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 1oqz_1_B DATA FIRST_RESID 6 DATA SEQUENCE PQAPIAAYKP RSNEILWDGY GVPHIYGVDA PSAFYGYGWA QARSHGDNIL DATA SEQUENCE RLYGEARGKG AEYWGPDYEQ TTVWLLTNGV PERAQQWYAQ QSPDFRANLD DATA SEQUENCE AFAAGINAYA QQNPDDISPD VRQVLPVSGA DVVAHAHRLM NFLYVASPGR DATA SEQUENCE TLGEGDPPDL ADQGSNSWAV APGKTANGNA LLLQNPHLSW TTDYFTYYEA DATA SEQUENCE HLVTPDFEIY GATQIGLPVI RFAFNQRMGI TNTVNGMVGA TNYRLTLQDG DATA SEQUENCE GYLYDGQVRP FERPQASYRL RQADGTTVDK PLEIRSSVHG PVFERADGTA DATA SEQUENCE VAVRVAGLDR PGMLEQYFDM ITADSFDDYE AALARMQVPT FNIVYADREG DATA SEQUENCE TINYSFNGVA PKRAEGDIAF WQGLVPGDSS RYLWTETHPL DDLPRVTNPP DATA SEQUENCE GGFVQNSNDP PWTPTWPVTY TPKDFPSYLA PQTPHSLRAQ QSVRLMSEND DATA SEQUENCE DLTLERFMAL QLSHRAVMAD RTLPDLIPAA LIDPDPEVQA AARLLAAWDR DATA SEQUENCE EFTSDSRAAL LFEEWARLFA GQNFAGQAGF ATPWSLDKPV STPYGVRDPK DATA SEQUENCE AAVDQLRTAI ANTKRKYGAI DRPFGDASRM ILNDVNVPGA AGYGNLGSFR DATA SEQUENCE VFTWSDPDEN GVRTPVHGET WVAMIEFSTP VRAYGLMSYG NSRQPGTTHY DATA SEQUENCE SDQIERVSRA DFRELLLRRE QVEAAVQERT PFNFKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.025 0.000 1.155 6 P CA 0.000 63.113 63.100 0.021 0.000 0.800 6 P CB 0.000 31.715 31.700 0.025 0.000 0.726 7 Q N 0.799 120.614 119.800 0.025 0.000 2.300 7 Q HA -0.004 4.131 4.340 -0.341 0.000 0.352 7 Q C 0.141 176.159 176.000 0.031 0.000 1.238 7 Q CA 1.584 57.403 55.803 0.027 0.000 1.080 7 Q CB -1.878 26.873 28.738 0.022 0.000 1.325 7 Q HN 0.651 nan 8.270 nan 0.000 0.423 8 A N -0.306 122.536 122.820 0.036 0.000 2.475 8 A HA 0.510 4.625 4.320 -0.341 0.000 0.300 8 A C -2.580 175.032 177.584 0.047 0.000 1.089 8 A CA -1.264 50.797 52.037 0.040 0.000 0.948 8 A CB 0.870 19.890 19.000 0.034 0.000 1.508 8 A HN 0.045 nan 8.150 nan 0.000 0.385 9 P HA 0.220 nan 4.420 nan 0.000 0.267 9 P C 0.523 177.862 177.300 0.065 0.000 1.195 9 P CA -0.051 63.090 63.100 0.068 0.000 0.773 9 P CB 0.302 32.051 31.700 0.081 0.000 0.837 10 I N -1.313 119.298 120.570 0.068 0.000 2.813 10 I HA 0.330 4.295 4.170 -0.341 0.000 0.287 10 I C 0.416 176.578 176.117 0.076 0.000 1.196 10 I CA -0.985 60.355 61.300 0.066 0.000 1.421 10 I CB 0.169 38.209 38.000 0.067 0.000 1.365 10 I HN 0.268 nan 8.210 nan 0.000 0.591 11 A N 4.596 127.458 122.820 0.070 0.000 2.561 11 A HA 0.418 4.534 4.320 -0.341 0.000 0.234 11 A C 0.628 178.272 177.584 0.099 0.000 1.055 11 A CA 0.230 52.310 52.037 0.073 0.000 0.756 11 A CB -0.296 18.740 19.000 0.060 0.000 0.986 11 A HN 1.163 nan 8.150 nan 0.000 0.505 12 A N 1.696 124.574 122.820 0.097 0.000 2.371 12 A HA 0.491 4.606 4.320 -0.341 0.000 0.257 12 A C -0.102 177.568 177.584 0.144 0.000 1.089 12 A CA -0.289 51.824 52.037 0.127 0.000 0.794 12 A CB -0.007 19.056 19.000 0.105 0.000 1.029 12 A HN 1.059 nan 8.150 nan 0.000 0.488 13 Y N 1.666 122.011 120.300 0.075 0.000 2.411 13 Y HA 0.322 4.667 4.550 -0.341 0.000 0.333 13 Y C 0.070 176.005 175.900 0.058 0.000 1.186 13 Y CA 0.246 58.391 58.100 0.076 0.000 1.381 13 Y CB 0.775 39.313 38.460 0.130 0.000 1.273 13 Y HN 0.447 nan 8.280 nan 0.000 0.546 14 K N 7.860 127.819 120.400 -0.735 0.000 2.473 14 K HA 0.326 4.441 4.320 -0.341 0.000 0.246 14 K C -2.767 173.439 176.600 -0.657 0.000 1.011 14 K CA -2.087 53.910 56.287 -0.483 0.000 0.984 14 K CB 1.042 33.363 32.500 -0.298 0.000 1.250 14 K HN 0.490 nan 8.250 nan 0.000 0.454 15 P HA 0.164 nan 4.420 nan 0.000 0.264 15 P C 0.361 177.607 177.300 -0.091 0.000 1.193 15 P CA 0.036 63.115 63.100 -0.035 0.000 0.763 15 P CB 0.674 32.482 31.700 0.180 0.000 0.810 16 R N 0.941 121.394 120.500 -0.079 0.000 2.365 16 R HA 0.188 4.323 4.340 -0.341 0.000 0.223 16 R C 0.326 176.591 176.300 -0.058 0.000 0.899 16 R CA 0.251 56.307 56.100 -0.073 0.000 1.059 16 R CB 0.356 30.608 30.300 -0.079 0.000 1.086 16 R HN 0.580 nan 8.270 nan 0.000 0.522 17 S N -0.281 115.385 115.700 -0.056 0.000 2.550 17 S HA 0.378 4.643 4.470 -0.341 0.000 0.270 17 S C -1.198 173.312 174.600 -0.151 0.000 1.145 17 S CA -1.193 56.946 58.200 -0.101 0.000 0.852 17 S CB 1.825 64.968 63.200 -0.096 0.000 1.119 17 S HN -0.086 nan 8.310 nan 0.000 0.465 18 N N 2.394 120.896 118.700 -0.330 0.000 2.472 18 N HA 0.471 5.007 4.740 -0.341 0.000 0.277 18 N C -0.498 174.587 175.510 -0.710 0.000 1.081 18 N CA -0.187 52.452 53.050 -0.685 0.000 0.973 18 N CB 0.871 38.529 38.487 -1.382 0.000 1.105 18 N HN 0.872 nan 8.380 nan 0.000 0.470 19 E N 0.801 120.836 120.200 -0.276 0.000 2.400 19 E HA 0.343 4.488 4.350 -0.341 0.000 0.285 19 E C -1.474 175.321 176.600 0.325 0.000 1.005 19 E CA -0.658 55.775 56.400 0.055 0.000 0.816 19 E CB 0.785 30.483 29.700 -0.002 0.000 1.220 19 E HN 0.303 nan 8.360 nan 0.000 0.426 20 I N 2.852 123.616 120.570 0.323 0.000 2.339 20 I HA 0.303 4.268 4.170 -0.341 0.000 0.290 20 I C -0.449 175.753 176.117 0.142 0.000 0.994 20 I CA -0.968 60.428 61.300 0.160 0.000 1.191 20 I CB 1.139 39.157 38.000 0.030 0.000 1.343 20 I HN 0.386 nan 8.210 nan 0.000 0.458 21 L N 6.045 127.338 121.223 0.117 0.000 2.276 21 L HA 0.373 4.508 4.340 -0.341 0.000 0.286 21 L C -1.149 175.822 176.870 0.170 0.000 1.024 21 L CA -0.525 54.431 54.840 0.192 0.000 0.826 21 L CB 0.602 42.764 42.059 0.172 0.000 1.211 21 L HN 0.510 nan 8.230 nan 0.000 0.422 22 W N 2.208 123.631 121.300 0.205 0.000 2.365 22 W HA 0.317 4.772 4.660 -0.342 0.000 0.316 22 W C 0.461 177.089 176.519 0.181 0.000 1.164 22 W CA -0.461 56.993 57.345 0.182 0.000 1.204 22 W CB 0.803 30.336 29.460 0.122 0.000 1.213 22 W HN 0.457 nan 8.180 nan 0.000 0.539 23 D N 0.060 120.706 120.400 0.409 0.000 2.432 23 D HA 0.293 4.728 4.640 -0.341 0.000 0.258 23 D C 1.486 177.937 176.300 0.253 0.000 1.146 23 D CA -0.676 53.516 54.000 0.320 0.000 1.015 23 D CB 0.266 41.287 40.800 0.369 0.000 1.107 23 D HN 0.495 nan 8.370 nan 0.000 0.529 24 G N -1.355 107.552 108.800 0.179 0.000 2.564 24 G HA2 -0.238 3.517 3.960 -0.341 0.000 0.216 24 G HA3 -0.238 3.517 3.960 -0.341 0.000 0.216 24 G C 0.558 175.461 174.900 0.005 0.000 1.124 24 G CA 0.563 45.694 45.100 0.051 0.000 0.764 24 G HN 0.527 nan 8.290 nan 0.000 0.550 25 Y N -0.679 119.730 120.300 0.183 0.000 2.507 25 Y HA 0.371 4.717 4.550 -0.341 0.000 0.254 25 Y C 1.853 177.633 175.900 -0.199 0.000 1.171 25 Y CA -0.077 58.133 58.100 0.182 0.000 1.238 25 Y CB 0.778 39.349 38.460 0.184 0.000 1.148 25 Y HN 0.207 nan 8.280 nan 0.000 0.525 26 G N 0.431 108.989 108.800 -0.403 0.000 2.136 26 G HA2 -0.257 3.499 3.960 -0.341 0.000 0.242 26 G HA3 -0.257 3.499 3.960 -0.341 0.000 0.242 26 G C -0.299 174.724 174.900 0.205 0.000 0.989 26 G CA 0.140 45.027 45.100 -0.354 0.000 0.682 26 G HN 0.101 nan 8.290 nan 0.000 0.522 27 V N 3.028 123.033 119.914 0.152 0.000 2.385 27 V HA 0.450 4.365 4.120 -0.341 0.000 0.269 27 V C -1.312 174.649 176.094 -0.222 0.000 1.043 27 V CA -1.250 61.014 62.300 -0.060 0.000 0.906 27 V CB 1.502 33.308 31.823 -0.028 0.000 0.995 27 V HN 0.275 nan 8.190 nan 0.000 0.467 28 P HA 0.281 nan 4.420 nan 0.000 0.292 28 P C -0.892 175.962 177.300 -0.743 0.000 1.287 28 P CA -0.346 62.187 63.100 -0.945 0.000 0.800 28 P CB 0.818 31.738 31.700 -1.301 0.000 0.945 29 H N 3.840 122.695 119.070 -0.357 0.000 2.683 29 H HA 0.302 4.654 4.556 -0.341 0.000 0.270 29 H C -0.026 175.117 175.328 -0.307 0.000 1.201 29 H CA -0.588 55.310 56.048 -0.250 0.000 1.277 29 H CB 0.296 30.094 29.762 0.061 0.000 1.400 29 H HN 0.286 nan 8.280 nan 0.000 0.504 30 I N 3.779 124.120 120.570 -0.381 0.000 2.379 30 I HA 0.022 3.987 4.170 -0.341 0.000 0.290 30 I C -0.276 175.643 176.117 -0.330 0.000 1.063 30 I CA -0.037 61.141 61.300 -0.205 0.000 1.351 30 I CB -0.108 37.793 38.000 -0.166 0.000 1.410 30 I HN 0.301 nan 8.210 nan 0.000 0.505 31 Y N 4.734 125.039 120.300 0.008 0.000 2.328 31 Y HA 0.708 5.053 4.550 -0.341 0.000 0.337 31 Y C 0.729 176.655 175.900 0.042 0.000 0.966 31 Y CA -0.808 57.288 58.100 -0.007 0.000 1.136 31 Y CB 1.854 40.320 38.460 0.009 0.000 1.170 31 Y HN 0.610 nan 8.280 nan 0.000 0.470 32 G N 0.600 109.475 108.800 0.124 0.000 2.542 32 G HA2 0.440 4.195 3.960 -0.341 0.000 0.311 32 G HA3 0.440 4.195 3.960 -0.341 0.000 0.311 32 G C 0.379 175.314 174.900 0.059 0.000 1.298 32 G CA -0.885 44.289 45.100 0.125 0.000 0.973 32 G HN 0.666 nan 8.290 nan 0.000 0.487 33 V N -1.429 118.512 119.914 0.044 0.000 3.305 33 V HA 0.200 4.116 4.120 -0.341 0.000 0.269 33 V C 0.351 176.478 176.094 0.056 0.000 1.157 33 V CA 1.345 63.663 62.300 0.029 0.000 1.157 33 V CB -1.671 30.159 31.823 0.010 0.000 0.772 33 V HN 0.760 nan 8.190 nan 0.000 0.498 34 D N -3.077 117.383 120.400 0.100 0.000 2.665 34 D HA 0.647 5.082 4.640 -0.341 0.000 0.287 34 D C 0.740 177.167 176.300 0.211 0.000 1.266 34 D CA -0.066 54.020 54.000 0.143 0.000 0.830 34 D CB 1.085 41.986 40.800 0.169 0.000 1.356 34 D HN 0.076 nan 8.370 nan 0.000 0.437 35 A N -0.361 122.647 122.820 0.314 0.000 1.865 35 A HA 0.010 4.125 4.320 -0.341 0.000 0.217 35 A C -0.634 177.242 177.584 0.486 0.000 1.191 35 A CA 2.154 54.507 52.037 0.527 0.000 0.623 35 A CB -1.903 17.420 19.000 0.538 0.000 0.826 35 A HN 0.605 nan 8.150 nan 0.000 0.444 36 P HA -0.119 nan 4.420 nan 0.000 0.215 36 P C 1.782 179.148 177.300 0.110 0.000 1.157 36 P CA 1.884 65.111 63.100 0.212 0.000 0.874 36 P CB -0.156 31.751 31.700 0.346 0.000 0.790 37 S N -0.689 115.161 115.700 0.249 0.000 2.374 37 S HA -0.214 4.051 4.470 -0.341 0.000 0.227 37 S C 2.007 176.840 174.600 0.388 0.000 1.037 37 S CA 1.548 59.950 58.200 0.337 0.000 1.024 37 S CB -1.125 62.297 63.200 0.370 0.000 0.861 37 S HN 0.151 nan 8.310 nan 0.000 0.456 38 A N 0.852 123.862 122.820 0.317 0.000 1.858 38 A HA -0.036 4.079 4.320 -0.341 0.000 0.216 38 A C 1.853 179.558 177.584 0.201 0.000 1.190 38 A CA 1.413 53.583 52.037 0.222 0.000 0.617 38 A CB -1.025 18.057 19.000 0.136 0.000 0.827 38 A HN 0.459 nan 8.150 nan 0.000 0.443 39 F N -1.629 118.437 119.950 0.194 0.000 2.161 39 F HA -0.193 4.130 4.527 -0.341 0.000 0.300 39 F C 2.204 178.115 175.800 0.185 0.000 1.089 39 F CA 1.780 59.936 58.000 0.260 0.000 1.282 39 F CB -0.745 38.339 39.000 0.140 0.000 1.010 39 F HN 0.445 nan 8.300 nan 0.000 0.485 40 Y N 0.622 120.911 120.300 -0.018 0.000 2.097 40 Y HA -0.157 4.188 4.550 -0.341 0.000 0.282 40 Y C 2.536 178.288 175.900 -0.246 0.000 1.152 40 Y CA 1.706 59.647 58.100 -0.266 0.000 1.136 40 Y CB -1.016 37.079 38.460 -0.610 0.000 0.975 40 Y HN -0.005 nan 8.280 nan 0.000 0.498 41 G N -1.137 107.506 108.800 -0.262 0.000 2.432 41 G HA2 -0.334 3.421 3.960 -0.341 0.000 0.219 41 G HA3 -0.334 3.421 3.960 -0.341 0.000 0.219 41 G C 1.541 176.396 174.900 -0.075 0.000 1.135 41 G CA 0.985 45.807 45.100 -0.464 0.000 0.767 41 G HN 0.521 nan 8.290 nan 0.000 0.550 42 Y N 2.137 122.368 120.300 -0.114 0.000 2.200 42 Y HA -0.010 4.335 4.550 -0.342 0.000 0.290 42 Y C 2.711 178.550 175.900 -0.101 0.000 1.137 42 Y CA 0.949 59.046 58.100 -0.004 0.000 1.163 42 Y CB -0.765 37.758 38.460 0.105 0.000 0.988 42 Y HN 0.125 nan 8.280 nan 0.000 0.518 43 G N -1.307 107.243 108.800 -0.417 0.000 2.402 43 G HA2 -0.324 3.431 3.960 -0.341 0.000 0.216 43 G HA3 -0.324 3.431 3.960 -0.341 0.000 0.216 43 G C 1.632 176.175 174.900 -0.594 0.000 1.162 43 G CA 0.629 45.039 45.100 -1.150 0.000 0.777 43 G HN 0.593 nan 8.290 nan 0.000 0.539 44 W N 1.682 122.628 121.300 -0.590 0.000 2.335 44 W HA -0.010 4.446 4.660 -0.342 0.000 0.311 44 W C 2.836 179.183 176.519 -0.286 0.000 1.213 44 W CA 2.395 59.489 57.345 -0.418 0.000 1.274 44 W CB -0.090 29.096 29.460 -0.455 0.000 1.148 44 W HN 0.263 nan 8.180 nan 0.000 0.498 45 A N -0.141 122.828 122.820 0.248 0.000 1.858 45 A HA -0.294 3.822 4.320 -0.341 0.000 0.216 45 A C 1.894 179.489 177.584 0.018 0.000 1.190 45 A CA 2.032 54.294 52.037 0.374 0.000 0.617 45 A CB -1.087 18.068 19.000 0.258 0.000 0.827 45 A HN 0.505 nan 8.150 nan 0.000 0.443 46 Q N -0.891 118.782 119.800 -0.212 0.000 2.096 46 Q HA -0.163 3.972 4.340 -0.341 0.000 0.204 46 Q C 2.458 178.112 176.000 -0.577 0.000 0.982 46 Q CA 1.448 56.919 55.803 -0.553 0.000 0.850 46 Q CB -0.384 28.052 28.738 -0.504 0.000 0.901 46 Q HN 0.695 nan 8.270 nan 0.000 0.422 47 A N 1.221 123.669 122.820 -0.620 0.000 1.933 47 A HA -0.221 3.894 4.320 -0.341 0.000 0.218 47 A C 2.025 179.007 177.584 -1.005 0.000 1.175 47 A CA 1.529 53.163 52.037 -0.673 0.000 0.628 47 A CB -0.519 18.137 19.000 -0.574 0.000 0.814 47 A HN 0.241 nan 8.150 nan 0.000 0.444 48 R N -0.370 119.261 120.500 -1.448 0.000 2.090 48 R HA -0.062 4.074 4.340 -0.341 0.000 0.228 48 R C 1.965 177.828 176.300 -0.729 0.000 1.110 48 R CA 1.721 56.851 56.100 -1.616 0.000 0.973 48 R CB -0.176 29.267 30.300 -1.429 0.000 0.869 48 R HN 0.493 nan 8.270 nan 0.000 0.440 49 S N -0.714 114.662 115.700 -0.540 0.000 2.425 49 S HA 0.030 4.295 4.470 -0.341 0.000 0.225 49 S C 0.578 174.671 174.600 -0.845 0.000 1.024 49 S CA 0.459 58.346 58.200 -0.521 0.000 0.951 49 S CB 0.185 63.203 63.200 -0.304 0.000 0.796 49 S HN 0.469 nan 8.310 nan 0.000 0.498 50 H N -0.606 118.206 119.070 -0.429 0.000 2.904 50 H HA 0.279 4.631 4.556 -0.341 0.000 0.242 50 H C 1.621 176.727 175.328 -0.370 0.000 1.193 50 H CA 0.173 56.001 56.048 -0.367 0.000 0.946 50 H CB -0.099 29.427 29.762 -0.393 0.000 2.135 50 H HN 0.358 nan 8.280 nan 0.000 0.652 51 G N 1.295 109.904 108.800 -0.318 0.000 2.529 51 G HA2 -0.316 3.440 3.960 -0.341 0.000 0.219 51 G HA3 -0.316 3.440 3.960 -0.341 0.000 0.219 51 G C 1.271 176.034 174.900 -0.229 0.000 1.177 51 G CA 1.217 46.144 45.100 -0.288 0.000 0.773 51 G HN 0.259 nan 8.290 nan 0.000 0.573 52 D N 0.585 120.872 120.400 -0.189 0.000 2.137 52 D HA -0.130 4.305 4.640 -0.341 0.000 0.189 52 D C 2.357 178.534 176.300 -0.204 0.000 0.998 52 D CA 1.304 55.199 54.000 -0.176 0.000 0.839 52 D CB -0.717 39.985 40.800 -0.163 0.000 0.962 52 D HN 0.454 nan 8.370 nan 0.000 0.446 53 N N -0.184 118.398 118.700 -0.196 0.000 2.223 53 N HA -0.054 4.481 4.740 -0.341 0.000 0.185 53 N C 1.981 177.351 175.510 -0.233 0.000 1.016 53 N CA 0.210 53.138 53.050 -0.204 0.000 0.863 53 N CB 0.074 38.459 38.487 -0.170 0.000 0.983 53 N HN 0.160 nan 8.380 nan 0.000 0.429 54 I N 1.023 121.417 120.570 -0.294 0.000 2.202 54 I HA -0.247 3.718 4.170 -0.341 0.000 0.242 54 I C 2.013 177.833 176.117 -0.495 0.000 1.091 54 I CA 0.990 62.014 61.300 -0.460 0.000 1.368 54 I CB -0.169 37.504 38.000 -0.545 0.000 1.058 54 I HN 0.148 nan 8.210 nan 0.000 0.410 55 L N 0.159 121.179 121.223 -0.339 0.000 2.046 55 L HA -0.220 3.915 4.340 -0.341 0.000 0.208 55 L C 2.767 179.640 176.870 0.005 0.000 1.077 55 L CA 1.331 56.066 54.840 -0.174 0.000 0.747 55 L CB -0.561 41.424 42.059 -0.122 0.000 0.896 55 L HN 0.214 nan 8.230 nan 0.000 0.432 56 R N 0.348 120.789 120.500 -0.099 0.000 2.092 56 R HA -0.140 3.995 4.340 -0.341 0.000 0.231 56 R C 2.340 178.685 176.300 0.076 0.000 1.119 56 R CA 1.192 57.188 56.100 -0.175 0.000 0.970 56 R CB -0.122 29.833 30.300 -0.575 0.000 0.864 56 R HN 0.294 nan 8.270 nan 0.000 0.440 57 L N -0.708 120.536 121.223 0.035 0.000 2.056 57 L HA -0.189 3.946 4.340 -0.341 0.000 0.207 57 L C 2.065 179.135 176.870 0.334 0.000 1.078 57 L CA 1.388 56.322 54.840 0.156 0.000 0.749 57 L CB -0.443 41.598 42.059 -0.030 0.000 0.901 57 L HN 0.331 nan 8.230 nan 0.000 0.433 58 Y N -0.466 119.855 120.300 0.035 0.000 2.352 58 Y HA -0.178 4.167 4.550 -0.342 0.000 0.292 58 Y C 2.505 178.525 175.900 0.200 0.000 1.136 58 Y CA 0.198 58.358 58.100 0.100 0.000 1.227 58 Y CB -0.285 38.207 38.460 0.054 0.000 0.991 58 Y HN 0.240 nan 8.280 nan 0.000 0.545 59 G N 0.079 109.169 108.800 0.484 0.000 2.402 59 G HA2 -0.206 3.549 3.960 -0.341 0.000 0.216 59 G HA3 -0.206 3.549 3.960 -0.341 0.000 0.216 59 G C 1.315 176.474 174.900 0.432 0.000 1.162 59 G CA 0.762 46.211 45.100 0.582 0.000 0.777 59 G HN 0.369 nan 8.290 nan 0.000 0.539 60 E N 0.601 121.086 120.200 0.475 0.000 2.047 60 E HA -0.033 4.112 4.350 -0.341 0.000 0.191 60 E C 2.925 179.641 176.600 0.193 0.000 0.987 60 E CA 0.726 57.333 56.400 0.344 0.000 0.799 60 E CB -0.217 29.708 29.700 0.375 0.000 0.752 60 E HN 0.373 nan 8.360 nan 0.000 0.449 61 A N 1.254 124.200 122.820 0.208 0.000 2.076 61 A HA -0.198 3.918 4.320 -0.341 0.000 0.220 61 A C 2.041 179.649 177.584 0.041 0.000 1.160 61 A CA 1.321 53.428 52.037 0.117 0.000 0.653 61 A CB -0.396 18.697 19.000 0.156 0.000 0.801 61 A HN 0.026 nan 8.150 nan 0.000 0.455 62 R N -1.608 118.932 120.500 0.066 0.000 2.276 62 R HA 0.156 4.291 4.340 -0.341 0.000 0.203 62 R C 1.316 177.587 176.300 -0.048 0.000 1.017 62 R CA 0.843 56.949 56.100 0.010 0.000 1.010 62 R CB -0.145 30.187 30.300 0.053 0.000 0.900 62 R HN 0.720 nan 8.270 nan 0.000 0.469 63 G N 0.391 109.165 108.800 -0.044 0.000 2.143 63 G HA2 -0.301 3.454 3.960 -0.341 0.000 0.249 63 G HA3 -0.301 3.454 3.960 -0.341 0.000 0.249 63 G C 0.396 175.202 174.900 -0.156 0.000 0.981 63 G CA 0.413 45.455 45.100 -0.098 0.000 0.665 63 G HN 0.362 nan 8.290 nan 0.000 0.528 64 K N 0.165 120.442 120.400 -0.205 0.000 2.498 64 K HA 0.334 4.449 4.320 -0.341 0.000 0.207 64 K C 2.216 178.491 176.600 -0.542 0.000 1.033 64 K CA 0.265 56.257 56.287 -0.491 0.000 1.138 64 K CB 0.454 32.431 32.500 -0.872 0.000 0.860 64 K HN 0.265 nan 8.250 nan 0.000 0.490 65 G N 1.294 110.020 108.800 -0.124 0.000 2.402 65 G HA2 -0.264 3.491 3.960 -0.341 0.000 0.216 65 G HA3 -0.264 3.491 3.960 -0.341 0.000 0.216 65 G C 1.521 176.430 174.900 0.016 0.000 1.162 65 G CA 0.961 46.136 45.100 0.126 0.000 0.777 65 G HN 0.335 nan 8.290 nan 0.000 0.539 66 A N 0.607 123.433 122.820 0.010 0.000 1.930 66 A HA 0.008 4.123 4.320 -0.341 0.000 0.217 66 A C 2.141 179.692 177.584 -0.054 0.000 1.175 66 A CA 1.971 54.044 52.037 0.061 0.000 0.627 66 A CB -0.398 18.650 19.000 0.081 0.000 0.815 66 A HN 0.493 nan 8.150 nan 0.000 0.443 67 E N -1.485 118.586 120.200 -0.215 0.000 2.072 67 E HA -0.203 3.943 4.350 -0.341 0.000 0.191 67 E C 1.666 178.041 176.600 -0.375 0.000 0.985 67 E CA 1.373 57.595 56.400 -0.296 0.000 0.801 67 E CB -0.212 29.227 29.700 -0.436 0.000 0.750 67 E HN 0.689 nan 8.360 nan 0.000 0.452 68 Y N -1.401 118.502 120.300 -0.662 0.000 2.314 68 Y HA -0.059 4.286 4.550 -0.342 0.000 0.294 68 Y C 1.459 176.652 175.900 -1.177 0.000 1.119 68 Y CA 0.504 57.910 58.100 -1.155 0.000 1.179 68 Y CB -0.053 37.080 38.460 -2.210 0.000 1.025 68 Y HN 0.256 nan 8.280 nan 0.000 0.541 69 W N -0.258 120.983 121.300 -0.098 0.000 2.702 69 W HA 0.546 5.001 4.660 -0.341 0.000 0.369 69 W C 0.934 177.431 176.519 -0.038 0.000 0.987 69 W CA 0.369 57.585 57.345 -0.214 0.000 1.702 69 W CB -0.280 28.743 29.460 -0.727 0.000 1.138 69 W HN 0.181 nan 8.180 nan 0.000 0.552 70 G N 1.715 110.591 108.800 0.126 0.000 2.593 70 G HA2 -0.315 3.440 3.960 -0.341 0.000 0.237 70 G HA3 -0.315 3.440 3.960 -0.341 0.000 0.237 70 G C -1.366 173.690 174.900 0.260 0.000 1.312 70 G CA -0.121 45.084 45.100 0.175 0.000 0.896 70 G HN -0.089 nan 8.290 nan 0.000 0.574 71 P HA -0.169 nan 4.420 nan 0.000 0.219 71 P C 1.242 178.646 177.300 0.174 0.000 1.159 71 P CA 2.326 65.526 63.100 0.167 0.000 0.944 71 P CB -0.206 31.568 31.700 0.123 0.000 0.792 72 D N -2.830 117.688 120.400 0.197 0.000 2.354 72 D HA -0.157 4.278 4.640 -0.341 0.000 0.216 72 D C 1.191 177.439 176.300 -0.087 0.000 0.970 72 D CA 1.224 55.254 54.000 0.050 0.000 0.905 72 D CB -0.516 40.289 40.800 0.008 0.000 0.903 72 D HN 0.405 nan 8.370 nan 0.000 0.508 73 Y N -0.075 120.293 120.300 0.113 0.000 2.481 73 Y HA 0.172 4.518 4.550 -0.341 0.000 0.247 73 Y C 2.040 177.978 175.900 0.063 0.000 1.151 73 Y CA -0.479 57.695 58.100 0.123 0.000 1.238 73 Y CB 0.188 38.795 38.460 0.246 0.000 1.179 73 Y HN -0.085 nan 8.280 nan 0.000 0.524 74 E N 0.912 121.216 120.200 0.173 0.000 2.077 74 E HA -0.283 3.862 4.350 -0.341 0.000 0.193 74 E C 2.116 178.726 176.600 0.016 0.000 0.989 74 E CA 1.391 57.838 56.400 0.078 0.000 0.800 74 E CB 0.098 29.875 29.700 0.127 0.000 0.746 74 E HN 0.573 nan 8.360 nan 0.000 0.452 75 Q N -0.173 119.644 119.800 0.029 0.000 2.030 75 Q HA -0.180 3.955 4.340 -0.341 0.000 0.204 75 Q C 2.036 178.065 176.000 0.049 0.000 0.986 75 Q CA 2.433 58.248 55.803 0.021 0.000 0.843 75 Q CB -0.153 28.567 28.738 -0.031 0.000 0.904 75 Q HN 0.264 nan 8.270 nan 0.000 0.420 76 T N 0.285 114.859 114.554 0.034 0.000 2.720 76 T HA -0.161 3.984 4.350 -0.341 0.000 0.268 76 T C 1.833 176.594 174.700 0.102 0.000 1.037 76 T CA 1.728 63.883 62.100 0.093 0.000 1.144 76 T CB -0.558 68.353 68.868 0.073 0.000 0.864 76 T HN 0.402 nan 8.240 nan 0.000 0.444 77 T N 1.787 116.343 114.554 0.004 0.000 2.652 77 T HA -0.110 4.035 4.350 -0.341 0.000 0.267 77 T C 2.164 176.745 174.700 -0.198 0.000 1.039 77 T CA 1.305 63.319 62.100 -0.145 0.000 1.153 77 T CB -0.556 68.123 68.868 -0.316 0.000 0.863 77 T HN 0.169 nan 8.240 nan 0.000 0.428 78 V N 0.822 120.629 119.914 -0.178 0.000 2.407 78 V HA -0.166 3.749 4.120 -0.341 0.000 0.248 78 V C 2.004 178.187 176.094 0.148 0.000 1.055 78 V CA 1.510 63.768 62.300 -0.070 0.000 1.049 78 V CB -0.720 31.131 31.823 0.046 0.000 0.662 78 V HN 0.670 nan 8.190 nan 0.000 0.455 79 W N 0.513 121.825 121.300 0.020 0.000 2.354 79 W HA -0.154 4.301 4.660 -0.341 0.000 0.315 79 W C 2.073 178.567 176.519 -0.042 0.000 1.206 79 W CA 1.558 58.945 57.345 0.069 0.000 1.290 79 W CB -0.173 29.253 29.460 -0.058 0.000 1.152 79 W HN 0.233 nan 8.180 nan 0.000 0.489 80 L N 0.431 121.584 121.223 -0.117 0.000 2.156 80 L HA -0.218 3.917 4.340 -0.341 0.000 0.208 80 L C 2.606 179.265 176.870 -0.352 0.000 1.095 80 L CA 0.764 55.389 54.840 -0.358 0.000 0.770 80 L CB -0.920 41.031 42.059 -0.179 0.000 0.914 80 L HN 0.015 nan 8.230 nan 0.000 0.439 81 L N -0.856 120.230 121.223 -0.228 0.000 2.044 81 L HA -0.132 4.003 4.340 -0.341 0.000 0.205 81 L C 2.602 179.339 176.870 -0.222 0.000 1.075 81 L CA 1.296 56.013 54.840 -0.205 0.000 0.747 81 L CB -0.754 41.207 42.059 -0.164 0.000 0.903 81 L HN 