.383 62.100 -0.456 0.000 1.141 234 T CB 0.055 68.311 68.868 -1.021 0.000 0.869 234 T HN 0.226 nan 8.240 nan 0.000 0.437 235 V N -0.541 119.171 119.914 -0.336 0.000 3.471 235 V HA 0.448 4.559 4.120 -0.016 0.000 0.258 235 V C 1.327 177.468 176.094 0.078 0.000 1.192 235 V CA -0.061 62.206 62.300 -0.054 0.000 1.116 235 V CB -1.173 30.556 31.823 -0.156 0.000 0.792 235 V HN 0.307 nan 8.190 nan 0.000 0.459 236 G N 1.147 109.951 108.800 0.005 0.000 2.353 236 G HA2 0.393 4.344 3.960 -0.016 0.000 0.239 236 G HA3 0.393 4.344 3.960 -0.016 0.000 0.239 236 G C 0.384 175.259 174.900 -0.040 0.000 1.295 236 G CA 0.258 45.368 45.100 0.016 0.000 0.884 236 G HN 1.058 nan 8.290 nan 0.000 0.537 237 A N 1.614 124.331 122.820 -0.172 0.000 2.545 237 A HA 0.543 4.854 4.320 -0.016 0.000 0.253 237 A C 1.573 179.097 177.584 -0.100 0.000 1.074 237 A CA 1.118 52.845 52.037 -0.517 0.000 0.760 237 A CB -0.233 18.029 19.000 -1.230 0.000 1.005 237 A HN 2.441 nan 8.150 nan 0.000 0.506 238 G N 1.270 110.146 108.800 0.128 0.000 2.481 238 G HA2 -0.136 3.815 3.960 -0.016 0.000 0.200 238 G HA3 -0.136 3.815 3.960 -0.016 0.000 0.200 238 G C 0.790 175.724 174.900 0.057 0.000 1.012 238 G CA 0.363 45.573 45.100 0.182 0.000 0.676 238 G HN 1.665 nan 8.290 nan 0.000 0.488 239 S N 0.317 116.009 115.700 -0.012 0.000 2.554 239 S HA 0.327 4.787 4.470 -0.016 0.000 0.290 239 S C 1.572 176.077 174.600 -0.158 0.000 1.309 239 S CA 0.551 58.690 58.200 -0.100 0.000 1.047 239 S CB 0.361 63.474 63.200 -0.146 0.000 0.828 239 S HN 0.503 nan 8.310 nan 0.000 0.509 240 L N 4.784 125.881 121.223 -0.211 0.000 2.664 240 L HA 0.101 4.432 4.340 -0.016 0.000 0.233 240 L C 2.024 178.658 176.870 -0.393 0.000 1.113 240 L CA -0.032 54.645 54.840 -0.272 0.000 0.896 240 L CB -0.240 41.669 42.059 -0.250 0.000 1.163 240 L HN 0.527 nan 8.230 nan 0.000 0.497 241 V N 0.419 120.087 119.914 -0.412 0.000 2.231 241 V HA -0.368 3.743 4.120 -0.016 0.000 0.250 241 V C 2.096 177.823 176.094 -0.612 0.000 1.058 241 V CA 2.306 64.293 62.300 -0.522 0.000 1.022 241 V CB -0.365 31.146 31.823 -0.520 0.000 0.640 241 V HN 0.493 nan 8.190 nan 0.000 0.445 242 D N 0.227 120.246 120.400 -0.635 0.000 2.091 242 D HA -0.098 4.533 4.640 -0.016 0.000 0.199 242 D C 2.119 178.092 176.300 -0.546 0.000 0.980 242 D CA 1.896 55.489 54.000 -0.679 0.000 0.831 242 D CB -0.226 39.935 40.800 -1.065 0.000 0.987 242 D HN 0.524 nan 8.370 nan 0.000 0.460 243 V N -1.246 118.356 119.914 -0.521 0.000 3.078 243 V HA -0.007 4.103 4.120 -0.016 0.000 0.265 243 V C 1.349 177.321 176.094 -0.204 0.000 1.122 243 V CA 0.828 62.946 62.300 -0.304 0.000 1.141 243 V CB -0.473 31.218 31.823 -0.219 0.000 0.735 243 V HN 0.078 nan 8.190 nan 0.000 0.498 244 M N 1.151 120.559 119.600 -0.320 0.000 3.124 244 M HA 0.331 4.802 4.480 -0.016 0.000 0.298 244 M C -1.860 174.043 176.300 -0.662 0.000 1.403 244 M CA -1.237 53.818 55.300 -0.408 0.000 0.651 244 M CB 1.487 33.772 32.600 -0.525 0.000 1.412 244 M HN 0.091 nan 8.290 nan 0.000 0.477 245 P HA -0.201 nan 4.420 nan 0.000 0.218 245 P C 1.336 178.232 177.300 -0.673 0.000 1.146 245 P CA 1.770 64.590 63.100 -0.468 0.000 0.820 245 P CB -0.409 31.139 31.700 -0.255 0.000 0.778 246 W N -0.035 120.920 121.300 -0.576 0.000 2.424 246 W HA -0.049 4.602 4.660 -0.015 0.000 0.264 246 W C 1.382 177.474 176.519 -0.712 0.000 1.229 246 W CA 0.078 56.856 57.345 -0.945 0.000 1.208 246 W CB -1.938 27.409 29.460 -0.189 0.000 1.127 246 W HN -0.083 nan 8.180 nan 0.000 0.588 247 L N 1.085 121.670 121.223 -1.064 0.000 2.465 247 L HA -0.140 4.190 4.340 -0.016 0.000 0.224 247 L C 2.605 179.001 176.870 -0.790 0.000 1.145 247 L CA 0.876 55.116 54.840 -1.000 0.000 0.834 247 L CB -0.450 41.001 42.059 -1.014 0.000 0.944 247 L HN -0.079 nan 8.230 nan 0.000 0.451 248 Q N -1.163 118.250 119.800 -0.645 0.000 2.389 248 Q HA -0.068 4.263 4.340 -0.016 0.000 0.204 248 Q C 1.634 177.553 176.000 -0.135 0.000 0.944 248 Q CA 0.810 56.397 55.803 -0.360 0.000 0.908 248 Q CB -0.014 28.569 28.738 -0.259 0.000 1.002 248 Q HN 0.485 nan 8.270 nan 0.000 0.493 249 Y N 0.028 120.299 120.300 -0.048 0.000 2.574 249 Y HA -0.018 4.522 4.550 -0.016 0.000 0.294 249 Y C 0.735 176.770 175.900 0.226 0.000 1.142 249 Y CA -0.190 57.995 58.100 0.142 0.000 1.314 249 Y CB -0.456 38.194 38.460 0.317 0.000 0.991 249 Y HN 0.034 nan 8.280 nan 0.000 0.555 250 F N -3.892 116.155 119.950 0.161 0.000 2.741 250 F HA 0.674 5.191 4.527 -0.015 0.000 0.313 250 F C -3.378 172.452 175.800 0.050 0.000 1.153 250 F CA -3.694 54.371 58.000 0.109 0.000 0.931 250 F CB 0.784 39.859 39.000 0.126 0.000 1.335 250 F HN -0.442 nan 8.300 nan 0.000 0.460 251 P HA 0.243 nan 4.420 nan 0.000 0.262 251 P C -1.409 175.877 177.300 -0.024 0.000 1.199 251 P CA 0.525 63.642 63.100 0.028 0.000 0.763 251 P CB 0.184 31.954 31.700 0.116 0.000 0.790 252 N N 1.879 120.497 118.700 -0.135 0.000 3.322 252 N HA 0.238 4.969 4.740 -0.016 0.000 0.233 252 N C -2.894 172.543 175.510 -0.121 0.000 1.399 252 N CA -1.650 51.331 53.050 -0.114 0.000 0.894 252 N CB 0.005 38.365 38.487 -0.212 0.000 1.440 252 N HN -0.104 nan 8.380 nan 0.000 0.503 253 P HA -0.148 nan 4.420 nan 0.000 0.216 253 P C 1.069 178.304 177.300 -0.108 0.000 1.150 253 P CA 1.040 64.095 63.100 -0.074 0.000 0.843 253 P CB 0.227 31.896 31.700 -0.053 0.000 0.787 254 V N -0.488 119.322 119.914 -0.172 0.000 2.515 254 V HA -0.159 3.952 4.120 -0.016 0.000 0.250 254 V C 2.577 178.556 176.094 -0.191 0.000 1.058 254 V CA 1.424 63.597 62.300 -0.212 0.000 1.064 254 V CB -0.915 30.717 31.823 -0.319 0.000 0.675 254 V HN 0.073 nan 8.190 nan 0.000 0.461 255 R N 0.392 120.760 120.500 -0.219 0.000 2.073 255 R HA -0.097 4.234 4.340 -0.016 0.000 0.229 255 R C 2.363 178.631 176.300 -0.055 0.000 1.120 255 R CA 1.943 57.949 56.100 -0.156 0.000 0.967 255 R CB -0.753 29.412 30.300 -0.225 0.000 0.862 255 R HN 0.538 nan 8.270 nan 0.000 0.436 256 T N 0.779 115.292 114.554 -0.068 0.000 2.652 256 T HA -0.142 4.198 4.350 -0.016 0.000 0.267 256 T C 1.855 176.543 174.700 -0.019 0.000 1.039 256 T CA 1.581 63.658 62.100 -0.037 0.000 1.153 256 T CB -0.539 68.309 68.868 -0.033 0.000 0.863 256 T HN 0.060 nan 8.240 nan 0.000 0.428 257 V N 0.963 120.868 119.914 -0.015 0.000 2.343 257 V HA -0.131 3.980 4.120 -0.016 0.000 0.247 257 V C 2.042 178.166 176.094 0.050 0.000 1.051 257 V CA 1.763 64.068 62.300 0.008 0.000 1.036 257 V CB -0.621 31.190 31.823 -0.020 0.000 0.654 257 V HN 0.503 nan 8.190 nan 0.000 0.451 258 F N 1.365 121.245 119.950 -0.118 0.000 2.134 258 F HA -0.115 4.403 4.527 -0.016 0.000 0.299 258 F C 2.466 178.279 175.800 0.023 0.000 1.097 258 F CA 1.954 59.893 58.000 -0.103 0.000 1.264 258 F CB -0.436 38.451 39.000 -0.189 0.000 1.001 258 F HN 0.059 nan 8.300 nan 0.000 0.479 259 R N 0.242 120.631 120.500 -0.186 0.000 2.092 259 R HA -0.137 4.194 4.340 -0.016 0.000 0.231 259 R C 2.139 178.322 176.300 -0.195 0.000 1.119 259 R CA 1.778 57.731 56.100 -0.245 0.000 0.970 259 R CB -0.406 29.830 30.300 -0.107 0.000 0.864 259 R HN 0.418 nan 8.270 nan 0.000 0.440 260 E N -0.139 119.993 120.200 -0.112 0.000 2.106 260 E HA -0.199 4.141 4.350 -0.016 0.000 0.192 260 E C 1.651 178.179 176.600 -0.119 0.000 0.984 260 E CA 0.989 57.318 56.400 -0.119 0.000 0.806 260 E CB -0.175 29.485 29.700 -0.068 0.000 0.750 260 E HN 0.230 nan 8.360 nan 0.000 0.458 261 F N 2.402 122.211 119.950 -0.234 0.000 2.069 261 F HA -0.222 4.296 4.527 -0.016 0.000 0.298 261 F C 2.029 177.674 175.800 -0.260 0.000 1.113 261 F CA 1.765 59.633 58.000 -0.221 0.000 1.214 261 F CB -0.011 38.864 39.000 -0.209 0.000 0.978 261 F HN -0.087 nan 8.300 nan 0.000 0.474 262 E N -0.460 119.583 120.200 -0.261 0.000 2.077 262 E HA -0.264 4.076 4.350 -0.016 0.000 0.193 262 E C 2.259 178.706 176.600 -0.256 0.000 0.989 262 E CA 1.126 57.332 56.400 -0.322 0.000 0.800 262 E CB -0.299 29.178 29.700 -0.372 0.000 0.746 262 E HN 0.462 nan 8.360 nan 0.000 0.452 263 Q N 0.499 120.164 119.800 -0.226 0.000 2.061 263 Q HA -0.193 4.138 4.340 -0.016 0.000 0.204 263 Q C 2.537 178.430 176.000 -0.179 0.000 0.984 263 Q CA 1.400 57.093 55.803 -0.183 0.000 0.846 263 Q CB -0.225 28.397 28.738 -0.193 0.000 0.902 263 Q HN 0.340 nan 8.270 nan 0.000 0.421 264 L N -0.511 120.573 121.223 -0.231 0.000 2.093 264 L HA -0.034 4.296 4.340 -0.016 0.000 0.208 264 L C 1.659 178.492 176.870 -0.062 0.000 1.085 264 L CA 1.743 56.495 54.840 -0.147 0.000 0.755 264 L CB -0.945 41.022 42.059 -0.154 0.000 0.904 264 L HN -0.015 nan 8.230 nan 0.000 0.435 265 N N 0.608 119.171 118.700 -0.228 0.000 2.244 265 N HA -0.183 4.548 4.740 -0.016 0.000 0.183 265 N C 2.025 177.514 175.510 -0.034 0.000 1.016 265 N CA 1.429 54.370 53.050 -0.183 0.000 0.866 265 N CB -0.283 37.975 38.487 -0.382 0.000 0.980 265 N HN 0.498 nan 8.380 nan 0.000 0.430 266 R N 1.073 121.533 120.500 -0.067 0.000 2.092 266 R HA -0.012 4.318 4.340 -0.016 0.000 0.231 266 R C 1.262 177.584 176.300 0.038 0.000 1.119 266 R CA 1.134 57.222 56.100 -0.021 0.000 0.970 266 R CB 0.090 30.359 30.300 -0.052 0.000 0.864 266 R HN 0.190 nan 8.270 nan 0.000 0.440 267 N N -0.118 118.615 118.700 0.055 0.000 2.216 267 N HA -0.128 4.602 4.740 -0.016 0.000 0.183 267 N C 1.484 177.084 175.510 0.150 0.000 1.017 267 N CA 1.003 54.102 53.050 0.082 0.000 0.861 267 N CB -0.372 38.148 38.487 0.055 0.000 0.986 267 N HN 0.131 nan 8.380 nan 0.000 0.428 268 F N 1.780 121.751 119.950 0.035 0.000 2.134 268 F HA -0.080 4.438 4.527 -0.017 0.000 0.299 268 F C 2.496 178.400 175.800 0.174 0.000 1.097 268 F CA 1.018 59.092 58.000 0.122 0.000 1.264 268 F CB -0.230 38.812 39.000 0.070 0.000 1.001 268 F HN -0.048 nan 8.300 nan 0.000 0.479 269 S N 0.059 115.922 115.700 0.273 0.000 2.368 269 S HA -0.178 4.283 4.470 -0.016 0.000 0.225 269 S C 1.788 176.442 174.600 0.091 0.000 1.030 269 S CA 1.267 59.557 58.200 0.151 0.000 0.999 269 S CB -0.403 62.846 63.200 0.081 0.000 0.844 269 S HN 0.384 nan 8.310 nan 0.000 0.459 270 N N 1.024 119.779 118.700 0.092 0.000 2.188 270 N HA -0.034 4.696 4.740 -0.016 0.000 0.184 270 N C 1.446 176.985 175.510 0.049 0.000 1.018 270 N CA 0.811 53.895 53.050 0.057 0.000 0.858 270 N CB -0.520 38.001 38.487 0.056 0.000 0.989 270 N