0.204 nan 8.230 nan 0.000 0.435 82 T N -0.446 113.985 114.554 -0.206 0.000 2.833 82 T HA -0.126 4.019 4.350 -0.341 0.000 0.269 82 T C 1.472 175.997 174.700 -0.292 0.000 1.054 82 T CA 1.077 63.018 62.100 -0.265 0.000 1.135 82 T CB -0.202 68.435 68.868 -0.385 0.000 0.869 82 T HN 0.274 nan 8.240 nan 0.000 0.466 83 N N 0.399 118.858 118.700 -0.401 0.000 2.322 83 N HA 0.128 4.663 4.740 -0.341 0.000 0.194 83 N C 1.325 176.552 175.510 -0.472 0.000 1.126 83 N CA 0.475 53.207 53.050 -0.529 0.000 0.845 83 N CB 0.356 38.161 38.487 -1.137 0.000 0.976 83 N HN 0.510 nan 8.380 nan 0.000 0.475 84 G N 0.854 109.444 108.800 -0.350 0.000 2.258 84 G HA2 -0.289 3.466 3.960 -0.341 0.000 0.274 84 G HA3 -0.289 3.466 3.960 -0.341 0.000 0.274 84 G C 1.125 175.856 174.900 -0.282 0.000 1.021 84 G CA 0.611 45.558 45.100 -0.256 0.000 0.798 84 G HN 0.223 nan 8.290 nan 0.000 0.507 85 V N 0.616 120.282 119.914 -0.414 0.000 2.261 85 V HA -0.152 3.763 4.120 -0.341 0.000 0.246 85 V C 0.944 176.929 176.094 -0.182 0.000 1.047 85 V CA 2.665 64.755 62.300 -0.349 0.000 1.015 85 V CB -0.953 30.548 31.823 -0.536 0.000 0.642 85 V HN 0.408 nan 8.190 nan 0.000 0.446 86 P HA -0.140 nan 4.420 nan 0.000 0.215 86 P C 1.615 178.851 177.300 -0.106 0.000 1.153 86 P CA 1.348 64.378 63.100 -0.116 0.000 0.853 86 P CB -0.047 31.588 31.700 -0.108 0.000 0.788 87 E N -0.502 119.628 120.200 -0.117 0.000 2.047 87 E HA -0.172 3.973 4.350 -0.341 0.000 0.191 87 E C 2.207 178.740 176.600 -0.110 0.000 0.987 87 E CA 0.860 57.205 56.400 -0.093 0.000 0.799 87 E CB -0.582 29.066 29.700 -0.087 0.000 0.752 87 E HN 0.243 nan 8.360 nan 0.000 0.449 88 R N 0.994 121.386 120.500 -0.180 0.000 2.127 88 R HA -0.113 4.022 4.340 -0.341 0.000 0.238 88 R C 2.298 178.365 176.300 -0.388 0.000 1.134 88 R CA 1.161 57.071 56.100 -0.318 0.000 0.975 88 R CB -0.184 29.826 30.300 -0.482 0.000 0.865 88 R HN 0.154 nan 8.270 nan 0.000 0.447 89 A N 0.621 123.291 122.820 -0.249 0.000 1.908 89 A HA -0.205 3.910 4.320 -0.341 0.000 0.218 89 A C 2.014 179.620 177.584 0.037 0.000 1.181 89 A CA 1.249 53.216 52.037 -0.117 0.000 0.627 89 A CB -0.393 18.573 19.000 -0.056 0.000 0.818 89 A HN 0.349 nan 8.150 nan 0.000 0.445 90 Q N -0.334 119.477 119.800 0.019 0.000 2.084 90 Q HA -0.200 3.935 4.340 -0.341 0.000 0.202 90 Q C 2.249 178.358 176.000 0.182 0.000 0.978 90 Q CA 1.746 57.611 55.803 0.102 0.000 0.844 90 Q CB -0.435 28.330 28.738 0.045 0.000 0.898 90 Q HN 0.837 nan 8.270 nan 0.000 0.426 91 Q N -0.659 119.211 119.800 0.118 0.000 1.948 91 Q HA -0.198 3.937 4.340 -0.341 0.000 0.205 91 Q C 1.996 178.177 176.000 0.301 0.000 0.992 91 Q CA 1.544 57.451 55.803 0.174 0.000 0.849 91 Q CB -0.326 28.505 28.738 0.156 0.000 0.918 91 Q HN 0.384 nan 8.270 nan 0.000 0.421 92 W N 0.122 121.437 121.300 0.025 0.000 2.305 92 W HA -0.264 4.191 4.660 -0.342 0.000 0.308 92 W C 2.239 178.802 176.519 0.072 0.000 1.226 92 W CA 1.110 58.467 57.345 0.021 0.000 1.253 92 W CB -1.404 28.047 29.460 -0.015 0.000 1.146 92 W HN 0.327 nan 8.180 nan 0.000 0.507 93 Y N 0.891 121.341 120.300 0.249 0.000 2.097 93 Y HA -0.236 4.109 4.550 -0.342 0.000 0.282 93 Y C 2.445 178.417 175.900 0.121 0.000 1.152 93 Y CA 2.805 61.001 58.100 0.160 0.000 1.136 93 Y CB -1.028 37.496 38.460 0.108 0.000 0.975 93 Y HN -0.104 nan 8.280 nan 0.000 0.498 94 A N -0.312 122.554 122.820 0.077 0.000 2.019 94 A HA -0.197 3.918 4.320 -0.341 0.000 0.219 94 A C 1.966 179.523 177.584 -0.045 0.000 1.164 94 A CA 1.624 53.645 52.037 -0.027 0.000 0.644 94 A CB -0.614 18.438 19.000 0.086 0.000 0.805 94 A HN 0.666 nan 8.150 nan 0.000 0.449 95 Q N -0.079 119.728 119.800 0.011 0.000 2.322 95 Q HA 0.065 4.200 4.340 -0.341 0.000 0.203 95 Q C -0.029 175.941 176.000 -0.051 0.000 0.923 95 Q CA -0.035 55.759 55.803 -0.015 0.000 0.949 95 Q CB 0.216 28.954 28.738 0.001 0.000 1.039 95 Q HN 0.558 nan 8.270 nan 0.000 0.496 96 Q N 0.278 120.036 119.800 -0.070 0.000 2.312 96 Q HA 0.157 4.292 4.340 -0.341 0.000 0.236 96 Q C 0.034 176.009 176.000 -0.041 0.000 0.965 96 Q CA -0.081 55.698 55.803 -0.040 0.000 0.894 96 Q CB 1.243 29.968 28.738 -0.021 0.000 1.225 96 Q HN 0.235 nan 8.270 nan 0.000 0.478 97 S N 0.670 116.372 115.700 0.004 0.000 2.580 97 S HA 0.184 4.449 4.470 -0.341 0.000 0.274 97 S C -1.839 172.772 174.600 0.017 0.000 1.329 97 S CA -1.064 57.141 58.200 0.008 0.000 1.036 97 S CB 0.780 63.993 63.200 0.022 0.000 0.919 97 S HN 0.291 nan 8.310 nan 0.000 0.515 98 P HA -0.166 nan 4.420 nan 0.000 0.217 98 P C 0.693 178.000 177.300 0.012 0.000 1.162 98 P CA 1.546 64.646 63.100 -0.001 0.000 0.901 98 P CB -0.067 31.639 31.700 0.010 0.000 0.793 99 D N -1.973 118.453 120.400 0.043 0.000 2.104 99 D HA -0.162 4.273 4.640 -0.341 0.000 0.194 99 D C 1.656 177.962 176.300 0.011 0.000 0.994 99 D CA 1.040 55.072 54.000 0.052 0.000 0.830 99 D CB -0.948 39.911 40.800 0.099 0.000 0.959 99 D HN 0.101 nan 8.370 nan 0.000 0.452 100 F N 0.968 120.845 119.950 -0.121 0.000 2.206 100 F HA 0.029 4.352 4.527 -0.341 0.000 0.298 100 F C 2.308 177.980 175.800 -0.213 0.000 1.090 100 F CA 0.869 58.738 58.000 -0.218 0.000 1.323 100 F CB -0.020 38.885 39.000 -0.158 0.000 1.028 100 F HN -0.228 nan 8.300 nan 0.000 0.492 101 R N 0.242 120.687 120.500 -0.092 0.000 2.105 101 R HA -0.180 3.955 4.340 -0.341 0.000 0.239 101 R C 2.280 178.491 176.300 -0.147 0.000 1.135 101 R CA 1.348 57.350 56.100 -0.165 0.000 0.967 101 R CB -0.529 29.654 30.300 -0.195 0.000 0.861 101 R HN 0.322 nan 8.270 nan 0.000 0.442 102 A N 1.019 123.765 122.820 -0.124 0.000 1.933 102 A HA -0.162 3.953 4.320 -0.341 0.000 0.218 102 A C 1.695 179.179 177.584 -0.166 0.000 1.175 102 A CA 1.578 53.584 52.037 -0.052 0.000 0.628 102 A CB -0.469 18.537 19.000 0.009 0.000 0.814 102 A HN 0.403 nan 8.150 nan 0.000 0.444 103 N N 0.119 118.514 118.700 -0.508 0.000 2.188 103 N HA -0.048 4.487 4.740 -0.341 0.000 0.184 103 N C 1.608 176.694 175.510 -0.706 0.000 1.018 103 N CA 1.118 53.581 53.050 -0.978 0.000 0.858 103 N CB -0.470 36.690 38.487 -2.211 0.000 0.989 103 N HN 0.502 nan 8.380 nan 0.000 0.426 104 L N 0.883 121.747 121.223 -0.599 0.000 2.056 104 L HA -0.142 3.994 4.340 -0.341 0.000 0.207 104 L C 1.615 178.539 176.870 0.091 0.000 1.078 104 L CA 1.075 55.789 54.840 -0.211 0.000 0.749 104 L CB -0.307 41.690 42.059 -0.102 0.000 0.901 104 L HN 0.042 nan 8.230 nan 0.000 0.433 105 D N 0.223 120.687 120.400 0.106 0.000 2.117 105 D HA -0.152 4.283 4.640 -0.341 0.000 0.197 105 D C 2.237 178.681 176.300 0.240 0.000 0.987 105 D CA 1.494 55.617 54.000 0.206 0.000 0.829 105 D CB -0.068 40.867 40.800 0.225 0.000 0.961 105 D HN 0.307 nan 8.370 nan 0.000 0.460 106 A N 0.443 123.374 122.820 0.185 0.000 1.933 106 A HA -0.178 3.937 4.320 -0.341 0.000 0.218 106 A C 2.083 179.764 177.584 0.161 0.000 1.175 106 A CA 0.952 53.032 52.037 0.071 0.000 0.628 106 A CB -0.943 17.924 19.000 -0.222 0.000 0.814 106 A HN 0.234 nan 8.150 nan 0.000 0.444 107 F N 0.814 120.820 119.950 0.093 0.000 2.146 107 F HA -0.025 4.297 4.527 -0.341 0.000 0.298 107 F C 2.517 178.359 175.800 0.069 0.000 1.096 107 F CA 1.192 59.259 58.000 0.111 0.000 1.275 107 F CB -0.361 38.755 39.000 0.193 0.000 1.008 107 F HN 0.243 nan 8.300 nan 0.000 0.480 108 A N 0.282 123.248 122.820 0.243 0.000 1.898 108 A HA -0.038 4.077 4.320 -0.341 0.000 0.216 108 A C 2.386 180.015 177.584 0.076 0.000 1.181 108 A CA 1.609 53.741 52.037 0.158 0.000 0.620 108 A CB -1.527 17.597 19.000 0.207 0.000 0.819 108 A HN 0.477 nan 8.150 nan 0.000 0.442 109 A N -0.387 122.536 122.820 0.170 0.000 1.933 109 A HA 0.099 4.214 4.320 -0.341 0.000 0.218 109 A C 2.397 180.040 177.584 0.097 0.000 1.175 109 A CA 1.943 54.148 52.037 0.281 0.000 0.628 109 A CB -1.369 17.983 19.000 0.587 0.000 0.814 109 A HN 0.725 nan 8.150 nan 0.000 0.444 110 G N 0.012 108.645 108.800 -0.277 0.000 2.418 110 G HA2 -0.189 3.566 3.960 -0.341 0.000 0.217 110 G HA3 -0.189 3.566 3.960 -0.341 0.000 0.217 110 G C 1.518 176.199 174.900 -0.365 0.000 1.158 110 G CA 1.135 45.778 45.100 -0.763 0.000 0.771 110 G HN 0.493 nan 8.290 nan 0.000 0.545 111 I N 0.934 121.292 120.570 -0.354 0.000 2.252 111 I HA -0.156 3.809 4.170 -0.341 0.000 0.245 111 I C 2.521 178.559 176.117 -0.132 0.000 1.102 111 I CA 0.795 61.915 61.300 -0.300 0.000 1.385 111 I CB -0.231 37.582 38.000 -0.311 0.000 1.064 111 I HN 0.079 nan 8.210 nan 0.000 0.414 112 N N 1.324 119.995 118.700 -0.049 0.000 2.106 112 N HA -0.131 4.404 4.740 -0.341 0.000 0.188 112 N C 1.974 177.510 175.510 0.043 0.000 1.029 112 N CA 1.637 54.695 53.050 0.013 0.000 0.848 112 N CB -0.488 38.041 38.487 0.069 0.000 1.007 112 N HN 0.335 nan 8.380 nan 0.000 0.423 113 A N 0.984 123.876 122.820 0.120 0.000 1.873 113 A HA -0.247 3.868 4.320 -0.341 0.000 0.218 113 A C 2.207 179.892 177.584 0.167 0.000 1.193 113 A CA 1.633 53.813 52.037 0.238 0.000 0.629 113 A CB -1.328 17.936 19.000 0.439 0.000 0.826 113 A HN 0.426 nan 8.150 nan 0.000 0.447 114 Y N 0.622 120.855 120.300 -0.113 0.000 2.081 114 Y HA -0.188 4.158 4.550 -0.341 0.000 0.280 114 Y C 2.699 178.434 175.900 -0.275 0.000 1.163 114 Y CA 1.720 59.522 58.100 -0.498 0.000 1.135 114 Y CB -0.697 37.082 38.460 -1.135 0.000 0.970 114 Y HN 0.320 nan 8.280 nan 0.000 0.498 115 A N 0.075 122.747 122.820 -0.247 0.000 1.908 115 A HA -0.287 3.828 4.320 -0.341 0.000 0.218 115 A C 2.300 179.757 177.584 -0.211 0.000 1.181 115 A CA 1.956 53.849 52.037 -0.240 0.000 0.627 115 A CB -0.979 17.958 19.000 -0.106 0.000 0.818 115 A HN 0.706 nan 8.150 nan 0.000 0.445 116 Q N -0.872 118.860 119.800 -0.114 0.000 2.119 116 Q HA -0.215 3.920 4.340 -0.341 0.000 0.201 116 Q C 2.085 178.036 176.000 -0.081 0.000 0.972 116 Q CA 1.706 57.473 55.803 -0.061 0.000 0.847 116 Q CB -0.109 28.637 28.738 0.013 0.000 0.903 116 Q HN 0.790 nan 8.270 nan 0.000 0.433 117 Q N -0.264 119.479 119.800 -0.095 0.000 2.311 117 Q HA 0.034 4.169 4.340 -0.341 0.000 0.203 117 Q C -0.065 175.820 176.000 -0.193 0.000 0.954 117 Q CA 0.608 56.368 55.803 -0.073 0.000 0.885 117 Q CB 0.559 29.337 28.738 0.067 0.000 0.963 117 Q HN 0.274 nan 8.270 nan 0.000 0.471 118 N N 0.215 118.675 118.700 -0.400 0.000 2.723 118 N HA 0.118 4.653 4.740 -0.341 0.000 0.290 118 N C -2.323 172.980 175.510 -0.345 0.000 1.882 118 N CA -0.783 52.011 53.050 -0.427 0.000 0.851 118 N CB 1.225 39.269 38.487 -0.739 0.000 1.234 118 N HN 0.099 nan 8.380 nan 0.000 0.491 119 P HA -0.128 nan 4.420 nan 0.000 0.219 119 P C 0.689 177.914 177.300 -0.125 0.000 1.146 119 P CA 1.242 64.251 63.100 -0.152 0.000 0.808 119 P CB 0.511 32.149 31.700 -0.104 0.000 0.779 120 D N -0.728 119.601 120.400 -0.118 0.000 2.349 120 D HA -0.059 4.376 4.640 -0.341 0.000 0.224 120 D C 1.127 177.372 176.300 -0.091 0.000 1.029 120 D CA 0.463 54.409 54.000 -0.090 0.000 0.879 120 D CB -0.304 40.453 40.800 -0.073 0.000 0.906 120 D HN -0.026 nan 8.370 nan 0.000 0.528 121 D N -0.309 120.021 120.400 -0.117 0.000 2.360 121 D HA 0.028 4.463 4.640 -0.341 0.000 0.210 121 D C 0.193 176.451 176.300 -0.070 0.000 1.047 121 D CA 0.035 53.983 54.000 -0.085 0.000 0.854 121 D CB 0.907 41.666 40.800 -0.069 0.000 0.936 121 D HN 0.235 nan 8.370 nan 0.000 0.514 122 I N 1.241 121.759 120.570 -0.088 0.000 2.331 122 I HA 0.060 4.025 4.170 -0.341 0.000 0.292 122 I C 0.903 176.973 176.117 -0.078 0.000 0.998 122 I CA -0.640 60.612 61.300 -0.081 0.000 1.267 122 I CB 1.164 39.110 38.000 -0.089 0.000 1.386 122 I HN -0.261 nan 8.210 nan 0.000 0.476 123 S N 8.025 123.675 115.700 -0.083 0.000 2.546 123 S HA 0.065 4.330 4.470 -0.341 0.000 0.290 123 S C -1.249 173.318 174.600 -0.056 0.000 1.290 123 S CA -0.670 57.485 58.200 -0.075 0.000 1.069 123 S CB 0.611 63.756 63.200 -0.092 0.000 0.846 123 S HN 0.392 nan 8.310 nan 0.000 0.495 124 P HA -0.172 nan 4.420 nan 0.000 0.216 124 P C 1.057 178.355 177.300 -0.004 0.000 1.157 124 P CA 1.398 64.481 63.100 -0.028 0.000 0.880 124 P CB -0.050 31.636 31.700 -0.023 0.000 0.791 125 D N -0.555 119.860 120.400 0.025 0.000 2.309 125 D HA -0.107 4.328 4.640 -0.341 0.000 0.212 125 D C 1.463 177.899 176.300 0.227 0.000 0.968 125 D CA 1.387 55.464 54.000 0.128 0.000 0.882 125 D CB -0.629 40.250 40.800 0.132 0.000 0.918 125 D HN 0.244 nan 8.370 nan 0.000 0.503 126 V N -3.277 116.685 119.914 0.079 0.000 3.605 126 V HA 0.261 4.176 4.120 -0.341 0.000 0.284 126 V C 2.141 178.208 176.094 -0.044 0.000 1.386 126 V CA -0.338 62.008 62.300 0.077 0.000 1.053 126 V CB -0.266 31.553 31.823 -0.007 0.000 0.857 126 V HN -0.156 nan 8.190 nan 0.000 0.436 127 R N 2.051 122.512 120.500 -0.065 0.000 2.127 127 R HA -0.190 3.945 4.340 -0.341 0.000 0.238 127 R C 2.405 178.629 176.300 -0.127 0.000 1.134 127 R CA 2.141 58.189 56.100 -0.086 0.000 0.975 127 R CB -0.463 29.793 30.300 -0.072 0.000 0.865 127 R HN 0.872 nan 8.270 nan 0.000 0.447 128 Q N 0.437 120.120 119.800 -0.196 0.000 2.368 128 Q HA -0.105 4.030 4.340 -0.341 0.000 0.210 128 Q C 1.645 177.422 176.000 -0.371 0.000 0.982 128 Q CA 1.455 57.085 55.803 -0.288 0.000 0.884 128 Q CB -0.138 28.353 28.738 -0.411 0.000 0.933 128 Q HN 0.201 nan 8.270 nan 0.000 0.460 129 V N 1.274 120.976 119.914 -0.354 0.000 2.591 129 V HA -0.059 3.856 4.120 -0.341 0.000 0.249 129 V C 1.488 177.556 176.094 -0.044 0.000 1.053 129 V CA 0.635 62.812 62.300 -0.205 0.000 1.068 129 V CB -0.382 31.409 31.823 -0.052 0.000 0.689 129 V HN 0.274 nan 8.190 nan 0.000 0.462 130 L N 2.647 123.837 121.223 -0.055 0.000 2.456 130 L HA 0.199 4.334 4.340 -0.341 0.000 0.272 130 L C -1.690 175.176 176.870 -0.006 0.000 1.189 130 L CA -1.028 53.800 54.840 -0.019 0.000 0.846 130 L CB -0.031 42.006 42.059 -0.036 0.000 1.111 130 L HN 0.182 nan 8.230 nan 0.000 0.475 131 P HA 0.273 nan 4.420 nan 0.000 0.284 131 P C -0.877 176.459 177.300 0.060 0.000 1.258 131 P CA -0.458 62.663 63.100 0.034 0.000 0.824 131 P CB 1.767 33.491 31.700 0.040 0.000 1.038 132 V N -0.364 119.603 119.914 0.088 0.000 2.997 132 V HA 0.785 4.700 4.120 -0.341 0.000 0.311 132 V C 0.286 176.441 176.094 0.102 0.000 1.066 132 V CA -0.501 61.884 62.300 0.140 0.000 1.039 132 V CB 0.903 32.899 31.823 0.289 0.000 1.081 132 V HN 0.844 nan 8.190 nan 0.000 0.467 133 S N 0.998 116.732 115.700 0.056 0.000 2.745 133 S HA 0.699 4.964 4.470 -0.341 0.000 0.306 133 S C 1.037 175.618 174.600 -0.032 0.000 1.137 133 S CA -0.134 58.064 58.200 -0.003 0.000 0.900 133 S CB 1.101 64.243 63.200 -0.097 0.000 1.176 133 S HN 1.475 nan 8.310 nan 0.000 0.520 134 G N 0.333 109.091 108.800 -0.070 0.000 2.432 134 G HA2 0.052 3.807 3.960 -0.341 0.000 0.219 134 G HA3 0.052 3.807 3.960 -0.341 0.000 0.219 134 G C 1.447 176.244 174.900 -0.172 0.000 1.135 134 G CA 0.870 45.977 45.100 0.013 0.000 0.767 134 G HN 1.156 nan 8.290 nan 0.000 0.550 135 A N 1.096 123.552 122.820 -0.607 0.000 1.933 135 A HA -0.048 4.067 4.320 -0.341 0.000 0.218 135 A C 2.092 179.563 177.584 -0.188 0.000 1.175 135 A CA 1.995 53.771 52.037 -0.435 0.000 0.628 135 A CB -0.380 18.322 19.000 -0.496 0.000 0.814 135 A HN 0.270 nan 8.150 nan 0.000 0.444 136 D N -0.010 120.262 120.400 -0.213 0.000 2.104 136 D HA -0.137 4.298 4.640 -0.341 0.000 0.194 136 D C 2.119 178.121 176.300 -0.496 0.000 0.994 136 D CA 1.678 55.496 54.000 -0.303 0.000 0.830 136 D CB -0.532 40.106 40.800 -0.271 0.000 0.959 136 D HN 0.232 nan 8.370 nan 0.000 0.452 137 V N 0.850 120.548 119.914 -0.359 0.000 2.287 137 V HA -0.230 3.685 4.120 -0.341 0.000 0.248 137 V C 2.712 178.811 176.094 0.009 0.000 1.053 137 V CA 1.205 63.396 62.300 -0.181 0.000 1.027 137 V CB -0.634 31.246 31.823 0.095 0.000 0.646 137 V HN 0.057 nan 8.190 nan 0.000 0.447 138 V N 0.323 120.290 119.914 0.087 0.000 2.343 138 V HA -0.234 3.681 4.120 -0.341 0.000 0.247 138 V C 2.741 178.940 176.094 0.175 0.000 1.051 138 V CA 1.918 64.347 62.300 0.216 0.000 1.036 138 V CB -1.250 30.757 31.823 0.308 0.000 0.654 138 V HN 0.551 nan 8.190 nan 0.000 0.451 139 A N -0.171 122.683 122.820 0.057 0.000 1.883 139 A HA -0.333 3.782 4.320 -0.341 0.000 0.217 139 A C 2.149 179.779 177.584 0.077 0.000 1.186 139 A CA 2.541 54.602 52.037 0.040 0.000 0.624 139 A CB -0.907 18.074 19.000 -0.032 0.000 0.822 139 A HN 0.738 nan 8.150 nan 0.000 0.444 140 H N -0.064 118.976 119.070 -0.050 0.000 2.321 140 H HA 0.038 4.389 4.556 -0.341 0.000 0.300 140 H C 2.169 177.581 175.328 0.140 0.000 1.087 140 H CA 2.021 58.092 56.048 0.039 0.000 1.319 140 H CB -0.370 29.426 29.762 0.058 0.000 1.379 140 H HN 0.379 nan 8.280 nan 0.000 0.501 141 A N -0.279 122.589 122.820 0.080 0.000 1.902 141 A HA -0.238 3.877 4.320 -0.341 0.000 0.217 141 A C 2.291 180.012 177.584 0.228 0.000 1.181 141 A CA 1.996 54.115 52.037 0.137 0.000 0.623 141 A CB -1.013 18.145 19.000 0.263 0.000 0.818 141 A HN 0.708 nan 8.150 nan 0.000 0.443 142 H N -0.038 119.125 119.070 0.155 0.000 2.357 142 H HA -0.080 4.271 4.556 -0.341 0.000 0.301 142 H C 2.157 177.574 175.328 0.149 0.000 1.082 142 H CA 1.979 58.122 56.048 0.159 0.000 1.342 142 H CB -0.283 29.410 29.762 -0.116 0.000 1.389 142 H HN 0.486 nan 8.280 nan 0.000 0.511 143 R N -0.278 120.192 120.500 -0.050 0.000 2.082 143 R HA -0.134 4.001 4.340 -0.341 0.000 0.234 143 R C 2.290 178.567 176.300 -0.038 0.000 1.136 143 R CA 1.727 57.785 56.100 -0.070 0.000 0.935 143 R CB -0.620 29.636 30.300 -0.072 0.000 0.842 143 R HN 0.384 nan 8.270 nan 0.000 0.430 144 L N 0.886 122.032 121.223 -0.129 0.000 1.978 144 L HA -0.259 3.876 4.340 -0.341 0.000 0.218 144 L C 2.354 179.367 176.870 0.239 0.000 1.075 144 L CA 2.002 56.806 54.840 -0.060 0.000 0.767 144 L CB -0.458 41.560 42.059 -0.068 0.000 0.890 144 L HN 0.307 nan 8.230 nan 0.000 0.434 145 M N -0.710 119.057 119.600 0.278 0.000 2.062 145 M HA -0.157 4.118 4.480 -0.341 0.000 0.259 145 M C 2.112 178.495 176.300 0.138 0.000 1.076 145 M CA 2.032 57.506 55.300 0.290 0.000 1.122 145 M CB -1.735 31.038 32.600 0.287 0.000 1.312 145 M HN 0.369 nan 8.290 nan 0.000 0.412 146 N N -0.985 117.744 118.700 0.047 0.000 2.368 146 N HA 0.003 4.539 4.740 -0.341 0.000 0.176 146 N C 0.722 175.868 175.510 -0.607 0.000 1.021 146 N CA 0.682 53.572 53.050 -0.268 0.000 0.888 146 N CB 0.016 38.325 38.487 -0.296 0.000 0.995 146 N HN 0.183 nan 8.380 nan 0.000 0.437 147 F N -0.261 119.676 119.950 -0.021 0.000 2.708 147 F HA 0.441 4.764 4.527 -0.341 0.000 0.300 147 F C 0.975 176.870 175.800 0.157 0.000 1.118 147 F CA -0.124 57.955 58.000 0.132 0.000 1.307 147 F CB 0.384 39.393 39.000 0.014 0.000 0.986 147 F HN -0.044 nan 8.300 nan 0.000 0.522 148 L N -2.740 118.525 121.223 0.071 0.000 2.603 148 L HA 0.079 4.214 4.340 -0.341 0.000 0.189 148 L C 1.498 178.336 176.870 -0.055 0.000 1.082 148 L CA 0.253 55.021 54.840 -0.119 0.000 0.921 148 L CB -0.195 41.630 42.059 -0.391 0.000 1.694 148 L HN -0.017 nan 8.230 nan 0.000 0.491 149 Y N 0.219 120.538 120.300 0.031 0.000 2.084 149 Y HA -0.213 4.132 4.550 -0.342 0.000 0.279 149 Y C 2.446 178.325 175.900 -0.035 0.000 1.119 149 Y CA 1.837 59.966 58.100 0.049 0.000 1.101 149 Y CB -0.261 38.205 38.460 0.010 0.000 0.989 149 Y HN -0.164 nan 8.280 nan 0.000 0.484 150 V N -0.280 119.689 119.914 0.092 0.000 2.237 150 V HA -0.173 3.742 4.120 -0.341 0.000 0.245 150 V C 0.821 176.915 176.094 0.000 0.000 1.046 150 V CA 1.401 63.692 62.300 -0.016 0.000 1.007 150 V CB -1.064 30.701 31.823 -0.096 0.000 0.638 150 V HN 0.339 nan 8.190 nan 0.000 0.445 151 A N -0.405 122.408 122.820 -0.012 0.000 2.401 151 A HA 0.778 4.893 4.320 -0.341 0.000 0.310 151 A C -0.321 177.390 177.584 0.211 0.000 1.075 151 A CA 0.181 52.283 52.037 0.108 0.000 0.746 151 A CB 1.835 20.922 19.000 0.145 0.000 1.277 151 A HN 0.531 nan 8.150 nan 0.000 0.425 152 S N 0.975 116.683 115.700 0.013 0.000 2.579 152 S HA 0.726 4.991 4.470 -0.341 0.000 0.272 152 S C -2.460 171.362 174.600 -1.296 0.000 1.141 152 S CA -0.945 56.958 58.200 -0.495 0.000 0.843 152 S CB 1.958 64.952 63.200 -0.342 0.000 1.122 152 S HN 0.382 nan 8.310 nan 0.000 0.468 153 P HA -0.025 nan 4.420 nan 0.000 0.216 153 P C 1.634 178.491 177.300 -0.738 0.000 1.150 153 P CA 2.028 64.146 63.100 -1.637 0.000 0.837 153 P CB -0.625 30.355 31.700 -1.201 0.000 0.786 154 G N 0.311 108.790 108.800 -0.536 0.000 2.446 154 G HA2 -0.263 3.493 3.960 -0.341 0.000 0.217 154 G HA3 -0.263 3.493 3.960 -0.341 0.000 0.217 154 G C 1.868 176.624 174.900 -0.240 0.000 1.168 154 G CA 0.858 45.775 45.100 -0.305 0.000 0.771 154 G HN 0.195 nan 8.290 nan 0.000 0.551 155 R N -0.219 120.136 120.500 -0.242 0.000 2.062 155 R HA 0.038 4.173 4.340 -0.341 0.000 0.231 155 R C 3.012 179.238 176.300 -0.123 0.000 1.136 155 R CA 1.790 57.804 56.100 -0.143 0.000 0.948 155 R CB -1.080 29.163 30.300 -0.096 0.000 0.845 155 R HN 0.300 nan 8.270 nan 0.000 0.430 156 T N 1.056 115.516 114.554 -0.157 0.000 2.720 156 T HA -0.105 4.040 4.350 -0.341 0.000 0.268 156 T C 1.577 176.231 174.700 -0.075 0.000 1.037 156 T CA 1.236 63.294 62.100 -0.070 0.000 1.144 156 T CB -0.185 68.668 68.868 -0.024 0.000 0.864 156 T HN 0.112 nan 8.240 nan 0.000 0.444 157 L N 0.411 121.544 121.223 -0.150 0.000 2.551 157 L HA 0.148 4.283 4.340 -0.341 0.000 0.228 157 L C 1.992 178.828 176.870 -0.058 0.000 1.153 157 L CA 0.482 55.273 54.840 -0.082 0.000 0.851 157 L CB -0.689 41.301 42.059 -0.115 0.000 0.959 157 L HN 0.511 nan 8.230 nan 0.000 0.451 158 G N 0.362 109.119 108.800 -0.072 0.000 2.168 158 G HA2 -0.309 3.446 3.960 -0.341 0.000 0.257 158 G HA3 -0.309 3.446 3.960 -0.341 0.000 0.257 158 G C 0.608 175.474 174.900 -0.056 0.000 0.997 158 G CA 0.631 45.699 45.100 -0.053 0.000 0.708 158 G HN 0.575 nan 8.290 nan 0.000 0.520 159 E N -0.045 120.110 120.200 -0.076 0.000 2.474 159 E HA 0.419 4.564 4.350 -0.341 0.000 0.195 159 E C 1.411 177.966 176.600 -0.075 0.000 1.039 159 E CA 0.075 56.433 56.400 -0.069 0.000 0.881 159 E CB 0.425 30.079 29.700 -0.076 0.000 0.970 159 E HN 1.549 nan 8.360 nan 0.000 0.486 160 G N 1.928 110.677 108.800 -0.083 0.000 2.755 160 G HA2 -0.179 3.577 3.960 -0.341 0.000 0.686 160 G HA3 -0.179 3.577 3.960 -0.341 0.000 0.686 160 G C -1.070 173.774 174.900 -0.095 0.000 1.427 160 G CA -0.733 44.321 45.100 -0.076 0.000 0.873 160 G HN 0.056 nan 8.290 nan 0.000 0.580 161 D N 1.842 122.192 120.400 -0.082 0.000 2.210 161 D HA 0.573 5.008 4.640 -0.341 0.000 0.249 161 D C -1.233 175.030 176.300 -0.061 0.000 1.062 161 D CA -0.612 53.335 54.000 -0.088 0.000 0.891 161 D CB 1.360 42.120 40.800 -0.067 0.000 1.186 161 D HN 0.403 nan 8.370 nan 0.000 0.432 162 P HA 0.185 nan 4.420 nan 0.000 0.274 162 P C -2.178 175.111 177.300 -0.018 0.000 1.231 162 P CA -1.262 61.810 63.100 -0.046 0.000 0.790 162 P CB 0.722 32.388 31.700 -0.057 0.000 0.951 163 P HA -0.238 nan 4.420 nan 0.000 0.218 163 P C 0.828 178.152 177.300 0.040 0.000 1.154 163 P CA 1.701 64.803 63.100 0.003 0.000 0.872 163 P CB -0.120 31.579 31.700 -0.003 0.000 0.790 164 D N -1.539 118.879 120.400 0.029 0.000 2.158 164 D HA -0.172 4.263 4.640 -0.341 0.000 0.197 164 D C 1.683 178.051 176.300 0.114 0.000 0.995 164 D CA 1.030 55.053 54.000 0.038 0.000 0.846 164 D CB -0.583 40.187 40.800 -0.049 0.000 0.941 164 D HN 0.128 nan 8.370 nan 0.000 0.456 165 L N -0.354 120.932 121.223 0.106 0.000 2.286 165 L HA 0.343 4.478 4.340 -0.341 0.000 0.203 165 L C 1.921 178.930 176.870 0.232 0.000 1.068 165 L CA 0.993 55.948 54.840 0.191 0.000 0.811 165 L CB -0.756 41.338 42.059 0.058 0.000 0.989 165 L HN -0.028 nan 8.230 nan 0.000 0.467 166 A N -0.601 122.283 122.820 0.106 0.000 1.865 166 A HA -0.186 3.929 4.320 -0.341 0.000 0.217 166 A C 0.653 178.278 177.584 0.069 0.000 1.191 166 A CA 1.520 53.600 52.037 0.071 0.000 0.623 166 A CB -1.175 17.833 19.000 0.014 0.000 0.826 166 A HN 0.511 nan 8.150 nan 0.000 0.444 167 D N 1.421 121.832 120.400 0.018 0.000 2.356 167 D HA 0.303 4.738 4.640 -0.341 0.000 0.272 167 D C 0.076 176.353 176.300 -0.038 0.000 1.337 167 D CA 0.702 54.614 54.000 -0.146 0.000 0.970 167 D CB -0.100 40.519 40.800 -0.302 0.000 1.092 167 D HN 0.680 nan 8.370 nan 0.000 0.516 168 Q N 0.865 120.680 119.800 0.024 0.000 2.352 168 Q HA 0.741 4.876 4.340 -0.341 0.000 0.270 168 Q C -0.485 175.658 176.000 0.238 0.000 1.006 168 Q CA -1.369 54.548 55.803 0.191 0.000 0.880 168 Q CB 2.210 31.055 28.738 0.177 0.000 1.392 168 Q HN 0.346 nan 8.270 nan 0.000 0.401 169 G N 0.553 109.535 108.800 0.304 0.000 2.489 169 G HA2 0.726 4.481 3.960 -0.341 0.000 0.305 169 G HA3 0.726 4.481 3.960 -0.341 0.000 0.305 169 G C -1.450 173.483 174.900 0.055 0.000 1.311 169 G CA -0.263 44.969 45.100 0.221 0.000 0.813 169 G HN 0.734 nan 8.290 nan 0.000 0.480 170 S N -0.997 114.627 115.700 -0.127 0.000 2.645 170 S HA 0.576 4.842 4.470 -0.341 0.000 0.268 170 S C -1.646 172.676 174.600 -0.463 0.000 1.110 170 S CA -0.996 56.872 58.200 -0.553 0.000 0.823 170 S CB 1.658 64.709 63.200 -0.248 0.000 1.091 170 S HN 0.720 nan 8.310 nan 0.000 0.466 171 N N 1.300 119.632 118.700 -0.614 0.000 2.292 171 N HA 0.789 5.324 4.740 -0.341 0.000 0.303 171 N C -1.377 173.951 175.510 -0.304 0.000 1.140 171 N CA -0.585 52.156 53.050 -0.515 0.000 0.788 171 N CB 1.999 39.865 38.487 -1.036 0.000 1.361 171 N HN 0.789 nan 8.380 nan 0.000 0.489 172 S N -0.006 115.611 115.700 -0.140 0.000 2.603 172 S HA 0.587 4.853 4.470 -0.341 0.000 0.274 172 S C -1.831 172.938 174.600 0.282 0.000 1.168 172 S CA -0.942 57.295 58.200 0.063 0.000 0.963 172 S CB 1.020 64.323 63.200 0.171 0.000 1.078 172 S HN 0.431 nan 8.310 nan 0.000 0.477 173 W N 1.342 122.806 121.300 0.274 0.000 2.819 173 W HA 0.808 5.260 4.660 -0.346 0.000 0.337 173 W C -0.512 176.213 176.519 0.343 0.000 1.077 173 W CA -1.225 56.326 57.345 0.342 0.000 1.226 173 W CB 2.251 31.954 29.460 0.405 0.000 1.419 173 W HN 1.097 nan 8.180 nan 0.000 0.502 174 A N 2.541 125.673 122.820 0.520 0.000 2.414 174 A HA 0.720 4.835 4.320 -0.341 0.000 0.286 174 A C -1.643 176.073 177.584 0.219 0.000 1.073 174 A CA -0.520 51.696 52.037 0.298 0.000 0.727 174 A CB 1.106 20.250 19.000 0.241 0.000 1.215 174 A HN 0.255 nan 8.150 nan 0.000 0.430 175 V N 2.184 122.132 119.914 0.056 0.000 2.459 175 V HA 0.677 4.593 4.120 -0.341 0.000 0.295 175 V C 0.829 176.904 176.094 -0.031 0.000 1.029 175 V CA -0.302 61.995 62.300 -0.006 0.000 0.874 175 V CB 1.456 33.160 31.823 -0.197 0.000 0.985 175 V HN 1.211 nan 8.190 nan 0.000 0.438 176 A N 6.279 129.102 122.820 0.005 0.000 2.351 176 A HA 0.553 4.668 4.320 -0.341 0.000 0.257 176 A C -1.409 176.151 177.584 -0.040 0.000 1.087 176 A CA -1.104 50.921 52.037 -0.021 0.000 0.798 176 A CB 0.137 19.132 19.000 -0.008 0.000 1.033 176 A HN 0.698 nan 8.150 nan 0.000 0.488 177 P HA -0.200 nan 4.420 nan 0.000 0.216 177 P C 1.672 178.948 177.300 -0.040 0.000 1.157 177 P CA 2.258 65.332 63.100 -0.043 0.000 0.880 177 P CB 0.037 31.717 31.700 -0.034 0.000 0.791 178 G N -0.565 108.218 108.800 -0.029 0.000 2.499 178 G HA2 -0.286 3.469 3.960 -0.341 0.000 0.221 178 G HA3 -0.286 3.469 3.960 -0.341 0.000 0.221 178 G C 1.492 176.376 174.900 -0.026 0.000 1.109 178 G CA 0.753 45.839 45.100 -0.024 0.000 0.749 178 G HN 0.319 nan 8.290 nan 0.000 0.568 179 K N 0.282 120.664 120.400 -0.029 0.000 2.374 179 K HA 0.104 4.219 4.320 -0.341 0.000 0.196 179 K C 0.775 177.333 176.600 -0.070 0.000 1.023 179 K CA 0.412 56.676 56.287 -0.038 0.000 1.103 179 K CB 0.212 32.703 32.500 -0.015 0.000 0.848 179 K HN 0.402 nan 8.250 nan 0.000 0.528 180 T N -4.192 110.316 114.554 -0.076 0.000 2.950 180 T HA 0.521 4.666 4.350 -0.341 0.000 0.288 180 T C 1.017 175.675 174.700 -0.069 0.000 1.035 180 T CA -0.549 61.495 62.100 -0.093 0.000 1.028 180 T CB 1.865 70.662 68.868 -0.118 0.000 1.109 180 T HN -0.032 nan 8.240 nan 0.000 0.514 181 A N 1.244 124.023 122.820 -0.068 0.000 1.930 181 A HA 0.064 4.179 4.320 -0.341 0.000 0.215 181 A C 1.977 179.534 177.584 -0.045 0.000 1.176 181 A CA 0.668 52.673 52.037 -0.052 0.000 0.632 181 A CB -0.678 18.291 19.000 -0.050 0.000 0.819 181 A HN 0.789 nan 8.150 nan 0.000 0.445 182 N N -0.826 117.844 118.700 -0.050 0.000 2.336 182 N HA 0.163 4.698 4.740 -0.341 0.000 0.189 182 N C 1.025 176.514 175.510 -0.035 0.000 1.113 182 N CA 0.966 53.992 53.050 -0.040 0.000 0.858 182 N CB 0.441 38.904 38.487 -0.041 0.000 0.970 182 N HN 0.612 nan 8.380 nan 0.000 0.471 183 G N 0.897 109.672 108.800 -0.041 0.000 2.137 183 G HA2 -0.233 3.522 3.960 -0.341 0.000 0.237 183 G HA3 -0.233 3.522 3.960 -0.341 0.000 0.237 183 G C -0.471 174.411 174.900 -0.030 0.000 1.002 183 G CA -0.326 44.754 45.100 -0.033 0.000 0.702 183 G HN 0.281 nan 8.290 nan 0.000 0.515 184 N N 0.324 119.001 118.700 -0.039 0.000 2.314 184 N HA 0.655 5.190 4.740 -0.341 0.000 0.294 184 N C 0.402 175.891 175.510 -0.035 0.000 1.029 184 N CA 0.266 53.305 53.050 -0.019 0.000 0.845 184 N CB 1.849 40.328 38.487 -0.013 0.000 1.321 184 N HN 0.647 nan 8.380 nan 0.000 0.481 185 A N 2.210 125.033 122.820 0.006 0.000 2.520 185 A HA 0.336 4.451 4.320 -0.341 0.000 0.235 185 A C 0.065 177.655 177.584 0.011 0.000 1.065 185 A CA 0.221 52.255 52.037 -0.005 0.000 0.764 185 A CB 0.049 19.037 19.000 -0.019 0.000 1.002 185 A HN 0.643 nan 8.150 nan 0.000 0.502 186 L N 1.191 122.319 121.223 -0.158 0.000 2.342 186 L HA 0.727 4.862 4.340 -0.341 0.000 0.271 186 L C -0.683 176.088 176.870 -0.165 0.000 1.008 186 L CA -0.847 53.762 54.840 -0.385 0.000 0.818 186 L CB 1.727 43.131 42.059 -1.092 0.000 1.296 186 L HN 0.679 nan 8.230 nan 0.000 0.427 187 L N 2.773 123.985 121.223 -0.019 0.000 2.445 187 L HA 0.663 4.798 4.340 -0.341 0.000 0.262 187 L C -1.652 175.437 176.870 0.366 0.000 0.974 187 L CA -0.443 54.545 54.840 0.247 0.000 0.822 187 L CB 2.161 44.397 42.059 0.295 0.000 1.339 187 L HN 0.468 nan 8.230 nan 0.000 0.409 188 L N 3.628 125.107 121.223 0.427 0.000 2.349 188 L HA 0.595 4.730 4.340 -0.341 0.000 0.278 188 L C -1.190 175.742 176.870 0.103 0.000 0.996 188 L CA 0.066 55.041 54.840 0.225 0.000 0.825 188 L CB 1.831 43.974 42.059 0.140 0.000 1.243 188 L HN 0.709 nan 8.230 nan 0.000 0.412 189 Q N 4.662 124.472 119.800 0.017 0.000 2.325 189 Q HA 0.391 4.526 4.340 -0.341 0.000 0.262 189 Q C -0.647 175.209 176.000 -0.240 0.000 0.968 189 Q CA -0.076 55.778 55.803 0.085 0.000 0.877 189 Q CB 1.247 30.179 28.738 0.323 0.000 1.253 189 Q HN 0.725 nan 8.270 nan 0.000 0.448 190 N N 2.924 121.458 118.700 -0.276 0.000 2.673 190 N HA 0.171 4.707 4.740 -0.341 0.000 0.265 190 N C -2.746 172.395 175.510 -0.615 0.000 1.709 190 N CA -1.280 51.481 53.050 -0.482 0.000 0.792 190 N CB 1.085 39.258 38.487 -0.523 0.000 1.286 190 N HN 0.335 nan 8.380 nan 0.000 0.506 191 P HA 0.101 nan 4.420 nan 0.000 0.280 191 P C -1.172 175.908 177.300 -0.367 0.000 1.244 191 P CA 0.351 63.155 63.100 -0.492 0.000 0.784 191 P CB 0.823 32.112 31.700 -0.685 0.000 0.913 192 H N 2.630 121.598 119.070 -0.171 0.000 2.673 192 H HA 0.481 4.831 4.556 -0.342 0.000 0.293 192 H C 0.084 175.337 175.328 -0.126 0.000 1.065 192 H CA -0.668 55.209 56.048 -0.286 0.000 1.236 192 H CB 0.695 30.267 29.762 -0.316 0.000 1.389 192 H HN 0.245 nan 8.280 nan 0.000 0.481 193 L N 0.729 121.981 121.223 0.049 0.000 2.277 193 L HA 0.353 4.488 4.340 -0.341 0.000 0.254 193 L C 0.373 177.478 176.870 0.392 0.000 1.044 193 L CA -1.181 53.791 54.840 0.220 0.000 0.842 193 L CB 2.041 44.065 42.059 -0.059 0.000 1.422 193 L HN 0.423 nan 8.230 nan 0.000 0.422 194 S N -0.678 115.293 115.700 0.451 0.000 2.558 194 S HA -0.051 4.214 4.470 -0.341 0.000 0.287 194 S C 0.082 175.013 174.600 0.552 0.000 1.321 194 S CA 0.204 58.664 58.200 0.434 0.000 1.048 194 S CB 0.227 63.613 63.200 0.309 0.000 0.844 194 S HN 0.461 nan 8.310 nan 0.000 0.512 195 W N 2.258 123.687 121.300 0.214 0.000 3.256 195 W HA 0.187 4.643 4.660 -0.341 0.000 0.269 195 W C 2.220 178.827 176.519 0.147 0.000 1.310 195 W CA 0.484 58.014 57.345 0.308 0.000 1.673 195 W CB -0.856 28.756 29.460 0.253 0.000 1.115 195 W HN 0.975 nan 8.180 nan 0.000 0.686 196 T N -6.487 108.223 114.554 0.261 0.000 2.989 196 T HA 0.088 4.233 4.350 -0.341 0.000 0.250 196 T C 0.879 175.554 174.700 -0.041 0.000 0.981 196 T CA 0.118 62.274 62.100 0.094 0.000 0.980 196 T CB -0.323 68.606 68.868 0.103 0.000 1.133 196 T HN -0.282 nan 8.240 nan 0.000 0.489 197 T N 4.697 119.218 114.554 -0.055 0.000 2.738 197 T HA 0.080 4.225 4.350 -0.341 0.000 0.277 197 T C 1.095 175.570 174.700 -0.375 0.000 0.981 197 T CA 0.503 62.434 62.100 -0.281 0.000 1.211 197 T CB 0.550 69.206 68.868 -0.355 0.000 0.932 197 T HN 0.557 nan 8.240 nan 0.000 0.522 198 D N 4.099 124.272 120.400 -0.378 0.000 2.103 198 D HA -0.283 4.153 4.640 -0.341 0.000 0.190 198 D C 1.728 177.872 176.300 -0.260 0.000 0.997 198 D CA 1.867 55.697 54.000 -0.283 0.000 0.833 198 D CB -0.849 39.843 40.800 -0.180 0.000 0.961 198 D HN 0.834 nan 8.370 nan 0.000 0.447 199 Y N -1.684 118.545 120.300 -0.120 0.000 2.651 199 Y HA 0.171 4.516 4.550 -0.342 0.000 0.296 199 Y C 1.702 177.595 175.900 -0.011 0.000 1.150 199 Y CA -0.012 58.056 58.100 -0.053 0.000 1.348 199 Y CB -1.179 37.255 38.460 -0.043 0.000 0.983 199 Y HN 0.043 nan 8.280 nan 0.000 0.555 200 F N 0.070 119.851 119.950 -0.282 0.000 2.678 200 F HA 0.175 4.498 4.527 -0.340 0.000 0.305 200 F C 0.640 176.237 175.800 -0.337 0.000 1.090 200 F CA -0.595 57.271 58.000 -0.223 0.000 1.272 200 F CB 0.397 39.298 39.000 -0.164 0.000 1.060 200 F HN -0.158 nan 8.300 nan 0.000 0.576 201 T N 1.122 115.576 114.554 -0.167 0.000 2.853 201 T HA -0.009 4.136 4.350 -0.341 0.000 0.298 201 T C -0.592 173.949 174.700 -0.266 0.000 0.978 201 T CA 0.466 62.387 62.100 -0.299 0.000 1.152 201 T CB 0.011 68.610 68.868 -0.449 0.000 0.914 201 T HN 0.010 nan 8.240 nan 0.000 0.539 202 Y N 1.891 122.273 120.300 0.137 0.000 2.320 202 Y HA 0.450 4.795 4.550 -0.341 0.000 0.324 202 Y C -0.123 175.874 175.900 0.163 0.000 1.190 202 Y CA -0.721 57.467 58.100 0.146 0.000 1.215 202 Y CB 0.962 39.504 38.460 0.136 0.000 1.221 202 Y HN 0.599 nan 8.280 nan 0.000 0.486 203 Y N 2.566 122.926 120.300 0.101 0.000 2.406 203 Y HA 0.307 4.652 4.550 -0.342 0.000 0.340 203 Y C -0.785 175.055 175.900 -0.100 0.000 0.975 203 Y CA -1.499 56.629 58.100 0.047 0.000 1.056 203 Y CB 1.339 39.825 38.460 0.044 0.000 1.210 203 Y HN 0.650 nan 8.280 nan 0.000 0.448 204 E N 4.326 124.172 120.200 -0.590 0.000 2.231 204 E HA 0.774 4.920 4.350 -0.341 0.000 0.277 204 E C -1.425 174.579 176.600 -0.993 0.000 0.999 204 E CA -0.453 55.461 56.400 -0.810 0.000 0.827 204 E CB 1.043 30.370 29.700 -0.622 0.000 1.101 204 E HN 0.844 nan 8.360 nan 0.000 0.393 205 A N 3.953 126.210 122.820 -0.938 0.000 2.586 205 A HA 0.398 4.513 4.320 -0.341 0.000 0.290 205 A C -1.894 175.090 177.584 -1.000 0.000 1.086 205 A CA -0.613 50.899 52.037 -0.874 0.000 0.665 205 A CB 1.469 20.135 19.000 -0.557 0.000 1.279 205 A HN 0.812 nan 8.150 nan 0.000 0.423 206 H N 0.154 118.675 119.070 -0.915 0.000 2.840 206 H HA 0.626 4.978 4.556 -0.341 0.000 0.340 206 H C -2.061 172.949 175.328 -0.529 0.000 1.004 206 H CA -0.702 54.942 56.048 -0.674 0.000 1.288 206 H CB 0.985 30.509 29.762 -0.397 0.000 1.607 206 H HN 0.449 nan 8.280 nan 0.000 0.522 207 L N 5.827 126.867 121.223 -0.305 0.000 2.333 207 L HA 0.422 4.557 4.340 -0.341 0.000 0.280 207 L C -0.921 175.727 176.870 -0.370 0.000 1.004 207 L CA -0.645 53.969 54.840 -0.377 0.000 0.820 207 L CB 1.825 43.745 42.059 -0.231 0.000 1.247 207 L HN 0.394 nan 8.230 nan 0.000 0.416 208 V N 1.602 121.172 119.914 -0.573 0.000 2.623 208 V HA 0.810 4.725 4.120 -0.341 0.000 0.304 208 V C -0.116 175.753 176.094 -0.375 0.000 1.054 208 V CA -0.507 61.506 62.300 -0.478 0.000 0.882 208 V CB 2.069 33.559 31.823 -0.554 0.000 1.002 208 V HN 0.859 nan 8.190 nan 0.000 0.424 209 T N 1.679 115.958 114.554 -0.457 0.000 2.864 209 T HA 0.577 4.722 4.350 -0.341 0.000 0.289 209 T C -2.291 172.301 174.700 -0.180 0.000 1.082 209 T CA -1.888 60.010 62.100 -0.336 0.000 1.009 209 T CB 2.485 71.009 68.868 -0.573 0.000 1.234 209 T HN 0.379 nan 8.240 nan 0.000 0.526 210 P HA 0.064 nan 4.420 nan 0.000 0.226 210 P C 0.273 177.577 177.300 0.006 0.000 1.153 210 P CA 0.937 64.016 63.100 -0.035 0.000 0.777 210 P CB 0.153 31.840 31.700 -0.021 0.000 0.794 211 D N -1.074 119.338 120.400 0.019 0.000 2.417 211 D HA 0.128 4.564 4.640 -0.341 0.000 0.207 211 D C 0.579 177.027 176.300 0.246 0.000 1.075 211 D CA 0.376 54.461 54.000 0.141 0.000 0.851 211 D CB 0.404 41.343 40.800 0.232 0.000 0.976 211 D HN 0.287 nan 8.370 nan 0.000 0.505 212 F N -0.238 119.787 119.950 0.125 0.000 2.678 212 F HA 0.588 4.910 4.527 -0.341 0.000 0.308 212 F C -1.411 174.446 175.800 0.096 0.000 1.118 212 F CA -1.237 56.826 58.000 0.104 0.000 0.959 212 F CB 1.627 40.691 39.000 0.106 0.000 1.305 212 F HN -0.360 nan 8.300 nan 0.000 0.443 213 E N 3.232 123.642 120.200 0.350 0.000 2.256 213 E HA 0.733 4.878 4.350 -0.341 0.000 0.268 213 E C -1.657 175.117 176.600 0.290 0.000 0.877 213 E CA -1.002 55.548 56.400 0.250 0.000 0.757 213 E CB 2.530 32.356 29.700 0.210 0.000 1.183 213 E HN 0.820 nan 8.360 nan 0.000 0.418 214 I N 1.224 121.942 120.570 0.246 0.000 2.607 214 I HA 0.532 4.497 4.170 -0.341 0.000 0.290 214 I C -1.806 174.298 176.117 -0.023 0.000 1.129 214 I CA -1.005 60.355 61.300 0.100 0.000 1.042 214 I CB 1.624 39.678 38.000 0.090 0.000 1.242 214 I HN 0.526 nan 8.210 nan 0.000 0.421 215 Y N 4.406 124.463 120.300 -0.404 0.000 2.499 215 Y HA 0.900 5.245 4.550 -0.342 0.000 0.347 215 Y C 0.177 175.708 175.900 -0.615 0.000 0.987 215 Y CA 0.459 58.178 58.100 -0.635 0.000 1.044 215 Y CB 2.290 40.109 38.460 -1.068 0.000 1.245 215 Y HN 1.122 nan 8.280 nan 0.000 0.461 216 G N 1.524 109.931 108.800 -0.654 0.000 2.362 216 G HA2 0.461 4.216 3.960 -0.341 0.000 0.288 216 G HA3 0.461 4.216 3.960 -0.341 0.000 0.288 216 G C -2.090 172.404 174.900 -0.677 0.000 1.305 216 G CA -0.398 44.487 45.100 -0.358 0.000 0.910 216 G HN 1.020 nan 8.290 nan 0.000 0.518 217 A N -1.182 121.183 122.820 -0.758 0.000 2.330 217 A HA 0.998 5.113 4.320 -0.341 0.000 0.329 217 A C 0.111 177.686 177.584 -0.014 0.000 1.135 217 A CA 0.271 51.899 52.037 -0.682 0.000 0.817 217 A CB 2.040 20.206 19.000 -1.391 0.000 1.269 217 A HN 1.974 nan 8.150 nan 0.000 0.469 218 T N -0.354 114.345 114.554 0.242 0.000 2.802 218 T HA 0.439 4.584 4.350 -0.341 0.000 0.311 218 T C -1.257 173.626 174.700 0.304 0.000 1.405 218 T CA -0.450 61.880 62.100 0.382 0.000 1.016 218 T CB 1.190 70.199 68.868 0.234 0.000 1.352 218 T HN 0.712 nan 8.240 nan 0.000 0.498 219 Q N 1.882 121.766 119.800 0.140 0.000 2.352 219 Q HA 0.455 4.591 4.340 -0.341 0.000 0.260 219 Q C 0.401 176.430 176.000 0.047 0.000 0.976 219 Q CA -0.213 55.559 55.803 -0.052 0.000 0.881 219 Q CB 0.356 29.132 28.738 0.064 0.000 1.235 219 Q HN 0.652 nan 8.270 nan 0.000 0.419 220 I N -1.009 119.520 120.570 -0.068 0.000 2.752 220 I HA 0.256 4.221 4.170 -0.341 0.000 0.289 220 I C 1.045 177.147 176.117 -0.024 0.000 1.197 220 I CA 0.757 61.976 61.300 -0.136 0.000 1.432 220 I CB -0.033 37.757 38.000 -0.351 0.000 1.359 220 I HN 0.791 nan 8.210 nan 0.000 0.571 221 G N 5.004 113.797 108.800 -0.011 0.000 2.254 221 G HA2 -0.199 3.556 3.960 -0.341 0.000 0.225 221 G HA3 -0.199 3.556 3.960 -0.341 0.000 0.225 221 G C 0.103 175.214 174.900 0.351 0.000 1.003 221 G CA -0.117 45.066 45.100 0.138 0.000 0.622 221 G HN 0.629 nan 8.290 nan 0.000 0.507 222 L N 2.517 123.864 121.223 0.207 0.000 2.319 222 L HA 0.333 4.468 4.340 -0.341 0.000 0.280 222 L C -0.797 175.934 176.870 -0.232 0.000 1.099 222 L CA -1.526 53.367 54.840 0.088 0.000 0.828 222 L CB 1.374 43.516 42.059 0.138 0.000 1.150 222 L HN 0.023 nan 8.230 nan 0.000 0.442 223 P HA 0.034 nan 4.420 nan 0.000 0.249 223 P C -0.106 177.200 177.300 0.009 0.000 1.229 223 P CA 0.366 62.950 63.100 -0.859 0.000 0.788 223 P CB 0.570 31.684 31.700 -0.977 0.000 1.072 224 V N 1.042 121.037 119.914 0.135 0.000 2.789 224 V HA 0.309 4.224 4.120 -0.341 0.000 0.311 224 V C 0.391 176.577 176.094 0.155 0.000 1.073 224 V CA -0.997 61.441 62.300 0.230 0.000 0.921 224 V CB 2.744 34.743 31.823 0.294 0.000 1.009 224 V HN -0.141 nan 8.190 nan 0.000 0.426 225 I N 4.481 125.127 120.570 0.126 0.000 2.421 225 I HA 0.278 4.243 4.170 -0.341 0.000 0.291 225 I C 1.482 177.577 176.117 -0.037 0.000 1.089 225 I CA 0.011 61.345 61.300 0.058 0.000 1.354 225 I CB 0.589 38.578 38.000 -0.019 0.000 1.413 225 I HN 0.660 nan 8.210 nan 0.000 0.513 226 R N 4.240 124.672 120.500 -0.113 0.000 2.093 226 R HA 0.018 4.153 4.340 -0.341 0.000 0.224 226 R C -0.015 176.081 176.300 -0.341 0.000 1.101 226 R CA 1.186 57.034 56.100 -0.421 0.000 0.979 226 R CB 0.076 30.083 30.300 -0.490 0.000 0.877 226 R HN 0.387 nan 8.270 nan 0.000 0.441 227 F N 0.864 120.819 119.950 0.009 0.000 2.359 227 F HA 0.400 4.722 4.527 -0.342 0.000 0.355 227 F C 0.184 176.078 175.800 0.157 0.000 1.132 227 F CA -0.734 57.337 58.000 0.117 0.000 1.246 227 F CB 0.893 39.977 39.000 0.140 0.000 1.569 227 F HN -0.048 nan 8.300 nan 0.000 0.561 228 A N 2.899 125.870 122.820 0.251 0.000 2.330 228 A HA 0.962 5.078 4.320 -0.341 0.000 0.329 228 A C -1.061 176.737 177.584 0.356 0.000 1.135 228 A CA -0.526 51.632 52.037 0.201 0.000 0.817 228 A CB 1.461 20.522 19.000 0.101 0.000 1.269 228 A HN 0.565 nan 8.150 nan 0.000 0.469 229 F N -0.291 119.793 119.950 0.222 0.000 2.741 229 F HA 0.731 5.053 4.527 -0.341 0.000 0.311 229 F C -0.920 175.008 175.800 0.213 0.000 1.149 229 F CA -1.003 57.145 58.000 0.246 0.000 0.930 229 F CB 0.817 39.975 39.000 0.262 0.000 1.312 229 F HN 0.781 nan 8.300 nan 0.000 0.450 230 N N -0.776 118.218 118.700 0.491 0.000 3.522 230 N HA 0.244 4.779 4.740 -0.341 0.000 0.328 230 N C -0.141 175.601 175.510 0.387 0.000 1.623 230 N CA -0.672 52.561 53.050 0.306 0.000 0.812 230 N CB 0.197 38.805 38.487 0.201 0.000 2.008 230 N HN 0.501 nan 8.380 nan 0.000 0.601 231 Q N -0.574 119.379 119.800 0.256 0.000 2.364 231 Q HA -0.031 4.104 4.340 -0.341 0.000 0.209 231 Q C 1.148 177.304 176.000 0.261 0.000 0.977 231 Q CA 1.210 57.149 55.803 0.225 0.000 0.885 231 Q CB -0.027 28.806 28.738 0.158 0.000 0.941 231 Q HN 0.622 nan 8.270 nan 0.000 0.464 232 R N -0.764 119.880 120.500 0.239 0.000 2.191 232 R HA 0.173 4.309 4.340 -0.341 0.000 0.196 232 R C 0.656 176.935 176.300 -0.035 0.000 0.991 232 R CA 0.459 56.641 56.100 0.136 0.000 1.075 232 R CB 0.563 30.920 30.300 0.094 0.000 1.040 232 R HN 0.247 nan 8.270 nan 0.000 0.526 233 M N -2.656 116.935 119.600 -0.016 0.000 2.924 233 M HA 0.683 4.958 4.480 -0.341 0.000 0.271 233 M C -0.885 175.390 176.300 -0.041 0.000 1.280 233 M CA -0.945 54.088 55.300 -0.446 0.000 0.813 233 M CB 2.329 34.718 32.600 -0.352 0.000 1.658 233 M HN -0.042 nan 8.290 nan 0.000 0.467 234 G N 0.382 109.014 108.800 -0.280 0.000 2.601 234 G HA2 0.707 4.462 3.960 -0.341 0.000 0.291 234 G HA3 0.707 4.462 3.960 -0.341 0.000 0.291 234 G C -1.870 173.006 174.900 -0.041 0.000 1.456 234 G CA -0.668 44.540 45.100 0.181 0.000 0.804 234 G HN 1.400 nan 8.290 nan 0.000 0.499 235 I N -2.531 118.119 120.570 0.134 0.000 3.279 235 I HA 0.961 4.926 4.170 -0.341 0.000 0.315 235 I C -0.896 175.320 176.117 0.165 0.000 1.187 235 I CA -1.000 60.368 61.300 0.114 0.000 0.953 235 I CB 2.258 40.345 38.000 0.144 0.000 1.279 235 I HN 0.788 nan 8.210 nan 0.000 0.465 236 T N 0.613 115.233 114.554 0.111 0.000 2.802 236 T HA 0.474 4.620 4.350 -0.341 0.000 0.311 236 T C -1.731 172.920 174.700 -0.083 0.000 1.405 236 T CA -0.681 61.449 62.100 0.049 0.000 1.016 236 T CB 1.807 70.840 68.868 0.276 0.000 1.352 236 T HN 0.856 nan 8.240 nan 0.000 0.498 237 N N 0.947 119.480 118.700 -0.279 0.000 2.380 237 N HA 0.718 5.253 4.740 -0.341 0.000 0.290 237 N C -1.245 174.282 175.510 0.029 0.000 1.236 237 N CA -0.667 52.257 53.050 -0.210 0.000 0.780 237 N CB 2.275 40.387 