HN 0.419 nan 8.380 nan 0.000 0.426 271 F N 1.696 121.598 119.950 -0.080 0.000 2.126 271 F HA -0.029 4.489 4.527 -0.016 0.000 0.299 271 F C 2.044 177.713 175.800 -0.219 0.000 1.096 271 F CA 1.178 59.087 58.000 -0.152 0.000 1.255 271 F CB -0.212 38.651 39.000 -0.227 0.000 0.997 271 F HN -0.076 nan 8.300 nan 0.000 0.479 272 I N -0.700 119.728 120.570 -0.236 0.000 2.716 272 I HA -0.171 3.989 4.170 -0.016 0.000 0.259 272 I C 2.281 178.268 176.117 -0.216 0.000 1.172 272 I CA 0.434 61.510 61.300 -0.374 0.000 1.478 272 I CB -0.234 37.726 38.000 -0.067 0.000 1.104 272 I HN 0.204 nan 8.210 nan 0.000 0.439 273 L N 0.566 121.730 121.223 -0.097 0.000 2.027 273 L HA -0.271 4.059 4.340 -0.016 0.000 0.206 273 L C 2.415 179.293 176.870 0.012 0.000 1.074 273 L CA 1.703 56.541 54.840 -0.005 0.000 0.745 273 L CB -0.470 41.589 42.059 -0.000 0.000 0.898 273 L HN 0.344 nan 8.230 nan 0.000 0.433 274 D N 0.003 120.352 120.400 -0.086 0.000 2.104 274 D HA -0.251 4.380 4.640 -0.016 0.000 0.194 274 D C 1.962 178.178 176.300 -0.140 0.000 0.994 274 D CA 1.503 55.444 54.000 -0.099 0.000 0.830 274 D CB 0.140 40.865 40.800 -0.125 0.000 0.959 274 D HN 0.300 nan 8.370 nan 0.000 0.452 275 K N -0.505 119.715 120.400 -0.300 0.000 2.097 275 K HA -0.147 4.164 4.320 -0.016 0.000 0.206 275 K C 2.208 178.739 176.600 -0.115 0.000 1.049 275 K CA 0.812 56.917 56.287 -0.304 0.000 0.933 275 K CB -0.383 31.657 32.500 -0.766 0.000 0.717 275 K HN 0.185 nan 8.250 nan 0.000 0.442 276 F N 2.148 121.951 119.950 -0.245 0.000 2.069 276 F HA -0.202 4.315 4.527 -0.017 0.000 0.298 276 F C 1.783 177.562 175.800 -0.035 0.000 1.113 276 F CA 1.425 59.340 58.000 -0.141 0.000 1.214 276 F CB -0.349 38.577 39.000 -0.123 0.000 0.978 276 F HN -0.118 nan 8.300 nan 0.000 0.474 277 L N -0.093 121.062 121.223 -0.114 0.000 2.127 277 L HA -0.210 4.120 4.340 -0.016 0.000 0.211 277 L C 2.694 179.455 176.870 -0.181 0.000 1.089 277 L CA 1.306 56.034 54.840 -0.187 0.000 0.757 277 L CB -0.653 41.398 42.059 -0.014 0.000 0.899 277 L HN 0.133 nan 8.230 nan 0.000 0.434 278 R N -1.051 119.388 120.500 -0.100 0.000 2.075 278 R HA -0.100 4.231 4.340 -0.016 0.000 0.226 278 R C 2.280 178.525 176.300 -0.091 0.000 1.114 278 R CA 1.034 57.086 56.100 -0.081 0.000 0.972 278 R CB -0.310 29.955 30.300 -0.058 0.000 0.869 278 R HN 0.373 nan 8.270 nan 0.000 0.437 279 H N -0.396 118.555 119.070 -0.198 0.000 2.387 279 H HA -0.092 4.454 4.556 -0.017 0.000 0.299 279 H C 2.238 177.444 175.328 -0.204 0.000 1.090 279 H CA 1.361 57.314 56.048 -0.159 0.000 1.332 279 H CB -0.362 29.333 29.762 -0.112 0.000 1.386 279 H HN 0.160 nan 8.280 nan 0.000 0.516 280 C N 0.465 119.628 119.300 -0.228 0.000 2.432 280 C HA -0.129 4.322 4.460 -0.016 0.000 0.277 280 C C 2.553 177.446 174.990 -0.162 0.000 1.249 280 C CA 1.066 59.916 59.018 -0.280 0.000 1.725 280 C CB -0.520 26.904 27.740 -0.526 0.000 2.028 280 C HN 0.651 nan 8.230 nan 0.000 0.477 281 E N 0.376 120.486 120.200 -0.150 0.000 2.110 281 E HA -0.154 4.187 4.350 -0.016 0.000 0.193 281 E C 2.189 178.737 176.600 -0.088 0.000 0.988 281 E CA 1.561 57.899 56.400 -0.103 0.000 0.804 281 E CB -0.116 29.528 29.700 -0.094 0.000 0.745 281 E HN 0.568 nan 8.360 nan 0.000 0.458 282 S N 0.335 115.974 115.700 -0.103 0.000 2.496 282 S HA 0.073 4.534 4.470 -0.016 0.000 0.224 282 S C 0.856 175.411 174.600 -0.076 0.000 0.996 282 S CA 0.047 58.189 58.200 -0.097 0.000 0.927 282 S CB 0.266 63.384 63.200 -0.136 0.000 0.774 282 S HN 0.171 nan 8.310 nan 0.000 0.524 283 L N 4.457 125.639 121.223 -0.067 0.000 2.395 283 L HA 0.177 4.508 4.340 -0.016 0.000 0.268 283 L C 0.273 177.123 176.870 -0.034 0.000 1.223 283 L CA -0.010 54.806 54.840 -0.040 0.000 1.093 283 L CB -0.119 41.927 42.059 -0.021 0.000 1.349 283 L HN 0.230 nan 8.230 nan 0.000 0.427 284 R N 2.952 123.432 120.500 -0.032 0.000 2.580 284 R HA 0.320 4.650 4.340 -0.016 0.000 0.267 284 R C -1.517 174.773 176.300 -0.016 0.000 1.125 284 R CA -1.646 54.439 56.100 -0.025 0.000 1.188 284 R CB -0.424 29.861 30.300 -0.026 0.000 1.155 284 R HN 0.219 nan 8.270 nan 0.000 0.586 285 P HA -0.257 nan 4.420 nan 0.000 0.211 285 P C 1.185 178.481 177.300 -0.007 0.000 0.948 285 P CA 1.886 64.981 63.100 -0.008 0.000 1.010 285 P CB -0.364 31.331 31.700 -0.008 0.000 0.737 286 G N -1.333 107.462 108.800 -0.009 0.000 2.882 286 G HA2 0.181 4.131 3.960 -0.016 0.000 0.206 286 G HA3 0.181 4.131 3.960 -0.016 0.000 0.206 286 G C 0.477 175.371 174.900 -0.011 0.000 1.155 286 G CA 0.364 45.458 45.100 -0.009 0.000 0.800 286 G HN 0.599 nan 8.290 nan 0.000 0.524 287 A N 0.148 122.961 122.820 -0.012 0.000 2.498 287 A HA 0.590 4.901 4.320 -0.016 0.000 0.239 287 A C 0.729 178.308 177.584 -0.008 0.000 1.068 287 A CA 0.443 52.472 52.037 -0.014 0.000 0.766 287 A CB 0.329 19.318 19.000 -0.020 0.000 1.003 287 A HN 0.937 nan 8.150 nan 0.000 0.497 288 A N 4.494 127.308 122.820 -0.010 0.000 2.274 288 A HA 0.651 4.962 4.320 -0.016 0.000 0.309 288 A C -1.992 175.594 177.584 0.003 0.000 1.226 288 A CA -1.548 50.485 52.037 -0.006 0.000 0.853 288 A CB -0.099 18.895 19.000 -0.011 0.000 1.146 288 A HN 0.736 nan 8.150 nan 0.000 0.518 289 P HA 0.224 nan 4.420 nan 0.000 0.271 289 P C -0.344 176.984 177.300 0.046 0.000 1.216 289 P CA -0.169 62.957 63.100 0.043 0.000 0.776 289 P CB 0.698 32.430 31.700 0.053 0.000 0.881 290 R N 0.293 120.839 120.500 0.076 0.000 2.642 290 R HA 0.452 4.783 4.340 -0.016 0.000 0.435 290 R C -0.662 175.728 176.300 0.150 0.000 1.046 290 R CA -0.532 55.616 56.100 0.079 0.000 1.103 290 R CB 0.358 30.686 30.300 0.048 0.000 1.425 290 R HN 0.225 nan 8.270 nan 0.000 0.586 291 D N -0.093 120.430 120.400 0.206 0.000 2.825 291 D HA 0.161 4.792 4.640 -0.016 0.000 0.327 291 D C -0.134 176.341 176.300 0.293 0.000 1.277 291 D CA -0.728 53.432 54.000 0.267 0.000 0.950 291 D CB 1.326 42.298 40.800 0.288 0.000 1.438 291 D HN 0.008 nan 8.370 nan 0.000 0.526 292 M N 0.215 119.866 119.600 0.085 0.000 2.534 292 M HA 0.066 4.536 4.480 -0.016 0.000 0.263 292 M C 1.620 177.932 176.300 0.020 0.000 1.152 292 M CA 0.621 55.764 55.300 -0.262 0.000 1.145 292 M CB 0.261 32.469 32.600 -0.654 0.000 1.333 292 M HN 0.348 nan 8.290 nan 0.000 0.477 293 M N 1.045 120.716 119.600 0.118 0.000 2.062 293 M HA -0.177 4.294 4.480 -0.016 0.000 0.259 293 M C 1.302 177.718 176.300 0.193 0.000 1.076 293 M CA 2.122 57.510 55.300 0.146 0.000 1.122 293 M CB -0.633 31.850 32.600 -0.195 0.000 1.312 293 M HN 0.145 nan 8.290 nan 0.000 0.412 294 D N 0.196 120.735 120.400 0.232 0.000 2.158 294 D HA -0.154 4.477 4.640 -0.016 0.000 0.197 294 D C 1.929 178.310 176.300 0.135 0.000 0.995 294 D CA 1.852 55.972 54.000 0.200 0.000 0.846 294 D CB -0.397 40.517 40.800 0.191 0.000 0.941 294 D HN 0.526 nan 8.370 nan 0.000 0.456 295 A N -0.092 122.790 122.820 0.103 0.000 1.902 295 A HA -0.154 4.156 4.320 -0.016 0.000 0.217 295 A C 2.046 179.628 177.584 -0.004 0.000 1.181 295 A CA 0.935 52.983 52.037 0.018 0.000 0.623 295 A CB -0.794 18.191 19.000 -0.025 0.000 0.818 295 A HN 0.129 nan 8.150 nan 0.000 0.443 296 F N 0.007 119.991 119.950 0.056 0.000 2.163 296 F HA -0.014 4.507 4.527 -0.010 0.000 0.297 296 F C 2.183 178.032 175.800 0.081 0.000 1.094 296 F CA 0.720 58.751 58.000 0.053 0.000 1.290 296 F CB -0.376 38.651 39.000 0.045 0.000 1.017 296 F HN 0.115 nan 8.300 nan 0.000 0.483 297 I N -0.721 120.027 120.570 0.296 0.000 2.179 297 I HA -0.321 3.839 4.170 -0.016 0.000 0.242 297 I C 2.545 178.744 176.117 0.137 0.000 1.088 297 I CA 1.185 62.610 61.300 0.209 0.000 1.357 297 I CB -0.584 37.495 38.000 0.131 0.000 1.051 297 I HN 0.118 nan 8.210 nan 0.000 0.409 298 L N 0.280 121.567 121.223 0.107 0.000 1.990 298 L HA -0.307 4.023 4.340 -0.016 0.000 0.213 298 L C 2.878 179.791 176.870 0.072 0.000 1.072 298 L CA 2.051 56.932 54.840 0.069 0.000 0.755 298 L CB -0.355 41.734 42.059 0.050 0.000 0.889 298 L HN 0.317 nan 8.230 nan 0.000 0.432 299 S N -0.581 115.171 115.700 0.086 0.000 2.374 299 S HA -0.253 4.208 4.470 -0.016 0.000 0.227 299 S C 2.013 176.669 174.600 0.094 0.000 1.037 299 S CA 1.521 59.772 58.200 0.084 0.000 1.024 299 S CB -0.218 63.045 63.200 0.106 0.000 0.861 299 S HN 0.536 nan 8.310 nan 0.000 0.456 300 A N 0.765 123.659 122.820 0.123 0.000 1.969 300 A HA -0.005 4.305 4.320 -0.016 0.000 0.218 300 A C 2.042 179.675 177.584 0.081 0.000 1.169 300 A CA 1.421 53.523 52.037 0.108 0.000 0.635 300 A CB -0.550 18.530 19.000 0.133 0.000 0.810 300 A HN 0.747 nan 8.150 nan 0.000 0.445 301 E N -0.486 119.760 120.200 0.076 0.000 2.112 301 E HA -0.130 4.210 4.350 -0.016 0.000 0.190 301 E C 1.797 178.423 176.600 0.043 0.000 0.979 301 E CA 0.911 57.344 56.400 0.055 0.000 0.814 301 E CB -0.088 29.639 29.700 0.045 0.000 0.762 301 E HN 0.240 nan 8.360 nan 0.000 0.460 302 K N 1.373 121.799 120.400 0.043 0.000 2.209 302 K HA -0.114 4.197 4.320 -0.016 0.000 0.204 302 K C 1.818 178.439 176.600 0.034 0.000 1.048 302 K CA 0.946 57.253 56.287 0.034 0.000 0.940 302 K CB -0.104 32.415 32.500 0.031 0.000 0.729 302 K HN -0.007 nan 8.250 nan 0.000 0.451 303 K N -0.065 120.361 120.400 0.043 0.000 2.044 303 K HA 0.007 4.318 4.320 -0.016 0.000 0.204 303 K C 1.932 178.553 176.600 0.036 0.000 1.049 303 K CA 1.140 57.451 56.287 0.040 0.000 0.945 303 K CB -0.101 32.428 32.500 0.048 0.000 0.724 303 K HN 0.050 nan 8.250 nan 0.000 0.440 304 A N 1.001 123.845 122.820 0.039 0.000 1.969 304 A HA 0.060 4.370 4.320 -0.016 0.000 0.218 304 A C 1.540 179.141 177.584 0.028 0.000 1.169 304 A CA 1.298 53.356 52.037 0.035 0.000 0.635 304 A CB -0.447 18.577 19.000 0.039 0.000 0.810 304 A HN 0.399 nan 8.150 nan 0.000 0.445 305 A N -0.102 122.734 122.820 0.027 0.000 3.063 305 A HA 0.506 4.817 4.320 -0.016 0.000 0.263 305 A C 1.403 178.998 177.584 0.019 0.000 1.736 305 A CA 0.695 52.745 52.037 0.022 0.000 1.408 305 A CB -1.663 17.349 19.000 0.020 0.000 1.108 305 A HN 1.993 nan 8.150 nan 0.000 0.621 306 G N 1.053 109.864 108.800 0.019 0.000 2.536 306 G HA2 -0.233 3.717 3.960 -0.016 0.000 0.280 306 G HA3 -0.233 3.717 3.960 -0.016 0.000 0.280 306 G C -0.311 174.599 174.900 0.017 0.000 1.152 306 G CA 0.417 45.527 45.100 0.016 0.000 0.970 306 G HN 0.658 nan 8.290 nan 