38.487 -0.625 0.000 1.438 237 N HN 0.845 nan 8.380 nan 0.000 0.491 238 T N -3.075 111.515 114.554 0.060 0.000 3.041 238 T HA 0.319 4.465 4.350 -0.341 0.000 0.321 238 T C -0.248 174.581 174.700 0.215 0.000 1.184 238 T CA -0.908 61.266 62.100 0.122 0.000 1.050 238 T CB 0.641 69.575 68.868 0.110 0.000 1.159 238 T HN 0.296 nan 8.240 nan 0.000 0.469 239 V N 2.304 122.376 119.914 0.263 0.000 2.585 239 V HA 0.356 4.271 4.120 -0.341 0.000 0.296 239 V C 0.799 176.975 176.094 0.136 0.000 1.035 239 V CA 0.032 62.509 62.300 0.295 0.000 1.084 239 V CB -0.252 31.757 31.823 0.310 0.000 0.953 239 V HN 1.040 nan 8.190 nan 0.000 0.483 240 N N 2.442 121.150 118.700 0.013 0.000 2.197 240 N HA 0.237 4.772 4.740 -0.341 0.000 0.201 240 N C 1.243 176.740 175.510 -0.022 0.000 1.148 240 N CA 0.390 53.406 53.050 -0.056 0.000 0.883 240 N CB 0.544 38.778 38.487 -0.423 0.000 1.012 240 N HN 1.597 nan 8.380 nan 0.000 0.507 241 G N 0.810 109.593 108.800 -0.028 0.000 2.153 241 G HA2 -0.361 3.395 3.960 -0.341 0.000 0.252 241 G HA3 -0.361 3.395 3.960 -0.341 0.000 0.252 241 G C 0.064 174.959 174.900 -0.009 0.000 0.994 241 G CA 0.385 45.495 45.100 0.017 0.000 0.698 241 G HN 0.557 nan 8.290 nan 0.000 0.521 242 M N 0.917 120.440 119.600 -0.129 0.000 2.366 242 M HA 0.217 4.493 4.480 -0.341 0.000 0.414 242 M C 0.669 176.943 176.300 -0.043 0.000 1.578 242 M CA 0.465 55.692 55.300 -0.122 0.000 0.892 242 M CB 0.397 32.823 32.600 -0.289 0.000 2.082 242 M HN 0.291 nan 8.290 nan 0.000 0.498 243 V N 7.361 127.292 119.914 0.029 0.000 2.242 243 V HA 0.216 4.132 4.120 -0.341 0.000 0.242 243 V C 1.412 177.472 176.094 -0.056 0.000 1.240 243 V CA 0.628 62.941 62.300 0.021 0.000 1.211 243 V CB -0.915 30.957 31.823 0.081 0.000 1.338 243 V HN 1.063 nan 8.190 nan 0.000 0.499 244 G N 2.842 111.601 108.800 -0.068 0.000 3.189 244 G HA2 0.527 4.282 3.960 -0.341 0.000 0.225 244 G HA3 0.527 4.282 3.960 -0.341 0.000 0.225 244 G C 0.384 175.269 174.900 -0.024 0.000 1.159 244 G CA 0.665 45.700 45.100 -0.109 0.000 0.763 244 G HN 0.809 nan 8.290 nan 0.000 0.549 245 A N -0.588 122.268 122.820 0.059 0.000 2.498 245 A HA 0.815 4.930 4.320 -0.341 0.000 0.298 245 A C -0.709 177.036 177.584 0.268 0.000 1.075 245 A CA -0.447 51.718 52.037 0.215 0.000 0.714 245 A CB 1.623 20.711 19.000 0.147 0.000 1.299 245 A HN 0.033 nan 8.150 nan 0.000 0.407 246 T N 1.690 116.491 114.554 0.412 0.000 2.848 246 T HA 0.424 4.569 4.350 -0.341 0.000 0.285 246 T C -0.567 174.195 174.700 0.102 0.000 0.995 246 T CA -0.387 61.866 62.100 0.254 0.000 0.970 246 T CB 0.902 70.009 68.868 0.398 0.000 0.976 246 T HN 0.637 nan 8.240 nan 0.000 0.441 247 N N 1.898 120.564 118.700 -0.056 0.000 2.437 247 N HA 0.422 4.957 4.740 -0.341 0.000 0.259 247 N C -1.379 174.035 175.510 -0.161 0.000 0.983 247 N CA -0.531 52.516 53.050 -0.004 0.000 0.937 247 N CB 0.878 39.366 38.487 0.002 0.000 1.122 247 N HN 0.496 nan 8.380 nan 0.000 0.499 248 Y N 0.840 121.127 120.300 -0.023 0.000 2.341 248 Y HA 0.299 4.645 4.550 -0.341 0.000 0.337 248 Y C 0.562 176.393 175.900 -0.114 0.000 1.014 248 Y CA -0.941 57.085 58.100 -0.123 0.000 1.111 248 Y CB 0.996 39.257 38.460 -0.332 0.000 1.194 248 Y HN 0.305 nan 8.280 nan 0.000 0.462 249 R N 4.650 125.181 120.500 0.051 0.000 2.248 249 R HA 0.396 4.531 4.340 -0.341 0.000 0.328 249 R C -1.281 175.059 176.300 0.067 0.000 1.067 249 R CA -0.215 55.911 56.100 0.045 0.000 0.924 249 R CB 0.079 30.392 30.300 0.022 0.000 1.013 249 R HN 0.783 nan 8.270 nan 0.000 0.454 250 L N 3.131 124.397 121.223 0.071 0.000 2.399 250 L HA 0.311 4.446 4.340 -0.341 0.000 0.266 250 L C 0.272 177.234 176.870 0.154 0.000 1.114 250 L CA -0.588 54.320 54.840 0.114 0.000 0.804 250 L CB 1.778 43.910 42.059 0.122 0.000 1.146 250 L HN 0.618 nan 8.230 nan 0.000 0.451 251 T N 3.531 118.203 114.554 0.197 0.000 2.853 251 T HA 0.421 4.566 4.350 -0.341 0.000 0.317 251 T C 0.064 174.878 174.700 0.191 0.000 1.059 251 T CA -0.447 61.751 62.100 0.164 0.000 0.954 251 T CB 0.109 69.063 68.868 0.143 0.000 0.994 251 T HN 0.253 nan 8.240 nan 0.000 0.479 252 L N 3.769 125.102 121.223 0.182 0.000 2.380 252 L HA 0.482 4.618 4.340 -0.341 0.000 0.273 252 L C 0.368 177.322 176.870 0.138 0.000 1.138 252 L CA -0.062 54.902 54.840 0.207 0.000 0.832 252 L CB 0.595 42.775 42.059 0.201 0.000 1.124 252 L HN 0.584 nan 8.230 nan 0.000 0.454 253 Q N 2.247 122.121 119.800 0.122 0.000 2.503 253 Q HA 0.093 4.228 4.340 -0.341 0.000 0.268 253 Q C -1.331 174.699 176.000 0.050 0.000 0.982 253 Q CA -0.691 55.155 55.803 0.071 0.000 0.907 253 Q CB 1.745 30.511 28.738 0.046 0.000 1.467 253 Q HN 0.704 nan 8.270 nan 0.000 0.394 254 D N 2.477 122.902 120.400 0.042 0.000 2.702 254 D HA -0.233 4.202 4.640 -0.341 0.000 0.233 254 D C 0.654 176.979 176.300 0.042 0.000 1.164 254 D CA 1.920 55.938 54.000 0.030 0.000 0.638 254 D CB -1.263 39.539 40.800 0.003 0.000 1.041 254 D HN 1.120 nan 8.370 nan 0.000 0.422 255 G N -1.598 107.254 108.800 0.087 0.000 2.155 255 G HA2 -0.140 3.615 3.960 -0.341 0.000 0.257 255 G HA3 -0.140 3.615 3.960 -0.341 0.000 0.257 255 G C 0.632 175.641 174.900 0.182 0.000 0.983 255 G CA 0.719 45.898 45.100 0.132 0.000 0.676 255 G HN 1.018 nan 8.290 nan 0.000 0.528 256 G N -1.057 107.800 108.800 0.096 0.000 3.085 256 G HA2 0.840 4.595 3.960 -0.341 0.000 0.264 256 G HA3 0.840 4.595 3.960 -0.341 0.000 0.264 256 G C -0.911 173.923 174.900 -0.109 0.000 1.206 256 G CA -0.082 44.930 45.100 -0.147 0.000 0.809 256 G HN 1.362 nan 8.290 nan 0.000 0.592 257 Y N -1.269 118.767 120.300 -0.440 0.000 2.477 257 Y HA 0.779 5.124 4.550 -0.341 0.000 0.347 257 Y C -0.828 175.032 175.900 -0.066 0.000 0.981 257 Y CA -1.829 56.158 58.100 -0.188 0.000 1.033 257 Y CB 1.472 39.802 38.460 -0.217 0.000 1.245 257 Y HN 0.474 nan 8.280 nan 0.000 0.455 258 L N 4.298 125.556 121.223 0.059 0.000 2.410 258 L HA 0.346 4.481 4.340 -0.341 0.000 0.273 258 L C -1.349 175.618 176.870 0.163 0.000 1.152 258 L CA 0.064 54.924 54.840 0.034 0.000 0.855 258 L CB -0.069 42.034 42.059 0.072 0.000 1.129 258 L HN 0.759 nan 8.230 nan 0.000 0.463 259 Y N 4.094 124.337 120.300 -0.094 0.000 2.323 259 Y HA 0.257 4.602 4.550 -0.342 0.000 0.322 259 Y C -0.188 175.690 175.900 -0.038 0.000 1.133 259 Y CA -1.085 57.004 58.100 -0.018 0.000 1.093 259 Y CB 0.837 39.241 38.460 -0.093 0.000 1.203 259 Y HN 0.791 nan 8.280 nan 0.000 0.427 260 D N 4.255 124.485 120.400 -0.284 0.000 2.772 260 D HA -0.178 4.257 4.640 -0.341 0.000 0.233 260 D C 1.261 177.507 176.300 -0.090 0.000 1.143 260 D CA 2.361 56.227 54.000 -0.223 0.000 0.700 260 D CB -1.107 39.528 40.800 -0.274 0.000 1.076 260 D HN 1.330 nan 8.370 nan 0.000 0.430 261 G N -1.167 107.603 108.800 -0.050 0.000 2.234 261 G HA2 -0.372 3.384 3.960 -0.341 0.000 0.260 261 G HA3 -0.372 3.384 3.960 -0.341 0.000 0.260 261 G C 0.260 175.143 174.900 -0.029 0.000 0.987 261 G CA 0.714 45.798 45.100 -0.028 0.000 0.625 261 G HN 0.536 nan 8.290 nan 0.000 0.532 262 Q N -0.390 119.389 119.800 -0.035 0.000 2.266 262 Q HA 0.653 4.788 4.340 -0.341 0.000 0.261 262 Q C -0.199 175.739 176.000 -0.103 0.000 0.985 262 Q CA -0.911 54.859 55.803 -0.054 0.000 0.873 262 Q CB 2.889 31.599 28.738 -0.047 0.000 1.306 262 Q HN 0.121 nan 8.270 nan 0.000 0.447 263 V N 3.309 123.145 119.914 -0.130 0.000 2.405 263 V HA 0.198 4.113 4.120 -0.341 0.000 0.264 263 V C 0.002 175.905 176.094 -0.318 0.000 1.048 263 V CA -0.290 61.884 62.300 -0.210 0.000 0.966 263 V CB 0.179 31.922 31.823 -0.133 0.000 1.015 263 V HN 0.559 nan 8.190 nan 0.000 0.477 264 R N 6.699 126.826 120.500 -0.622 0.000 2.486 264 R HA 0.504 4.639 4.340 -0.341 0.000 0.286 264 R C -2.546 173.382 176.300 -0.620 0.000 0.999 264 R CA -2.355 53.333 56.100 -0.688 0.000 0.993 264 R CB 1.623 31.286 30.300 -1.063 0.000 1.084 264 R HN 0.398 nan 8.270 nan 0.000 0.487 265 P HA 0.256 nan 4.420 nan 0.000 0.284 265 P C -0.689 176.588 177.300 -0.038 0.000 1.258 265 P CA -0.389 62.620 63.100 -0.151 0.000 0.824 265 P CB 0.604 32.270 31.700 -0.057 0.000 1.038 266 F N 0.094 120.138 119.950 0.157 0.000 2.380 266 F HA 0.247 4.569 4.527 -0.342 0.000 0.325 266 F C 1.550 177.370 175.800 0.034 0.000 1.136 266 F CA -0.125 57.944 58.000 0.114 0.000 1.171 266 F CB 0.436 39.466 39.000 0.049 0.000 1.230 266 F HN 0.322 nan 8.300 nan 0.000 0.554 267 E N 1.995 122.324 120.200 0.214 0.000 2.259 267 E HA 0.335 4.480 4.350 -0.341 0.000 0.281 267 E C -0.983 175.658 176.600 0.069 0.000 1.027 267 E CA -0.642 55.813 56.400 0.091 0.000 0.838 267 E CB 0.637 30.360 29.700 0.038 0.000 1.066 267 E HN 0.536 nan 8.360 nan 0.000 0.401 268 R N 5.203 125.725 120.500 0.037 0.000 2.412 268 R HA 0.361 4.496 4.340 -0.341 0.000 0.304 268 R C -2.501 173.785 176.300 -0.023 0.000 1.066 268 R CA -1.645 54.454 56.100 -0.002 0.000 0.923 268 R CB 1.761 32.068 30.300 0.011 0.000 1.156 268 R HN 0.359 nan 8.270 nan 0.000 0.513 269 P HA 0.209 nan 4.420 nan 0.000 0.303 269 P C -1.053 176.218 177.300 -0.049 0.000 1.350 269 P CA -0.801 62.273 63.100 -0.044 0.000 0.880 269 P CB 1.431 33.100 31.700 -0.053 0.000 1.018 270 Q N 1.873 121.650 119.800 -0.039 0.000 2.421 270 Q HA 0.577 4.713 4.340 -0.341 0.000 0.242 270 Q C -0.148 175.830 176.000 -0.036 0.000 1.024 270 Q CA -0.094 55.686 55.803 -0.038 0.000 0.891 270 Q CB 1.340 30.058 28.738 -0.033 0.000 1.222 270 Q HN 0.475 nan 8.270 nan 0.000 0.483 271 A N 2.008 124.809 122.820 -0.033 0.000 2.468 271 A HA 0.906 5.021 4.320 -0.341 0.000 0.277 271 A C -0.238 177.340 177.584 -0.009 0.000 1.203 271 A CA -0.233 51.793 52.037 -0.020 0.000 0.932 271 A CB 1.164 20.155 19.000 -0.015 0.000 1.438 271 A HN 0.730 nan 8.150 nan 0.000 0.468 272 S N -2.368 113.341 115.700 0.016 0.000 2.611 272 S HA 0.665 4.930 4.470 -0.341 0.000 0.270 272 S C -1.114 173.524 174.600 0.063 0.000 1.131 272 S CA -0.269 57.920 58.200 -0.018 0.000 0.826 272 S CB 0.534 63.678 63.200 -0.094 0.000 1.095 272 S HN 2.039 nan 8.310 nan 0.000 0.461 273 Y N -1.098 119.160 120.300 -0.069 0.000 2.670 273 Y HA 0.826 5.172 4.550 -0.341 0.000 0.334 273 Y C -0.867 174.983 175.900 -0.083 0.000 1.185 273 Y CA -1.438 56.611 58.100 -0.085 0.000 1.053 273 Y CB 0.812 39.221 38.460 -0.085 0.000 1.298 273 Y HN 0.825 nan 8.280 nan 0.000 0.459 274 R N 1.217 121.735 120.500 0.030 0.000 2.486 274 R HA 0.647 4.783 4.340 -0.341 0.000 0.286 274 R C -1.696 174.633 176.300 0.048 0.000 0.999 274 R CA -1.082 54.986 56.100 -0.053 0.000 0.993 274 R CB 1.765 32.020 30.300 -0.076 0.000 1.084 274 R HN 0.684 nan 8.270 nan 0.000 0.487 275 L N 2.647 123.865 121.223 -0.008 0.000 2.377 275 L HA 0.363 4.498 4.340 -0.341 0.000 0.270 275 L C -0.598 176.280 176.870 0.013 0.000 0.991 275 L CA -0.788 54.085 54.840 0.055 0.000 0.851 275 L CB 1.142 43.243 42.059 0.070 0.000 1.218 275 L HN 0.387 nan 8.230 nan 0.000 0.420 276 R N 3.095 123.598 120.500 0.004 0.000 2.537 276 R HA 0.160 4.296 4.340 -0.341 0.000 0.281 276 R C -0.282 176.035 176.300 0.027 0.000 0.988 276 R CA 0.497 56.596 56.100 -0.002 0.000 1.077 276 R CB 0.255 30.544 30.300 -0.017 0.000 0.932 276 R HN 0.592 nan 8.270 nan 0.000 0.409 277 Q N 2.818 122.628 119.800 0.017 0.000 2.199 277 Q HA 0.310 4.446 4.340 -0.341 0.000 0.232 277 Q C 0.872 176.891 176.000 0.032 0.000 0.969 277 Q CA 0.200 56.017 55.803 0.024 0.000 0.925 277 Q CB 1.168 29.912 28.738 0.010 0.000 1.198 277 Q HN 0.747 nan 8.270 nan 0.000 0.494 278 A N 1.247 124.087 122.820 0.034 0.000 1.940 278 A HA -0.213 3.902 4.320 -0.341 0.000 0.219 278 A C 1.167 178.767 177.584 0.028 0.000 1.176 278 A CA 2.179 54.238 52.037 0.036 0.000 0.631 278 A CB -0.479 18.540 19.000 0.032 0.000 0.814 278 A HN 0.783 nan 8.150 nan 0.000 0.446 279 D N -2.413 117.998 120.400 0.019 0.000 2.349 279 D HA 0.271 4.706 4.640 -0.341 0.000 0.224 279 D C 1.181 177.487 176.300 0.011 0.000 1.029 279 D CA 1.073 55.080 54.000 0.013 0.000 0.879 279 D CB -0.481 40.324 40.800 0.007 0.000 0.906 279 D HN 0.819 nan 8.370 nan 0.000 0.528 280 G N -0.327 108.481 108.800 0.014 0.000 2.194 280 G HA2 -0.254 3.501 3.960 -0.341 0.000 0.236 280 G HA3 -0.254 3.501 3.960 -0.341 0.000 0.236 280 G C 0.544 175.443 174.900 -0.002 0.000 0.987 280 G CA 0.429 45.534 45.100 0.009 0.000 0.635 280 G HN 0.789 nan 8.290 nan 0.000 0.520 281 T N -0.758 113.793 114.554 -0.004 0.000 2.862 281 T HA 0.727 4.873 4.350 -0.341 0.000 0.276 281 T C 0.394 175.084 174.700 -0.017 0.000 0.974 281 T CA 0.669 62.762 62.100 -0.012 0.000 0.966 281 T CB 1.881 70.742 68.868 -0.012 0.000 1.072 281 T HN 1.294 nan 8.240 nan 0.000 0.538 282 T N -1.812 112.726 114.554 -0.026 0.000 2.916 282 T HA 0.701 4.846 4.350 -0.341 0.000 0.292 282 T C -0.293 174.381 174.700 -0.043 0.000 1.064 282 T CA -0.711 61.368 62.100 -0.035 0.000 1.011 282 T CB 1.316 70.154 68.868 -0.049 0.000 1.152 282 T HN 1.316 nan 8.240 nan 0.000 0.510 283 V N -1.265 118.616 119.914 -0.055 0.000 2.735 283 V HA 0.646 4.562 4.120 -0.341 0.000 0.310 283 V C -1.157 174.865 176.094 -0.119 0.000 1.061 283 V CA -1.061 61.195 62.300 -0.073 0.000 0.913 283 V CB 1.807 33.591 31.823 -0.065 0.000 1.005 283 V HN 0.897 nan 8.190 nan 0.000 0.428 284 D N 3.122 123.445 120.400 -0.128 0.000 2.308 284 D HA 0.423 4.858 4.640 -0.341 0.000 0.251 284 D C -0.313 175.839 176.300 -0.248 0.000 1.127 284 D CA 0.155 54.048 54.000 -0.179 0.000 0.876 284 D CB 1.606 42.328 40.800 -0.131 0.000 1.176 284 D HN 0.615 nan 8.370 nan 0.000 0.446 285 K N 2.813 122.953 120.400 -0.432 0.000 2.376 285 K HA 0.406 4.521 4.320 -0.341 0.000 0.257 285 K C -2.585 173.751 176.600 -0.439 0.000 0.939 285 K CA -1.757 54.237 56.287 -0.488 0.000 0.809 285 K CB 2.342 34.411 32.500 -0.719 0.000 1.121 285 K HN 0.078 nan 8.250 nan 0.000 0.425 286 P HA 0.121 nan 4.420 nan 0.000 0.272 286 P C -1.242 176.012 177.300 -0.075 0.000 1.223 286 P CA -0.551 62.470 63.100 -0.132 0.000 0.784 286 P CB 0.515 32.162 31.700 -0.088 0.000 0.923 287 L N 1.264 122.477 121.223 -0.016 0.000 2.620 287 L HA 0.300 4.435 4.340 -0.341 0.000 0.261 287 L C -0.618 176.240 176.870 -0.020 0.000 0.978 287 L CA -0.417 54.448 54.840 0.041 0.000 0.897 287 L CB 1.275 43.443 42.059 0.183 0.000 1.207 287 L HN 0.266 nan 8.230 nan 0.000 0.425 288 E N 5.080 125.248 120.200 -0.053 0.000 2.194 288 E HA 0.383 4.528 4.350 -0.341 0.000 0.284 288 E C -0.938 175.581 176.600 -0.135 0.000 1.035 288 E CA -0.378 55.971 56.400 -0.086 0.000 0.836 288 E CB 0.759 30.404 29.700 -0.093 0.000 1.070 288 E HN 0.653 nan 8.360 nan 0.000 0.401 289 I N 5.726 126.213 120.570 -0.139 0.000 2.307 289 I HA 0.288 4.253 4.170 -0.341 0.000 0.289 289 I C 0.278 176.279 176.117 -0.194 0.000 1.021 289 I CA -0.422 60.760 61.300 -0.196 0.000 1.224 289 I CB 0.918 38.817 38.000 -0.167 0.000 1.376 289 I HN 0.392 nan 8.210 nan 0.000 0.470 290 R N 4.090 124.428 120.500 -0.271 0.000 2.474 290 R HA 0.677 4.812 4.340 -0.341 0.000 0.295 290 R C -0.777 175.414 176.300 -0.181 0.000 0.980 290 R CA -0.590 55.358 56.100 -0.252 0.000 0.934 290 R CB 2.059 32.044 30.300 -0.525 0.000 1.101 290 R HN 0.478 nan 8.270 nan 0.000 0.469 291 S N 0.626 116.317 115.700 -0.014 0.000 2.571 291 S HA 0.314 4.579 4.470 -0.341 0.000 0.284 291 S C -0.546 174.114 174.600 0.101 0.000 1.128 291 S CA -0.784 57.421 58.200 0.008 0.000 0.970 291 S CB 1.883 65.067 63.200 -0.026 0.000 1.039 291 S HN 0.705 nan 8.310 nan 0.000 0.485 292 S N 1.150 116.829 115.700 -0.034 0.000 2.738 292 S HA 0.485 4.750 4.470 -0.341 0.000 0.284 292 S C 1.199 175.689 174.600 -0.183 0.000 1.146 292 S CA -0.600 57.406 58.200 -0.325 0.000 0.997 292 S CB 0.770 63.527 63.200 -0.739 0.000 1.081 292 S HN 0.475 nan 8.310 nan 0.000 0.553 293 V N 1.256 121.021 119.914 -0.248 0.000 2.688 293 V HA -0.170 3.746 4.120 -0.341 0.000 0.256 293 V C 2.009 177.845 176.094 -0.430 0.000 1.084 293 V CA 2.243 64.327 62.300 -0.361 0.000 1.103 293 V CB -1.493 29.975 31.823 -0.591 0.000 0.688 293 V HN 0.915 nan 8.190 nan 0.000 0.480 294 H N 0.171 119.011 119.070 -0.383 0.000 2.307 294 H HA 0.436 4.787 4.556 -0.341 0.000 0.303 294 H C 1.042 176.242 175.328 -0.213 0.000 1.073 294 H CA 1.126 56.923 56.048 -0.418 0.000 1.338 294 H CB -0.203 29.206 29.762 -0.589 0.000 1.389 294 H HN 0.611 nan 8.280 nan 0.000 0.503 295 G N -1.587 107.221 108.800 0.012 0.000 2.333 295 G HA2 0.183 3.938 3.960 -0.341 0.000 0.288 295 G HA3 0.183 3.938 3.960 -0.341 0.000 0.288 295 G C -2.854 172.062 174.900 0.026 0.000 1.286 295 G CA -1.208 43.912 45.100 0.033 0.000 0.865 295 G HN -0.139 nan 8.290 nan 0.000 0.506 296 P HA 0.321 nan 4.420 nan 0.000 0.264 296 P C -0.132 177.132 177.300 -0.061 0.000 1.183 296 P CA -0.076 62.979 63.100 -0.075 0.000 0.763 296 P CB 0.935 32.590 31.700 -0.075 0.000 0.807 297 V N 5.288 125.053 119.914 -0.248 0.000 2.439 297 V HA 0.389 4.304 4.120 -0.341 0.000 0.282 297 V C -0.003 175.849 176.094 -0.403 0.000 1.039 297 V CA 0.007 62.188 62.300 -0.199 0.000 0.913 297 V CB 0.145 31.816 31.823 -0.253 0.000 0.983 297 V HN 0.369 nan 8.190 nan 0.000 0.460 298 F N 2.052 121.998 119.950 -0.006 0.000 2.561 298 F HA 0.562 4.884 4.527 -0.341 0.000 0.321 298 F C 0.225 176.029 175.800 0.008 0.000 1.065 298 F CA -0.779 57.235 58.000 0.024 0.000 0.934 298 F CB 1.837 40.905 39.000 0.113 0.000 1.215 298 F HN 0.431 nan 8.300 nan 0.000 0.471 299 E N 2.425 122.734 120.200 0.182 0.000 2.176 299 E HA 0.421 4.566 4.350 -0.341 0.000 0.267 299 E C -0.716 175.950 176.600 0.109 0.000 0.893 299 E CA -0.688 55.772 56.400 0.101 0.000 0.761 299 E CB 1.168 30.891 29.700 0.039 0.000 1.133 299 E HN 0.587 nan 8.360 nan 0.000 0.409 300 R N 1.859 122.407 120.500 0.081 0.000 2.583 300 R HA 0.311 4.447 4.340 -0.341 0.000 0.268 300 R C 1.028 177.351 176.300 0.039 0.000 1.101 300 R CA 0.319 56.452 56.100 0.055 0.000 1.180 300 R CB 0.593 30.916 30.300 0.038 0.000 1.128 300 R HN 0.676 nan 8.270 nan 0.000 0.568 301 A N 1.226 124.061 122.820 0.025 0.000 1.972 301 A HA -0.193 3.922 4.320 -0.341 0.000 0.219 301 A C 1.247 178.841 177.584 0.017 0.000 1.169 301 A CA 2.007 54.055 52.037 0.018 0.000 0.635 301 A CB -0.589 18.416 19.000 0.009 0.000 0.810 301 A HN 0.858 nan 8.150 nan 0.000 0.446 302 D N -2.398 118.012 120.400 0.016 0.000 2.352 302 D HA 0.303 4.738 4.640 -0.341 0.000 0.232 302 D C 1.142 177.455 176.300 0.021 0.000 1.055 302 D CA 0.948 54.957 54.000 0.016 0.000 0.891 302 D CB -0.460 40.347 40.800 0.012 0.000 0.897 302 D HN 0.715 nan 8.370 nan 0.000 0.529 303 G N -0.744 108.072 108.800 0.026 0.000 2.195 303 G HA2 -0.281 3.474 3.960 -0.341 0.000 0.246 303 G HA3 -0.281 3.474 3.960 -0.341 0.000 0.246 303 G C 0.464 175.387 174.900 0.038 0.000 0.984 303 G CA 0.239 45.357 45.100 0.030 0.000 0.633 303 G HN 0.448 nan 8.290 nan 0.000 0.525 304 T N 1.799 116.376 114.554 0.039 0.000 2.853 304 T HA 0.505 4.650 4.350 -0.341 0.000 0.298 304 T C 0.663 175.398 174.700 0.059 0.000 0.978 304 T CA 0.694 62.822 62.100 0.047 0.000 1.152 304 T CB 1.429 70.320 68.868 0.038 0.000 0.914 304 T HN 1.356 nan 8.240 nan 0.000 0.539 305 A N 4.169 127.029 122.820 0.067 0.000 2.310 305 A HA 0.555 4.670 4.320 -0.341 0.000 0.300 305 A C -0.076 177.557 177.584 0.082 0.000 1.269 305 A CA -0.591 51.488 52.037 0.071 0.000 0.909 305 A CB 0.161 19.210 19.000 0.082 0.000 1.144 305 A HN 0.692 nan 8.150 nan 0.000 0.540 306 V N 2.488 122.469 119.914 0.111 0.000 2.417 306 V HA 0.625 4.540 4.120 -0.341 0.000 0.291 306 V C 0.543 176.745 176.094 0.180 0.000 1.024 306 V CA -0.411 61.968 62.300 0.131 0.000 0.861 306 V CB 1.365 33.271 31.823 0.137 0.000 0.985 306 V HN 1.051 nan 8.190 nan 0.000 0.436 307 A N 4.326 127.225 122.820 0.132 0.000 2.290 307 A HA 0.733 4.848 4.320 -0.341 0.000 0.310 307 A C -0.495 177.260 177.584 0.285 0.000 1.202 307 A CA -0.488 51.636 52.037 0.145 0.000 0.837 307 A CB 1.409 20.387 19.000 -0.036 0.000 1.139 307 A HN 0.913 nan 8.150 nan 0.000 0.509 308 V N 4.211 124.319 119.914 0.323 0.000 2.347 308 V HA 0.526 4.441 4.120 -0.341 0.000 0.280 308 V C 0.127 176.413 176.094 0.319 0.000 1.021 308 V CA -0.702 61.802 62.300 0.339 0.000 0.847 308 V CB 1.079 33.103 31.823 0.334 0.000 0.990 308 V HN 0.907 nan 8.190 nan 0.000 0.444 309 R N 5.428 126.162 120.500 0.390 0.000 2.215 309 R HA 0.627 4.763 4.340 -0.341 0.000 0.336 309 R C -1.434 175.124 176.300 0.430 0.000 0.996 309 R CA -0.409 55.879 56.100 0.313 0.000 0.847 309 R CB 1.448 31.880 30.300 0.220 0.000 1.127 309 R HN 0.627 nan 8.270 nan 0.000 0.465 310 V N 4.081 124.199 119.914 0.340 0.000 2.427 310 V HA 0.480 4.395 4.120 -0.341 0.000 0.286 310 V C 0.434 176.767 176.094 0.398 0.000 1.034 310 V CA -0.743 61.736 62.300 0.298 0.000 0.893 310 V CB 1.412 33.281 31.823 0.075 0.000 0.982 310 V HN 0.934 nan 8.190 nan 0.000 0.452 311 A N 3.347 126.381 122.820 0.356 0.000 2.304 311 A HA 0.642 4.757 4.320 -0.341 0.000 0.271 311 A C 1.352 179.048 177.584 0.187 0.000 1.091 311 A CA 0.321 52.528 52.037 0.283 0.000 0.812 311 A CB 0.109 19.093 19.000 -0.026 0.000 1.056 311 A HN 2.177 nan 8.150 nan 0.000 0.489 312 G N -0.266 108.638 108.800 0.174 0.000 2.179 312 G HA2 -0.223 3.532 3.960 -0.341 0.000 0.257 312 G HA3 -0.223 3.532 3.960 -0.341 0.000 0.257 312 G C 0.537 175.604 174.900 0.279 0.000 1.010 312 G CA 0.557 45.745 45.100 0.148 0.000 0.736 312 G HN 0.776 nan 8.290 nan 0.000 0.513 313 L N 0.302 121.729 121.223 0.339 0.000 2.456 313 L HA 0.062 4.197 4.340 -0.341 0.000 0.224 313 L C 1.887 179.071 176.870 0.523 0.000 1.148 313 L CA 1.423 56.551 54.840 0.480 0.000 0.825 313 L CB -0.158 42.103 42.059 0.336 0.000 0.937 313 L HN 0.484 nan 8.230 nan 0.000 0.450 314 D N -0.921 119.644 120.400 0.274 0.000 2.525 314 D HA 0.001 4.437 4.640 -0.341 0.000 0.229 314 D C 0.313 176.559 176.300 -0.090 0.000 1.202 314 D CA -0.211 53.875 54.000 0.143 0.000 0.828 314 D CB 0.210 41.064 40.800 0.091 0.000 1.008 314 D HN 0.012 nan 8.370 nan 0.000 0.493 315 R N 1.726 122.075 120.500 -0.251 0.000 2.396 315 R HA 0.265 4.400 4.340 -0.341 0.000 0.292 315 R C -1.984 173.599 176.300 -1.195 0.000 1.240 315 R CA -1.750 54.055 56.100 -0.492 0.000 1.270 315 R CB 1.096 31.222 30.300 -0.290 0.000 1.108 315 R HN 0.098 nan 8.270 nan 0.000 0.573 316 P HA 0.017 nan 4.420 nan 0.000 0.240 316 P C 0.783 177.702 177.300 -0.635 0.000 1.190 316 P CA 0.508 62.787 63.100 -1.369 0.000 0.781 316 P CB 0.493 31.713 31.700 -0.799 0.000 0.931 317 G N 0.197 108.713 108.800 -0.474 0.000 3.440 317 G HA2 -0.011 3.744 3.960 -0.341 0.000 0.263 317 G HA3 -0.011 3.744 3.960 -0.341 0.000 0.263 317 G C 1.154 175.904 174.900 -0.251 0.000 1.236 317 G CA -0.185 44.723 45.100 -0.321 0.000 0.927 317 G HN 0.031 nan 8.290 nan 0.000 0.530 318 M N 0.314 119.797 119.600 -0.195 0.000 2.082 318 M HA -0.074 4.201 4.480 -0.341 0.000 0.258 318 M C 2.356 178.715 176.300 0.098 0.000 1.071 318 M CA 1.619 56.906 55.300 -0.022 0.000 1.103 318 M CB -0.656 32.012 32.600 0.113 0.000 1.307 318 M HN 0.316 nan 8.290 nan 0.000 0.409 319 L N -0.461 120.847 121.223 0.141 0.000 2.017 319 L HA -0.231 3.904 4.340 -0.341 0.000 0.208 319 L C 2.472 179.329 176.870 -0.021 0.000 1.073 319 L CA 1.864 56.850 54.840 0.242 0.000 0.745 319 L CB -0.833 41.504 42.059 0.465 0.000 0.894 319 L HN 0.438 nan 8.230 nan 0.000 0.432 320 E N -0.158 119.647 120.200 -0.657 0.000 2.152 320 E HA -0.266 3.879 4.350 -0.341 0.000 0.192 320 E C 2.206 178.636 176.600 -0.283 0.000 0.983 320 E CA 0.797 56.611 56.400 -0.978 0.000 0.818 320 E CB 0.084 29.024 29.700 -1.267 0.000 0.758 320 E HN 0.439 nan 8.360 nan 0.000 0.467 321 Q N -0.525 119.149 119.800 -0.210 0.000 2.050 321 Q HA -0.217 3.918 4.340 -0.341 0.000 0.202 321 Q C 1.708 177.656 176.000 -0.086 0.000 0.980 321 Q CA 1.513 57.210 55.803 -0.177 0.000 0.840 321 Q CB -0.199 28.398 28.738 -0.235 0.000 0.898 321 Q HN 0.453 nan 8.270 nan 0.000 0.424 322 Y N -0.552 119.740 120.300 -0.013 0.000 2.128 322 Y HA -0.277 4.068 4.550 -0.342 0.000 0.284 322 Y C 2.081 178.047 175.900 0.110 0.000 1.154 322 Y CA 1.411 59.548 58.100 0.062 0.000 1.149 322 Y CB -0.206 38.318 38.460 0.106 0.000 0.976 322 Y HN 0.274 nan 8.280 nan 0.000 0.505 323 F N 1.275 121.327 119.950 0.170 0.000 2.095 323 F HA -0.273 4.049 4.527 -0.341 0.000 0.298 323 F C 1.933 177.753 175.800 0.034 0.000 1.104 323 F CA 1.936 60.003 58.000 0.113 0.000 1.232 323 F CB -0.533 38.581 39.000 0.190 0.000 0.987 323 F HN 0.039 nan 8.300 nan 0.000 0.475 324 D N -0.117 120.237 120.400 -0.076 0.000 2.178 324 D HA -0.158 4.277 4.640 -0.341 0.000 0.202 324 D C 2.397 178.640 176.300 -0.095 0.000 0.974 324 D CA 1.369 55.264 54.000 -0.175 0.000 0.841 324 D CB -0.344 40.392 40.800 -0.107 0.000 0.953 324 D HN 0.351 nan 8.370 nan 0.000 0.478 325 M N 0.432 120.027 119.600 -0.008 0.000 2.086 325 M HA -0.078 4.197 4.480 -0.341 0.000 0.261 325 M C 2.283 178.741 176.300 0.264 0.000 1.067 325 M CA 1.184 56.586 55.300 0.169 0.000 1.116 325 M CB -0.309 32.382 32.600 0.152 0.000 1.348 325 M HN 0.057 nan 8.290 nan 0.000 0.407 326 I N -2.124 118.538 120.570 0.154 0.000 3.001 326 I HA -0.053 3.912 4.170 -0.341 0.000 0.268 326 I C 1.434 177.552 176.117 0.001 0.000 1.267 326 I CA 1.312 62.681 61.300 0.113 0.000 1.472 326 I CB -0.733 37.341 38.000 0.124 0.000 1.089 326 I HN 0.269 nan 8.210 nan 0.000 0.468 327 T N -1.464 113.009 114.554 -0.135 0.000 3.132 327 T HA 0.573 4.718 4.350 -0.341 0.000 0.274 327 T C 0.781 175.442 174.700 -0.064 0.000 1.011 327 T CA 0.004 61.996 62.100 -0.180 0.000 0.899 327 T CB -0.144 68.395 68.868 -0.549 0.000 1.089 327 T HN 0.333 nan 8.240 nan 0.000 0.543 328 A N 1.373 124.206 122.820 0.023 0.000 2.540 328 A HA 0.285 4.400 4.320 -0.341 0.000 0.239 328 A C 1.028 178.665 177.584 0.088 0.000 1.061 328 A CA -0.170 51.909 52.037 0.069 0.000 0.758 328 A CB 0.029 19.132 19.000 0.172 0.000 0.991 328 A HN 0.312 nan 8.150 nan 0.000 0.502 329 D N 0.124 120.565 120.400 0.068 0.000 2.355 329 D HA 0.097 4.532 4.640 -0.341 0.000 0.218 329 D C 0.681 177.037 176.300 0.094 0.000 1.004 329 D CA 1.473 55.519 54.000 0.077 0.000 0.880 329 D CB 0.140 40.976 40.800 0.060 0.000 0.911 329 D HN 0.671 nan 8.370 nan 0.000 0.528 330 S N -1.643 114.123 115.700 0.111 0.000 2.643 330 S HA 0.243 4.508 4.470 -0.341 0.000 0.270 330 S C 0.236 174.947 174.600 0.186 0.000 1.166 330 S CA -0.829 57.455 58.200 0.140 0.000 0.815 330 S CB 0.569 63.824 63.200 0.093 0.000 1.139 330 S HN -0.109 nan 8.310 nan 0.000 0.472 331 F N 1.439 121.413 119.950 0.040 0.000 2.259 331 F HA 0.119 4.441 4.527 -0.341 0.000 0.298 331 F C 1.602 177.367 175.800 -0.059 0.000 1.088 331 F CA 1.520 59.468 58.000 -0.088 0.000 1.358 331 F CB -0.425 38.498 39.000 -0.128 0.000 1.040 331 F HN 0.631 nan 8.300 nan 0.000 0.505 332 D N 0.392 120.706 120.400 -0.142 0.000 2.144 332 D HA -0.164 4.272 4.640 -0.341 0.000 0.199 332 D C 1.723 177.880 176.300 -0.238 0.000 0.984 332 D CA 1.432 55.290 54.000 -0.236 0.000 0.834 332 D CB -0.334 40.420 40.800 -0.077 0.000 0.955 332 D HN 0.320 nan 8.370 nan 0.000 0.465 333 D N -0.436 119.887 120.400 -0.127 0.000 2.144 333 D HA -0.145 4.290 4.640 -0.341 0.000 0.200 333 D C 1.886 178.099 176.300 -0.145 0.000 0.978 333 D CA 0.495 54.433 54.000 -0.104 0.000 0.833 333 D CB -0.410 40.372 40.800 -0.029 0.000 0.961 333 D HN 0.286 nan 8.370 nan 0.000 0.470 334 Y N 1.827 121.966 120.300 -0.267 0.000 2.145 334 Y HA -0.152 4.193 4.550 -0.342 0.000 0.286 334 Y C 2.012 177.676 175.900 -0.395 0.000 1.145 334 Y CA 1.657 59.584 58.100 -0.287 0.000 1.148 334 Y CB -0.153 38.115 38.460 -0.320 0.000 0.981 334 Y HN -0.059 nan 8.280 nan 0.000 0.507 335 E N -0.194 119.572 120.200 -0.723 0.000 2.150 335 E HA -0.161 3.984 4.350 -0.341 0.000 0.193 335 E C 2.258 178.563 176.600 -0.492 0.000 0.985 335 E CA 0.753 56.713 56.400 -0.733 0.000 0.814 335 E CB -0.222 29.029 29.700 -0.748 0.000 0.752 335 E HN 0.609 nan 8.360 nan 0.000 0.466 336 A N 1.112 123.706 122.820 -0.377 0.000 1.968 336 A HA -0.014 4.101 4.320 -0.341 0.000 0.217 336 A C 2.291 179.711 177.584 -0.274 0.000 1.169 336 A CA 1.374 53.252 52.037 -0.265 0.000 0.638 336 A CB -0.311 18.574 19.000 -0.192 0.000 0.812 336 A HN 0.287 nan 8.150 nan 0.000 0.446 337 A N -0.275 122.352 122.820 -0.323 0.000 1.854 337 A HA 0.026 4.142 4.320 -0.341 0.000 0.214 337 A C 2.091 179.452 177.584 -0.372 0.000 1.192 337 A CA 1.602 53.455 52.037 -0.306 0.000 0.611 337 A CB -0.715 18.115 19.000 -0.282 0.000 0.832 337 A HN 0.671 nan 8.150 nan 0.000 0.442 338 L N 0.166 121.067 121.223 -0.536 0.000 2.042 338 L HA -0.109 4.026 4.340 -0.341 0.000 0.210 338 L C 2.482 179.142 176.870 -0.350 0.000 1.076 338 L CA 2.285 56.815 54.840 -0.518 0.000 0.749 338 L CB -0.773 40.863 42.059 -0.705 0.000 0.893 338 L HN 0.340 nan 8.230 nan 0.000 0.432 339 A N -0.860 121.771 122.820 -0.316 0.000 2.259 339 A HA -0.148 3.967 4.320 -0.341 0.000 0.212 339 A C 2.237 179.710 177.584 -0.185 0.000 1.178 339 A CA 1.070 52.974 52.037 -0.221 0.000 0.734 339 A CB -0.704 18.177 19.000 -0.198 0.000 0.774 339 A HN 0.559 nan 8.150 nan 0.000 0.481 340 R N -1.558 118.818 120.500 -0.206 0.000 2.235 340 R HA 0.037 4.172 4.340 -0.341 0.000 0.213 340 R C -0.006 176.193 176.300 -0.169 0.000 1.059 340 R CA 0.506 56.499 56.100 -0.178 0.000 0.997 340 R CB -0.168 30.016 30.300 -0.194 0.000 0.884 340 R HN 0.390 nan 8.270 nan 0.000 0.462 341 M N 0.765 120.256 119.600 -0.180 0.000 2.297 341 M HA -0.217 4.058 4.480 -0.341 0.000 0.200 341 M C -0.055 176.147 176.300 -0.164 0.000 0.414 341 M CA 0.837 56.041 55.300 -0.159 0.000 0.449 341 M CB -1.723 30.807 32.600 -0.116 0.000 1.436 341 M HN 0.194 nan 8.290 nan 0.000 0.912 342 Q N -0.866 118.817 119.800 -0.195 0.000 2.378 342 Q HA 0.294 4.429 4.340 -0.341 0.000 0.216 342 Q C 0.692 176.600 176.000 -0.154 0.000 0.892 342 Q CA 0.465 56.147 55.803 -0.202 0.000 0.931 342 Q CB 0.894 29.491 28.738 -0.235 0.000 1.086 342 Q HN 0.540 nan 8.270 nan 0.000 0.528 343 V N 3.855 123.669 119.914 -0.167 0.000 2.353 343 V HA 0.095 4.010 4.120 -0.341 0.000 0.264 343 V C -1.611 174.411 176.094 -0.121 0.000 1.049 343 V CA -1.011 61.223 62.300 -0.111 0.000 0.896 343 V CB 1.091 32.785 31.823 -0.215 0.000 1.025 343 V HN 0.027 nan 8.190 nan 0.000 0.475 344 P HA -0.101 nan 4.420 nan 0.000 0.218 344 P C 0.701 177.847 177.300 -0.256 0.000 1.146 344 P CA 1.350 64.368 63.100 -0.136 0.000 0.813 344 P CB 0.313 31.969 31.700 -0.074 0.000 0.778 345 T N -4.235 110.081 114.554 -0.397 0.000 2.637 345 T HA 0.555 4.700 4.350 -0.341 0.000 0.303 345 T C -1.672 172.722 174.700 -0.510 0.000 1.288 345 T CA -0.742 61.024 62.100 -0.556 0.000 1.040 345 T CB -0.081 68.340 68.868 -0.744 0.000 1.644 345 T HN -0.135 nan 8.240 nan 0.000 0.480 346 F N 0.033 119.816 119.950 -0.278 0.000 2.182 346 F HA -0.077 4.244 4.527 -0.342 0.000 0.325 346 F C 0.049 175.686 175.800 -0.273 0.000 1.295 346 F CA -0.810 57.049 58.000 -0.235 0.000 0.940 346 F CB -0.289 38.615 39.000 -0.160 0.000 4.103 346 F HN 0.561 nan 8.300 nan 0.000 0.179 347 N N 2.924 121.648 118.700 0.041 0.000 2.518 347 N HA 0.665 5.201 4.740 -0.341 0.000 0.283 347 N C -0.670 174.847 175.510 0.013 0.000 1.119 347 N CA -0.194 52.836 53.050 -0.034 0.000 0.983 347 N CB 1.396 39.995 38.487 0.187 0.000 1.139 347 N HN 0.429 nan 8.380 nan 0.000 0.465 348 I N 1.864 122.397 120.570 -0.062 0.000 2.439 348 I HA 0.247 4.212 4.170 -0.341 0.000 0.285 348 I C -0.429 175.759 176.117 0.118 0.000 1.021 348 I CA -0.833 60.494 61.300 0.046 0.000 1.091 348 I CB 1.932 39.968 38.000 0.060 0.000 1.242 348 I HN -0.041 nan 8.210 nan 0.000 0.439 349 V N 6.704 126.736 119.914 0.197 0.000 2.532 349 V HA 0.377 4.292 4.120 -0.341 0.000 0.295 349 V C -0.952 175.287 176.094 0.241 0.000 1.041 349 V CA -0.559 61.901 62.300 0.266 0.000 0.926 349 V CB 1.944 33.951 31.823 0.308 0.000 0.992 349 V HN 0.550 nan 8.190 nan 0.000 0.457 350 Y N 3.311 123.648 120.300 0.061 0.000 2.499 350 Y HA 0.816 5.161 4.550 -0.342 0.000 0.347 350 Y C -0.284 175.544 175.900 -0.119 0.000 0.987 350 Y CA -0.520 57.516 58.100 -0.107 0.000 1.044 350 Y CB 1.965 40.270 38.460 -0.258 0.000 1.245 350 Y HN 0.762 nan 8.280 nan 0.000 0.461 351 A N 4.243 126.500 122.820 -0.939 0.000 2.540 351 A HA 0.588 4.703 4.320 -0.341 0.000 0.297 351 A C -2.052 174.683 177.584 -1.415 0.000 1.056 351 A CA -0.481 51.083 52.037 -0.789 0.000 0.700 351 A CB 1.229 20.045 19.000 -0.306 0.000 1.280 351 A HN 0.806 nan 8.150 nan 0.000 0.398 352 D N -0.093 119.692 120.400 -1.025 0.000 2.592 352 D HA 0.401 4.836 4.640 -0.341 0.000 0.263 352 D C 0.875 176.865 176.300 -0.517 0.000 1.132 352 D CA -0.570 52.853 54.000 -0.961 0.000 0.996 352 D CB 0.668 41.208 40.800 -0.434 0.000 1.442 352 D HN 0.490 nan 8.370 nan 0.000 0.486 353 R N -0.257 120.085 120.500 -0.263 0.000 2.189 353 R HA -0.032 4.103 4.340 -0.341 0.000 0.223 353 R C 0.499 176.784 176.300 -0.024 0.000 1.092 353 R CA 1.039 57.130 56.100 -0.016 0.000 0.989 353 R CB -0.422 29.924 30.300 0.077 0.000 0.876 353 R HN 0.348 nan 8.270 nan 0.000 0.457 354 E N 0.418 120.592 120.200 -0.044 0.000 2.418 354 E HA 0.038 4.183 4.350 -0.341 0.000 0.197 354 E C 0.994 177.574 176.600 -0.034 0.000 1.026 354 E CA 1.084 57.476 56.400 -0.014 0.000 0.862 354 E CB 0.257 29.967 29.700 0.016 0.000 0.799 354 E HN 0.678 nan 8.360 nan 0.000 0.518 355 G N 0.004 108.762 108.800 -0.071 0.000 2.159 355 G HA2 -0.233 3.522 3.960 -0.341 0.000 0.227 355 G HA3 -0.233 3.522 3.960 -0.341 0.000 0.227 355 G C 0.334 175.176 174.900 -0.097 0.000 0.986 355 G CA 0.166 45.222 45.100 -0.073 0.000 0.651 355 G HN 0.232 nan 8.290 nan 0.000 0.523 356 T N 1.568 116.052 114.554 -0.118 0.000 2.856 356 T HA 0.613 4.758 4.350 -0.341 0.000 0.292 356 T C 0.546 175.164 174.700 -0.137 0.000 0.980 356 T CA 0.452 62.441 62.100 -0.185 0.000 1.091 356 T CB 1.427 70.089 68.868 -0.344 0.000 0.936 356 T HN 0.998 nan 8.240 nan 0.000 0.503 357 I N 1.071 121.561 120.570 -0.134 0.000 2.608 357 I HA 0.736 4.701 4.170 -0.341 0.000 0.295 357 I C -0.885 175.231 176.117 -0.002 0.000 1.049 357 I CA -0.852 60.441 61.300 -0.012 0.000 1.063 357 I CB 2.276 40.285 38.000 0.014 0.000 1.248 357 I HN 0.470 nan 8.210 nan 0.000 0.424 358 N N 3.989 122.783 118.700 0.158 0.000 2.331 358 N HA 0.362 4.897 4.740 -0.341 0.000 0.280 358 N C -2.339 173.361 175.510 0.316 0.000 1.155 358 N CA -0.330 52.844 53.050 0.207 0.000 0.822 358 N CB 3.043 41.681 38.487 0.251 0.000 1.619 358 N HN 0.805 nan 8.380 nan 0.000 0.476 359 Y N 1.247 121.666 120.300 0.198 0.000 2.409 359 Y HA 0.620 4.967 4.550 -0.339 0.000 0.343 359 Y C -1.395 174.626 175.900 0.202 0.000 0.973 359 Y CA -0.285 57.935 58.100 0.199 0.000 1.064 359 Y CB 1.725 40.288 38.460 0.171 0.000 1.207 359 Y HN 0.403 nan 8.280 nan 0.000 0.452 360 S N 6.259 121.441 115.700 -0.864 0.000 2.619 360 S HA 0.281 4.546 4.470 -0.341 0.000 0.280 360 S C -1.577 172.596 174.600 -0.712 0.000 1.150 360 S CA -0.618 57.214 58.200 -0.614 0.000 0.978 360 S CB 0.705 63.783 63.200 -0.202 0.000 1.041 360 S HN 0.629 nan 8.310 nan 0.000 0.485 361 F N 4.487 124.069 119.950 -0.612 0.000 2.619 361 F HA 0.361 4.683 4.527 -0.342 0.000 0.350 361 F C 0.375 176.026 175.800 -0.248 0.000 1.259 361 F CA -0.502 57.290 58.000 -0.347 0.000 1.204 361 F CB -0.431 38.407 39.000 -0.270 0.000 1.556 361 F HN 0.578 nan 8.300 nan 0.000 0.650 362 N N 2.911 121.389 118.700 -0.370 0.000 2.463 362 N HA 0.747 5.283 4.740 -0.341 0.000 0.270 362 N C -0.139 175.162 175.510 -0.348 0.000 1.205 362 N CA 0.610 53.489 53.050 -0.284 0.000 0.974 362 N CB 1.299 39.656 38.487 -0.217 0.000 1.197 362 N HN 0.790 nan 8.380 nan 0.000 0.504 363 G N -0.807 107.850 108.800 -0.239 0.000 2.359 363 G HA2 0.083 3.839 3.960 -0.341 0.000 0.314 363 G HA3 0.083 3.839 3.960 -0.341 0.000 0.314 363 G C -1.820 172.995 174.900 -0.142 0.000 1.364 363 G CA -0.683 44.280 45.100 -0.227 0.000 0.978 363 G HN 0.503 nan 8.290 nan 0.000 0.615 364 V N 1.196 121.033 119.914 -0.129 0.000 2.270 364 V HA 0.635 4.551 4.120 -0.341 0.000 0.263 364 V C 0.831 176.858 176.094 -0.113 0.000 1.066 364 V CA 0.138 62.381 62.300 -0.095 0.000 0.857 364 V CB 0.497 32.274 31.823 -0.077 0.000 1.099 364 V HN 1.586 nan 8.190 nan 0.000 0.476 365 A N 7.500 130.285 122.820 -0.059 0.000 2.276 365 A HA 0.829 4.944 4.320 -0.341 0.000 0.316 365 A C -2.644 174.848 177.584 -0.154 0.000 1.229 365 A CA -1.789 50.212 52.037 -0.059 0.000 0.851 365 A CB 0.775 19.859 19.000 0.139 0.000 1.165 365 A HN 0.554 nan 8.150 nan 0.000 0.513 366 P HA 0.138 nan 4.420 nan 0.000 0.271 366 P C -0.598 176.369 177.300 -0.554 0.000 1.218 366 P CA 0.019 62.659 63.100 -0.767 0.000 0.780 366 P CB 0.528 31.116 31.700 -1.854 0.000 0.901 367 K N 3.410 123.532 120.400 -0.464 0.000 2.227 367 K HA 0.387 4.502 4.320 -0.341 0.000 0.280 367 K C -0.004 176.417 176.600 -0.298 0.000 1.041 367 K CA -0.285 55.772 56.287 -0.383 0.000 0.905 367 K CB 0.858 33.134 32.500 -0.373 0.000 1.068 367 K HN 0.339 nan 8.250 nan 0.000 0.470 368 R N 0.712 120.987 120.500 -0.375 0.000 2.803 368 R HA 0.335 4.470 4.340 -0.341 0.000 0.276 368 R C 0.351 176.729 176.300 0.130 0.000 0.978 368 R CA -0.330 55.603 56.100 -0.279 0.000 0.939 368 R CB 1.528 31.314 30.300 -0.855 0.000 1.179 368 R HN 0.710 nan 8.270 nan 0.000 0.472 369 A N 1.412 124.367 122.820 0.224 0.000 1.943 369 A HA 0.036 4.151 4.320 -0.341 0.000 0.213 369 A C 0.199 177.955 177.584 0.287 0.000 1.181 369 A CA 0.936 53.112 52.037 0.233 0.000 0.653 369 A CB -0.222 18.882 19.000 0.172 0.000 0.833 369 A HN 0.751 nan 8.150 nan 0.000 0.451 370 E N -2.852 117.578 120.200 0.385 0.000 2.445 370 E HA 0.540 4.685 4.350 -0.341 0.000 0.273 370 E C -0.004 176.933 176.600 0.561 0.000 0.961 370 E CA -0.911 55.705 56.400 0.360 0.000 0.807 370 E CB 1.070 30.895 29.700 0.208 0.000 1.362 370 E HN 1.190 nan 8.360 nan 0.000 0.453 371 G N 1.397 110.377 108.800 0.300 0.000 2.767 371 G HA2 -0.048 3.707 3.960 -0.341 0.000 0.686 371 G HA3 -0.048 3.707 3.960 -0.341 0.000 0.686 371 G C -0.813 174.489 174.900 0.671 0.000 1.213 371 G CA -0.122 45.151 45.100 0.289 0.000 0.803 371 G HN 0.925 nan 8.290 nan 0.000 0.603 372 D N 0.535 121.245 120.400 0.516 0.000 2.478 372 D HA 0.512 4.947 4.640 -0.341 0.000 0.263 372 D C 1.855 178.536 176.300 0.636 0.000 1.153 372 D CA -0.595 53.712 54.000 0.511 0.000 1.038 372 D CB 0.647 41.630 40.800 0.305 0.000 1.120 372 D HN 0.583 nan 8.370 nan 0.000 0.564 373 I N -0.152 120.709 120.570 0.484 0.000 2.208 373 I HA -0.288 3.677 4.170 -0.341 0.000 0.245 373 I C 2.107 178.429 176.117 0.342 0.000 1.097 373 I CA 1.808 63.369 61.300 0.435 0.000 1.363 373 I CB -0.240 37.949 38.000 0.314 0.000 1.051 373 I HN 0.530 nan 8.210 nan 0.000 0.413 374 A N 0.502 123.484 122.820 0.271 0.000 1.908 374 A HA -0.306 3.809 4.320 -0.341 0.000 0.218 374 A C 2.189 179.861 177.584 0.148 0.000 1.181 374 A CA 1.936 54.083 52.037 0.183 0.000 0.627 374 A CB -1.193 17.902 19.000 0.158 0.000 0.818 374 A HN 0.625 nan 8.150 nan 0.000 0.445 375 F N -0.976 118.999 119.950 0.041 0.000 2.134 375 F HA -0.144 4.178 4.527 -0.342 0.000 0.299 375 F C 1.742 177.393 175.800 -0.249 0.000 1.097 375 F CA 1.441 59.352 58.000 -0.149 0.000 1.264 375 F CB -0.451 38.405 39.000 -0.241 0.000 1.001 375 F HN 0.362 nan 8.300 nan 0.000 0.479 376 W N 0.607 121.836 121.300 -0.119 0.000 2.905 376 W HA 0.074 4.528 4.660 -0.342 0.000 0.251 376 W C 2.185 178.598 176.519 -0.175 0.000 1.305 376 W CA 0.438 57.644 57.345 -0.232 0.000 1.465 376 W CB -0.297 29.162 29.460 -0.002 0.000 1.122 376 W HN 0.086 nan 8.180 nan 0.000 0.659 377 Q N -0.453 119.389 119.800 0.070 0.000 2.354 377 Q HA 0.119 4.254 4.340 -0.341 0.000 0.203 377 Q C 1.521 177.490 176.000 -0.051 0.000 0.933 377 Q CA 0.568 56.396 55.803 0.042 0.000 0.901 377 Q CB 0.058 28.842 28.738 0.077 0.000 1.007 377 Q HN 0.174 nan 8.270 nan 0.000 0.495 378 G N 0.134 108.850 108.800 -0.141 0.000 2.532 378 G HA2 0.440 4.195 3.960 -0.341 0.000 0.291 378 G HA3 0.440 4.195 3.960 -0.341 0.000 0.291 378 G C -0.656 174.083 174.900 -0.267 0.000 1.349 378 G CA -0.759 44.242 45.100 -0.166 0.000 1.038 378 G HN 0.074 nan 8.290 nan 0.000 0.518 379 L N 0.700 121.788 121.223 -0.224 0.000 2.433 379 L HA 0.166 4.301 4.340 -0.341 0.000 0.275 379 L C -0.068 176.561 176.870 -0.402 0.000 1.128 379 L CA -0.346 54.348 54.840 -0.242 0.000 0.875 379 L CB 0.775 42.758 42.059 -0.127 0.000 1.171 379 L HN -0.013 nan 8.230 nan 0.000 0.463 380 V N 6.076 125.655 119.914 -0.558 0.000 2.509 380 V HA 0.229 4.144 4.120 -0.341 0.000 0.284 380 V C -1.957 173.955 176.094 -0.303 0.000 1.047 380 V CA -1.856 59.986 62.300 -0.763 0.000 0.952 380 V CB 1.320 32.503 31.823 -1.066 0.000 0.988 380 V HN 0.612 nan 8.190 nan 0.000 0.469 381 P HA 0.042 nan 4.420 nan 0.000 0.261 381 P C 0.679 178.178 177.300 0.331 0.000 1.183 381 P CA 0.488 63.624 63.100 0.061 0.000 0.761 381 P CB 0.450 32.203 31.700 0.088 0.000 0.785 382 G N 2.213 111.181 108.800 0.280 0.000 3.609 382 G HA2 0.027 3.783 3.960 -0.341 0.000 0.280 382 G HA3 0.027 3.783 3.960 -0.341 0.000 0.280 382 G C 0.120 175.292 174.900 0.453 0.000 1.155 382 G CA -0.202 45.041 45.100 0.238 0.000 0.876 382 G HN 0.514 nan 8.290 nan 0.000 0.535 383 D N -0.966 119.677 120.400 0.405 0.000 2.538 383 D HA 0.200 4.636 4.640 -0.341 0.000 0.231 383 D C 0.044 176.390 176.300 0.076 0.000 1.229 383 D CA -0.511 53.685 54.000 0.328 0.000 0.828 383 D CB 0.480 41.407 40.800 0.211 0.000 1.035 383 D HN -0.024 nan 8.370 nan 0.000 0.495 384 S N -0.322 115.403 115.700 0.042 0.000 2.592 384 S HA 0.275 4.541 4.470 -0.341 0.000 0.275 384 S C 0.715 175.163 174.600 -0.255 0.000 1.169 384 S CA -0.169 57.892 58.200 -0.231 0.000 0.958 384 S CB 1.221 64.424 63.200 0.004 0.000 1.095 384 S HN 0.101 nan 8.310 nan 0.000 0.471 385 S N 4.234 119.600 115.700 -0.556 0.000 2.500 385 S HA -0.071 4.194 4.470 -0.341 0.000 0.239 385 S C 1.625 176.188 174.600 -0.061 0.000 0.989 385 S CA 0.476 58.569 58.200 -0.177 0.000 0.951 385 S CB -0.300 62.818 63.200 -0.136 0.000 0.759 385 S HN 0.744 nan 8.310 nan 0.000 0.523 386 R N -0.058 120.328 120.500 -0.190 0.000 2.120 386 R HA -0.026 4.109 4.340 -0.341 0.000 0.234 386 R C 1.013 177.194 176.300 -0.199 0.000 1.123 386 R CA 1.650 57.575 56.100 -0.293 0.000 0.975 386 R CB -0.265 29.683 30.300 -0.587 0.000 0.866 386 R HN 0.648 nan 8.270 nan 0.000 0.446 387 Y N -0.859 119.651 120.300 0.349 0.000 2.457 387 Y HA 0.118 4.463 4.550 -0.341 0.000 0.263 387 Y C 0.121 176.421 175.900 0.665 0.000 1.164 387 Y CA -0.702 57.767 58.100 0.613 0.000 1.274 387 Y CB 0.515 39.334 38.460 0.597 0.000 1.097 387 Y HN -0.043 nan 8.280 nan 0.000 0.523 388 L N 3.572 125.046 121.223 0.418 0.000 2.334 388 L HA 0.154 4.289 4.340 -0.341 0.000 0.286 388 L C 0.098 177.047 176.870 0.131 0.000 1.108 388 L CA -0.963 53.961 54.840 0.140 0.000 0.875 388 L CB -0.351 41.702 42.059 -0.010 0.000 1.246 388 L HN 0.144 nan 8.230 nan 0.000 0.439 389 W N 3.318 124.769 121.300 0.252 0.000 2.215 389 W HA 0.495 4.950 4.660 -0.341 0.000 0.342 389 W C 0.142 176.697 176.519 0.061 0.000 1.237 389 W CA -0.168 57.235 57.345 0.096 0.000 1.283 389 W CB 0.157 29.602 29.460 -0.024 0.000 1.131 389 W HN 0.622 nan 8.180 nan 0.000 0.606 390 T N -2.958 111.815 114.554 0.365 0.000 3.131 390 T HA 0.205 4.350 4.350 -0.341 0.000 0.283 390 T C -0.174 174.662 174.700 0.226 0.000 0.906 390 T CA -0.217 62.028 62.100 0.241 0.000 0.882 390 T CB 0.272 69.199 68.868 0.098 0.000 1.208 390 T HN 0.486 nan 8.240 nan 0.000 0.561 391 E N 1.865 122.177 120.200 0.187 0.000 2.277 391 E HA 0.607 4.753 4.350 -0.341 0.000 0.266 391 E C -0.772 175.793 176.600 -0.059 0.000 0.901 391 E CA -0.937 55.493 56.400 0.049 0.000 0.782 391 E CB 2.195 31.890 29.700 -0.008 0.000 1.228 391 E HN 0.428 nan 8.360 nan 0.000 0.424 392 T N -1.867 112.625 