0.000 0.549 313 A N 0.475 123.305 122.820 0.016 0.000 2.302 313 A HA 0.805 5.115 4.320 -0.016 0.000 0.295 313 A C 0.211 177.816 177.584 0.035 0.000 1.235 313 A CA 0.141 52.188 52.037 0.018 0.000 0.876 313 A CB 0.028 19.033 19.000 0.007 0.000 1.133 313 A HN 0.564 nan 8.150 nan 0.000 0.533 314 R N 1.632 122.158 120.500 0.043 0.000 2.795 314 R HA 0.622 4.953 4.340 -0.016 0.000 0.275 314 R C -0.817 175.523 176.300 0.066 0.000 0.981 314 R CA -0.727 55.416 56.100 0.072 0.000 0.917 314 R CB 1.602 31.942 30.300 0.068 0.000 1.202 314 R HN 0.667 nan 8.270 nan 0.000 0.469 315 L N 0.951 122.229 121.223 0.093 0.000 2.466 315 L HA 0.252 4.583 4.340 -0.016 0.000 0.257 315 L C -0.006 176.890 176.870 0.043 0.000 1.189 315 L CA -0.220 54.644 54.840 0.040 0.000 0.813 315 L CB 0.525 42.578 42.059 -0.010 0.000 1.118 315 L HN 0.435 nan 8.230 nan 0.000 0.471 316 D N 0.618 121.027 120.400 0.015 0.000 2.193 316 D HA 0.167 4.798 4.640 -0.016 0.000 0.249 316 D C 1.089 177.400 176.300 0.018 0.000 1.034 316 D CA -0.441 53.573 54.000 0.024 0.000 0.902 316 D CB 2.211 43.019 40.800 0.013 0.000 1.182 316 D HN 0.430 nan 8.370 nan 0.000 0.436 317 L N 1.411 122.667 121.223 0.055 0.000 2.089 317 L HA -0.249 4.081 4.340 -0.016 0.000 0.213 317 L C 2.264 179.131 176.870 -0.004 0.000 1.079 317 L CA 1.648 56.544 54.840 0.094 0.000 0.758 317 L CB -0.253 41.899 42.059 0.156 0.000 0.891 317 L HN 0.571 nan 8.230 nan 0.000 0.433 318 E N -1.053 119.130 120.200 -0.028 0.000 2.333 318 E HA -0.196 4.144 4.350 -0.016 0.000 0.198 318 E C 1.188 177.701 176.600 -0.145 0.000 1.007 318 E CA 1.062 57.411 56.400 -0.085 0.000 0.845 318 E CB -0.201 29.471 29.700 -0.048 0.000 0.766 318 E HN 0.559 nan 8.360 nan 0.000 0.507 319 N N 0.528 119.147 118.700 -0.134 0.000 2.254 319 N HA 0.038 4.769 4.740 -0.016 0.000 0.190 319 N C 1.653 177.021 175.510 -0.238 0.000 1.107 319 N CA 0.225 53.181 53.050 -0.157 0.000 0.869 319 N CB 0.791 39.210 38.487 -0.113 0.000 0.983 319 N HN 0.044 nan 8.380 nan 0.000 0.487 320 V N 2.425 122.179 119.914 -0.266 0.000 2.295 320 V HA -0.138 3.972 4.120 -0.016 0.000 0.246 320 V C -0.608 175.257 176.094 -0.381 0.000 1.049 320 V CA 1.879 63.983 62.300 -0.327 0.000 1.024 320 V CB -1.261 30.506 31.823 -0.093 0.000 0.648 320 V HN 0.158 nan 8.190 nan 0.000 0.447 321 P HA -0.145 nan 4.420 nan 0.000 0.215 321 P C 1.705 178.879 177.300 -0.209 0.000 1.153 321 P CA 2.003 64.843 63.100 -0.434 0.000 0.853 321 P CB -0.167 31.152 31.700 -0.635 0.000 0.788 322 A N -0.646 122.057 122.820 -0.195 0.000 1.902 322 A HA -0.216 4.095 4.320 -0.016 0.000 0.217 322 A C 2.393 179.932 177.584 -0.075 0.000 1.181 322 A CA 2.583 54.565 52.037 -0.090 0.000 0.623 322 A CB -1.986 16.970 19.000 -0.073 0.000 0.818 322 A HN 0.319 nan 8.150 nan 0.000 0.443 323 T N -2.053 112.399 114.554 -0.171 0.000 2.985 323 T HA -0.034 4.307 4.350 -0.016 0.000 0.266 323 T C 1.661 176.278 174.700 -0.139 0.000 1.076 323 T CA 1.305 63.294 62.100 -0.184 0.000 1.135 323 T CB -0.327 68.350 68.868 -0.318 0.000 0.890 323 T HN 0.231 nan 8.240 nan 0.000 0.480 324 I N 1.578 122.066 120.570 -0.137 0.000 2.676 324 I HA 0.031 4.192 4.170 -0.016 0.000 0.259 324 I C 2.219 178.464 176.117 0.215 0.000 1.194 324 I CA 1.072 62.403 61.300 0.050 0.000 1.473 324 I CB -0.313 37.754 38.000 0.110 0.000 1.096 324 I HN 0.234 nan 8.210 nan 0.000 0.443 325 T N 0.137 114.797 114.554 0.176 0.000 2.770 325 T HA -0.114 4.227 4.350 -0.016 0.000 0.263 325 T C 1.521 176.375 174.700 0.255 0.000 1.039 325 T CA 1.553 63.836 62.100 0.304 0.000 1.142 325 T CB -0.276 68.728 68.868 0.227 0.000 0.868 325 T HN 0.310 nan 8.240 nan 0.000 0.435 326 D N 1.055 121.541 120.400 0.144 0.000 2.097 326 D HA -0.001 4.630 4.640 -0.016 0.000 0.195 326 D C 2.085 178.449 176.300 0.107 0.000 0.989 326 D CA 0.722 54.786 54.000 0.106 0.000 0.827 326 D CB -0.388 40.457 40.800 0.076 0.000 0.966 326 D HN 0.325 nan 8.370 nan 0.000 0.456 327 I N 0.058 120.710 120.570 0.137 0.000 2.127 327 I HA -0.275 3.886 4.170 -0.016 0.000 0.241 327 I C 2.231 178.483 176.117 0.225 0.000 1.075 327 I CA 0.884 62.281 61.300 0.161 0.000 1.334 327 I CB -0.192 37.913 38.000 0.176 0.000 1.040 327 I HN -0.067 nan 8.210 nan 0.000 0.405 328 F N 1.563 121.611 119.950 0.162 0.000 2.186 328 F HA -0.049 4.468 4.527 -0.017 0.000 0.299 328 F C 2.183 178.125 175.800 0.236 0.000 1.090 328 F CA 1.410 59.541 58.000 0.218 0.000 1.307 328 F CB -0.755 38.466 39.000 0.369 0.000 1.019 328 F HN -0.043 nan 8.300 nan 0.000 0.489 329 G N -0.197 108.672 108.800 0.115 0.000 2.404 329 G HA2 -0.138 3.813 3.960 -0.016 0.000 0.215 329 G HA3 -0.138 3.813 3.960 -0.016 0.000 0.215 329 G C 1.828 176.563 174.900 -0.276 0.000 1.174 329 G CA 0.793 45.775 45.100 -0.197 0.000 0.780 329 G HN 0.589 nan 8.290 nan 0.000 0.537 330 A N 1.584 124.321 122.820 -0.138 0.000 1.828 330 A HA -0.060 4.251 4.320 -0.016 0.000 0.215 330 A C 2.794 180.342 177.584 -0.060 0.000 1.203 330 A CA 3.054 55.038 52.037 -0.087 0.000 0.614 330 A CB -1.196 17.799 19.000 -0.009 0.000 0.844 330 A HN 0.831 nan 8.150 nan 0.000 0.445 331 S N -0.014 115.677 115.700 -0.015 0.000 2.378 331 S HA -0.381 4.079 4.470 -0.016 0.000 0.229 331 S C 2.048 176.615 174.600 -0.055 0.000 1.052 331 S CA 1.962 60.169 58.200 0.012 0.000 1.084 331 S CB -0.831 62.406 63.200 0.062 0.000 0.950 331 S HN 0.677 nan 8.310 nan 0.000 0.440 332 Q N 1.731 121.423 119.800 -0.180 0.000 2.234 332 Q HA -0.231 4.100 4.340 -0.016 0.000 0.206 332 Q C 1.652 177.546 176.000 -0.177 0.000 0.980 332 Q CA 2.339 58.002 55.803 -0.233 0.000 0.869 332 Q CB -0.569 27.859 28.738 -0.517 0.000 0.912 332 Q HN 0.704 nan 8.270 nan 0.000 0.436 333 D N -0.311 119.990 120.400 -0.165 0.000 2.154 333 D HA -0.093 4.537 4.640 -0.016 0.000 0.211 333 D C 1.932 178.204 176.300 -0.048 0.000 0.977 333 D CA 2.800 56.729 54.000 -0.119 0.000 0.869 333 D CB -0.309 40.402 40.800 -0.149 0.000 1.022 333 D HN 0.390 nan 8.370 nan 0.000 0.461 334 T N -0.379 114.184 114.554 0.016 0.000 2.635 334 T HA -0.176 4.165 4.350 -0.016 0.000 0.267 334 T C 2.326 177.036 174.700 0.016 0.000 1.040 334 T CA 1.272 63.450 62.100 0.130 0.000 1.156 334 T CB -0.933 68.061 68.868 0.210 0.000 0.863 334 T HN 0.169 nan 8.240 nan 0.000 0.430 335 L N 0.751 121.978 121.223 0.008 0.000 2.191 335 L HA -0.068 4.263 4.340 -0.016 0.000 0.212 335 L C 3.169 179.956 176.870 -0.137 0.000 1.103 335 L CA 1.249 56.070 54.840 -0.031 0.000 0.769 335 L CB -0.731 41.343 42.059 0.025 0.000 0.908 335 L HN 0.390 nan 8.230 nan 0.000 0.438 336 S N -0.713 114.904 115.700 -0.138 0.000 2.345 336 S HA -0.156 4.304 4.470 -0.016 0.000 0.219 336 S C 1.994 176.484 174.600 -0.182 0.000 1.031 336 S CA 1.865 59.967 58.200 -0.164 0.000 0.984 336 S CB -0.050 63.069 63.200 -0.135 0.000 0.874 336 S HN 0.404 nan 8.310 nan 0.000 0.451 337 T N 2.308 116.749 114.554 -0.189 0.000 2.684 337 T HA -0.075 4.265 4.350 -0.016 0.000 0.267 337 T C 2.016 176.488 174.700 -0.379 0.000 1.036 337 T CA 1.383 63.360 62.100 -0.206 0.000 1.148 337 T CB -0.717 68.052 68.868 -0.165 0.000 0.863 337 T HN 0.481 nan 8.240 nan 0.000 0.436 338 A N 1.335 123.675 122.820 -0.800 0.000 1.865 338 A HA -0.082 4.228 4.320 -0.016 0.000 0.217 338 A C 2.258 179.664 177.584 -0.298 0.000 1.191 338 A CA 1.519 53.039 52.037 -0.862 0.000 0.623 338 A CB -0.995 17.642 19.000 -0.604 0.000 0.826 338 A HN 0.386 nan 8.150 nan 0.000 0.444 339 L N -0.201 120.882 121.223 -0.234 0.000 2.042 339 L HA -0.226 4.105 4.340 -0.016 0.000 0.210 339 L C 2.566 179.354 176.870 -0.136 0.000 1.076 339 L CA 2.381 57.111 54.840 -0.184 0.000 0.749 339 L CB -0.771 41.132 42.059 -0.260 0.000 0.893 339 L HN 0.526 nan 8.230 nan 0.000 0.432 340 Q N -2.228 117.507 119.800 -0.108 0.000 2.170 340 Q HA -0.248 4.082 4.340 -0.016 0.000 0.203 340 Q C 2.014 177.982 176.000 -0.052 0.000 0.976 340 Q CA 2.155 57.929 55.803 -0.048 0.000 0.858 340 Q CB -0.299 28.412 28.738 -0.044 0.000 0.907 340 Q HN 0.585 nan 8.270 nan 0.000 0.433 341 W N 0.383 121.573 121.300 -0.184 0.000 2.418 341 W HA -0.049 4.602 4.660 -0.016 0.000 0.292 341 W C 1.772 178.197 176.519 -0.157 0.000 1.213 341 W CA 0.566 57.815 57.345 -0.160 0.000 1.283 341 W CB -0.212 29.141 29.460 -0.179 0.000 1.119 341 W HN 0.088 nan 8.180 nan 0.000 0.542 342 L N -0.193 121.054 121.223 0.041 0.000 1.990 342 L HA -0.290 4.041 4.340 -0.016 0.000 0.213 342 L C 2.248 178.990 176.870 -0.213 0.000 1.072 342 L CA 1.428 56.231 54.840 -0.062 0.000 0.755 342 L CB -1.259 40.718 42.059 -0.137 0.000 0.889 342 L HN 0.039 nan 8.230 nan 0.000 0.432 343 L N -0.896 120.179 121.223 -0.246 0.000 2.093 343 L HA -0.221 4.109 4.340 -0.016 0.000 0.208 343 L C 2.591 179.464 176.870 0.005 0.000 1.085 343 L CA 0.606 55.286 54.840 -0.266 0.000 0.755 343 L CB -0.541 41.340 42.059 -0.296 0.000 0.904 343 L HN 0.247 nan 8.230 nan 0.000 0.435 344 L N -0.151 121.057 121.223 -0.025 0.000 1.989 344 L HA -0.240 4.091 4.340 -0.016 0.000 0.211 344 L C 2.379 179.261 176.870 0.020 0.000 1.071 344 L CA 1.843 56.569 54.840 -0.191 0.000 0.749 344 L CB -0.514 41.216 42.059 -0.548 0.000 0.890 344 L HN 0.049 nan 8.230 nan 0.000 0.431 345 L N -1.156 120.139 121.223 0.121 0.000 2.042 345 L HA -0.207 4.123 4.340 -0.016 0.000 0.210 345 L C 2.502 179.677 176.870 0.508 0.000 1.076 345 L CA 1.603 56.593 54.840 0.251 0.000 0.749 345 L CB -1.549 40.505 42.059 -0.009 0.000 0.893 345 L HN 0.225 nan 8.230 nan 0.000 0.432 346 F N 0.648 120.756 119.950 0.263 0.000 2.126 346 F HA -0.235 4.283 4.527 -0.016 0.000 0.299 346 F C 2.750 178.674 175.800 0.208 0.000 1.096 346 F CA 1.728 59.858 58.000 0.217 0.000 1.255 346 F CB -1.429 37.618 39.000 0.079 0.000 0.997 346 F HN 0.307 nan 8.300 nan 0.000 0.479 347 T N -2.693 112.077 114.554 0.359 0.000 3.023 347 T HA -0.076 4.264 4.350 -0.016 0.000 0.266 347 T C 1.940 176.719 174.700 0.132 0.000 1.093 347 T CA 0.716 62.967 62.100 0.252 0.000 1.129 347 T CB -0.110 68.915 68.868 0.262 0.000 0.899 347 T HN -0.042 nan 8.240 nan 0.000 0.491 348 R N -0.167 120.379 120.500 0.076 0.000 2.300 348 R HA 0.330 4.660 4.340 -0.016 0.000 0.199 348 R C -0.544 175.483 176.300 -0.454 0.000 0.920 348 R CA 0.209 56.199 56.100 -0.184 0.000 1.046 