114.554 -0.103 0.000 2.930 392 T HA 0.354 4.499 4.350 -0.341 0.000 0.290 392 T C -0.314 174.276 174.700 -0.183 0.000 1.052 392 T CA -0.945 61.051 62.100 -0.173 0.000 1.017 392 T CB 1.108 69.919 68.868 -0.095 0.000 1.137 392 T HN 0.323 nan 8.240 nan 0.000 0.511 393 H N 2.171 121.225 119.070 -0.027 0.000 2.610 393 H HA 0.372 4.724 4.556 -0.341 0.000 0.336 393 H C -2.017 173.303 175.328 -0.014 0.000 1.087 393 H CA -1.144 54.907 56.048 0.005 0.000 1.405 393 H CB 1.182 30.969 29.762 0.041 0.000 1.460 393 H HN 0.521 nan 8.280 nan 0.000 0.538 394 P HA -0.027 nan 4.420 nan 0.000 0.278 394 P C 1.082 178.405 177.300 0.038 0.000 1.258 394 P CA -0.618 62.505 63.100 0.038 0.000 0.811 394 P CB 1.509 33.222 31.700 0.021 0.000 1.063 395 L N 1.838 123.051 121.223 -0.017 0.000 2.089 395 L HA -0.250 3.885 4.340 -0.341 0.000 0.213 395 L C 1.426 178.303 176.870 0.010 0.000 1.079 395 L CA 2.226 57.048 54.840 -0.031 0.000 0.758 395 L CB -1.564 40.443 42.059 -0.086 0.000 0.891 395 L HN 0.277 nan 8.230 nan 0.000 0.433 396 D N -0.559 119.852 120.400 0.018 0.000 2.158 396 D HA -0.199 4.236 4.640 -0.341 0.000 0.197 396 D C 1.529 177.873 176.300 0.074 0.000 0.995 396 D CA 1.579 55.602 54.000 0.039 0.000 0.846 396 D CB -0.249 40.566 40.800 0.026 0.000 0.941 396 D HN 0.445 nan 8.370 nan 0.000 0.456 397 D N -0.247 120.208 120.400 0.090 0.000 2.347 397 D HA 0.050 4.485 4.640 -0.341 0.000 0.215 397 D C 0.411 176.805 176.300 0.157 0.000 0.976 397 D CA 0.230 54.287 54.000 0.096 0.000 0.884 397 D CB 0.135 41.004 40.800 0.115 0.000 0.915 397 D HN 0.257 nan 8.370 nan 0.000 0.526 398 L N 0.907 122.202 121.223 0.120 0.000 2.379 398 L HA 0.344 4.479 4.340 -0.341 0.000 0.269 398 L C -2.200 174.646 176.870 -0.040 0.000 1.084 398 L CA -2.145 52.713 54.840 0.029 0.000 0.802 398 L CB 0.657 42.735 42.059 0.031 0.000 1.175 398 L HN -0.379 nan 8.230 nan 0.000 0.448 399 P HA 0.150 nan 4.420 nan 0.000 0.266 399 P C -1.070 176.207 177.300 -0.039 0.000 1.215 399 P CA 0.314 62.950 63.100 -0.773 0.000 0.763 399 P CB 0.428 31.408 31.700 -1.200 0.000 0.806 400 R N 1.702 122.333 120.500 0.218 0.000 2.740 400 R HA 0.765 4.901 4.340 -0.341 0.000 0.273 400 R C -1.471 175.113 176.300 0.474 0.000 0.998 400 R CA -1.106 55.172 56.100 0.297 0.000 0.900 400 R CB 2.162 32.569 30.300 0.177 0.000 1.223 400 R HN 0.107 nan 8.270 nan 0.000 0.466 401 V N 1.051 121.218 119.914 0.422 0.000 2.668 401 V HA 0.436 4.351 4.120 -0.341 0.000 0.304 401 V C -0.825 175.398 176.094 0.215 0.000 1.071 401 V CA -0.677 61.812 62.300 0.314 0.000 0.894 401 V CB 2.324 34.309 31.823 0.270 0.000 1.008 401 V HN 0.818 nan 8.190 nan 0.000 0.425 402 T N 3.611 118.245 114.554 0.134 0.000 2.861 402 T HA 0.394 4.539 4.350 -0.341 0.000 0.287 402 T C 0.088 174.784 174.700 -0.006 0.000 1.003 402 T CA -0.604 61.526 62.100 0.050 0.000 0.977 402 T CB 1.104 70.013 68.868 0.069 0.000 0.996 402 T HN 0.707 nan 8.240 nan 0.000 0.448 403 N N 2.517 121.183 118.700 -0.057 0.000 2.718 403 N HA -0.118 4.417 4.740 -0.341 0.000 0.268 403 N C -2.204 173.280 175.510 -0.043 0.000 0.965 403 N CA 0.392 53.407 53.050 -0.058 0.000 0.817 403 N CB -0.887 37.557 38.487 -0.072 0.000 0.914 403 N HN 0.511 nan 8.380 nan 0.000 0.558 404 P HA 0.120 nan 4.420 nan 0.000 0.272 404 P C -1.620 175.633 177.300 -0.078 0.000 1.230 404 P CA -1.050 62.003 63.100 -0.078 0.000 0.788 404 P CB 0.585 32.204 31.700 -0.135 0.000 0.949 405 P HA -0.155 nan 4.420 nan 0.000 0.216 405 P C 1.671 178.945 177.300 -0.044 0.000 1.150 405 P CA 2.046 65.110 63.100 -0.061 0.000 0.843 405 P CB -0.524 31.131 31.700 -0.076 0.000 0.787 406 G N -1.258 107.499 108.800 -0.071 0.000 2.498 406 G HA2 -0.001 3.754 3.960 -0.341 0.000 0.219 406 G HA3 -0.001 3.754 3.960 -0.341 0.000 0.219 406 G C 1.187 176.156 174.900 0.115 0.000 1.119 406 G CA 0.703 45.810 45.100 0.012 0.000 0.766 406 G HN 0.487 nan 8.290 nan 0.000 0.552 407 G N -1.288 107.527 108.800 0.025 0.000 2.147 407 G HA2 -0.039 3.716 3.960 -0.341 0.000 0.244 407 G HA3 -0.039 3.716 3.960 -0.341 0.000 0.244 407 G C 0.140 175.150 174.900 0.183 0.000 1.005 407 G CA 0.579 45.725 45.100 0.078 0.000 0.713 407 G HN 1.706 nan 8.290 nan 0.000 0.515 408 F N -2.427 117.527 119.950 0.005 0.000 2.769 408 F HA 0.694 5.016 4.527 -0.342 0.000 0.313 408 F C -0.775 175.066 175.800 0.068 0.000 1.146 408 F CA -1.058 56.955 58.000 0.021 0.000 0.934 408 F CB 0.897 39.884 39.000 -0.022 0.000 1.283 408 F HN 0.860 nan 8.300 nan 0.000 0.443 409 V N 0.757 120.748 119.914 0.129 0.000 3.007 409 V HA 0.987 4.902 4.120 -0.341 0.000 0.311 409 V C -1.412 174.931 176.094 0.416 0.000 1.120 409 V CA -0.549 61.789 62.300 0.064 0.000 0.980 409 V CB 1.449 33.364 31.823 0.153 0.000 1.033 409 V HN 1.531 nan 8.190 nan 0.000 0.429 410 Q N 1.538 121.527 119.800 0.316 0.000 2.575 410 Q HA 0.633 4.768 4.340 -0.341 0.000 0.290 410 Q C -1.610 174.514 176.000 0.205 0.000 0.963 410 Q CA -0.574 55.497 55.803 0.447 0.000 0.783 410 Q CB 1.717 30.883 28.738 0.714 0.000 1.467 410 Q HN 0.975 nan 8.270 nan 0.000 0.402 411 N N 0.221 119.064 118.700 0.239 0.000 2.600 411 N HA 0.260 4.795 4.740 -0.341 0.000 0.272 411 N C -1.506 174.072 175.510 0.114 0.000 1.095 411 N CA -0.175 52.961 53.050 0.143 0.000 0.993 411 N CB 1.954 40.561 38.487 0.199 0.000 1.603 411 N HN 0.594 nan 8.380 nan 0.000 0.526 412 S N 2.501 118.251 115.700 0.084 0.000 2.525 412 S HA 0.247 4.512 4.470 -0.341 0.000 0.242 412 S C 0.294 174.914 174.600 0.033 0.000 1.164 412 S CA -0.393 57.828 58.200 0.036 0.000 1.154 412 S CB -0.584 62.668 63.200 0.087 0.000 0.875 412 S HN 0.805 nan 8.310 nan 0.000 0.482 413 N N 1.458 120.183 118.700 0.042 0.000 2.948 413 N HA -0.146 4.389 4.740 -0.341 0.000 0.239 413 N C -0.711 174.796 175.510 -0.005 0.000 0.954 413 N CA 1.140 54.219 53.050 0.048 0.000 0.941 413 N CB -1.047 37.482 38.487 0.069 0.000 1.101 413 N HN 0.610 nan 8.380 nan 0.000 0.579 414 D N 0.231 120.580 120.400 -0.084 0.000 2.313 414 D HA 0.327 4.762 4.640 -0.341 0.000 0.247 414 D C -2.480 173.638 176.300 -0.304 0.000 1.094 414 D CA -1.467 52.366 54.000 -0.278 0.000 0.925 414 D CB 0.262 40.753 40.800 -0.515 0.000 1.188 414 D HN -0.099 nan 8.370 nan 0.000 0.430 415 P HA 0.042 nan 4.420 nan 0.000 0.266 415 P C -1.784 175.157 177.300 -0.599 0.000 1.193 415 P CA -0.676 62.185 63.100 -0.399 0.000 0.770 415 P CB -0.095 31.491 31.700 -0.190 0.000 0.836 416 P HA -0.088 nan 4.420 nan 0.000 0.288 416 P C 0.047 177.119 177.300 -0.381 0.000 1.448 416 P CA 0.779 63.523 63.100 -0.595 0.000 0.764 416 P CB -0.551 30.775 31.700 -0.624 0.000 1.472 417 W N 0.417 121.865 121.300 0.247 0.000 3.139 417 W HA 0.067 4.520 4.660 -0.345 0.000 0.260 417 W C 0.788 177.483 176.519 0.294 0.000 1.312 417 W CA 0.298 57.849 57.345 0.344 0.000 1.606 417 W CB 0.017 29.724 29.460 0.410 0.000 1.118 417 W HN 0.085 nan 8.180 nan 0.000 0.675 418 T N -3.733 111.065 114.554 0.407 0.000 3.866 418 T HA 0.153 4.299 4.350 -0.341 0.000 0.241 418 T C -1.609 173.172 174.700 0.134 0.000 1.017 418 T CA -1.223 61.086 62.100 0.347 0.000 1.300 418 T CB 0.522 69.687 68.868 0.494 0.000 0.968 418 T HN -0.214 nan 8.240 nan 0.000 0.595 419 P HA 0.096 nan 4.420 nan 0.000 0.230 419 P C 0.513 177.688 177.300 -0.209 0.000 1.158 419 P CA 0.865 63.778 63.100 -0.312 0.000 0.769 419 P CB 0.342 31.631 31.700 -0.685 0.000 0.807 420 T N -2.217 112.232 114.554 -0.176 0.000 2.739 420 T HA 0.439 4.584 4.350 -0.341 0.000 0.303 420 T C -2.694 172.000 174.700 -0.010 0.000 1.389 420 T CA -0.718 61.102 62.100 -0.466 0.000 1.001 420 T CB 1.212 69.757 68.868 -0.538 0.000 1.436 420 T HN -0.013 nan 8.240 nan 0.000 0.500 421 W N 4.420 125.527 121.300 -0.321 0.000 2.884 421 W HA 0.434 4.894 4.660 -0.333 0.000 0.336 421 W C -2.751 173.765 176.519 -0.006 0.000 1.038 421 W CA -1.954 55.391 57.345 -0.001 0.000 1.247 421 W CB 1.923 31.527 29.460 0.239 0.000 1.351 421 W HN 0.597 nan 8.180 nan 0.000 0.446 422 P HA 0.077 nan 4.420 nan 0.000 0.274 422 P C 0.142 177.216 177.300 -0.376 0.000 1.237 422 P CA 0.083 62.751 63.100 -0.720 0.000 0.793 422 P CB 1.476 32.816 31.700 -0.599 0.000 0.977 423 V N -0.513 119.189 119.914 -0.354 0.000 3.287 423 V HA 0.201 4.116 4.120 -0.341 0.000 0.306 423 V C 1.197 177.142 176.094 -0.249 0.000 1.103 423 V CA 0.886 63.047 62.300 -0.231 0.000 1.159 423 V CB -0.379 31.368 31.823 -0.126 0.000 1.036 423 V HN 0.801 nan 8.190 nan 0.000 0.487 424 T N -1.079 113.280 114.554 -0.324 0.000 3.084 424 T HA 0.442 4.587 4.350 -0.341 0.000 0.270 424 T C -0.118 174.569 174.700 -0.021 0.000 1.008 424 T CA 0.452 62.450 62.100 -0.170 0.000 0.900 424 T CB -0.510 68.298 68.868 -0.100 0.000 1.084 424 T HN 1.485 nan 8.240 nan 0.000 0.538 425 Y N -1.047 119.337 120.300 0.140 0.000 2.774 425 Y HA 0.669 5.015 4.550 -0.341 0.000 0.346 425 Y C -0.892 175.133 175.900 0.208 0.000 1.222 425 Y CA -1.578 56.632 58.100 0.184 0.000 1.088 425 Y CB 0.517 39.179 38.460 0.337 0.000 1.354 425 Y HN 0.163 nan 8.280 nan 0.000 0.455 426 T N -2.709 112.112 114.554 0.445 0.000 2.916 426 T HA 0.540 4.686 4.350 -0.341 0.000 0.292 426 T C -2.632 172.076 174.700 0.012 0.000 1.064 426 T CA -2.482 59.742 62.100 0.206 0.000 1.011 426 T CB 2.427 71.308 68.868 0.021 0.000 1.152 426 T HN 0.362 nan 8.240 nan 0.000 0.510 427 P HA -0.193 nan 4.420 nan 0.000 0.216 427 P C 1.306 178.403 177.300 -0.338 0.000 1.154 427 P CA 1.519 63.975 63.100 -1.074 0.000 0.865 427 P CB -0.090 30.891 31.700 -1.197 0.000 0.789 428 K N -0.970 119.296 120.400 -0.223 0.000 2.589 428 K HA -0.137 3.978 4.320 -0.341 0.000 0.195 428 K C 0.715 177.233 176.600 -0.137 0.000 1.040 428 K CA 1.348 57.554 56.287 -0.135 0.000 0.950 428 K CB -0.623 31.814 32.500 -0.104 0.000 0.781 428 K HN 0.159 nan 8.250 nan 0.000 0.486 429 D N -0.149 120.158 120.400 -0.155 0.000 2.349 429 D HA 0.103 4.538 4.640 -0.341 0.000 0.215 429 D C -0.385 175.445 176.300 -0.784 0.000 1.016 429 D CA 0.505 54.260 54.000 -0.408 0.000 0.870 429 D CB 0.154 40.690 40.800 -0.440 0.000 0.917 429 D HN 0.119 nan 8.370 nan 0.000 0.524 430 F N -0.256 119.616 119.950 -0.130 0.000 2.603 430 F HA 0.378 4.700 4.527 -0.342 0.000 0.317 430 F C -2.134 173.537 175.800 -0.215 0.000 1.066 430 F CA -2.625 55.274 58.000 -0.169 0.000 0.941 430 F CB 0.816 39.734 39.000 -0.137 0.000 1.291 430 F HN -0.405 nan 8.300 nan 0.000 0.472 431 P HA 0.031 nan 4.420 nan 0.000 0.266 431 P C 0.571 177.663 177.300 -0.347 0.000 1.195 431 P CA 0.240 63.106 63.100 -0.390 0.000 0.768 431 P CB 0.676 31.825 31.700 -0.918 0.000 0.838 432 S N 1.843 117.457 115.700 -0.145 0.000 2.469 432 S HA -0.226 4.039 4.470 -0.341 0.000 0.238 432 S C 1.485 176.152 174.600 0.113 0.000 0.998 432 S CA 1.065 59.282 58.200 0.029 0.000 0.957 432 S CB -1.258 62.014 63.200 0.120 0.000 0.764 432 S HN 0.595 nan 8.310 nan 0.000 0.514 433 Y N 0.281 120.697 120.300 0.193 0.000 2.511 433 Y HA 0.470 4.815 4.550 -0.341 0.000 0.279 433 Y C 1.651 177.623 175.900 0.121 0.000 1.157 433 Y CA -0.834 57.382 58.100 0.193 0.000 1.300 433 Y CB -0.609 37.934 38.460 0.138 0.000 1.052 433 Y HN 0.127 nan 8.280 nan 0.000 0.529 434 L N 0.600 121.799 121.223 -0.040 0.000 2.005 434 L HA 0.080 4.215 4.340 -0.341 0.000 0.207 434 L C 1.152 178.071 176.870 0.082 0.000 1.072 434 L CA 1.148 56.003 54.840 0.026 0.000 0.744 434 L CB -0.468 41.474 42.059 -0.195 0.000 0.895 434 L HN 0.413 nan 8.230 nan 0.000 0.433 435 A N -1.287 121.552 122.820 0.031 0.000 2.556 435 A HA 0.673 4.788 4.320 -0.341 0.000 0.294 435 A C -2.536 175.193 177.584 0.242 0.000 1.091 435 A CA -1.180 50.886 52.037 0.047 0.000 0.704 435 A CB 1.276 20.010 19.000 -0.443 0.000 1.300 435 A HN -0.121 nan 8.150 nan 0.000 0.406 436 P HA 0.284 nan 4.420 nan 0.000 0.276 436 P C -0.917 176.651 177.300 0.447 0.000 1.261 436 P CA -0.015 63.253 63.100 0.280 0.000 0.800 436 P CB 0.762 32.581 31.700 0.198 0.000 1.066 437 Q N -0.545 119.485 119.800 0.382 0.000 2.158 437 Q HA 0.170 4.305 4.340 -0.341 0.000 0.306 437 Q C 0.118 176.312 176.000 0.325 0.000 0.878 437 Q CA -0.255 55.817 55.803 0.447 0.000 1.136 437 Q CB 0.311 29.206 28.738 0.261 0.000 1.253 437 Q HN 0.518 nan 8.270 nan 0.000 0.441 438 T N -1.293 113.393 114.554 0.219 0.000 2.882 438 T HA 0.361 4.506 4.350 -0.341 0.000 0.287 438 T C -2.123 172.471 174.700 -0.177 0.000 1.014 438 T CA -1.610 60.538 62.100 0.082 0.000 1.049 438 T CB 0.715 69.619 68.868 0.059 0.000 1.001 438 T HN -0.029 nan 8.240 nan 0.000 0.525 439 P HA 0.032 nan 4.420 nan 0.000 0.268 439 P C -0.509 176.242 177.300 -0.916 0.000 1.208 439 P CA -0.083 62.257 63.100 -1.268 0.000 0.777 439 P CB 0.203 31.569 31.700 -0.557 0.000 0.875 440 H N -0.119 118.072 119.070 -1.466 0.000 2.580 440 H HA 0.186 4.538 4.556 -0.341 0.000 0.322 440 H C 0.987 176.148 175.328 -0.277 0.000 1.082 440 H CA -0.795 54.939 56.048 -0.524 0.000 1.383 440 H CB 0.787 30.443 29.762 -0.175 0.000 1.450 440 H HN 0.479 nan 8.280 nan 0.000 0.505 441 S N 2.976 118.677 115.700 0.002 0.000 2.566 441 S HA -0.047 4.218 4.470 -0.341 0.000 0.280 441 S C 1.476 176.153 174.600 0.129 0.000 1.343 441 S CA -0.620 57.620 58.200 0.067 0.000 1.036 441 S CB 0.582 63.838 63.200 0.093 0.000 0.866 441 S HN 0.587 nan 8.310 nan 0.000 0.526 442 L N 0.895 122.215 121.223 0.162 0.000 2.187 442 L HA -0.128 4.008 4.340 -0.341 0.000 0.213 442 L C 2.947 179.938 176.870 0.200 0.000 1.100 442 L CA 1.822 56.775 54.840 0.188 0.000 0.765 442 L CB -0.657 41.534 42.059 0.220 0.000 0.904 442 L HN 0.832 nan 8.230 nan 0.000 0.437 443 R N 0.712 121.335 120.500 0.206 0.000 2.075 443 R HA -0.133 4.002 4.340 -0.341 0.000 0.232 443 R C 2.374 178.837 176.300 0.273 0.000 1.126 443 R CA 1.358 57.604 56.100 0.243 0.000 0.963 443 R CB -0.216 30.197 30.300 0.189 0.000 0.858 443 R HN 0.279 nan 8.270 nan 0.000 0.435 444 A N 0.750 123.692 122.820 0.204 0.000 1.930 444 A HA -0.169 3.946 4.320 -0.341 0.000 0.217 444 A C 2.054 179.771 177.584 0.221 0.000 1.175 444 A CA 1.317 53.472 52.037 0.197 0.000 0.627 444 A CB -0.402 18.655 19.000 0.094 0.000 0.815 444 A HN 0.515 nan 8.150 nan 0.000 0.443 445 Q N -1.309 118.618 119.800 0.211 0.000 2.079 445 Q HA -0.243 3.893 4.340 -0.341 0.000 0.200 445 Q C 2.288 178.356 176.000 0.113 0.000 0.974 445 Q CA 1.687 57.596 55.803 0.176 0.000 0.840 445 Q CB -0.151 28.696 28.738 0.182 0.000 0.898 445 Q HN 0.759 nan 8.270 nan 0.000 0.430 446 Q N 0.245 120.132 119.800 0.145 0.000 2.167 446 Q HA -0.127 4.008 4.340 -0.341 0.000 0.202 446 Q C 2.013 178.055 176.000 0.069 0.000 0.970 446 Q CA 1.564 57.427 55.803 0.100 0.000 0.855 446 Q CB -0.226 28.607 28.738 0.158 0.000 0.911 446 Q HN 0.215 nan 8.270 nan 0.000 0.438 447 S N -1.464 114.359 115.700 0.205 0.000 2.355 447 S HA -0.102 4.163 4.470 -0.341 0.000 0.222 447 S C 1.807 176.506 174.600 0.165 0.000 1.031 447 S CA 1.280 59.648 58.200 0.281 0.000 0.993 447 S CB -0.354 63.187 63.200 0.568 0.000 0.859 447 S HN 0.310 nan 8.310 nan 0.000 0.453 448 V N 2.289 122.278 119.914 0.125 0.000 2.295 448 V HA -0.144 3.772 4.120 -0.341 0.000 0.246 448 V C 2.739 178.729 176.094 -0.174 0.000 1.049 448 V CA 2.081 64.407 62.300 0.044 0.000 1.024 448 V CB -0.748 31.091 31.823 0.027 0.000 0.648 448 V HN 0.446 nan 8.190 nan 0.000 0.447 449 R N -0.326 120.073 120.500 -0.167 0.000 2.073 449 R HA -0.113 4.022 4.340 -0.341 0.000 0.234 449 R C 2.313 178.452 176.300 -0.269 0.000 1.134 449 R CA 1.477 57.452 56.100 -0.208 0.000 0.952 449 R CB -0.524 29.689 30.300 -0.144 0.000 0.850 449 R HN 0.411 nan 8.270 nan 0.000 0.433 450 L N 0.009 121.060 121.223 -0.287 0.000 2.079 450 L HA -0.222 3.914 4.340 -0.341 0.000 0.210 450 L C 2.510 179.011 176.870 -0.615 0.000 1.081 450 L CA 1.053 55.654 54.840 -0.400 0.000 0.752 450 L CB -0.289 41.536 42.059 -0.389 0.000 0.896 450 L HN 0.240 nan 8.230 nan 0.000 0.433 451 M N -0.815 118.302 119.600 -0.805 0.000 2.276 451 M HA -0.059 4.216 4.480 -0.341 0.000 0.262 451 M C 2.762 178.548 176.300 -0.858 0.000 1.098 451 M CA 1.767 56.408 55.300 -1.099 0.000 1.167 451 M CB -1.070 30.457 32.600 -1.788 0.000 1.337 451 M HN 0.342 nan 8.290 nan 0.000 0.446 452 S N 0.501 115.758 115.700 -0.737 0.000 2.370 452 S HA -0.166 4.099 4.470 -0.341 0.000 0.226 452 S C 1.602 176.132 174.600 -0.116 0.000 1.033 452 S CA 1.459 59.550 58.200 -0.182 0.000 1.011 452 S CB -0.750 62.531 63.200 0.134 0.000 0.852 452 S HN 0.540 nan 8.310 nan 0.000 0.457 453 E N 1.451 121.544 120.200 -0.179 0.000 2.482 453 E HA 0.144 4.289 4.350 -0.341 0.000 0.196 453 E C -0.202 176.314 176.600 -0.139 0.000 1.047 453 E CA 0.079 56.402 56.400 -0.127 0.000 0.869 453 E CB 0.015 29.636 29.700 -0.133 0.000 0.836 453 E HN 0.507 nan 8.360 nan 0.000 0.520 454 N N 0.860 119.444 118.700 -0.195 0.000 2.314 454 N HA 0.236 4.771 4.740 -0.341 0.000 0.304 454 N C -1.127 174.294 175.510 -0.148 0.000 1.073 454 N CA -0.348 52.597 53.050 -0.175 0.000 0.822 454 N CB 2.044 40.397 38.487 -0.224 0.000 1.280 454 N HN -0.083 nan 8.380 nan 0.000 0.489 455 D N -0.948 119.388 120.400 -0.106 0.000 2.614 455 D HA 0.239 4.675 4.640 -0.341 0.000 0.264 455 D C -0.858 175.396 176.300 -0.076 0.000 1.092 455 D CA -0.166 53.785 54.000 -0.081 0.000 1.071 455 D CB 1.274 42.042 40.800 -0.053 0.000 1.443 455 D HN 0.495 nan 8.370 nan 0.000 0.528 456 D N 0.128 120.489 120.400 -0.065 0.000 2.701 456 D HA -0.179 4.257 4.640 -0.341 0.000 0.235 456 D C -0.768 175.490 176.300 -0.070 0.000 1.155 456 D CA 0.471 54.434 54.000 -0.061 0.000 0.649 456 D CB -0.905 39.864 40.800 -0.051 0.000 1.050 456 D HN 0.276 nan 8.370 nan 0.000 0.425 457 L N 0.250 121.421 121.223 -0.086 0.000 2.456 457 L HA 0.269 4.404 4.340 -0.341 0.000 0.272 457 L C 1.464 178.282 176.870 -0.087 0.000 1.189 457 L CA 0.566 55.354 54.840 -0.086 0.000 0.846 457 L CB 0.755 42.752 42.059 -0.103 0.000 1.111 457 L HN 0.273 nan 8.230 nan 0.000 0.475 458 T N -0.638 113.878 114.554 -0.063 0.000 2.949 458 T HA 0.290 4.435 4.350 -0.341 0.000 0.287 458 T C 0.657 175.331 174.700 -0.044 0.000 1.034 458 T CA -0.909 61.152 62.100 -0.065 0.000 1.018 458 T CB 1.686 70.521 68.868 -0.055 0.000 1.135 458 T HN 0.391 nan 8.240 nan 0.000 0.532 459 L N 0.811 121.998 121.223 -0.060 0.000 2.046 459 L HA 0.048 4.183 4.340 -0.341 0.000 0.208 459 L C 2.308 179.163 176.870 -0.024 0.000 1.077 459 L CA 1.959 56.781 54.840 -0.030 0.000 0.747 459 L CB -1.293 40.731 42.059 -0.059 0.000 0.896 459 L HN 0.797 nan 8.230 nan 0.000 0.432 460 E N -0.504 119.647 120.200 -0.081 0.000 2.058 460 E HA -0.240 3.905 4.350 -0.341 0.000 0.194 460 E C 2.320 178.874 176.600 -0.075 0.000 0.997 460 E CA 1.369 57.699 56.400 -0.117 0.000 0.801 460 E CB -0.344 29.290 29.700 -0.109 0.000 0.746 460 E HN 0.299 nan 8.360 nan 0.000 0.450 461 R N -0.025 120.452 120.500 -0.040 0.000 2.092 461 R HA -0.056 4.080 4.340 -0.341 0.000 0.231 461 R C 1.964 178.264 176.300 -0.001 0.000 1.119 461 R CA 0.960 57.039 56.100 -0.036 0.000 0.970 461 R CB -0.895 29.381 30.300 -0.041 0.000 0.864 461 R HN 0.236 nan 8.270 nan 0.000 0.440 462 F N 0.437 120.307 119.950 -0.132 0.000 2.161 462 F HA -0.137 4.185 4.527 -0.341 0.000 0.300 462 F C 1.852 177.630 175.800 -0.035 0.000 1.089 462 F CA 1.816 59.752 58.000 -0.106 0.000 1.282 462 F CB -0.169 38.773 39.000 -0.097 0.000 1.010 462 F HN 0.032 nan 8.300 nan 0.000 0.485 463 M N -0.561 118.992 119.600 -0.079 0.000 2.200 463 M HA -0.102 4.173 4.480 -0.341 0.000 0.265 463 M C 2.451 178.641 176.300 -0.182 0.000 1.066 463 M CA 1.479 56.630 55.300 -0.248 0.000 1.127 463 M CB -0.705 31.697 32.600 -0.330 0.000 1.379 463 M HN 0.217 nan 8.290 nan 0.000 0.420 464 A N 0.676 123.425 122.820 -0.118 0.000 1.902 464 A HA -0.119 3.996 4.320 -0.341 0.000 0.217 464 A C 2.109 179.645 177.584 -0.081 0.000 1.181 464 A CA 1.366 53.352 52.037 -0.085 0.000 0.623 464 A CB -0.952 18.002 19.000 -0.077 0.000 0.818 464 A HN 0.451 nan 8.150 nan 0.000 0.443 465 L N -0.720 120.449 121.223 -0.090 0.000 2.131 465 L HA -0.203 3.933 4.340 -0.341 0.000 0.210 465 L C 2.860 179.759 176.870 0.048 0.000 1.092 465 L CA 1.367 56.166 54.840 -0.069 0.000 0.759 465 L CB -0.466 41.483 42.059 -0.184 0.000 0.903 465 L HN 0.491 nan 8.230 nan 0.000 0.435 466 Q N 0.856 120.678 119.800 0.035 0.000 2.170 466 Q HA -0.165 3.970 4.340 -0.341 0.000 0.203 466 Q C 2.053 178.126 176.000 0.122 0.000 0.976 466 Q CA 1.410 57.229 55.803 0.026 0.000 0.858 466 Q CB -0.085 28.546 28.738 -0.178 0.000 0.907 466 Q HN 0.551 nan 8.270 nan 0.000 0.433 467 L N 0.863 122.110 121.223 0.040 0.000 2.610 467 L HA 0.048 4.183 4.340 -0.341 0.000 0.232 467 L C 1.205 178.044 176.870 -0.051 0.000 1.149 467 L CA -0.215 54.644 54.840 0.032 0.000 0.872 467 L CB -0.258 41.797 42.059 -0.006 0.000 0.992 467 L HN -0.029 nan 8.230 nan 0.000 0.447 468 S N 1.090 116.802 115.700 0.019 0.000 2.626 468 S HA -0.118 4.147 4.470 -0.341 0.000 0.303 468 S C 0.646 175.354 174.600 0.179 0.000 1.256 468 S CA 0.045 58.257 58.200 0.021 0.000 1.069 468 S CB -0.211 63.013 63.200 0.040 0.000 0.807 468 S HN 0.645 nan 8.310 nan 0.000 0.500 469 H N 2.325 121.493 119.070 0.163 0.000 2.901 469 H HA 0.420 4.769 4.556 -0.344 0.000 0.227 469 H C -0.064 175.363 175.328 0.165 0.000 1.390 469 H CA -1.053 55.141 56.048 0.243 0.000 1.120 469 H CB 0.022 29.954 29.762 0.283 0.000 2.131 469 H HN 0.439 nan 8.280 nan 0.000 0.549 470 R N 1.633 122.273 120.500 0.235 0.000 2.594 470 R HA 0.386 4.521 4.340 -0.341 0.000 0.272 470 R C -0.068 176.157 176.300 -0.126 0.000 1.074 470 R CA 0.293 56.366 56.100 -0.046 0.000 1.105 470 R CB 0.630 30.903 30.300 -0.046 0.000 1.008 470 R HN 0.530 nan 8.270 nan 0.000 0.472 471 A N 4.747 127.242 122.820 -0.542 0.000 3.094 471 A HA 0.225 4.340 4.320 -0.341 0.000 0.288 471 A C 0.975 178.406 177.584 -0.255 0.000 1.519 471 A CA -0.612 51.118 52.037 -0.513 0.000 1.227 471 A CB -0.319 17.973 19.000 -1.180 0.000 1.175 471 A HN 0.680 nan 8.150 nan 0.000 0.568 472 V N 1.214 121.119 119.914 -0.015 0.000 2.370 472 V HA -0.353 3.562 4.120 -0.341 0.000 0.252 472 V C 2.548 178.730 176.094 0.147 0.000 1.068 472 V CA 2.677 65.010 62.300 0.056 0.000 1.061 472 V CB -0.875 31.029 31.823 0.135 0.000 0.656 472 V HN 0.922 nan 8.190 nan 0.000 0.455 473 M N 0.931 120.693 119.600 0.270 0.000 2.149 473 M HA -0.136 4.139 4.480 -0.341 0.000 0.261 473 M C 2.015 178.582 176.300 0.445 0.000 1.064 473 M CA 2.240 57.832 55.300 0.488 0.000 1.102 473 M CB -0.622 32.391 32.600 0.687 0.000 1.369 473 M HN 0.266 nan 8.290 nan 0.000 0.408 474 A N -0.331 122.496 122.820 0.013 0.000 1.930 474 A HA -0.163 3.952 4.320 -0.341 0.000 0.217 474 A C 1.913 179.429 177.584 -0.112 0.000 1.175 474 A CA 1.978 53.821 52.037 -0.322 0.000 0.627 474 A CB -0.987 17.418 19.000 -0.993 0.000 0.815 474 A HN 0.600 nan 8.150 nan 0.000 0.443 475 D N -0.526 119.824 120.400 -0.083 0.000 2.178 475 D HA -0.097 4.338 4.640 -0.341 0.000 0.202 475 D C 1.908 178.311 176.300 0.173 0.000 0.974 475 D CA 0.781 54.783 54.000 0.004 0.000 0.841 475 D CB -0.185 40.611 40.800 -0.006 0.000 0.953 475 D HN 0.259 nan 8.370 nan 0.000 0.478 476 R N 0.153 120.795 120.500 0.236 0.000 2.200 476 R HA 0.023 4.158 4.340 -0.341 0.000 0.208 476 R C 2.018 178.316 176.300 -0.004 0.000 1.033 476 R CA 0.868 57.142 56.100 0.289 0.000 1.000 476 R CB -0.441 30.132 30.300 0.454 0.000 0.906 476 R HN 0.349 nan 8.270 nan 0.000 0.462 477 T N -2.947 111.647 114.554 0.067 0.000 3.058 477 T HA 0.206 4.351 4.350 -0.341 0.000 0.247 477 T C 2.050 176.656 174.700 -0.157 0.000 0.987 477 T CA -0.303 61.749 62.100 -0.079 0.000 1.062 477 T CB -0.263 68.591 68.868 -0.023 0.000 1.048 477 T HN -0.045 nan 8.240 nan 0.000 0.468 478 L N 1.427 122.595 121.223 -0.092 0.000 2.081 478 L HA 0.006 4.141 4.340 -0.341 0.000 0.212 478 L C -0.581 176.232 176.870 -0.095 0.000 1.080 478 L CA 1.536 56.298 54.840 -0.130 0.000 0.754 478 L CB -1.694 40.315 42.059 -0.084 0.000 0.893 478 L HN 0.253 nan 8.230 nan 0.000 0.433 479 P HA -0.157 nan 4.420 nan 0.000 0.217 479 P C 0.814 178.109 177.300 -0.009 0.000 1.148 479 P CA 1.421 64.528 63.100 0.013 0.000 0.828 479 P CB 0.066 31.840 31.700 0.122 0.000 0.783 480 D N -1.871 118.498 120.400 -0.051 0.000 2.259 480 D HA -0.017 4.418 4.640 -0.341 0.000 0.216 480 D C 1.776 178.026 176.300 -0.083 0.000 0.961 480 D CA 0.401 54.373 54.000 -0.047 0.000 0.878 480 D CB -0.829 39.940 40.800 -0.053 0.000 1.009 480 D HN -0.021 nan 8.370 nan 0.000 0.490 481 L N 1.124 122.245 121.223 -0.169 0.000 1.994 481 L HA -0.092 4.043 4.340 -0.341 0.000 0.208 481 L C 2.111 178.871 176.870 -0.183 0.000 1.071 481 L CA 1.435 56.128 54.840 -0.245 0.000 0.745 481 L CB -0.596 41.127 42.059 -0.561 0.000 0.892 481 L HN -0.019 nan 8.230 nan 0.000 0.431 482 I N -0.329 120.146 120.570 -0.159 0.000 2.091 482 I HA -0.282 3.683 4.170 -0.341 0.000 0.239 482 I C -0.227 175.850 176.117 -0.066 0.000 1.061 482 I CA 1.742 62.978 61.300 -0.107 0.000 1.317 482 I CB -1.709 36.244 38.000 -0.078 0.000 1.031 482 I HN 0.258 nan 8.210 nan 0.000 0.401 483 P HA -0.222 nan 4.420 nan 0.000 0.215 483 P C 1.471 178.758 177.300 -0.021 0.000 1.157 483 P CA 2.127 65.213 63.100 -0.025 0.000 0.874 483 P CB -0.069 31.624 31.700 -0.012 0.000 0.790 484 A N -0.327 122.479 122.820 -0.024 0.000 1.933 484 A HA -0.107 4.008 4.320 -0.341 0.000 0.218 484 A C 2.304 179.879 177.584 -0.015 0.000 1.175 484 A CA 2.069 54.100 52.037 -0.011 0.000 0.628 484 A CB -1.586 17.413 19.000 -0.001 0.000 0.814 484 A HN 0.204 nan 8.150 nan 0.000 0.444 485 A N -0.408 122.388 122.820 -0.039 0.000 1.969 485 A HA 0.059 4.175 4.320 -0.341 0.000 0.218 485 A C 2.039 179.607 177.584 -0.026 0.000 1.169 485 A CA 1.228 53.241 52.037 -0.039 0.000 0.635 485 A CB -0.509 18.443 19.000 -0.080 0.000 0.810 485 A HN 0.458 nan 8.150 nan 0.000 0.445 486 L N -0.430 120.777 121.223 -0.027 0.000 2.362 486 L HA -0.080 4.055 4.340 -0.341 0.000 0.219 486 L C 2.050 178.915 176.870 -0.009 0.000 1.134 486 L CA 0.584 55.413 54.840 -0.018 0.000 0.807 486 L CB -0.346 41.702 42.059 -0.018 0.000 0.927 486 L HN 0.394 nan 8.230 nan 0.000 0.447 487 I N -1.183 119.384 120.570 -0.005 0.000 2.676 487 I HA -0.152 3.813 4.170 -0.341 0.000 0.259 487 I C 1.175 177.295 176.117 0.004 0.000 1.194 487 I CA 0.443 61.743 61.300 0.001 0.000 1.473 487 I CB -0.143 37.860 38.000 0.005 0.000 1.096 487 I HN 0.222 nan 8.210 nan 0.000 0.443 488 D N 1.493 121.895 120.400 0.003 0.000 2.424 488 D HA -0.004 4.431 4.640 -0.341 0.000 0.244 488 D C -1.623 174.679 176.300 0.005 0.000 1.134 488 D CA -1.251 52.753 54.000 0.007 0.000 0.881 488 D CB 1.913 42.718 40.800 0.008 0.000 1.191 488 D HN -0.064 nan 8.370 nan 0.000 0.445 489 P HA -0.082 nan 4.420 nan 0.000 0.217 489 P C -0.008 177.295 177.300 0.005 0.000 1.150 489 P CA 0.549 63.653 63.100 0.005 0.000 0.832 489 P CB 0.127 31.831 31.700 0.007 0.000 0.787 490 D N 0.686 121.089 120.400 0.006 0.000 2.368 490 D HA -0.038 4.397 4.640 -0.341 0.000 0.268 490 D C -1.116 175.186 176.300 0.003 0.000 1.298 490 D CA -1.795 52.209 54.000 0.006 0.000 0.938 490 D CB 0.371 41.176 40.800 0.009 0.000 1.101 490 D HN 0.144 nan 8.370 nan 0.000 0.509 491 P HA -0.186 nan 4.420 nan 0.000 0.221 491 P C 1.067 178.366 177.300 -0.002 0.000 1.145 491 P CA 0.938 64.037 63.100 -0.001 0.000 0.795 491 P CB 0.395 32.094 31.700 -0.001 0.000 0.775 492 E N -0.199 120.002 120.200 0.001 0.000 2.158 492 E HA -0.062 4.083 4.350 -0.341 0.000 0.191 492 E C 1.902 178.501 176.600 -0.001 0.000 0.982 492 E CA 0.470 56.870 56.400 0.001 0.000 0.823 492 E CB -0.061 29.642 29.700 0.005 0.000 0.766 492 E HN 0.003 nan 8.360 nan 0.000 0.468 493 V N 1.225 121.140 119.914 0.001 0.000 2.453 493 V HA -0.238 3.677 4.120 -0.341 0.000 0.247 493 V C 2.185 178.271 176.094 -0.014 0.000 1.048 493 V CA 1.677 63.975 62.300 -0.002 0.000 1.049 493 V CB -0.428 31.398 31.823 0.004 0.000 0.672 493 V HN 0.284 nan 8.190 nan 0.000 0.457 494 Q N 0.356 120.149 119.800 -0.011 0.000 2.079 494 Q HA -0.129 4.006 4.340 -0.341 0.000 0.200 494 Q C 2.423 178.412 176.000 -0.017 0.000 0.974 494 Q CA 1.734 57.529 55.803 -0.015 0.000 0.840 494 Q CB -0.445 28.288 28.738 -0.010 0.000 0.898 494 Q HN 0.645 nan 8.270 nan 0.000 0.430 495 A N 1.324 124.136 122.820 -0.014 0.000 1.898 495 A HA -0.074 4.041 4.320 -0.341 0.000 0.216 495 A C 2.339 179.911 177.584 -0.021 0.000 1.181 495 A CA 1.479 53.507 52.037 -0.015 0.000 0.620 495 A CB -0.773 18.220 19.000 -0.011 0.000 0.819 495 A HN 0.384 nan 8.150 nan 0.000 0.442 496 A N -0.002 122.805 122.820 -0.022 0.000 1.902 496 A HA 0.146 4.261 4.320 -0.341 0.000 0.217 496 A C 2.513 180.073 177.584 -0.041 0.000 1.181 496 A CA 2.110 54.129 52.037 -0.029 0.000 0.623 496 A CB -1.063 17.924 19.000 -0.022 0.000 0.818 496 A HN 1.072 nan 8.150 nan 0.000 0.443 497 A N -0.128 122.665 122.820 -0.045 0.000 1.908 497 A HA -0.204 3.911 4.320 -0.341 0.000 0.218 497 A C 2.262 179.824 177.584 -0.036 0.000 1.181 497 A CA 1.629 53.633 52.037 -0.056 0.000 0.627 497 A CB -0.489 18.478 19.000 -0.055 0.000 0.818 497 A HN 0.565 nan 8.150 nan 0.000 0.445 498 R N -1.266 119.218 120.500 -0.026 0.000 2.092 498 R HA -0.064 4.071 4.340 -0.341 0.000 0.231 498 R C 2.129 178.422 176.300 -0.011 0.000 1.119 498 R CA 1.271 57.361 56.100 -0.017 0.000 0.970 498 R CB -0.585 29.706 30.300 -0.015 0.000 0.864 498 R HN 0.509 nan 8.270 nan 0.000 0.440 499 L N 1.309 122.520 121.223 -0.021 0.000 2.017 499 L HA -0.139 3.996 4.340 -0.341 0.000 0.208 499 L C 1.983 178.847 176.870 -0.010 0.000 1.073 499 L CA 1.668 56.491 54.840 -0.029 0.000 0.745 499 L CB -0.439 41.587 42.059 -0.055 0.000 0.894 499 L HN 0.096 nan 8.230 nan 0.000 0.432 500 L N -0.570 120.649 121.223 -0.006 0.000 2.131 500 L HA -0.163 3.972 4.340 -0.341 0.000 0.210 500 L C 2.652 179.586 176.870 0.107 0.000 1.092 500 L CA 1.079 55.957 54.840 0.064 0.000 0.759 500 L CB -0.875 41.205 42.059 0.035 0.000 0.903 500 L HN 0.406 nan 8.230 nan 0.000 0.435 501 A N -0.026 122.816 122.820 0.036 0.000 1.898 501 A HA -0.129 3.986 4.320 -0.341 0.000 0.216 501 A C 2.475 180.077 177.584 0.030 0.000 1.181 501 A CA 1.641 53.688 52.037 0.017 0.000 0.620 501 A CB -0.652 18.344 19.000 -0.007 0.000 0.819 501 A HN 0.380 nan 8.150 nan 0.000 0.442 502 A N -1.872 120.974 122.820 0.045 0.000 2.066 502 A HA 0.049 4.164 4.320 -0.341 0.000 0.218 502 A C 0.862 178.502 177.584 0.094 0.000 1.157 502 A CA 0.298 52.361 52.037 0.043 0.000 0.670 502 A CB -0.549 18.469 19.000 0.030 0.000 0.804 502 A HN 0.683 nan 8.150 nan 0.000 0.453 503 W N 3.137 124.370 121.300 -0.112 0.000 2.347 503 W HA 0.148 4.610 4.660 -0.331 0.000 0.333 503 W C 0.403 176.820 176.519 -0.171 0.000 1.383 503 W CA -0.156 57.100 57.345 -0.148 0.000 1.283 503 W CB 0.472 29.824 29.460 -0.180 0.000 1.253 503 W HN 0.454 nan 8.180 nan 0.000 0.563 504 D N 4.661 124.916 120.400 -0.241 0.000 2.378 504 D HA -0.165 4.271 4.640 -0.341 0.000 0.227 504 D C 0.610 176.410 176.300 -0.834 0.000 1.012 504 D CA 0.340 54.100 54.000 -0.401 0.000 0.905 504 D CB -0.268 40.395 40.800 -0.229 0.000 0.895 504 D HN 0.685 nan 8.370 nan 0.000 0.532 505 R N -0.591 118.821 120.500 -1.813 0.000 3.651 505 R HA -0.118 4.017 4.340 -0.341 0.000 0.292 505 R C -0.778 174.530 176.300 -1.653 0.000 1.161 505 R CA 0.743 55.380 56.100 -2.438 0.000 0.787 505 R CB -1.906 27.601 30.300 -1.322 0.000 1.249 505 R HN 0.308 nan 8.270 nan 0.000 0.476 506 E N 0.249 119.733 120.200 -1.193 0.000 2.199 506 E HA 0.220 4.365 4.350 -0.341 0.000 0.269 506 E C -0.306 175.955 176.600 -0.565 0.000 0.899 506 E CA -0.787 55.209 56.400 -0.674 0.000 0.772 506 E CB 0.728 30.243 29.700 -0.308 0.000 1.155 506 E HN 0.086 nan 8.360 nan 0.000 0.408 507 F N 2.058 121.654 119.950 -0.590 0.000 2.661 507 F HA 0.039 4.365 4.527 -0.336 0.000 0.356 507 F C 1.219 176.502 175.800 -0.862 0.000 1.244 507 F CA -0.269 57.281 58.000 -0.750 0.000 1.290 507 F CB -0.035 38.598 39.000 -0.612 0.000 1.677 507 F HN 0.121 nan 8.300 nan 0.000 0.649 508 T N -3.256 111.077 114.554 -0.368 0.000 2.934 508 T HA 0.218 4.363 4.350 -0.341 0.000 0.283 508 T C 1.293 176.023 174.700 0.051 0.000 1.005 508 T CA -0.817 61.219 62.100 -0.107 0.000 1.041 508 T CB 1.810 70.675 68.868 -0.004 0.000 1.042 508 T HN 0.212 nan 8.240 nan 0.000 0.505 509 S N 1.196 116.980 115.700 0.140 0.000 2.370 509 S HA -0.133 4.133 4.470 -0.341 0.000 0.226 509 S C 1.736 176.400 174.600 0.106 0.000 1.033 509 S CA 1.494 59.793 58.200 0.165 0.000 1.011 509 S CB -0.489 62.763 63.200 0.086 0.000 0.852 509 S HN 0.963 nan 8.310 nan 0.000 0.457 510 D N 1.004 121.443 120.400 0.065 0.000 2.363 510 D HA 0.036 4.471 4.640 -0.341 0.000 0.226 510 D C 0.512 176.827 176.300 0.025 0.000 1.020 510 D CA 0.108 54.129 54.000 0.035 0.000 0.892 510 D CB -0.334 40.483 40.800 0.028 0.000 0.900 510 D HN 0.194 nan 8.370 nan 0.000 0.531 511 S N 0.443 116.165 115.700 0.038 0.000 2.498 511 S HA 0.087 4.352 4.470 -0.341 0.000 0.281 511 S C 0.944 175.487 174.600 -0.094 0.000 1.265 511 S CA -0.537 57.649 58.200 -0.024 0.000 1.071 511 S CB 0.422 63.601 63.200 -0.034 0.000 0.894 511 S HN 0.161 nan 8.310 nan 0.000 0.491 512 R N 3.500 123.911 120.500 -0.149 0.000 2.334 512 R HA 0.224 4.359 4.340 -0.341 0.000 0.216 512 R C 1.404 177.549 176.300 -0.260 0.000 0.905 512 R CA 0.553 56.559 56.100 -0.156 0.000 1.064 512 R CB 0.145 30.385 30.300 -0.100 0.000 1.046 512 R HN 0.630 nan 8.270 nan 0.000 0.508 513 A N 0.548 123.066 122.820 -0.503 0.000 2.192 513 A HA 0.334 4.449 4.320 -0.341 0.000 0.208 513 A C 2.096 179.126 177.584 -0.923 0.000 1.220 513 A CA 0.506 52.122 52.037 -0.702 0.000 0.900 513 A CB 0.139 18.629 19.000 -0.850 0.000 0.937 513 A HN 0.220 nan 8.150 nan 0.000 0.487 514 A N 0.752 122.963 122.820 -1.016 0.000 1.892 514 A HA -0.130 3.985 4.320 -0.341 0.000 0.218 514 A C 2.078 179.675 177.584 0.022 0.000 1.188 514 A CA 1.678 53.385 52.037 -0.550 0.000 0.631 514 A CB -0.759 18.155 19.000 -0.143 0.000 0.822 514 A HN 0.468 nan 8.150 nan 0.000 0.447 515 L N -1.253 119.977 121.223 0.012 0.000 1.989 515 L HA -0.212 3.924 4.340 -0.341 0.000 0.211 515 L C 2.611 179.521 176.870 0.067 0.000 1.071 515 L CA 1.548 56.366 54.840 -0.037 0.000 0.749 515 L CB -0.701 41.099 42.059 -0.432 0.000 0.890 515 L HN 0.493 nan 8.230 nan 0.000 0.431 516 L N -0.596 120.633 121.223 0.010 0.000 2.079 516 L HA -0.251 3.884 4.340 -0.341 0.000 0.210 516 L C 2.360 179.321 176.870 0.152 0.000 1.081 516 L CA 1.659 56.543 54.840 0.073 0.000 0.752 516 L CB -0.605 41.457 42.059 0.005 0.000 0.896 516 L HN 0.093 nan 8.230 nan 0.000 0.433 517 F N 0.613 120.568 119.950 0.009 0.000 2.134 517 F HA -0.187 4.132 4.527 -0.346 0.000 0.299 517 F C 2.296 178.304 175.800 0.346 0.000 1.097 517 F CA 1.959 60.058 58.000 0.165 0.000 1.264 517 F CB -0.232 38.834 39.000 0.110 0.000 1.001 517 F HN 0.232 nan 8.300 nan 0.000 0.479 518 E N -0.213 120.207 120.200 0.367 0.000 2.085 518 E HA -0.232 3.913 4.350 -0.341 0.000 0.194 518 E C 2.046 178.827 176.600 0.303 0.000 0.994 518 E CA 1.338 57.940 56.400 0.335 0.000 0.801 518 E CB -0.291 29.675 29.700 0.444 0.000 0.743 518 E HN 0.387 nan 8.360 nan 0.000 0.453 519 E N 0.191 120.544 120.200 0.255 0.000 2.118 519 E HA -0.196 3.949 4.350 -0.341 0.000 0.195 519 E C 1.577 178.264 176.600 0.146 0.000 0.992 519 E CA 0.857 57.376 56.400 0.199 0.000 0.804 519 E CB -0.355 29.462 29.700 0.196 0.000 0.741 519 E HN 0.436 nan 8.360 nan 0.000 0.458 520 W N 1.391 122.652 121.300 -0.064 0.000 2.407 520 W HA -0.049 4.401 4.660 -0.349 0.000 0.305 520 W C 2.374 178.836 176.519 -0.095 0.000 1.196 520 W CA 2.148 59.422 57.345 -0.118 0.000 1.311 520 W CB -0.486 28.833 29.460 -0.236 0.000 1.135 520 W HN 0.033 nan 8.180 nan 0.000 0.514 521 A N 0.910 123.646 122.820 -0.141 0.000 1.978 521 A HA -0.222 3.893 4.320 -0.341 0.000 0.220 521 A C 1.988 179.619 177.584 0.077 0.000 1.170 521 A CA 1.897 53.865 52.037 -0.115 0.000 0.636 521 A CB -0.779 18.251 19.000 0.049 0.000 0.810 521 A HN 0.438 nan 8.150 nan 0.000 0.448 522 R N -0.741 119.826 120.500 0.113 0.000 2.120 522 R HA -0.048 4.087 4.340 -0.341 0.000 0.234 522 R C 1.891 178.056 176.300 -0.224 0.000 1.123 522 R CA 1.454 57.453 56.100 -0.168 0.000 0.975 522 R CB -0.381 29.826 30.300 -0.154 0.000 0.866 522 R HN 0.550 nan 8.270 nan 0.000 0.446 523 L N -1.296 119.786 121.223 -0.236 0.000 2.102 523 L HA -0.039 4.096 4.340 -0.341 0.000 0.202 523 L C 2.176 178.849 176.870 -0.328 0.000 1.076 523 L CA 0.610 55.297 54.840 -0.255 0.000 0.761 523 L CB -0.419 41.505 42.059 -0.224 0.000 0.921 523 L HN 0.073 nan 8.230 nan 0.000 0.444 524 F N 1.259 120.787 119.950 -0.704 0.000 2.134 524 F HA -0.138 4.185 4.527 -0.339 0.000 0.299 524 F C 2.038 177.560 175.800 -0.462 0.000 1.097 524 F CA 1.484 59.019 58.000 -0.775 0.000 1.264 524 F CB 0.019 38.085 39.000 -1.556 0.000 1.001 524 F HN -0.032 nan 8.300 nan 0.000 0.479 525 A N -0.302 122.342 122.820 -0.294 0.000 2.538 525 A HA 0.583 4.699 4.320 -0.341 0.000 0.269 525 A C 0.817 178.319 177.584 -0.137 0.000 1.231 525 A CA 0.408 52.342 52.037 -0.171 0.000 0.948 525 A CB -0.920 18.181 19.000 0.168 0.000 1.110 525 A HN 0.925 nan 8.150 nan 0.000 0.529 526 G N -0.840 107.828 108.800 -0.219 0.000 2.730 526 G HA2 -0.140 3.615 3.960 -0.341 0.000 0.686 526 G HA3 -0.140 3.615 3.960 -0.341 0.000 0.686 526 G C 0.180 174.838 174.900 -0.404 0.000 1.343 526 G CA -0.145 44.808 45.100 -0.244 0.000 0.826 526 G HN 0.096 nan 8.290 nan 0.000 0.582 527 Q N 0.457 120.021 119.800 -0.393 0.000 2.297 527 Q HA -0.121 4.014 4.340 -0.341 0.000 0.208 527 Q C 2.215 177.756 176.000 -0.765 0.000 0.981 527 Q CA 1.990 57.472 55.803 -0.535 0.000 0.876 527 Q CB -0.223 28.326 28.738 -0.316 0.000 0.921 527 Q HN 0.858 nan 8.270 nan 0.000 0.446 528 N N -0.809 117.577 118.700 -0.523 0.000 2.299 528 N HA -0.071 4.464 4.740 -0.341 0.000 0.187 528 N C 0.012 175.413 175.510 -0.182 0.000 1.099 528 N CA -0.065 52.777 53.050 -0.346 0.000 0.867 528 N CB -0.304 38.103 38.487 -0.135 0.000 0.974 528 N HN 0.178 nan 8.380 nan 0.000 0.477 529 F N -1.247 118.677 119.950 -0.043 0.000 2.988 529 F HA -0.290 4.034 4.527 -0.340 0.000 0.287 529 F C 1.217 177.070 175.800 0.089 0.000 0.781 529 F CA 0.389 58.405 58.000 0.027 0.000 1.221 529 F CB -1.726 37.312 39.000 0.063 0.000 1.392 529 F HN 0.312 nan 8.300 nan 0.000 0.425 530 A N 0.161 123.073 122.820 0.153 0.000 2.303 530 A HA 0.539 4.654 4.320 -0.341 0.000 0.217 530 A C 1.618 179.272 177.584 0.116 0.000 1.205 530 A CA 0.512 52.632 52.037 0.138 0.000 0.875 530 A CB -0.385 18.661 19.000 0.077 0.000 0.910 530 A HN 0.508 nan 8.150 nan 0.000 0.501 531 G N -0.911 107.932 108.800 0.071 0.000 2.484 531 G HA2 0.327 4.082 3.960 -0.341 0.000 0.235 531 G HA3 0.327 4.082 3.960 -0.341 0.000 0.235 531 G C 0.406 175.391 174.900 0.143 0.000 1.282 531 G CA -0.115 45.001 45.100 0.027 0.000 0.857 531 G HN 0.231 nan 8.290 nan 0.000 0.571 532 Q N 1.063 120.939 119.800 0.125 0.000 2.322 532 Q HA 0.129 4.264 4.340 -0.341 0.000 0.250 532 Q C 2.651 178.771 176.000 0.200 0.000 0.853 532 Q CA 0.575 56.543 55.803 0.274 0.000 0.951 532 Q CB 0.209 29.056 28.738 0.181 0.000 1.114 532 Q HN 0.652 nan 8.270 nan 0.000 0.523 533 A N 1.186 124.015 122.820 0.014 0.000 1.997 533 A HA -0.154 3.961 4.320 -0.341 0.000 0.221 533 A C 2.155 179.655 177.584 -0.140 0.000 1.172 533 A CA 2.043 54.051 52.037 -0.047 0.000 0.645 533 A CB -0.988 17.958 19.000 -0.090 0.000 0.813 533 A HN 0.410 nan 8.150 nan 0.000 0.454 534 G N -1.190 107.338 108.800 -0.453 0.000 2.422 534 G HA2 0.104 3.860 3.960 -0.341 0.000 0.218 534 G HA3 0.104 3.860 3.960 -0.341 0.000 0.218 534 G C 0.521 175.277 174.900 -0.239 0.000 1.140 534 G CA 0.139 44.775 45.100 -0.773 0.000 0.775 534 G HN 0.378 nan 8.290 nan 0.000 0.545 535 F N 0.253 120.233 119.950 0.051 0.000 2.506 535 F HA 0.404 4.711 4.527 -0.368 0.000 0.351 535 F C 1.629 177.528 175.800 0.165 0.000 1.136 535 F CA -0.028 58.118 58.000 0.243 0.000 1.298 535 F CB 1.138 40.272 39.000 0.223 0.000 1.145 535 F HN 0.085 nan 8.300 nan 0.000 0.593 536 A N 1.320 124.351 122.820 0.353 0.000 1.898 536 A HA 0.038 4.153 4.320 -0.341 0.000 0.214 536 A C 0.935 178.663 177.584 0.241 0.000 1.183 536 A CA 0.931 53.113 52.037 0.241 0.000 0.622 536 A CB -0.460 18.661 19.000 0.201 0.000 0.824 536 A HN 0.632 nan 8.150 nan 0.000 0.444 537 T N 2.705 117.434 114.554 0.292 0.000 2.772 537 T HA 0.473 4.618 4.350 -0.341 0.000 0.288 537 T C -2.718 172.107 174.700 0.208 0.000 0.994 537 T CA -1.233 61.005 62.100 0.231 0.000 0.951 537 T CB 1.857 70.876 68.868 0.251 0.000 0.933 537 T HN 0.226 nan 8.240 nan 0.000 0.447 538 P HA 0.090 nan 4.420 nan 0.000 0.273 538 P C -0.475 176.901 177.300 0.127 0.000 1.250 538 P CA -0.684 62.508 63.100 0.152 0.000 0.793 538 P CB 0.957 32.742 31.700 0.143 0.000 1.011 539 W N 1.592 122.878 121.300 -0.023 0.000 2.190 539 W HA 0.340 4.790 4.660 -0.351 0.000 0.330 539 W C -0.088 176.424 176.519 -0.012 0.000 1.299 539 W CA 0.911 58.234 57.345 -0.036 0.000 1.215 539 W CB 0.580 30.014 29.460 -0.044 0.000 1.147 539 W HN 0.312 nan 8.180 nan 0.000 0.563 540 S N 5.205 120.283 115.700 -1.036 0.000 2.549 540 S HA 0.268 4.534 4.470 -0.341 0.000 0.280 540 S C -0.133 173.557 174.600 -1.517 0.000 1.109 540 S CA -0.831 56.797 58.200 -0.952 0.000 0.905 540 S CB 1.344 64.281 63.200 -0.438 0.000 1.081 540 S HN 0.624 nan 8.310 nan 0.000 0.477 541 L N 2.842 123.430 121.223 -1.058 0.000 2.376 541 L HA 0.222 4.357 4.340 -0.341 0.000 0.219 541 L C 1.377 178.059 176.870 -0.314 0.000 1.133 541 L CA 1.788 56.232 54.840 -0.659 0.000 0.816 541 L CB -0.494 41.439 42.059 -0.211 0.000 0.933 541 L HN 0.741 nan 8.230 nan 0.000 0.449 542 D N 0.011 120.235 120.400 -0.293 0.000 2.347 542 D HA -0.052 4.383 4.640 -0.341 0.000 0.215 542 D C 0.531 176.770 176.300 -0.101 0.000 0.976 542 D CA 0.783 54.702 54.000 -0.135 0.000 0.884 542 D CB 0.235 40.965 40.800 -0.118 0.000 0.915 542 D HN 0.362 nan 8.370 nan 0.000 0.526 543 K N 0.512 120.775 120.400 -0.228 0.000 3.262 543 K HA 0.128 4.243 4.320 -0.341 0.000 0.166 543 K C -2.095 174.338 176.600 -0.277 0.000 1.091 543 K CA -0.858 55.327 56.287 -0.169 0.000 0.798 543 K CB 2.305 34.714 32.500 -0.152 0.000 0.953 543 K HN -0.120 nan 8.250 nan 0.000 0.588 544 P HA -0.158 nan 4.420 nan 0.000 0.221 544 P C 0.944 178.319 177.300 0.126 0.000 1.145 544 P CA 1.266 64.317 63.100 -0.082 0.000 0.795 544 P CB 0.140 31.878 31.700 0.064 0.000 0.775 545 V N -3.657 116.229 119.914 -0.048 0.000 3.276 545 V HA 0.338 4.253 4.120 -0.341 0.000 0.319 545 V C 1.215 177.311 176.094 0.004 0.000 1.427 545 V CA 0.633 62.927 62.300 -0.010 0.000 1.102 545 V CB -0.533 31.194 31.823 -0.160 0.000 1.020 545 V HN 0.184 nan 8.190 nan 0.000 0.456 546 S N -0.539 115.160 115.700 -0.001 0.000 2.847 546 S HA 0.328 4.593 4.470 -0.341 0.000 0.254 546 S C 0.606 175.236 174.600 0.051 0.000 1.039 546 S CA 0.415 58.619 58.200 0.008 0.000 1.113 546 S CB 0.254 63.425 63.200 -0.048 0.000 1.092 546 S HN 0.887 nan 8.310 nan 0.000 0.620 547 T N 0.113 114.708 114.554 0.069 0.000 2.906 547 T HA 0.699 4.844 4.350 -0.341 0.000 0.295 547 T C -3.442 171.414 174.700 0.260 0.000 1.061 547 T CA -2.143 60.011 62.100 0.091 0.000 1.000 547 T CB 2.130 70.956 68.868 -0.071 0.000 1.103 547 T HN -0.055 nan 8.240 nan 0.000 0.486 548 P HA 0.325 nan 4.420 nan 0.000 0.275 548 P C -1.449 175.833 177.300 -0.030 0.000 1.266 548 P CA -0.226 62.775 63.100 -0.164 0.000 0.793 548 P CB 0.506 31.776 31.700 -0.716 0.000 1.074 549 Y N -1.315 119.045 120.300 0.100 0.000 2.624 549 Y HA 0.465 5.033 4.550 0.031 0.000 0.334 549 Y C -0.217 175.954 175.900 0.451 0.000 1.155 549 Y CA 0.673 58.962 58.100 0.315 0.000 1.046 549 Y CB 1.351 39.909 38.460 0.164 0.000 1.316 549 Y HN 