348 R CB -0.050 30.099 30.300 -0.251 0.000 0.984 348 R HN 0.551 nan 8.270 nan 0.000 0.493 349 Y N -1.343 119.062 120.300 0.176 0.000 2.535 349 Y HA 0.311 4.852 4.550 -0.015 0.000 0.351 349 Y C -1.907 174.114 175.900 0.203 0.000 1.050 349 Y CA -2.474 55.757 58.100 0.218 0.000 1.168 349 Y CB 1.615 40.274 38.460 0.332 0.000 1.116 349 Y HN -0.026 nan 8.280 nan 0.000 0.654 350 P HA -0.217 nan 4.420 nan 0.000 0.217 350 P C 1.418 178.786 177.300 0.112 0.000 1.148 350 P CA 1.676 64.852 63.100 0.127 0.000 0.828 350 P CB 0.531 32.282 31.700 0.086 0.000 0.783 351 D N -0.879 119.621 120.400 0.166 0.000 2.123 351 D HA -0.110 4.521 4.640 -0.016 0.000 0.200 351 D C 1.954 178.355 176.300 0.168 0.000 0.976 351 D CA 1.268 55.350 54.000 0.137 0.000 0.831 351 D CB -0.238 40.652 40.800 0.149 0.000 0.974 351 D HN 0.016 nan 8.370 nan 0.000 0.469 352 V N 0.215 120.313 119.914 0.308 0.000 2.343 352 V HA -0.240 3.871 4.120 -0.016 0.000 0.247 352 V C 2.367 178.584 176.094 0.205 0.000 1.051 352 V CA 2.236 64.782 62.300 0.410 0.000 1.036 352 V CB -0.867 31.341 31.823 0.642 0.000 0.654 352 V HN 0.151 nan 8.190 nan 0.000 0.451 353 Q N 0.280 120.091 119.800 0.018 0.000 2.112 353 Q HA -0.234 4.097 4.340 -0.016 0.000 0.206 353 Q C 2.239 178.048 176.000 -0.319 0.000 0.987 353 Q CA 2.980 58.484 55.803 -0.498 0.000 0.858 353 Q CB -0.430 28.033 28.738 -0.458 0.000 0.905 353 Q HN 0.746 nan 8.270 nan 0.000 0.420 354 T N 0.347 114.828 114.554 -0.122 0.000 2.777 354 T HA -0.082 4.258 4.350 -0.016 0.000 0.266 354 T C 1.690 176.343 174.700 -0.078 0.000 1.040 354 T CA 1.316 63.362 62.100 -0.090 0.000 1.141 354 T CB -0.121 68.718 68.868 -0.048 0.000 0.868 354 T HN 0.334 nan 8.240 nan 0.000 0.444 355 R N 0.666 121.126 120.500 -0.067 0.000 2.070 355 R HA -0.058 4.273 4.340 -0.016 0.000 0.232 355 R C 2.764 179.009 176.300 -0.091 0.000 1.138 355 R CA 1.545 57.528 56.100 -0.196 0.000 0.936 355 R CB -1.044 28.965 30.300 -0.485 0.000 0.839 355 R HN 0.382 nan 8.270 nan 0.000 0.429 356 V N 0.146 120.176 119.914 0.194 0.000 2.392 356 V HA -0.278 3.833 4.120 -0.016 0.000 0.249 356 V C 1.973 178.121 176.094 0.089 0.000 1.059 356 V CA 2.074 64.557 62.300 0.304 0.000 1.051 356 V CB -0.462 31.492 31.823 0.218 0.000 0.658 356 V HN 0.377 nan 8.190 nan 0.000 0.455 357 Q N -0.475 119.311 119.800 -0.024 0.000 2.297 357 Q HA 0.015 4.345 4.340 -0.016 0.000 0.204 357 Q C 2.129 178.126 176.000 -0.005 0.000 0.962 357 Q CA 1.333 57.116 55.803 -0.034 0.000 0.879 357 Q CB -0.179 28.487 28.738 -0.119 0.000 0.947 357 Q HN 0.841 nan 8.270 nan 0.000 0.462 358 A N 0.558 123.367 122.820 -0.018 0.000 1.878 358 A HA -0.137 4.174 4.320 -0.016 0.000 0.213 358 A C 1.842 179.433 177.584 0.011 0.000 1.192 358 A CA 1.046 53.072 52.037 -0.018 0.000 0.619 358 A CB -0.508 18.460 19.000 -0.054 0.000 0.837 358 A HN 0.480 nan 8.150 nan 0.000 0.446 359 E N -0.483 119.730 120.200 0.020 0.000 2.160 359 E HA -0.210 4.130 4.350 -0.016 0.000 0.195 359 E C 1.752 178.401 176.600 0.083 0.000 0.991 359 E CA 1.156 57.590 56.400 0.057 0.000 0.810 359 E CB -0.123 29.643 29.700 0.110 0.000 0.742 359 E HN 0.363 nan 8.360 nan 0.000 0.466 360 L N 1.406 122.684 121.223 0.092 0.000 2.093 360 L HA -0.144 4.187 4.340 -0.016 0.000 0.208 360 L C 1.527 178.468 176.870 0.118 0.000 1.085 360 L CA 1.771 56.674 54.840 0.105 0.000 0.755 360 L CB -0.351 41.785 42.059 0.128 0.000 0.904 360 L HN 0.079 nan 8.230 nan 0.000 0.435 361 D N -1.616 118.847 120.400 0.105 0.000 2.149 361 D HA -0.196 4.435 4.640 -0.016 0.000 0.201 361 D C 2.064 178.404 176.300 0.066 0.000 0.972 361 D CA 0.918 54.976 54.000 0.096 0.000 0.835 361 D CB -0.036 40.794 40.800 0.050 0.000 0.966 361 D HN 0.438 nan 8.370 nan 0.000 0.476 362 Q N 0.444 120.274 119.800 0.050 0.000 2.083 362 Q HA -0.091 4.240 4.340 -0.016 0.000 0.198 362 Q C 1.755 177.782 176.000 0.045 0.000 0.969 362 Q CA 1.117 56.943 55.803 0.039 0.000 0.838 362 Q CB 0.243 28.998 28.738 0.030 0.000 0.900 362 Q HN 0.110 nan 8.270 nan 0.000 0.436 363 V N 0.398 120.345 119.914 0.055 0.000 2.300 363 V HA -0.125 3.986 4.120 -0.016 0.000 0.241 363 V C 2.248 178.369 176.094 0.045 0.000 1.034 363 V CA 1.367 63.700 62.300 0.055 0.000 1.021 363 V CB 0.056 31.923 31.823 0.073 0.000 0.662 363 V HN 0.527 nan 8.190 nan 0.000 0.458 364 V N -0.251 119.686 119.914 0.038 0.000 3.129 364 V HA 0.472 4.583 4.120 -0.016 0.000 0.259 364 V C 0.981 177.089 176.094 0.023 0.000 1.116 364 V CA 0.736 63.039 62.300 0.006 0.000 1.127 364 V CB -0.835 30.945 31.823 -0.072 0.000 0.742 364 V HN 0.982 nan 8.190 nan 0.000 0.474 365 G N 0.782 109.618 108.800 0.059 0.000 2.757 365 G HA2 -0.286 3.665 3.960 -0.016 0.000 0.686 365 G HA3 -0.286 3.665 3.960 -0.016 0.000 0.686 365 G C -0.035 174.951 174.900 0.142 0.000 1.452 365 G CA 0.200 45.346 45.100 0.076 0.000 0.922 365 G HN 0.783 nan 8.290 nan 0.000 0.588 366 R N 0.414 120.988 120.500 0.124 0.000 2.339 366 R HA 0.097 4.427 4.340 -0.016 0.000 0.199 366 R C 1.706 178.079 176.300 0.122 0.000 1.018 366 R CA 1.790 57.971 56.100 0.135 0.000 1.036 366 R CB -0.372 29.953 30.300 0.042 0.000 0.899 366 R HN 0.589 nan 8.270 nan 0.000 0.473 367 D N -0.268 120.188 120.400 0.094 0.000 2.224 367 D HA -0.039 4.592 4.640 -0.016 0.000 0.205 367 D C 0.397 176.736 176.300 0.066 0.000 0.965 367 D CA 1.081 55.119 54.000 0.063 0.000 0.852 367 D CB 0.254 41.078 40.800 0.040 0.000 0.947 367 D HN 0.387 nan 8.370 nan 0.000 0.494 368 R N -0.593 119.953 120.500 0.078 0.000 2.844 368 R HA 0.452 4.783 4.340 -0.016 0.000 0.264 368 R C -1.176 175.131 176.300 0.012 0.000 1.077 368 R CA -0.953 55.175 56.100 0.048 0.000 0.953 368 R CB 0.684 30.988 30.300 0.007 0.000 1.272 368 R HN -0.018 nan 8.270 nan 0.000 0.447 369 L N -1.363 119.833 121.223 -0.046 0.000 2.325 369 L HA 0.710 5.040 4.340 -0.016 0.000 0.278 369 L C -2.533 174.196 176.870 -0.235 0.000 1.023 369 L CA -2.576 52.131 54.840 -0.222 0.000 0.811 369 L CB 1.236 43.297 42.059 0.003 0.000 1.249 369 L HN 0.341 nan 8.230 nan 0.000 0.431 370 P HA 0.007 nan 4.420 nan 0.000 0.266 370 P C -0.566 176.713 177.300 -0.035 0.000 1.186 370 P CA -0.089 62.921 63.100 -0.151 0.000 0.767 370 P CB 0.392 31.998 31.700 -0.157 0.000 0.820 371 C N 2.130 121.453 119.300 0.039 0.000 3.171 371 C HA 0.433 4.884 4.460 -0.016 0.000 0.308 371 C C 1.544 176.613 174.990 0.132 0.000 1.334 371 C CA -0.862 58.193 59.018 0.061 0.000 1.473 371 C CB 0.758 28.509 27.740 0.018 0.000 1.866 371 C HN 0.435 nan 8.230 nan 0.000 0.465 372 M N 1.682 121.340 119.600 0.096 0.000 2.426 372 M HA -0.021 4.450 4.480 -0.016 0.000 0.261 372 M C 1.933 178.224 176.300 -0.015 0.000 1.068 372 M CA 1.876 57.199 55.300 0.038 0.000 1.066 372 M CB -1.541 31.050 32.600 -0.014 0.000 1.399 372 M HN 1.119 nan 8.290 nan 0.000 0.449 373 G N 0.460 109.268 108.800 0.013 0.000 2.422 373 G HA2 -0.178 3.772 3.960 -0.016 0.000 0.218 373 G HA3 -0.178 3.772 3.960 -0.016 0.000 0.218 373 G C 1.068 175.976 174.900 0.015 0.000 1.140 373 G CA 0.566 45.666 45.100 0.001 0.000 0.775 373 G HN 0.461 nan 8.290 nan 0.000 0.545 374 D N 0.071 120.510 120.400 0.064 0.000 2.347 374 D HA -0.077 4.554 4.640 -0.016 0.000 0.215 374 D C 2.186 178.565 176.300 0.133 0.000 0.976 374 D CA 0.434 54.498 54.000 0.105 0.000 0.884 374 D CB -0.089 40.797 40.800 0.142 0.000 0.915 374 D HN 0.470 nan 8.370 nan 0.000 0.526 375 Q N 1.079 120.882 119.800 0.005 0.000 2.096 375 Q HA -0.157 4.174 4.340 -0.016 0.000 0.208 375 Q C -0.768 175.196 176.000 -0.060 0.000 0.993 375 Q CA 1.801 57.459 55.803 -0.242 0.000 0.862 375 Q CB -0.488 27.805 28.738 -0.741 0.000 0.915 375 Q HN 0.232 nan 8.270 nan 0.000 0.416 376 P HA -0.056 nan 4.420 nan 0.000 0.229 376 P C -0.188 177.143 177.300 0.051 0.000 1.160 376 P CA 0.924 64.025 63.100 0.003 0.000 0.777 376 P CB 0.007 31.700 31.700 -0.011 0.000 0.814 377 N N 0.032 118.776 118.700 0.074 0.000 2.295 377 N HA 0.162 4.893 4.740 -0.016 0.000 0.221 377 N C 0.336 175.926 175.510 0.134 0.000 1.129 377 N CA 0.168 53.272 53.050 0.089 0.000 0.836 377 N CB 0.355 38.886 38.487 0.074 0.000 1.040 377 N HN 0.280 nan 8.380 nan 0.000 0.494 378 L N 0.426 121.757 121.223 0.180 0.000 2.913 378 L HA 0.309 4.640 4.340 -0.016 0.000 0.283 378 L C -1.735 175.295 176.870 0.266 0.000 1.336 378 L CA -1.225 53.765 54.840 0.250 0.000 0.815 378 L CB 1.647 43.927 42.059 0.368 0.000 1.188 378 L HN -0.240 nan 8.230 nan 0.000 0.551 379 P HA -0.255 nan 4.420 nan 0.000 0.216 379 P C 1.262 178.717 177.300 0.259 0.000 1.154 379 P CA 1.485 64.709 63.100 0.206 0.000 0.865 379 P CB 0.156 31.959 31.700 0.172 0.000 0.789 380 Y N -0.118 120.283 120.300 0.168 0.000 2.220 380 Y HA -0.155 4.385 4.550 -0.016 0.000 0.291 380 Y C 2.121 178.170 175.900 0.249 0.000 1.129 380 Y CA 1.065 59.276 58.100 0.184 0.000 1.161 380 Y CB -0.870 37.673 38.460 0.139 0.000 0.997 380 Y HN -0.285 nan 8.280 nan 0.000 0.522 381 V N 0.247 120.329 119.914 0.280 0.000 2.295 381 V HA -0.340 3.770 4.120 -0.016 0.000 0.246 381 V C 2.439 178.713 176.094 0.300 0.000 1.049 381 V CA 2.056 64.504 62.300 0.246 0.000 1.024 381 V CB -0.874 31.077 31.823 0.214 0.000 0.648 381 V HN 0.398 nan 8.190 nan 0.000 0.447 382 L N -0.055 121.376 121.223 0.346 0.000 2.083 382 L HA -0.156 4.175 4.340 -0.016 0.000 0.209 382 L C 2.709 179.749 176.870 0.283 0.000 1.083 382 L CA 1.452 56.508 54.840 0.361 0.000 0.752 382 L CB -0.723 41.524 42.059 0.312 0.000 0.899 382 L HN 0.382 nan 8.230 nan 0.000 0.433 383 A N -0.110 122.801 122.820 0.151 0.000 1.898 383 A HA -0.269 4.042 4.320 -0.016 0.000 0.216 383 A C 2.154 179.735 177.584 -0.005 0.000 1.181 383 A CA 1.445 53.522 52.037 0.068 0.000 0.620 383 A CB -0.809 18.223 19.000 0.054 0.000 0.819 383 A HN 0.432 nan 8.150 nan 0.000 0.442 384 F N 0.226 120.045 119.950 -0.219 0.000 2.171 384 F HA -0.142 4.375 4.527 -0.017 0.000 0.300 384 F C 1.855 177.658 175.800 0.006 0.000 1.090 384 F CA 1.332 59.254 58.000 -0.131 0.000 1.293 384 F CB -0.078 38.891 39.000 -0.052 0.000 1.013 384 F HN 0.159 nan 8.300 nan 0.000 0.486 385 L N -0.116 121.136 121.223 0.048 0.000 1.989 385 L HA -0.274 4.057 4.340 -0.016 0.000 0.211 385 L C 2.237 178.871 176.870 -0.392 0.000 1.071 385 L CA 2.225 56.980 54.840 -0.141 0.000 0.749 385 L CB -1.333 40.697 42.059 -0.049 0.000 0.890 385 L HN 0.237 nan 8.230 nan 0.000 0.431 386 Y N -0.281 119.804 120.300 -0.358 0.000 2.457 386 Y HA -0.169 4.370 4.550 -0.017 0.000 0.292 386 Y C 2.540 178.142 175.900 -0.497 0.000 1.125 386 Y CA 0.918 58.665 58.100 -0.589 0.000 1.254 386 Y CB -0.076 37.705 38.460 -1.133 0.000 1.012 386 Y HN 0.271 nan 8.280 nan 0.000 0.555 387 E N 0.763 120.862 120.200 -0.168 0.000 2.072 387 E HA -0.117 4.224 4.350 -0.016 0.000 0.190 387 E C 2.264 178.924 176.600 0.099 0.000 0.982 387 E CA 1.260 57.691 56.400 0.053 0.000 0.803 387 E CB -0.378 29.165 29.700 -0.261 0.000 0.755 387 E HN 0.260 nan 8.360 nan 0.000 0.453 388 A N 0.083 122.912 122.820 0.014 0.000 1.972 388 A HA -0.140 4.171 4.320 -0.016 0.000 0.219 388 A C 2.254 179.774 177.584 -0.106 0.000 1.169 388 A CA 1.722 53.755 52.037 -0.005 0.000 0.635 388 A CB -0.546 18.217 19.000 -0.395 0.000 0.810 388 A HN 0.391 nan 8.150 nan 0.000 0.446 389 M N -1.088 118.401 119.600 -0.185 0.000 2.099 389 M HA -0.074 4.397 4.480 -0.016 0.000 0.262 389 M C 2.282 178.422 176.300 -0.267 0.000 1.067 389 M CA 1.820 56.977 55.300 -0.239 0.000 1.124 389 M CB -0.167 32.254 32.600 -0.298 0.000 1.353 389 M HN 0.479 nan 8.290 nan 0.000 0.410 390 R N -0.832 119.524 120.500 -0.240 0.000 2.057 390 R HA -0.162 4.169 4.340 -0.016 0.000 0.229 390 R C 2.226 178.309 176.300 -0.361 0.000 1.136 390 R CA 1.747 57.618 56.100 -0.383 0.000 0.952 390 R CB -0.645 29.320 30.300 -0.559 0.000 0.848 390 R HN 0.386 nan 8.270 nan 0.000 0.430 391 F N 1.158 120.933 119.950 -0.291 0.000 2.095 391 F HA -0.202 4.315 4.527 -0.016 0.000 0.298 391 F C 2.607 178.394 175.800 -0.021 0.000 1.104 391 F CA 2.094 60.026 58.000 -0.113 0.000 1.232 391 F CB -0.581 38.502 39.000 0.139 0.000 0.987 391 F HN 0.090 nan 8.300 nan 0.000 0.475 392 S N -0.889 114.599 115.700 -0.352 0.000 2.395 392 S HA -0.079 4.382 4.470 -0.016 0.000 0.225 392 S C 1.326 175.548 174.600 -0.630 0.000 1.027 392 S CA 1.010 58.691 58.200 -0.865 0.000 0.965 392 S CB -0.649 61.760 63.200 -1.318 0.000 0.812 392 S HN 0.413 nan 8.310 nan 0.000 0.482 393 S N 1.214 116.663 115.700 -0.418 0.000 3.486 393 S HA -0.192 4.268 4.470 -0.016 0.000 0.371 393 S C 0.447 174.798 174.600 -0.414 0.000 1.001 393 S CA 0.696 58.693 58.200 -0.338 0.000 1.164 393 S CB -2.494 60.690 63.200 -0.027 0.000 0.911 393 S HN 0.811 nan 8.310 nan 0.000 0.472 394 F N -1.096 118.502 119.950 -0.587 0.000 2.411 394 F HA 0.072 4.589 4.527 -0.017 0.000 0.299 394 F C 0.689 176.336 175.800 -0.254 0.000 1.077 394 F CA 0.518 58.228 58.000 -0.483 0.000 1.439 394 F CB -0.063 38.585 39.000 -0.587 0.000 1.085 394 F HN 0.194 nan 8.300 nan 0.000 0.564 395 V N 3.874 123.405 119.914 -0.639 0.000 2.271 395 V HA 0.159 4.269 4.120 -0.016 0.000 0.259 395 V C -1.144 174.772 176.094 -0.297 0.000 1.030 395 V CA -1.392 60.662 62.300 -0.410 0.000 0.957 395 V CB 0.518 32.026 31.823 -0.525 0.000 1.186 395 V HN -0.001 nan 8.190 nan 0.000 0.471 396 P HA -0.106 nan 4.420 nan 0.000 0.216 396 P C 0.475 177.756 177.300 -0.031 0.000 1.153 396 P CA 1.434 64.414 63.100 -0.200 0.000 0.858 396 P CB 0.855 32.189 31.700 -0.609 0.000 0.789 397 V N 0.109 120.003 119.914 -0.033 0.000 2.686 397 V HA 0.205 4.316 4.120 -0.016 0.000 0.306 397 V C 0.721 176.800 176.094 -0.026 0.000 1.065 397 V CA -0.649 61.659 62.300 0.013 0.000 0.894 397 V CB 1.805 33.658 31.823 0.051 0.000 1.004 397 V HN 0.170 nan 8.190 nan 0.000 0.424 398 T N 2.937 117.487 114.554 -0.007 0.000 2.680 398 T HA 0.389 4.729 4.350 -0.016 0.000 0.314 398 T C 0.318 175.058 174.700 0.067 0.000 1.045 398 T CA -0.270 61.849 62.100 0.032 0.000 1.025 398 T CB 0.313 69.239 68.868 0.096 0.000 1.000 398 T HN 0.395 nan 8.240 nan 0.000 0.535 399 I N 2.649 123.273 120.570 0.091 0.000 2.668 399 I HA 0.152 4.312 4.170 -0.016 0.000 0.285 399 I C -1.906 174.353 176.117 0.236 0.000 1.168 399 I CA -1.839 59.520 61.300 0.099 0.000 1.424 399 I CB 0.224 38.167 38.000 -0.095 0.000 1.377 399 I HN 0.535 nan 8.210 nan 0.000 0.560 400 P HA -0.069 nan 4.420 nan 0.000 0.263 400 P C -0.539 177.014 177.300 0.422 0.000 1.168 400 P CA 0.767 64.105 63.100 0.396 0.000 0.759 400 P CB 0.297 32.314 31.700 0.528 0.000 0.782 401 H N 0.692 119.878 119.070 0.193 0.000 2.669 401 H HA 0.779 5.325 4.556 -0.016 0.000 0.318 401 H C -0.360 174.973 175.328 0.009 0.000 1.429 401 H CA -1.179 54.922 56.048 0.088 0.000 1.460 401 H CB 1.698 31.520 29.762 0.100 0.000 1.784 401 H HN 0.425 nan 8.280 nan 0.000 0.750 402 A N 0.819 123.668 122.820 0.049 0.000 2.517 402 A HA 0.339 4.650 4.320 -0.016 0.000 0.297 402 A C -0.358 177.086 177.584 -0.233 0.000 1.050 402 A CA -0.799 51.170 52.037 -0.113 0.000 0.694 402 A CB 0.998 19.912 19.000 -0.143 0.000 1.277 402 A HN 0.666 nan 8.150 nan 0.000 0.400 403 T N -0.302 114.029 114.554 -0.372 0.000 2.910 403 T HA 0.485 4.826 4.350 -0.016 0.000 0.293 403 T C 0.732 175.225 174.700 -0.345 0.000 1.015 403 T CA 0.390 62.156 62.100 -0.556 0.000 1.094 403 T CB 1.015 69.422 68.868 -0.768 0.000 0.968 403 T HN 0.518 nan 8.240 nan 0.000 0.521 404 T N 0.672 115.045 114.554 -0.301 0.000 3.044 404 T HA 0.547 4.887 4.350 -0.016 0.000 0.250 404 T C 0.557 175.175 174.700 -0.136 0.000 1.081 404 T CA 0.242 62.235 62.100 -0.177 0.000 1.040 404 T CB 0.068 68.868 68.868 -0.114 0.000 0.962 404 T HN 1.051 nan 8.240 nan 0.000 0.506 405 A N 1.380 124.099 122.820 -0.170 0.000 2.594 405 A HA 0.537 4.847 4.320 -0.016 0.000 0.296 405 A C -1.242 176.261 177.584 -0.134 0.000 1.061 405 A CA -1.083 50.889 52.037 -0.110 0.000 0.689 405 A CB 0.825 19.794 19.000 -0.053 0.000 1.280 405 A HN 0.130 nan 8.150 nan 0.000 0.406 406 N N 1.291 119.941 118.700 -0.083 0.000 2.357 406 N HA 0.252 4.983 4.740 -0.016 0.000 0.257 406 N C 0.036 175.516 175.510 -0.051 0.000 1.250 406 N CA 1.280 54.279 53.050 -0.086 0.000 0.862 406 N CB 0.830 39.360 38.487 0.072 0.000 1.066 406 N HN 0.848 nan 8.380 nan 0.000 0.468 407 T N -1.140 113.355 114.554 -0.099 0.000 2.739 407 T HA 0.549 4.890 4.350 -0.016 0.000 0.303 407 T C -1.470 173.265 174.700 0.059 0.000 1.389 407 T CA -0.734 61.389 62.100 0.039 0.000 1.001 407 T CB 0.924 69.870 68.868 0.129 0.000 1.436 407 T HN 0.528 nan 8.240 nan 0.000 0.500 408 S N 0.595 116.382 115.700 0.145 0.000 2.549 408 S HA 0.811 5.271 4.470 -0.016 0.000 0.280 408 S C -1.501 173.183 174.600 0.140 0.000 1.109 408 S CA -0.669 57.622 58.200 0.151 0.000 0.905 408 S CB 1.624 64.919 63.200 0.159 0.000 1.081 408 S HN 0.719 nan 8.310 nan 0.000 0.477 409 V N 3.565 123.564 119.914 0.140 0.000 2.588 409 V HA 0.497 4.607 4.120 -0.016 0.000 0.304 409 V C 0.209 176.365 176.094 0.104 0.000 1.042 409 V CA -0.973 61.371 62.300 0.074 0.000 0.877 409 V CB 1.189 33.014 31.823 0.005 0.000 0.996 409 V HN 1.067 nan 8.190 nan 0.000 0.425 410 L N 5.028 126.281 121.223 0.051 0.000 3.737 410 L HA -0.311 4.019 4.340 -0.016 0.000 0.418 410 L C 1.358 178.209 176.870 -0.032 0.000 1.216 410 L CA 0.833 55.692 54.840 0.032 0.000 0.915 410 L CB -1.601 40.505 42.059 0.078 0.000 1.834 410 L HN 1.218 nan 8.230 nan 0.000 0.943 411 G N -2.325 106.460 108.800 -0.025 0.000 2.420 411 G HA2 -0.349 3.601 3.960 -0.016 0.000 0.221 411 G HA3 -0.349 3.601 3.960 -0.016 0.000 0.221 411 G C 0.077 174.950 174.900 -0.045 0.000 1.117 411 G CA 0.131 45.176 45.100 -0.092 0.000 0.657 411 G HN 0.247 nan 8.290 nan 0.000 0.512 412 Y N 2.488 122.826 120.300 0.064 0.000 2.632 412 Y HA 0.446 4.986 4.550 -0.016 0.000 0.329 412 Y C 1.104 177.063 175.900 0.099 0.000 1.174 412 Y CA 0.125 58.272 58.100 0.078 0.000 1.469 412 Y CB 0.165 38.660 38.460 0.057 0.000 1.242 412 Y HN 0.483 nan 8.280 nan 0.000 0.540 413 H N 4.238 123.437 119.070 0.215 0.000 2.803 413 H HA 0.364 4.911 4.556 -0.016 0.000 0.330 413 H C -0.809 174.574 175.328 0.091 0.000 1.057 413 H CA -0.151 55.968 56.048 0.119 0.000 1.458 413 H CB 0.176 29.986 29.762 0.081 0.000 1.470 413 H HN 0.574 nan 8.280 nan 0.000 0.560 414 I N 8.896 129.176 120.570 -0.485 0.000 2.495 414 I HA 0.232 4.393 4.170 -0.016 0.000 0.277 414 I C -2.418 173.374 176.117 -0.541 0.000 1.045 414 I CA -2.155 58.917 61.300 -0.380 0.000 1.135 414 I CB 1.778 39.701 38.000 -0.129 0.000 1.241 414 I HN 0.520 nan 8.210 nan 0.000 0.469 415 P HA -0.015 nan 4.420 nan 0.000 0.268 415 P C -0.282 176.887 177.300 -0.219 0.000 1.204 415 P CA -0.199 62.726 63.100 -0.292 0.000 0.768 415 P CB 0.906 32.540 31.700 -0.110 0.000 0.842 416 K N 3.053 123.353 120.400 -0.167 0.000 2.586 416 K HA -0.155 4.155 4.320 -0.016 0.000 0.280 416 K C 0.115 176.619 176.600 -0.160 0.000 0.972 416 K CA 0.784 56.972 56.287 -0.166 0.000 1.040 416 K CB -0.322 32.114 32.500 -0.106 0.000 0.870 416 K HN 0.500 nan 8.250 nan 0.000 0.497 417 D N 0.761 121.049 120.400 -0.187 0.000 2.907 417 D HA -0.155 4.476 4.640 -0.016 0.000 0.226 417 D C -0.488 175.712 176.300 -0.167 0.000 1.141 417 D CA 1.343 55.240 54.000 -0.172 0.000 0.779 417 D CB -1.470 39.250 40.800 -0.134 0.000 1.095 417 D HN 0.619 nan 8.370 nan 0.000 0.430 418 T N -0.708 113.727 114.554 -0.198 0.000 2.824 418 T HA 0.473 4.814 4.350 -0.016 0.000 0.280 418 T C 0.330 174.923 174.700 -0.178 0.000 0.995 418 T CA -0.580 61.414 62.100 -0.177 0.000 1.009 418 T CB 1.617 70.374 68.868 -0.186 0.000 0.955 418 T HN -0.060 nan 8.240 nan 0.000 0.452 419 V N 5.727 125.556 119.914 -0.141 0.000 2.585 419 V HA 0.323 4.434 4.120 -0.016 0.000 0.296 419 V C 0.145 176.167 176.094 -0.121 0.000 1.035 419 V CA -0.089 62.151 62.300 -0.100 0.000 1.084 419 V CB 0.980 32.786 31.823 -0.030 0.000 0.953 419 V HN 0.743 nan 8.190 nan 0.000 0.483 420 V N 5.231 125.154 119.914 0.015 0.000 2.709 420 V HA 0.544 4.654 4.120 -0.016 0.000 0.308 420 V C -0.780 175.499 176.094 0.309 0.000 1.062 420 V CA -0.689 61.631 62.300 0.032 0.000 0.901 420 V CB 1.945 33.838 31.823 0.118 0.000 1.003 420 V HN 0.583 nan 8.190 nan 0.000 0.425 421 F N 2.648 122.530 119.950 -0.113 0.000 2.458 421 F HA 0.617 5.135 4.527 -0.016 0.000 0.336 421 F C 0.091 175.789 175.800 -0.170 0.000 1.114 421 F CA -1.575 56.356 58.000 -0.114 0.000 0.987 421 F CB 1.912 40.796 39.000 -0.192 0.000 1.130 421 F HN 0.133 nan 8.300 nan 0.000 0.458 422 V N 3.944 123.879 119.914 0.035 0.000 2.350 422 V HA 0.242 4.353 4.120 -0.016 0.000 0.276 422 V C 0.124 176.241 176.094 0.038 0.000 1.028 422 V CA -0.817 61.451 62.300 -0.054 0.000 0.860 422 V CB 1.283 32.999 31.823 -0.179 0.000 0.990 422 V HN 0.575 nan 8.190 nan 0.000 0.453 423 N N 4.285 123.033 118.700 0.081 0.000 2.521 423 N HA 0.200 4.930 4.740 -0.016 0.000 0.236 423 N C 0.966 176.579 175.510 0.172 0.000 1.067 423 N CA 0.023 53.191 53.050 0.198 0.000 0.939 423 N CB 1.273 39.936 38.487 0.292 0.000 1.201 423 N HN 0.675 nan 8.380 nan 0.000 0.511 424 Q N 1.606 121.482 119.800 0.126 0.000 2.083 424 Q HA -0.126 4.204 4.340 -0.016 0.000 0.198 424 Q C 1.249 177.323 176.000 0.124 0.000 0.969 424 Q CA 1.040 56.885 55.803 0.071 0.000 0.838 424 Q CB 0.049 28.773 28.738 -0.023 0.000 0.900 424 Q HN 0.707 nan 8.270 nan 0.000 0.436 425 W N 1.617 122.924 121.300 0.011 0.000 2.331 425 W HA -0.219 4.431 4.660 -0.016 0.000 0.291 425 W C 1.915 178.549 176.519 0.193 0.000 1.214 425 W CA 1.678 59.075 57.345 0.087 0.000 1.228 425 W CB 0.032 29.543 29.460 0.085 0.000 1.135 425 W HN -0.056 nan 8.180 nan 0.000 0.537 426 S N -0.499 115.456 115.700 0.425 0.000 2.515 426 S HA -0.096 4.364 4.470 -0.016 0.000 0.231 426 S C 1.553 176.212 174.600 0.099 0.000 0.987 426 S CA 1.126 59.503 58.200 0.294 0.000 0.936 426 S CB -0.062 63.371 63.200 0.389 0.000 0.766 426 S HN 0.149 nan 8.310 nan 0.000 0.528 427 V N 1.975 121.930 119.914 0.068 0.000 2.825 427 V HA 0.070 4.180 4.120 -0.016 0.000 0.246 427 V C 1.571 177.713 176.094 0.079 0.000 1.068 427 V CA 0.848 63.200 62.300 0.085 0.000 1.088 427 V CB -0.314 31.564 31.823 0.092 0.000 0.733 427 V HN 0.388 nan 8.190 nan 0.000 0.468 428 N N -0.507 118.103 118.700 -0.150 0.000 2.446 428 N HA -0.030 4.700 4.740 -0.016 0.000 0.179 428 N C 1.292 176.368 175.510 -0.722 0.000 1.054 428 N CA 0.833 53.599 53.050 -0.473 0.000 0.905 428 N CB -0.091 38.052 38.487 -0.573 0.000 0.973 428 N HN 0.523 nan 8.380 nan 0.000 0.448 429 H N -0.509 118.265 119.070 -0.494 0.000 2.592 429 H HA 0.123 4.670 4.556 -0.016 0.000 0.279 429 H C -0.527 174.693 175.328 -0.180 0.000 1.089 429 H CA -0.380 55.361 56.048 -0.513 0.000 1.150 429 H CB 0.411 29.387 29.762 -1.310 0.000 1.575 429 H HN 0.211 nan 8.280 nan 0.000 0.547 430 D N 2.082 122.521 120.400 0.065 0.000 2.434 430 D HA -0.002 4.629 4.640 -0.016 0.000 0.252 430 D C -1.504 174.853 176.300 0.096 0.000 1.185 430 D CA -1.341 52.715 54.000 0.094 0.000 0.886 430 D CB 1.651 42.508 40.800 0.094 0.000 1.148 430 D HN 0.031 nan 8.370 nan 0.000 0.483 431 P HA -0.200 nan 4.420 nan 0.000 0.214 431 P C 1.471 178.772 177.300 0.002 0.000 1.163 431 P CA 1.094 64.228 63.100 0.057 0.000 0.889 431 P CB 0.100 31.832 31.700 0.054 0.000 0.790 432 L N -0.704 120.501 121.223 -0.030 0.000 2.042 432 L HA -0.208 4.123 4.340 -0.016 0.000 0.210 432 L C 2.542 179.297 176.870 -0.192 0.000 1.076 432 L CA 1.746 56.534 54.840 -0.086 0.000 0.749 432 L CB -0.855 41.161 42.059 -0.072 0.000 0.893 432 L HN 0.037 nan 8.230 nan 0.000 0.432 433 K N -0.700 119.538 120.400 -0.270 0.000 2.243 433 K HA -0.099 4.212 4.320 -0.016 0.000 0.201 433 K C -0.260 175.735 176.600 -1.007 0.000 1.051 433 K CA 0.593 56.497 56.287 -0.639 0.000 0.970 433 K CB 0.274 32.364 32.500 -0.683 0.000 0.755 433 K HN 0.205 nan 8.250 nan 0.000 0.465 434 W N 0.750 121.986 121.300 -0.106 0.000 2.516 434 W HA 0.312 4.962 4.660 -0.017 0.000 0.293 434 W C -2.287 174.175 176.519 -0.095 0.000 1.006 434 W CA -1.918 55.346 57.345 -0.135 0.000 1.483 434 W CB 1.539 30.892 29.460 -0.179 0.000 1.316 434 W HN -0.013 nan 8.180 nan 0.000 0.411 435 P HA -0.218 nan 4.420 nan 0.000 0.216 435 P C 0.407 177.744 177.300 0.063 0.000 1.154 435 P CA 1.646 64.763 63.100 0.028 0.000 0.865 435 P CB 0.262 31.952 31.700 -0.015 0.000 0.789 436 N N -0.537 118.207 118.700 0.073 0.000 3.298 436 N HA 0.071 4.802 4.740 -0.016 0.000 0.292 436 N C -1.581 174.003 175.510 0.123 0.000 1.271 436 N CA -1.555 51.544 53.050 0.081 0.000 1.184 436 N CB -0.322 38.188 38.487 0.039 0.000 1.452 436 N HN 0.299 nan 8.380 nan 0.000 0.534 437 P HA -0.118 nan 4.420 nan 0.000 0.215 437 P C 0.515 178.005 177.300 0.316 0.000 1.153 437 P CA 1.390 64.599 63.100 0.182 0.000 0.853 437 P CB 0.602 32.410 31.700 0.180 0.000 0.788 438 E N -0.766 119.626 120.200 0.321 0.000 2.474 438 E HA 0.134 4.474 4.350 -0.016 0.000 0.195 438 E C 0.118 177.004 176.600 0.477 0.000 1.039 438 E CA -0.002 56.658 56.400 0.434 0.000 0.881 438 E CB -0.176 29.715 29.700 0.318 0.000 0.970 438 E HN 0.409 nan 8.360 nan 0.000 0.486 439 N N 0.819 119.698 118.700 0.297 0.000 2.372 439 N HA 0.111 4.841 4.740 -0.016 0.000 0.291 439 N C -0.833 174.622 175.510 -0.091 0.000 1.024 439 N CA -0.528 52.603 53.050 0.135 0.000 0.873 439 N CB 1.306 39.857 38.487 0.106 0.000 1.206 439 N HN -0.070 nan 8.380 nan 0.000 0.486 440 F N 2.374 121.939 119.950 -0.641 0.000 2.556 440 F HA 0.060 4.577 4.527 -0.016 0.000 0.344 440 F C 0.170 175.698 175.800 -0.453 0.000 1.255 440 F CA -0.371 57.070 58.000 -0.933 0.000 1.091 440 F CB -0.102 37.912 39.000 -1.643 0.000 1.325 440 F HN 0.282 nan 8.300 nan 0.000 0.627 441 D N 8.299 128.335 120.400 -0.608 0.000 2.458 441 D HA 0.265 4.895 4.640 -0.016 0.000 0.258 441 D C -2.001 174.040 176.300 -0.432 0.000 1.134 441 D CA -2.015 51.731 54.000 -0.423 0.000 0.915 441 D CB 1.611 42.295 40.800 -0.194 0.000 1.028 441 D HN 0.221 nan 8.370 nan 0.000 0.508 442 P HA -0.101 nan 4.420 nan 0.000 0.219 442 P C 1.074 178.361 177.300 -0.022 0.000 1.146 442 P CA 0.835 63.763 63.100 -0.287 0.000 0.808 442 P CB 0.337 31.803 31.700 -0.390 0.000 0.779 443 A N -0.119 122.722 122.820 0.034 0.000 2.125 443 A HA -0.192 4.119 4.320 -0.016 0.000 0.219 443 A C 2.262 179.851 177.584 0.009 0.000 1.156 443 A CA 0.961 53.061 52.037 0.105 0.000 0.671 443 A CB -1.195 17.868 19.000 0.105 0.000 0.794 443 A HN 0.063 nan 8.150 nan 0.000 0.459 444 R N -1.510 118.924 120.500 -0.109 0.000 2.249 444 R HA -0.139 4.191 4.340 -0.016 0.000 0.230 444 R C 0.400 176.469 176.300 -0.385 0.000 1.121 444 R CA 1.513 57.456 56.100 -0.262 0.000 0.997 444 R CB -0.234 29.824 30.300 -0.404 0.000 0.867 444 R HN 0.525 nan 8.270 nan 0.000 0.465 445 F N -0.332 119.641 119.950 0.038 0.000 2.682 445 F HA 0.270 4.788 4.527 -0.014 0.000 0.308 445 F C 0.290 176.110 175.800 0.033 0.000 1.093 445 F CA -0.318 57.706 58.000 0.041 0.000 1.244 445 F CB 0.484 39.491 39.000 0.011 0.000 1.052 445 F HN -0.161 nan 8.300 nan 0.000 0.573 446 L N 0.937 122.264 121.223 0.172 0.000 2.290 446 L HA 0.200 4.531 4.340 -0.016 0.000 0.284 446 L C 0.034 176.957 176.870 0.089 0.000 1.078 446 L CA -0.471 54.457 54.840 0.146 0.000 0.815 446 L CB 0.785 42.946 42.059 0.170 0.000 1.162 446 L HN -0.018 nan 8.230 nan 0.000 0.435 447 D N 1.764 122.211 120.400 0.080 0.000 2.362 447 D HA 0.003 4.633 4.640 -0.016 0.000 0.242 447 D C 0.932 177.258 176.300 0.043 0.000 1.132 447 D CA -0.242 53.788 54.000 0.050 0.000 0.907 447 D CB 1.096 41.924 40.800 0.046 0.000 1.195 447 D HN 0.265 nan 8.370 nan 0.000 0.429 448 K N 0.824 121.240 120.400 0.026 0.000 2.242 448 K HA -0.132 4.179 4.320 -0.016 0.000 0.206 448 K C 0.427 177.042 176.600 0.026 0.000 1.045 448 K CA 1.511 57.811 56.287 0.021 0.000 0.930 448 K CB -0.112 32.395 32.500 0.012 0.000 0.726 448 K HN 0.487 nan 8.250 nan 0.000 0.462 449 D N -1.728 118.691 120.400 0.030 0.000 2.525 449 D HA 0.220 4.851 4.640 -0.016 0.000 0.229 449 D C 0.729 177.055 176.300 0.043 0.000 1.202 449 D CA 0.476 54.494 54.000 0.031 0.000 0.828 449 D CB 0.366 41.181 40.800 0.025 0.000 1.008 449 D HN 0.232 nan 8.370 nan 0.000 0.493 450 G N 0.767 109.601 108.800 0.057 0.000 2.176 450 G HA2 -0.271 3.680 3.960 -0.016 0.000 0.253 450 G HA3 -0.271 3.680 3.960 -0.016 0.000 0.253 450 G C 0.128 175.086 174.900 0.097 0.000 0.979 450 G CA 0.144 45.291 45.100 0.079 0.000 0.641 450 G HN 0.373 nan 8.290 nan 0.000 0.530 451 L N 0.899 122.170 121.223 0.080 0.000 2.365 451 L HA 0.765 5.096 4.340 -0.016 0.000 0.267 451 L C 1.282 178.203 176.870 0.084 0.000 1.033 451 L CA -1.571 53.317 54.840 0.080 0.000 0.802 451 L CB 1.152 43.245 42.059 0.056 0.000 1.267 451 L HN 0.285 nan 8.230 nan 0.000 0.457 452 I N -0.385 120.231 120.570 0.076 0.000 2.612 452 I HA 0.326 4.487 4.170 -0.016 0.000 0.295 452 I C -0.544 175.595 176.117 0.036 0.000 1.011 452 I CA -0.553 60.787 61.300 0.067 0.000 1.326 452 I CB 0.943 38.960 38.000 0.028 0.000 1.427 452 I HN 0.607 nan 8.210 nan 0.000 0.537 453 N N 4.521 123.248 118.700 0.045 0.000 2.626 453 N HA 0.217 4.947 4.740 -0.016 0.000 0.242 453 N C 0.006 175.521 175.510 0.009 0.000 1.005 453 N CA -0.876 52.190 53.050 0.026 0.000 0.905 453 N CB 1.601 40.109 38.487 0.035 0.000 1.128 453 N HN 0.724 nan 8.380 nan 0.000 0.512 454 K N 0.782 121.164 120.400 -0.030 0.000 2.163 454 K HA -0.231 4.079 4.320 -0.016 0.000 0.210 454 K C 0.332 176.926 176.600 -0.010 0.000 1.048 454 K CA 1.807 58.061 56.287 -0.055 0.000 0.928 454 K CB -0.019 32.457 32.500 -0.040 0.000 0.716 454 K HN 0.515 nan 8.250 nan 0.000 0.459 455 D N 0.320 120.726 120.400 0.010 0.000 2.271 455 D HA -0.157 4.474 4.640 -0.016 0.000 0.207 455 D C 1.624 177.957 176.300 0.055 0.000 0.983 455 D CA 0.975 54.987 54.000 0.020 0.000 0.878 455 D CB 0.169 40.969 40.800 -0.000 0.000 0.920 455 D HN 0.150 nan 8.370 nan 0.000 0.479 456 L N -0.484 120.810 121.223 0.118 0.000 2.445 456 L HA 0.014 4.345 4.340 -0.016 0.000 0.207 456 L C 2.398 179.544 176.870 0.461 0.000 1.053 456 L CA 0.564 55.570 54.840 0.277 0.000 0.841 456 L CB -1.137 41.081 42.059 0.264 0.000 1.074 456 L HN -0.066 nan 8.230 nan 0.000 0.479 457 T N -0.033 114.647 114.554 0.209 0.000 2.849 457 T HA -0.134 4.207 4.350 -0.016 0.000 0.270 457 T C 1.639 176.230 174.700 -0.182 0.000 1.066 457 T CA 1.770 63.691 62.100 -0.299 0.000 1.130 457 T CB 0.015 68.421 68.868 -0.770 0.000 0.864 457 T HN 0.387 nan 8.240 nan 0.000 0.481 458 S N -0.882 114.818 115.700 0.001 0.000 2.582 458 S HA 0.321 4.782 4.470 -0.016 0.000 0.234 458 S C 1.437 176.127 174.600 0.150 0.000 0.961 458 S CA -0.462 57.779 58.200 0.068 0.000 0.953 458 S CB 0.061 63.285 63.200 0.040 0.000 0.800 458 S HN 0.333 nan 8.310 nan 0.000 0.471 459 R N 0.387 121.039 120.500 0.253 0.000 2.334 459 R HA 0.384 4.714 4.340 -0.016 0.000 0.212 459 R C -0.278 176.257 176.300 0.391 0.000 0.897 459 R CA 0.149 56.435 56.100 0.309 0.000 1.056 459 R CB 0.364 30.864 30.300 0.333 0.000 1.046 459 R HN 0.344 nan 8.270 nan 0.000 0.513 460 V N 1.811 121.917 119.914 0.320 0.000 2.614 460 V HA 0.165 4.276 4.120 -0.016 0.000 0.291 460 V C 0.180 176.331 176.094 0.095 0.000 1.049 460 V CA 0.077 62.467 62.300 0.150 0.000 1.038 460 V CB 1.360 33.224 31.823 0.068 0.000 0.980 460 V HN 0.236 nan 8.190 nan 0.000 0.481 461 M N 5.919 125.528 119.600 0.016 0.000 2.043 461 M HA 0.498 4.969 4.480 -0.016 0.000 0.322 461 M C -0.090 176.137 176.300 -0.123 0.000 0.962 461 M CA -0.042 55.257 55.300 -0.002 0.000 0.927 461 M CB 0.838 33.456 32.600 0.029 0.000 1.466 461 M HN 0.766 nan 8.290 nan 0.000 0.412 462 I N 2.322 122.777 120.570 -0.193 0.000 4.922 462 I HA 0.190 4.350 4.170 -0.016 0.000 0.331 462 I C -0.123 175.696 176.117 -0.498 0.000 1.260 462 I CA 0.181 61.212 61.300 -0.449 0.000 1.366 462 I CB 0.670 38.253 38.000 -0.695 0.000 1.386 462 I HN 0.653 nan 8.210 nan 0.000 0.483 463 F N 0.977 120.869 119.950 -0.097 0.000 2.660 463 F HA 0.344 4.863 4.527 -0.012 0.000 0.302 463 F C 1.249 177.034 175.800 -0.026 0.000 1.103 463 F CA 0.483 58.447 58.000 -0.060 0.000 1.340 463 F CB 0.109 39.095 39.000 -0.025 0.000 1.048 463 F HN 0.072 nan 8.300 nan 0.000 0.551 464 S N -0.002 115.754 115.700 0.094 0.000 3.633 464 S HA -0.123 4.338 4.470 -0.016 0.000 0.637 464 S C -0.679 173.982 174.600 0.101 0.000 2.289 464 S CA 0.158 58.406 58.200 0.079 0.000 2.476 464 S CB -0.810 62.449 63.200 0.097 0.000 0.330 464 S HN 0.860 nan 8.310 nan 0.000 1.787 465 V N -1.434 118.527 119.914 0.077 0.000 3.120 465 V HA 0.918 5.029 4.120 -0.016 0.000 0.303 465 V C 0.647 176.771 176.094 0.051 0.000 1.238 465 V CA 0.671 63.006 62.300 0.058 0.000 1.008 465 V CB 0.675 32.511 31.823 0.022 0.000 1.064 465 V HN 3.031 nan 8.190 nan 0.000 0.434 466 G N 2.521 111.346 108.800 0.041 0.000 2.526 466 G HA2 -0.078 3.873 3.960 -0.016 0.000 0.250 466 G HA3 -0.078 3.873 3.960 -0.016 0.000 0.250 466 G C 0.109 175.064 174.900 0.092 0.000 1.289 466 G CA 0.039 45.165 45.100 0.044 0.000 0.947 466 G HN 1.036 nan 8.290 nan 0.000 0.517 467 K N -0.026 120.431 120.400 0.095 0.000 2.103 467 K HA -0.064 4.246 4.320 -0.016 0.000 0.207 467 K C 2.140 178.863 176.600 0.205 0.000 1.048 467 K CA 1.390 57.775 56.287 0.163 0.000 0.930 467 K CB -0.165 32.404 32.500 0.114 0.000 0.716 467 K HN 0.367 nan 8.250 nan 0.000 0.444 468 R N 1.671 122.245 120.500 0.125 0.000 2.391 468 R HA 0.044 4.375 4.340 -0.016 0.000 0.249 468 R C 0.288 176.640 176.300 0.088 0.000 0.957 468 R CA -0.086 56.070 56.100 0.094 0.000 1.093 468 R CB -0.372 29.869 30.300 -0.098 0.000 1.156 468 R HN 0.357 nan 8.270 nan 0.000 0.526 469 R N -0.591 119.967 120.500 0.097 0.000 2.643 469 R HA 0.127 4.458 4.340 -0.016 0.000 0.270 469 R C 0.120 176.443 176.300 0.038 0.000 1.061 469 R CA -0.434 55.719 56.100 0.088 0.000 1.107 469 R CB 0.330 30.688 30.300 0.097 0.000 0.999 469 R HN -0.047 nan 8.270 nan 0.000 0.460 470 C N 4.655 124.006 119.300 0.085 0.000 2.431 470 C HA -0.026 4.424 4.460 -0.016 0.000 0.397 470 C C 1.935 176.880 174.990 -0.074 0.000 1.436 470 C CA -0.029 59.028 59.018 0.063 0.000 1.596 470 C CB -1.126 26.778 27.740 0.274 0.000 2.550 470 C HN 1.008 nan 8.230 nan 0.000 0.596 471 I N 3.152 123.645 120.570 -0.128 0.000 3.860 471 I HA 0.342 4.503 4.170 -0.016 0.000 0.319 471 I C 1.265 177.370 176.117 -0.019 0.000 1.279 471 I CA 0.914 62.064 61.300 -0.250 0.000 1.220 471 I CB -0.245 37.563 38.000 -0.321 0.000 1.027 471 I HN 0.667 nan 8.210 nan 0.000 0.428 472 G N 1.539 110.339 108.800 0.001 0.000 4.433 472 G HA2 0.161 4.112 3.960 -0.016 0.000 0.304 472 G HA3 0.161 4.112 3.960 -0.016 0.000 0.304 472 G C 0.732 175.583 174.900 -0.083 0.000 1.254 472 G CA -0.201 44.919 45.100 0.034 0.000 0.999 472 G HN 0.418 nan 8.290 nan 0.000 0.576 473 E N 0.325 120.351 120.200 -0.291 0.000 2.028 473 E HA -0.142 4.198 4.350 -0.016 0.000 0.191 473 E C 1.901 178.244 176.600 -0.429 0.000 0.988 473 E CA 1.100 57.029 56.400 -0.785 0.000 0.799 473 E CB 0.064 29.135 29.700 -1.048 0.000 0.755 473 E HN 0.523 nan 8.360 nan 0.000 0.447 474 E N 0.066 120.132 120.200 -0.223 0.000 2.110 474 E HA -0.209 4.131 4.350 -0.016 0.000 0.193 474 E C 2.196 178.729 176.600 -0.112 0.000 0.988 474 E CA 0.907 57.231 56.400 -0.125 0.000 0.804 474 E CB -0.071 29.592 29.700 -0.062 0.000 0.745 474 E HN 0.244 nan 8.360 nan 0.000 0.458 475 L N 0.487 121.633 121.223 -0.127 0.000 2.046 475 L HA -0.140 4.191 4.340 -0.016 0.000 0.208 475 L C 2.189 179.017 176.870 -0.069 0.000 1.077 475 L CA 1.862 56.583 54.840 -0.200 0.000 0.747 475 L CB -0.638 41.285 42.059 -0.227 0.000 0.896 475 L HN 0.004 nan 8.230 nan 0.000 0.432 476 S N -0.373 115.332 115.700 0.008 0.000 2.370 476 S HA -0.200 4.261 4.470 -0.016 0.000 0.226 476 S C 1.917 176.596 174.600 0.132 0.000 1.033 476 S CA 1.622 59.900 58.200 0.130 0.000 1.011 476 S CB -0.261 63.121 63.200 0.303 0.000 0.852 476 S HN 0.476 nan 8.310 nan 0.000 0.457 477 K N 1.266 121.713 120.400 0.078 0.000 2.031 477 K HA 0.011 4.322 4.320 -0.016 0.000 0.205 477 K C 2.092 178.745 176.600 0.088 0.000 1.049 477 K CA 1.319 57.652 56.287 0.078 0.000 0.939 477 K CB -0.324 32.197 32.500 0.034 0.000 0.717 477 K HN 0.523 nan 8.250 nan 0.000 0.438 478 M N -0.006 119.608 119.600 0.023 0.000 2.740 478 M HA -0.020 4.451 4.480 -0.016 0.000 0.230 478 M C 1.383 177.724 176.300 0.067 0.000 1.100 478 M CA 1.270 56.580 55.300 0.017 0.000 1.047 478 M CB 0.266 32.829 32.600 -0.061 0.000 1.652 478 M HN 0.055 nan 8.290 nan 0.000 0.528 479 Q N 0.221 120.089 119.800 0.114 0.000 2.471 479 Q HA 0.270 4.600 4.340 -0.016 0.000 0.259 479 Q C 1.710 177.868 176.000 0.263 0.000 0.850 479 Q CA 0.013 55.905 55.803 0.148 0.000 0.981 479 Q CB 0.467 29.298 28.738 0.156 0.000 1.180 479 Q HN 0.668 nan 8.270 nan 0.000 0.571 480 L N 0.444 121.813 121.223 0.244 0.000 2.313 480 L HA -0.014 4.316 4.340 -0.016 0.000 0.214 480 L C 1.947 178.948 176.870 0.219 0.000 1.119 480 L CA 0.518 55.496 54.840 0.229 0.000 0.809 480 L CB -0.171 41.973 42.059 0.142 0.000 0.933 480 L HN 0.266 nan 8.230 nan 0.000 0.449 481 F N 0.609 120.616 119.950 0.094 0.000 2.098 481 F HA -0.170 4.349 4.527 -0.013 0.000 0.294 481 F C 2.145 177.997 175.800 0.087 0.000 1.107 481 F CA 1.449 59.502 58.000 0.088 0.000 1.234 481 F CB -0.064 38.972 39.000 0.061 0.000 1.002 481 F HN -0.160 nan 8.300 nan 0.000 0.472 482 L N -0.942 120.406 121.223 0.208 0.000 1.994 482 L HA -0.230 4.100 4.340 -0.016 0.000 0.208 482 L C 2.471 179.313 176.870 -0.046 0.000 1.071 482 L CA 1.390 56.250 54.840 0.033 0.000 0.745 482 L CB -0.804 41.248 42.059 -0.011 0.000 0.892 482 L HN 0.093 nan 8.230 nan 0.000 0.431 483 F N -0.416 119.558 119.950 0.040 0.000 2.120 483 F HA -0.310 4.209 4.527 -0.014 0.000 0.300 483 F C 2.424 178.233 175.800 0.016 0.000 1.095 483 F CA 1.681 59.701 58.000 0.035 0.000 1.249 483 F CB -0.341 38.677 39.000 0.030 0.000 0.995 483 F HN 0.002 nan 8.300 nan 0.000 0.480 484 I N -1.423 119.244 120.570 0.161 0.000 2.406 484 I HA -0.254 3.906 4.170 -0.016 0.000 0.249 484 I C 2.336 178.485 176.117 0.053 0.000 1.122 484 I CA 0.907 62.251 61.300 0.074 0.000 1.431 484 I CB -0.229 37.771 38.000 -0.000 0.000 1.087 484 I HN -0.010 nan 8.210 nan 0.000 0.424 485 S N 0.964 116.594 115.700 -0.116 0.000 2.370 485 S HA -0.139 4.321 4.470 -0.016 0.000 0.226 485 S C 1.852 176.468 174.600 0.026 0.000 1.033 485 S CA 1.164 59.271 58.200 -0.155 0.000 1.011 485 S CB -0.105 62.853 63.200 -0.403 0.000 0.852 485 S HN 0.313 nan 8.310 nan 0.000 0.457 486 I N 1.083 121.687 120.570 0.057 0.000 2.193 486 I HA -0.047 4.114 4.170 -0.016 0.000 0.240 486 I C 2.080 178.329 176.117 0.219 0.000 1.084 486 I CA 0.925 62.304 61.300 0.131 0.000 1.365 486 I CB -1.587 36.466 38.000 0.088 0.000 1.064 486 I HN 0.238 nan 8.210 nan 0.000 0.410 487 L N 1.214 122.588 121.223 0.252 0.000 2.012 487 L HA -0.161 4.170 4.340 -0.016 0.000 0.210 487 L C 2.686 179.803 176.870 0.411 0.000 1.073 487 L CA 2.218 57.274 54.840 0.360 0.000 0.748 487 L CB -1.642 40.677 42.059 0.434 0.000 0.891 487 L HN 0.242 nan 8.230 nan 0.000 0.431 488 A N -1.662 121.409 122.820 0.419 0.000 1.968 488 A HA -0.243 4.067 4.320 -0.016 0.000 0.217 488 A C 2.268 179.960 177.584 0.179 0.000 1.169 488 A CA 1.543 53.802 52.037 0.370 0.000 0.638 488 A CB -0.838 18.389 19.000 0.379 0.000 0.812 488 A HN 0.623 nan 8.150 nan 0.000 0.446 489 H N -1.469 117.651 119.070 0.084 0.000 2.470 489 H HA 0.087 4.635 4.556 -0.014 0.000 0.289 489 H C 1.907 177.245 175.328 0.016 0.000 1.033 489 H CA 1.664 57.732 56.048 0.033 0.000 1.331 489 H CB 0.146 29.924 29.762 0.027 0.000 1.414 489 H HN 0.358 nan 8.280 nan 0.000 0.545 490 Q N -0.847 118.929 119.800 -0.039 0.000 2.350 490 Q HA 0.217 4.548 4.340 -0.016 0.000 0.225 490 Q C -0.121 175.802 176.000 -0.127 0.000 0.878 490 Q CA 0.224 55.961 55.803 -0.110 0.000 0.935 490 Q CB 1.024 29.776 28.738 0.023 0.000 1.099 490 Q HN 0.361 nan 8.270 nan 0.000 0.527 491 C N 0.054 119.274 119.300 -0.133 0.000 3.044 491 C HA 0.555 5.006 4.460 -0.016 0.000 0.315 491 C C -0.706 174.022 174.990 -0.437 0.000 1.320 491 C CA -0.851 57.962 59.018 -0.340 0.000 1.582 491 C CB 1.896 29.291 27.740 -0.575 0.000 2.039 491 C HN 0.174 nan 8.230 nan 0.000 0.466 492 D N 0.161 120.210 120.400 -0.585 0.000 2.629 492 D HA 0.621 5.252 4.640 -0.016 0.000 0.250 492 D C -1.437 174.510 176.300 -0.588 0.000 1.126 492 D CA -0.033 53.710 54.000 -0.427 0.000 0.852 492 D CB 0.954 41.610 40.800 -0.239 0.000 1.335 492 D HN 0.297 nan 8.370 nan 0.000 0.518 493 F N 1.959 121.924 119.950 0.024 0.000 2.426 493 F HA 0.507 5.024 4.527 -0.016 0.000 0.348 493 F C 0.764 176.608 175.800 0.074 0.000 1.124 493 F CA -0.833 57.212 58.000 0.075 0.000 1.008 493 F CB 1.438 40.551 39.000 0.188 0.000 1.139 493 F HN -0.124 nan 8.300 nan 0.000 0.452 494 R N 1.804 122.426 120.500 0.204 0.000 2.562 494 R HA 0.794 5.125 4.340 -0.016 0.000 0.298 494 R C -0.466 176.017 176.300 0.305 0.000 0.961 494 R CA -1.027 55.184 56.100 0.185 0.000 0.881 494 R CB 1.990 32.339 30.300 0.082 0.000 1.159 494 R HN 0.739 nan 8.270 nan 0.000 0.450 495 A N 1.808 124.809 122.820 0.302 0.000 2.313 495 A HA 0.154 4.465 4.320 -0.016 0.000 0.261 495 A C -0.118 177.713 177.584 0.412 0.000 1.090 495 A CA -0.444 51.788 52.037 0.325 0.000 0.807 495 A CB 0.339 19.442 19.000 0.172 0.000 1.055 495 A HN 0.680 nan 8.150 nan 0.000 0.492 496 N N 1.363 120.132 118.700 0.116 0.000 2.402 496 N HA 0.189 4.919 4.740 -0.016 0.000 0.252 496 N C -1.277 174.091 175.510 -0.237 0.000 1.118 496 N CA -1.968 50.746 53.050 -0.559 0.000 0.945 496 N CB 0.830 38.824 38.487 -0.821 0.000 1.147 496 N HN 0.317 nan 8.380 nan 0.000 0.495 497 P HA -0.118 nan 4.420 nan 0.000 0.217 497 P C 0.278 177.527 177.300 -0.086 0.000 1.150 497 P CA 1.061 64.132 63.100 -0.048 0.000 0.832 497 P CB 0.372 32.084 31.700 0.020 0.000 0.787 498 N N 0.369 118.982 118.700 -0.145 0.000 2.609 498 N HA -0.103 4.628 4.740 -0.016 0.000 0.190 498 N C 0.515 175.957 175.510 -0.112 0.000 1.157 498 N CA 0.589 53.568 53.050 -0.118 0.000 0.918 498 N CB -0.173 38.234 38.487 -0.133 0.000 0.978 498 N HN 0.269 nan 8.380 nan 0.000 0.448 499 E N 2.290 122.415 120.200 -0.125 0.000 1.924 499 E HA 0.129 4.469 4.350 -0.016 0.000 0.261 499 E C -1.410 175.154 176.600 -0.059 0.000 1.088 499 E CA -2.100 54.243 56.400 -0.096 0.000 0.909 499 E CB 0.754 30.390 29.700 -0.107 0.000 1.112 499 E HN 0.117 nan 8.360 nan 0.000 0.425 500 P HA -0.122 nan 4.420 nan 0.000 0.208 500 P C 0.133 177.420 177.300 -0.023 0.000 1.195 500 P CA 0.702 63.785 63.100 -0.029 0.000 0.927 500 P CB -0.285 31.401 31.700 -0.024 0.000 0.778 501 A N 0.900 123.707 122.820 -0.022 0.000 2.577 501 A HA 0.061 4.371 4.320 -0.016 0.000 0.233 501 A C 0.722 178.294 177.584 -0.020 0.000 1.076 501 A CA 0.462 52.490 52.037 -0.016 0.000 0.767 501 A CB -0.251 18.738 19.000 -0.020 0.000 1.017 501 A HN 0.132 nan 8.150 nan 0.000 0.511 502 K N 0.525 120.920 120.400 -0.008 0.000 2.240 502 K HA 0.376 4.686 4.320 -0.016 0.000 0.237 502 K C 0.329 176.900 176.600 -0.048 0.000 1.027 502 K CA -0.915 55.365 56.287 -0.011 0.000 0.937 502 K CB 0.243 32.762 32.500 0.030 0.000 1.171 502 K HN 0.726 nan 8.250 nan 0.000 0.479 503 M N 3.141 122.687 119.600 -0.089 0.000 2.269 503 M HA -0.019 4.452 4.480 -0.016 0.000 0.350 503 M C 0.031 176.179 176.300 -0.253 0.000 1.429 503 M CA 0.226 55.365 55.300 -0.268 0.000 1.063 503 M CB -0.363 31.979 32.600 -0.430 0.000 1.841 503 M HN 0.517 nan 8.290 nan 0.000 0.455 504 N N 3.905 122.387 118.700 -0.363 0.000 2.430 504 N HA 0.603 5.333 4.740 -0.016 0.000 0.298 504 N C -1.375 173.803 175.510 -0.553 0.000 1.130 504 N CA -0.339 52.597 53.050 -0.190 0.000 0.894 504 N CB 1.121 39.573 38.487 -0.059 0.000 1.209 504 N HN 0.334 nan 8.380 nan 0.000 0.503 505 F N -0.794 119.097 119.950 -0.098 0.000 2.639 505 F HA 0.516 5.033 4.527 -0.016 0.000 0.339 505 F C 0.742 176.399 175.800 -0.238 0.000 1.071 505 F CA -1.136 56.711 58.000 -0.255 0.000 0.994 505 F CB 1.788 40.508 39.000 -0.466 0.000 1.341 505 F HN 0.467 nan 8.300 nan 0.000 0.498 506 S N 0.509 116.142 115.700 -0.110 0.000 2.596 506 S HA 0.527 4.987 4.470 -0.016 0.000 0.318 506 S C -1.583 172.938 174.600 -0.131 0.000 1.097 506 S CA -0.439 57.737 58.200 -0.039 0.000 1.080 506 S CB -0.103 63.096 63.200 -0.003 0.000 0.991 506 S HN 0.426 nan 8.310 nan 0.000 0.471 507 Y N 2.566 122.932 120.300 0.110 0.000 2.313 507 Y HA 0.606 5.147 4.550 -0.016 0.000 0.332 507 Y C 1.162 177.097 175.900 0.059 0.000 1.071 507 Y CA 0.009 58.162 58.100 0.088 0.000 1.169 507 Y CB 1.836 40.332 38.460 0.061 0.000 1.192 507 Y HN 0.972 nan 8.280 nan 0.000 0.487 508 G N 3.685 112.584 108.800 0.164 0.000 2.509 508 G HA2 0.294 4.245 3.960 -0.016 0.000 0.216 508 G HA3 0.294 4.245 3.960 -0.016 0.000 0.216 508 G C -0.657 174.308 174.900 0.109 0.000 3.092 508 G CA -0.267 44.902 45.100 0.114 0.000 0.700 508 G HN 0.653 nan 8.290 nan 0.000 0.451 509 L N 0.013 121.288 121.223 0.086 0.000 3.639 509 L HA -0.220 4.111 4.340 -0.016 0.000 0.053 509 L C 1.460 178.376 176.870 0.076 0.000 4.336 509 L CA 4.023 58.917 54.840 0.089 0.000 0.628 509 L CB -1.307 40.853 42.059 0.168 0.000 3.503 509 L HN 1.659 nan 8.230 nan 0.000 0.874 510 T N -0.283 114.347 114.554 0.128 0.000 2.928 510 T HA 0.652 4.993 4.350 -0.016 0.000 0.284 510 T C 0.420 175.209 174.700 0.148 0.000 1.008 510 T CA -0.349 61.854 62.100 0.171 0.000 1.057 510 T CB 1.238 70.258 68.868 0.254 0.000 1.018 510 T HN 0.410 nan 8.240 nan 0.000 0.493 511 I N 2.427 123.110 120.570 0.189 0.000 2.276 511 I HA 0.242 4.402 4.170 -0.016 0.000 0.290 511 I C 0.433 176.772 176.117 0.370 0.000 1.109 511 I CA -0.639 60.746 61.300 0.142 0.000 1.229 511 I CB 0.292 38.344 38.000 0.087 0.000 1.452 511 I HN 0.515 nan 8.210 nan 0.000 0.497 512 K N 7.056 127.572 120.400 0.192 0.000 2.234 512 K HA 0.363 4.673 4.320 -0.016 0.000 0.282 512 K C -2.465 174.145 176.600 0.017 0.000 1.039 512 K CA -1.575 54.792 56.287 0.134 0.000 0.928 512 K CB 0.791 33.318 32.500 0.044 0.000 1.039 512 K HN 0.151 nan 8.250 nan 0.000 0.470 513 P HA 0.029 nan 4.420 nan 0.000 0.271 513 P C -0.602 176.472 177.300 -0.377 0.000 1.216 513 P CA -0.144 62.592 63.100 -0.608 0.000 0.771 513 P CB 0.666 31.943 31.700 -0.705 0.000 0.864 514 K N 1.193 121.308 120.400 -0.476 0.000 2.118 514 K HA 0.194 4.505 4.320 -0.016 0.000 0.240 514 K C 0.654 177.176 176.600 -0.131 0.000 1.035 514 K CA -0.392 55.752 56.287 -0.238 0.000 0.899 514 K CB 0.155 32.520 32.500 -0.224 0.000 1.085 514 K HN 0.337 nan 8.250 nan 0.000 0.498 515 S N 0.465 116.117 115.700 -0.081 0.000 2.643 515 S HA 0.025 4.486 4.470 -0.016 0.000 0.310 515 S C -0.569 174.061 174.600 0.049 0.000 1.253 515 S CA 0.248 58.419 58.200 -0.047 0.000 1.047 515 S CB -0.657 62.503 63.200 -0.068 0.000 0.767 515 S HN 0.432 nan 8.310 nan 0.000 0.498 516 F N 1.990 121.843 119.950 -0.162 0.000 2.690 516 F HA 0.627 5.144 4.527 -0.016 0.000 0.311 516 F C -1.446 174.308 175.800 -0.077 0.000 1.111 516 F CA -1.157 56.756 58.000 -0.145 0.000 1.003 516 F CB 0.938 39.817 39.000 -0.201 0.000 1.283 516 F HN 0.393 nan 8.300 nan 0.000 0.442 517 K N 3.486 123.863 120.400 -0.039 0.000 2.221 517 K HA 0.766 5.076 4.320 -0.016 0.000 0.258 517 K C -1.475 175.253 176.600 0.213 0.000 0.944 517 K CA -1.256 55.007 56.287 -0.042 0.000 0.823 517 K CB 2.935 35.455 32.500 0.032 0.000 1.113 517 K HN 0.615 nan 8.250 nan 0.000 0.431 518 V N 1.916 121.942 119.914 0.186 0.000 3.046 518 V HA 0.424 4.534 4.120 -0.016 0.000 0.316 518 V C -1.269 174.917 176.094 0.153 0.000 1.104 518 V CA -0.811 61.669 62.300 0.300 0.000 1.006 518 V CB 2.075 34.034 31.823 0.227 0.000 1.058 518 V HN 0.894 nan 8.190 nan 0.000 0.440 519 N N 3.355 122.023 118.700 -0.053 0.000 2.399 519 N HA 0.497 5.228 4.740 -0.016 0.000 0.280 519 N C -1.794 173.611 175.510 -0.175 0.000 1.008 519 N CA -0.197 52.621 53.050 -0.387 0.000 0.894 519 N CB 1.997 39.880 38.487 -1.006 0.000 1.273 519 N HN 0.420 nan 8.380 nan 0.000 0.486 520 V N 2.404 122.224 119.914 -0.157 0.000 2.495 520 V HA 0.539 4.650 4.120 -0.016 0.000 0.298 520 V C 0.191 176.155 176.094 -0.217 0.000 1.031 520 V CA -0.589 61.587 62.300 -0.206 0.000 0.871 520 V CB 1.476 33.215 31.823 -0.140 0.000 0.988 520 V HN 0.808 nan 8.190 nan 0.000 0.432 521 T N 2.117 116.516 114.554 -0.259 0.000 2.907 521 T HA 0.744 5.085 4.350 -0.016 0.000 0.292 521 T C -0.679 173.895 174.700 -0.210 0.000 1.043 521 T CA -0.752 61.230 62.100 -0.197 0.000 1.003 521 T CB 1.618 70.388 68.868 -0.164 0.000 1.084 521 T HN 0.342 nan 8.240 nan 0.000 0.483 522 L N 2.493 123.624 121.223 -0.153 0.000 2.331 522 L HA 0.402 4.733 4.340 -0.016 0.000 0.278 522 L C 1.812 178.603 176.870 -0.131 0.000 1.106 522 L CA -0.786 53.972 54.840 -0.136 0.000 0.824 522 L CB 0.999 43.000 42.059 -0.095 0.000 1.142 522 L HN 0.746 nan 8.230 nan 0.000 0.443 523 R N 1.435 121.848 120.500 -0.145 0.000 2.115 523 R HA 0.044 4.374 4.340 -0.016 0.000 0.226 523 R C -0.039 176.195 176.300 -0.109 0.000 1.100 523 R CA 0.946 56.965 56.100 -0.134 0.000 0.980 523 R CB 0.180 30.383 30.300 -0.160 0.000 0.875 523 R HN 0.647 nan 8.270 nan 0.000 0.445 524 E N -1.255 118.882 120.200 -0.105 0.000 2.447 524 E HA 0.135 4.476 4.350 -0.016 0.000 0.279 524 E C -1.424 175.140 176.600 -0.060 0.000 1.053 524 E CA -0.619 55.735 56.400 -0.077 0.000 0.840 524 E CB 1.749 31.403 29.700 -0.076 0.000 1.409 524 E HN -0.116 nan 8.360 nan 0.000 0.461 525 S N 0.844 116.519 115.700 -0.042 0.000 2.561 525 S HA -0.006 4.455 4.470 -0.016 0.000 0.294 525 S C 0.366 174.954 174.600 -0.020 0.000 1.294 525 S CA -0.018 58.165 58.200 -0.028 0.000 1.055 525 S CB 0.105 63.294 63.200 -0.019 0.000 0.819 525 S HN 0.320 nan 8.310 nan 0.000 0.503 526 M N 4.192 123.784 119.600 -0.013 0.000 2.435 526 M HA 0.059 4.530 4.480 -0.016 0.000 0.338 526 M C 1.232 177.538 176.300 0.010 0.000 1.628 526 M CA 0.402 55.702 55.300 -0.000 0.000 1.215 526 M CB -0.144 32.457 32.600 0.001 0.000 1.905 526 M HN 0.839 nan 8.290 nan 0.000 0.457 527 E N 3.153 123.366 120.200 0.022 0.000 2.498 527 E HA 0.090 4.431 4.350 -0.016 0.000 0.203 527 E C 0.834 177.456 176.600 0.037 0.000 1.013 527 E CA -0.009 56.409 56.400 0.030 0.000 0.927 527 E CB 0.147 29.872 29.700 0.042 0.000 1.012 527 E HN 0.740 nan 8.360 nan 0.000 0.482 528 L N 0.780 122.025 121.223 0.038 0.000 2.313 528 L HA 0.108 4.438 4.340 -0.016 0.000 0.214 528 L C 1.122 178.011 176.870 0.033 0.000 1.119 528 L CA 0.218 55.083 54.840 0.042 0.000 0.809 528 L CB -0.028 42.060 42.059 0.048 0.000 0.933 528 L HN 0.262 nan 8.230 nan 0.000 0.449 529 L N 1.837 123.075 121.223 0.026 0.000 2.574 529 L HA 0.002 4.332 4.340 -0.016 0.000 0.281 529 L C -0.129 176.753 176.870 0.020 0.000 1.212 529 L CA 0.030 54.883 54.840 0.022 0.000 1.082 529 L CB -1.309 40.760 42.059 0.016 0.000 1.362 529 L HN 0.240 nan 8.230 nan 0.000 0.451 530 D N 0.000 120.413 120.400 0.022 0.000 6.856 530 D HA 0.000 4.631 4.640 -0.016 0.000 0.175 530 D CA 0.000 54.011 54.000 0.018 0.000 0.868 530 D CB 0.000 40.809 40.800 0.015 0.000 0.688 530 D HN 0.000 nan 8.370 nan 0.000 0.683