0.989 nan 8.280 nan 0.000 0.457 550 G N 1.008 109.254 108.800 -0.923 0.000 2.814 550 G HA2 0.007 3.762 3.960 -0.341 0.000 0.677 550 G HA3 0.007 3.762 3.960 -0.341 0.000 0.677 550 G C -2.108 172.796 174.900 0.006 0.000 1.429 550 G CA -0.549 44.268 45.100 -0.470 0.000 0.868 550 G HN 1.178 nan 8.290 nan 0.000 0.553 551 V N 2.002 121.932 119.914 0.026 0.000 2.334 551 V HA 0.429 4.344 4.120 -0.341 0.000 0.281 551 V C 1.650 177.849 176.094 0.174 0.000 1.016 551 V CA 0.344 62.734 62.300 0.150 0.000 0.832 551 V CB 1.151 33.016 31.823 0.071 0.000 0.999 551 V HN 1.009 nan 8.190 nan 0.000 0.439 552 R N 2.843 123.469 120.500 0.210 0.000 2.082 552 R HA -0.124 4.011 4.340 -0.341 0.000 0.234 552 R C 0.685 177.058 176.300 0.123 0.000 1.136 552 R CA 1.862 58.052 56.100 0.150 0.000 0.935 552 R CB 0.228 30.601 30.300 0.121 0.000 0.842 552 R HN 0.744 nan 8.270 nan 0.000 0.430 553 D N -0.901 119.579 120.400 0.134 0.000 2.462 553 D HA 0.190 4.625 4.640 -0.341 0.000 0.249 553 D C -2.070 174.308 176.300 0.130 0.000 1.117 553 D CA -2.353 51.712 54.000 0.108 0.000 0.900 553 D CB 1.643 42.492 40.800 0.081 0.000 1.039 553 D HN -0.027 nan 8.370 nan 0.000 0.516 554 P HA -0.155 nan 4.420 nan 0.000 0.215 554 P C 1.273 178.630 177.300 0.096 0.000 1.157 554 P CA 1.294 64.453 63.100 0.097 0.000 0.874 554 P CB 0.505 32.242 31.700 0.062 0.000 0.790 555 K N -0.608 119.838 120.400 0.076 0.000 2.020 555 K HA -0.167 3.949 4.320 -0.341 0.000 0.212 555 K C 2.162 178.813 176.600 0.084 0.000 1.050 555 K CA 1.793 58.120 56.287 0.067 0.000 0.929 555 K CB -0.781 31.750 32.500 0.052 0.000 0.714 555 K HN 0.037 nan 8.250 nan 0.000 0.443 556 A N 1.143 124.017 122.820 0.090 0.000 1.933 556 A HA -0.112 4.003 4.320 -0.341 0.000 0.218 556 A C 2.316 179.988 177.584 0.146 0.000 1.175 556 A CA 1.824 53.916 52.037 0.091 0.000 0.628 556 A CB -0.665 18.377 19.000 0.069 0.000 0.814 556 A HN 0.371 nan 8.150 nan 0.000 0.444 557 A N -0.602 122.348 122.820 0.217 0.000 1.933 557 A HA 0.008 4.123 4.320 -0.341 0.000 0.218 557 A C 2.206 180.024 177.584 0.390 0.000 1.175 557 A CA 1.767 54.034 52.037 0.383 0.000 0.628 557 A CB -0.804 18.453 19.000 0.428 0.000 0.814 557 A HN 0.374 nan 8.150 nan 0.000 0.444 558 V N 0.360 120.397 119.914 0.205 0.000 2.358 558 V HA -0.205 3.710 4.120 -0.341 0.000 0.246 558 V C 2.160 178.338 176.094 0.139 0.000 1.047 558 V CA 2.170 64.551 62.300 0.136 0.000 1.035 558 V CB -0.747 31.116 31.823 0.067 0.000 0.658 558 V HN 0.467 nan 8.190 nan 0.000 0.452 559 D N -0.182 120.289 120.400 0.119 0.000 2.149 559 D HA -0.193 4.242 4.640 -0.341 0.000 0.198 559 D C 2.357 178.723 176.300 0.109 0.000 0.990 559 D CA 1.275 55.328 54.000 0.089 0.000 0.839 559 D CB -0.178 40.660 40.800 0.063 0.000 0.948 559 D HN 0.522 nan 8.370 nan 0.000 0.460 560 Q N -0.426 119.465 119.800 0.152 0.000 2.170 560 Q HA -0.119 4.016 4.340 -0.341 0.000 0.203 560 Q C 2.084 178.244 176.000 0.267 0.000 0.976 560 Q CA 0.472 56.355 55.803 0.135 0.000 0.858 560 Q CB -0.027 28.737 28.738 0.044 0.000 0.907 560 Q HN 0.194 nan 8.270 nan 0.000 0.433 561 L N 0.767 122.221 121.223 0.386 0.000 2.109 561 L HA -0.116 4.019 4.340 -0.341 0.000 0.207 561 L C 2.248 179.216 176.870 0.163 0.000 1.086 561 L CA 1.607 56.647 54.840 0.333 0.000 0.760 561 L CB -0.389 41.739 42.059 0.115 0.000 0.910 561 L HN 0.032 nan 8.230 nan 0.000 0.437 562 R N -1.164 119.407 120.500 0.118 0.000 2.070 562 R HA -0.161 3.974 4.340 -0.341 0.000 0.233 562 R C 2.018 178.358 176.300 0.068 0.000 1.137 562 R CA 2.163 58.307 56.100 0.072 0.000 0.945 562 R CB -0.450 29.883 30.300 0.056 0.000 0.845 562 R HN 0.385 nan 8.270 nan 0.000 0.430 563 T N 0.580 115.175 114.554 0.069 0.000 2.788 563 T HA -0.107 4.038 4.350 -0.341 0.000 0.268 563 T C 1.764 176.500 174.700 0.060 0.000 1.044 563 T CA 1.258 63.387 62.100 0.048 0.000 1.139 563 T CB -0.244 68.642 68.868 0.030 0.000 0.867 563 T HN 0.444 nan 8.240 nan 0.000 0.454 564 A N 1.154 124.033 122.820 0.099 0.000 1.933 564 A HA -0.016 4.099 4.320 -0.341 0.000 0.218 564 A C 2.275 179.922 177.584 0.105 0.000 1.175 564 A CA 1.129 53.238 52.037 0.120 0.000 0.628 564 A CB -0.762 18.366 19.000 0.214 0.000 0.814 564 A HN 0.519 nan 8.150 nan 0.000 0.444 565 I N -0.311 120.313 120.570 0.091 0.000 2.226 565 I HA -0.307 3.658 4.170 -0.341 0.000 0.245 565 I C 2.979 179.129 176.117 0.055 0.000 1.100 565 I CA 1.119 62.459 61.300 0.067 0.000 1.374 565 I CB -0.331 37.698 38.000 0.049 0.000 1.057 565 I HN 0.377 nan 8.210 nan 0.000 0.413 566 A N 0.918 123.765 122.820 0.045 0.000 1.902 566 A HA -0.203 3.912 4.320 -0.341 0.000 0.217 566 A C 2.035 179.634 177.584 0.024 0.000 1.181 566 A CA 1.864 53.918 52.037 0.028 0.000 0.623 566 A CB -0.618 18.394 19.000 0.020 0.000 0.818 566 A HN 0.413 nan 8.150 nan 0.000 0.443 567 N N -0.184 118.535 118.700 0.033 0.000 2.188 567 N HA -0.091 4.444 4.740 -0.341 0.000 0.184 567 N C 1.711 177.244 175.510 0.038 0.000 1.018 567 N CA 1.846 54.908 53.050 0.021 0.000 0.858 567 N CB -0.851 37.654 38.487 0.030 0.000 0.989 567 N HN 0.496 nan 8.380 nan 0.000 0.426 568 T N 1.489 116.104 114.554 0.102 0.000 2.708 568 T HA -0.062 4.083 4.350 -0.341 0.000 0.266 568 T C 1.851 176.644 174.700 0.156 0.000 1.037 568 T CA 1.127 63.348 62.100 0.202 0.000 1.146 568 T CB -0.020 68.960 68.868 0.187 0.000 0.865 568 T HN 0.294 nan 8.240 nan 0.000 0.435 569 K N 0.609 121.057 120.400 0.079 0.000 2.097 569 K HA 0.001 4.117 4.320 -0.341 0.000 0.205 569 K C 2.566 179.164 176.600 -0.004 0.000 1.050 569 K CA 0.784 57.100 56.287 0.047 0.000 0.938 569 K CB -0.121 32.397 32.500 0.030 0.000 0.718 569 K HN 0.165 nan 8.250 nan 0.000 0.442 570 R N 1.653 122.136 120.500 -0.028 0.000 2.081 570 R HA -0.126 4.009 4.340 -0.341 0.000 0.235 570 R C 1.763 177.979 176.300 -0.141 0.000 1.131 570 R CA 1.570 57.632 56.100 -0.065 0.000 0.960 570 R CB 0.138 30.404 30.300 -0.056 0.000 0.856 570 R HN 0.072 nan 8.270 nan 0.000 0.436 571 K N -1.163 119.091 120.400 -0.243 0.000 2.076 571 K HA -0.089 4.026 4.320 -0.341 0.000 0.204 571 K C 1.089 177.247 176.600 -0.737 0.000 1.051 571 K CA 1.234 57.183 56.287 -0.563 0.000 0.949 571 K CB 0.208 32.181 32.500 -0.877 0.000 0.726 571 K HN 0.299 nan 8.250 nan 0.000 0.443 572 Y N -1.086 119.200 120.300 -0.024 0.000 2.500 572 Y HA 0.247 4.592 4.550 -0.341 0.000 0.246 572 Y C 1.205 177.084 175.900 -0.034 0.000 1.146 572 Y CA -0.034 58.042 58.100 -0.039 0.000 1.230 572 Y CB 1.358 39.788 38.460 -0.051 0.000 1.214 572 Y HN 0.192 nan 8.280 nan 0.000 0.526 573 G N 0.697 109.531 108.800 0.057 0.000 2.184 573 G HA2 -0.069 3.686 3.960 -0.341 0.000 0.264 573 G HA3 -0.069 3.686 3.960 -0.341 0.000 0.264 573 G C 0.131 175.057 174.900 0.044 0.000 0.975 573 G CA 0.224 45.345 45.100 0.035 0.000 0.642 573 G HN 0.872 nan 8.290 nan 0.000 0.536 574 A N -1.314 121.550 122.820 0.073 0.000 2.583 574 A HA 0.702 4.818 4.320 -0.341 0.000 0.292 574 A C 0.596 178.215 177.584 0.058 0.000 1.045 574 A CA -0.010 52.055 52.037 0.047 0.000 0.672 574 A CB 0.003 19.018 19.000 0.024 0.000 1.283 574 A HN 1.411 nan 8.150 nan 0.000 0.419 575 I N -2.021 118.565 120.570 0.028 0.000 3.728 575 I HA 0.273 4.238 4.170 -0.341 0.000 0.307 575 I C 0.312 176.414 176.117 -0.025 0.000 1.276 575 I CA 0.858 62.169 61.300 0.018 0.000 1.285 575 I CB 0.146 38.153 38.000 0.011 0.000 1.038 575 I HN 0.440 nan 8.210 nan 0.000 0.445 576 D N 1.472 121.851 120.400 -0.034 0.000 2.819 576 D HA 0.117 4.553 4.640 -0.341 0.000 0.326 576 D C 0.234 176.493 176.300 -0.069 0.000 1.408 576 D CA -0.386 53.575 54.000 -0.066 0.000 0.811 576 D CB -0.096 40.672 40.800 -0.054 0.000 1.148 576 D HN 0.315 nan 8.370 nan 0.000 0.457 577 R N 1.125 121.579 120.500 -0.077 0.000 2.490 577 R HA 0.346 4.481 4.340 -0.341 0.000 0.280 577 R C -2.431 173.796 176.300 -0.122 0.000 1.077 577 R CA -1.225 54.824 56.100 -0.086 0.000 1.065 577 R CB 0.490 30.744 30.300 -0.077 0.000 1.003 577 R HN -0.138 nan 8.270 nan 0.000 0.470 578 P HA -0.073 nan 4.420 nan 0.000 0.264 578 P C -0.199 177.034 177.300 -0.112 0.000 1.193 578 P CA 0.181 63.236 63.100 -0.075 0.000 0.763 578 P CB 0.238 31.905 31.700 -0.055 0.000 0.810 579 F N 4.378 124.190 119.950 -0.230 0.000 2.063 579 F HA -0.211 4.115 4.527 -0.337 0.000 0.298 579 F C 2.129 177.726 175.800 -0.338 0.000 1.109 579 F CA 2.620 60.442 58.000 -0.298 0.000 1.212 579 F CB -0.846 38.038 39.000 -0.195 0.000 0.973 579 F HN 0.389 nan 8.300 nan 0.000 0.480 580 G N -0.948 107.789 108.800 -0.105 0.000 2.679 580 G HA2 -0.214 3.542 3.960 -0.341 0.000 0.212 580 G HA3 -0.214 3.542 3.960 -0.341 0.000 0.212 580 G C 1.399 176.161 174.900 -0.230 0.000 1.137 580 G CA 0.754 45.737 45.100 -0.195 0.000 0.787 580 G HN 0.499 nan 8.290 nan 0.000 0.534 581 D N 0.501 120.772 120.400 -0.215 0.000 2.216 581 D HA 0.085 4.521 4.640 -0.341 0.000 0.208 581 D C 2.529 178.703 176.300 -0.211 0.000 0.960 581 D CA 0.854 54.756 54.000 -0.164 0.000 0.861 581 D CB 0.205 40.938 40.800 -0.112 0.000 0.985 581 D HN 0.231 nan 8.370 nan 0.000 0.493 582 A N 0.315 122.939 122.820 -0.326 0.000 1.878 582 A HA 0.086 4.201 4.320 -0.341 0.000 0.213 582 A C 1.385 178.683 177.584 -0.476 0.000 1.192 582 A CA 0.348 52.196 52.037 -0.316 0.000 0.619 582 A CB -0.115 18.633 19.000 -0.421 0.000 0.837 582 A HN 0.148 nan 8.150 nan 0.000 0.446 583 S N 2.103 117.275 115.700 -0.881 0.000 2.416 583 S HA 0.436 4.701 4.470 -0.341 0.000 0.302 583 S C -0.190 173.964 174.600 -0.743 0.000 1.120 583 S CA -0.400 57.000 58.200 -1.334 0.000 1.067 583 S CB 0.030 61.675 63.200 -2.592 0.000 1.057 583 S HN 0.361 nan 8.310 nan 0.000 0.518 584 R N 2.220 122.532 120.500 -0.313 0.000 2.803 584 R HA 0.512 4.647 4.340 -0.341 0.000 0.276 584 R C -0.583 175.826 176.300 0.180 0.000 0.978 584 R CA -0.636 55.435 56.100 -0.049 0.000 0.939 584 R CB 1.183 31.465 30.300 -0.031 0.000 1.179 584 R HN 0.513 nan 8.270 nan 0.000 0.472 585 M N 3.336 123.041 119.600 0.174 0.000 2.072 585 M HA 0.486 4.761 4.480 -0.341 0.000 0.331 585 M C -0.516 175.890 176.300 0.178 0.000 1.004 585 M CA -0.247 55.199 55.300 0.243 0.000 0.952 585 M CB 1.046 33.795 32.600 0.247 0.000 1.511 585 M HN 0.331 nan 8.290 nan 0.000 0.422 586 I N 5.389 126.075 120.570 0.193 0.000 2.410 586 I HA 0.510 4.475 4.170 -0.341 0.000 0.286 586 I C -1.035 175.181 176.117 0.165 0.000 1.009 586 I CA -0.537 60.851 61.300 0.147 0.000 1.111 586 I CB 1.580 39.654 38.000 0.124 0.000 1.262 586 I HN 0.608 nan 8.210 nan 0.000 0.443 587 L N 6.827 128.122 121.223 0.121 0.000 2.439 587 L HA 0.530 4.665 4.340 -0.341 0.000 0.270 587 L C 0.002 176.972 176.870 0.166 0.000 0.972 587 L CA -0.549 54.366 54.840 0.124 0.000 0.836 587 L CB 1.524 43.493 42.059 -0.149 0.000 1.255 587 L HN 0.676 nan 8.230 nan 0.000 0.404 588 N N 2.160 121.009 118.700 0.248 0.000 1.222 588 N HA -0.283 4.252 4.740 -0.341 0.000 0.134 588 N C 0.567 176.143 175.510 0.110 0.000 0.787 588 N CA 1.863 55.020 53.050 0.177 0.000 0.929 588 N CB -0.565 38.035 38.487 0.190 0.000 1.170 588 N HN 0.960 nan 8.380 nan 0.000 0.541 589 D N 1.297 121.747 120.400 0.083 0.000 2.340 589 D HA 0.070 4.505 4.640 -0.341 0.000 0.220 589 D C 0.278 176.610 176.300 0.053 0.000 1.039 589 D CA 0.287 54.322 54.000 0.058 0.000 0.866 589 D CB -0.127 40.699 40.800 0.043 0.000 0.913 589 D HN 0.237 nan 8.370 nan 0.000 0.523 590 V N 2.046 121.997 119.914 0.060 0.000 2.432 590 V HA 0.162 4.077 4.120 -0.341 0.000 0.271 590 V C 0.154 176.282 176.094 0.056 0.000 1.046 590 V CA -0.611 61.719 62.300 0.050 0.000 0.945 590 V CB 0.740 32.589 31.823 0.045 0.000 0.992 590 V HN 0.160 nan 8.190 nan 0.000 0.471 591 N N 4.931 123.659 118.700 0.046 0.000 2.531 591 N HA 0.453 4.988 4.740 -0.341 0.000 0.268 591 N C -0.961 174.570 175.510 0.034 0.000 1.023 591 N CA -0.262 52.816 53.050 0.046 0.000 0.896 591 N CB 1.948 40.457 38.487 0.036 0.000 1.233 591 N HN 0.532 nan 8.380 nan 0.000 0.512 592 V N 1.648 121.586 119.914 0.041 0.000 2.815 592 V HA 0.802 4.717 4.120 -0.341 0.000 0.314 592 V C -2.508 173.595 176.094 0.014 0.000 1.064 592 V CA -2.306 60.010 62.300 0.027 0.000 0.952 592 V CB 1.889 33.731 31.823 0.031 0.000 1.020 592 V HN 0.418 nan 8.190 nan 0.000 0.439 593 P HA 0.250 nan 4.420 nan 0.000 0.271 593 P C 0.199 177.486 177.300 -0.021 0.000 1.220 593 P CA 0.657 63.737 63.100 -0.032 0.000 0.768 593 P CB 1.012 32.700 31.700 -0.019 0.000 0.848 594 G N 1.928 110.687 108.800 -0.069 0.000 2.477 594 G HA2 0.613 4.368 3.960 -0.341 0.000 0.304 594 G HA3 0.613 4.368 3.960 -0.341 0.000 0.304 594 G C -0.970 173.989 174.900 0.099 0.000 1.175 594 G CA -0.414 44.700 45.100 0.024 0.000 0.907 594 G HN 0.721 nan 8.290 nan 0.000 0.509 595 A N -0.690 122.239 122.820 0.181 0.000 2.593 595 A HA 1.035 5.150 4.320 -0.341 0.000 0.290 595 A C 0.269 178.095 177.584 0.403 0.000 1.126 595 A CA 0.379 52.618 52.037 0.337 0.000 0.695 595 A CB 0.903 20.049 19.000 0.243 0.000 1.290 595 A HN 2.826 nan 8.150 nan 0.000 0.414 596 A N -1.631 121.447 122.820 0.429 0.000 6.560 596 A HA 0.441 4.556 4.320 -0.341 0.000 0.337 596 A C 1.036 178.908 177.584 0.480 0.000 1.915 596 A CA 1.280 53.624 52.037 0.511 0.000 0.634 596 A CB -1.756 17.654 19.000 0.684 0.000 1.742 596 A HN 3.082 nan 8.150 nan 0.000 0.412 597 G N -1.755 107.158 108.800 0.189 0.000 2.696 597 G HA2 0.593 4.348 3.960 -0.341 0.000 0.151 597 G HA3 0.593 4.348 3.960 -0.341 0.000 0.151 597 G C -0.592 174.166 174.900 -0.238 0.000 1.197 597 G CA -0.024 45.045 45.100 -0.053 0.000 1.053 597 G HN 1.454 nan 8.290 nan 0.000 0.546 598 Y N 2.042 122.267 120.300 -0.123 0.000 2.729 598 Y HA 0.267 4.611 4.550 -0.344 0.000 0.331 598 Y C 1.888 177.781 175.900 -0.012 0.000 1.208 598 Y CA 0.639 58.708 58.100 -0.052 0.000 1.521 598 Y CB 1.079 39.507 38.460 -0.052 0.000 1.233 598 Y HN 0.545 nan 8.280 nan 0.000 0.539 599 G N 2.707 111.603 108.800 0.160 0.000 2.422 599 G HA2 -0.291 3.464 3.960 -0.341 0.000 0.218 599 G HA3 -0.291 3.464 3.960 -0.341 0.000 0.218 599 G C 1.424 176.446 174.900 0.203 0.000 1.146 599 G CA 0.686 45.870 45.100 0.141 0.000 0.769 599 G HN 0.563 nan 8.290 nan 0.000 0.547 600 N N 0.206 119.051 118.700 0.241 0.000 2.520 600 N HA 0.032 4.567 4.740 -0.341 0.000 0.185 600 N C 1.853 177.515 175.510 0.253 0.000 1.068 600 N CA 0.340 53.545 53.050 0.258 0.000 0.911 600 N CB -0.046 38.641 38.487 0.333 0.000 0.961 600 N HN 0.316 nan 8.380 nan 0.000 0.446 601 L N -1.481 119.865 121.223 0.205 0.000 2.567 601 L HA 0.211 4.346 4.340 -0.341 0.000 0.225 601 L C 1.346 178.427 176.870 0.352 0.000 1.119 601 L CA 0.373 55.376 54.840 0.272 0.000 0.871 601 L CB 0.107 42.325 42.059 0.264 0.000 1.036 601 L HN 0.240 nan 8.230 nan 0.000 0.459 602 G N -0.921 108.060 108.800 0.302 0.000 2.284 602 G HA2 -0.246 3.509 3.960 -0.341 0.000 0.201 602 G HA3 -0.246 3.509 3.960 -0.341 0.000 0.201 602 G C 0.446 175.527 174.900 0.302 0.000 0.998 602 G CA 0.108 45.373 45.100 0.275 0.000 0.651 602 G HN 0.189 nan 8.290 nan 0.000 0.489 603 S N 0.381 116.298 115.700 0.362 0.000 2.546 603 S HA 0.387 4.652 4.470 -0.341 0.000 0.290 603 S C 1.153 175.912 174.600 0.265 0.000 1.262 603 S CA 0.359 58.775 58.200 0.360 0.000 1.083 603 S CB 0.107 63.500 63.200 0.322 0.000 0.859 603 S HN 0.631 nan 8.310 nan 0.000 0.495 604 F N 5.556 125.581 119.950 0.125 0.000 2.098 604 F HA 0.197 4.518 4.527 -0.343 0.000 0.294 604 F C 1.493 177.292 175.800 -0.000 0.000 1.107 604 F CA 0.984 59.012 58.000 0.047 0.000 1.234 604 F CB -0.107 38.903 39.000 0.018 0.000 1.002 604 F HN 0.536 nan 8.300 nan 0.000 0.472 605 R N 1.456 122.019 120.500 0.105 0.000 2.370 605 R HA 0.305 4.440 4.340 -0.341 0.000 0.309 605 R C -1.398 174.813 176.300 -0.149 0.000 1.059 605 R CA -0.115 55.958 56.100 -0.045 0.000 0.981 605 R CB 0.390 30.786 30.300 0.161 0.000 0.972 605 R HN 0.048 nan 8.270 nan 0.000 0.437 606 V N 6.398 125.993 119.914 -0.532 0.000 2.483 606 V HA 0.438 4.353 4.120 -0.341 0.000 0.295 606 V C -0.718 174.728 176.094 -1.081 0.000 1.035 606 V CA -0.395 61.479 62.300 -0.711 0.000 0.896 606 V CB 1.454 32.645 31.823 -1.054 0.000 0.986 606 V HN 0.636 nan 8.190 nan 0.000 0.447 607 F N 1.519 121.105 119.950 -0.606 0.000 2.902 607 F HA 0.283 4.604 4.527 -0.344 0.000 0.368 607 F C 0.501 175.565 175.800 -1.227 0.000 1.202 607 F CA -0.451 56.944 58.000 -1.009 0.000 1.109 607 F CB 1.761 40.058 39.000 -1.171 0.000 1.418 607 F HN 0.331 nan 8.300 nan 0.000 0.527 608 T N 2.110 116.214 114.554 -0.751 0.000 2.987 608 T HA 0.050 4.195 4.350 -0.341 0.000 0.288 608 T C -0.135 174.260 174.700 -0.508 0.000 0.981 608 T CA -0.275 61.547 62.100 -0.463 0.000 1.031 608 T CB -0.423 68.457 68.868 0.019 0.000 0.976 608 T HN 0.303 nan 8.240 nan 0.000 0.612 609 W N 2.842 123.886 121.300 -0.427 0.000 2.170 609 W HA 0.275 4.728 4.660 -0.345 0.000 0.342 609 W C 1.280 177.823 176.519 0.040 0.000 1.294 609 W CA -0.776 56.444 57.345 -0.208 0.000 1.246 609 W CB 0.307 29.617 29.460 -0.250 0.000 1.156 609 W HN 0.547 nan 8.180 nan 0.000 0.572 610 S N 1.079 116.939 115.700 0.266 0.000 2.661 610 S HA 0.252 4.517 4.470 -0.341 0.000 0.265 610 S C -0.175 174.553 174.600 0.214 0.000 1.225 610 S CA -1.071 57.244 58.200 0.193 0.000 0.986 610 S CB 0.744 64.017 63.200 0.122 0.000 1.008 610 S HN 0.403 nan 8.310 nan 0.000 0.565 611 D N 2.765 123.246 120.400 0.135 0.000 2.372 611 D HA 0.320 4.755 4.640 -0.341 0.000 0.243 611 D C -1.947 174.389 176.300 0.060 0.000 1.121 611 D CA -0.882 53.172 54.000 0.091 0.000 0.898 611 D CB 0.368 41.188 40.800 0.034 0.000 1.202 611 D HN 0.416 nan 8.370 nan 0.000 0.428 612 P HA 0.033 nan 4.420 nan 0.000 0.272 612 P C -0.345 176.932 177.300 -0.039 0.000 1.230 612 P CA -0.380 62.706 63.100 -0.023 0.000 0.788 612 P CB 0.862 32.461 31.700 -0.168 0.000 0.949 613 D N 0.399 120.787 120.400 -0.019 0.000 2.469 613 D HA -0.009 4.426 4.640 -0.341 0.000 0.278 613 D C 1.187 177.463 176.300 -0.039 0.000 1.231 613 D CA -0.309 53.681 54.000 -0.018 0.000 1.075 613 D CB -0.146 40.656 40.800 0.003 0.000 1.121 613 D HN 0.370 nan 8.370 nan 0.000 0.571 614 E N -0.445 119.738 120.200 -0.028 0.000 2.510 614 E HA -0.174 3.971 4.350 -0.341 0.000 0.202 614 E C 0.092 176.673 176.600 -0.031 0.000 1.072 614 E CA 0.611 56.991 56.400 -0.034 0.000 0.883 614 E CB -0.592 29.094 29.700 -0.023 0.000 0.818 614 E HN 0.363 nan 8.360 nan 0.000 0.548 615 N N 0.331 119.018 118.700 -0.022 0.000 2.205 615 N HA 0.103 4.638 4.740 -0.341 0.000 0.201 615 N C 0.810 176.316 175.510 -0.006 0.000 1.128 615 N CA 0.736 53.778 53.050 -0.013 0.000 0.867 615 N CB 1.109 39.594 38.487 -0.004 0.000 0.996 615 N HN 0.415 nan 8.380 nan 0.000 0.503 616 G N 0.442 109.226 108.800 -0.026 0.000 2.143 616 G HA2 -0.259 3.497 3.960 -0.341 0.000 0.249 616 G HA3 -0.259 3.497 3.960 -0.341 0.000 0.249 616 G C -0.030 174.923 174.900 0.088 0.000 0.981 616 G CA 0.243 45.344 45.100 0.002 0.000 0.665 616 G HN 0.171 nan 8.290 nan 0.000 0.528 617 V N 1.577 121.505 119.914 0.024 0.000 2.509 617 V HA 0.780 4.695 4.120 -0.341 0.000 0.284 617 V C 0.705 176.813 176.094 0.023 0.000 1.047 617 V CA 0.056 62.359 62.300 0.006 0.000 0.952 617 V CB 1.400 33.222 31.823 -0.003 0.000 0.988 617 V HN 0.751 nan 8.190 nan 0.000 0.469 618 R N 2.049 122.552 120.500 0.005 0.000 2.808 618 R HA 0.892 5.027 4.340 -0.341 0.000 0.272 618 R C -0.852 175.543 176.300 0.158 0.000 0.995 618 R CA -0.693 55.456 56.100 0.081 0.000 0.917 618 R CB 2.253 32.622 30.300 0.116 0.000 1.217 618 R HN 0.664 nan 8.270 nan 0.000 0.471 619 T N -2.231 112.479 114.554 0.261 0.000 2.838 619 T HA 0.581 4.727 4.350 -0.341 0.000 0.292 619 T C -2.937 171.830 174.700 0.112 0.000 1.113 619 T CA -2.461 59.825 62.100 0.309 0.000 1.008 619 T CB 2.088 71.068 68.868 0.186 0.000 1.259 619 T HN 0.380 nan 8.240 nan 0.000 0.520 620 P HA 0.263 nan 4.420 nan 0.000 0.276 620 P C 1.020 177.945 177.300 -0.624 0.000 1.235 620 P CA -0.554 62.003 63.100 -0.905 0.000 0.772 620 P CB 0.905 31.490 31.700 -1.858 0.000 0.871 621 V N 0.294 119.972 119.914 -0.393 0.000 3.565 621 V HA 0.237 4.152 4.120 -0.341 0.000 0.260 621 V C 0.514 176.562 176.094 -0.078 0.000 1.231 621 V CA 0.917 63.146 62.300 -0.119 0.000 1.100 621 V CB -0.796 31.026 31.823 -0.002 0.000 0.807 621 V HN 0.630 nan 8.190 nan 0.000 0.454 622 H N -0.979 117.806 119.070 -0.476 0.000 3.003 622 H HA 0.614 4.965 4.556 -0.342 0.000 0.327 622 H C -0.262 174.744 175.328 -0.537 0.000 1.353 622 H CA 0.369 56.239 56.048 -0.297 0.000 1.142 622 H CB 1.623 31.335 29.762 -0.085 0.000 1.864 622 H HN 0.565 nan 8.280 nan 0.000 0.529 623 G N 1.807 109.990 108.800 -1.029 0.000 2.240 623 G HA2 -0.063 3.692 3.960 -0.341 0.000 0.199 623 G HA3 -0.063 3.692 3.960 -0.341 0.000 0.199 623 G C -1.206 173.421 174.900 -0.455 0.000 1.342 623 G CA -0.481 44.044 45.100 -0.959 0.000 1.145 623 G HN 0.549 nan 8.290 nan 0.000 0.477 624 E N 1.358 121.194 120.200 -0.607 0.000 2.465 624 E HA 0.309 4.454 4.350 -0.341 0.000 0.260 624 E C 1.126 177.643 176.600 -0.138 0.000 0.980 624 E CA 1.132 57.324 56.400 -0.347 0.000 0.927 624 E CB 1.193 30.559 29.700 -0.558 0.000 0.934 624 E HN 0.854 nan 8.360 nan 0.000 0.459 625 T N -0.587 113.805 114.554 -0.270 0.000 3.413 625 T HA 0.055 4.200 4.350 -0.341 0.000 0.187 625 T C 0.230 174.701 174.700 -0.381 0.000 0.961 625 T CA -0.611 61.178 62.100 -0.519 0.000 1.085 625 T CB 0.074 68.783 68.868 -0.264 0.000 1.345 625 T HN 0.588 nan 8.240 nan 0.000 0.326 626 W N 3.373 124.368 121.300 -0.508 0.000 2.316 626 W HA 0.629 5.085 4.660 -0.340 0.000 0.308 626 W C -2.000 174.298 176.519 -0.368 0.000 1.106 626 W CA -0.824 56.254 57.345 -0.444 0.000 1.262 626 W CB 1.245 30.332 29.460 -0.623 0.000 1.233 626 W HN 0.207 nan 8.180 nan 0.000 0.447 627 V N 6.310 125.656 119.914 -0.946 0.000 2.444 627 V HA 0.731 4.646 4.120 -0.341 0.000 0.294 627 V C -0.120 175.371 176.094 -1.005 0.000 1.022 627 V CA -0.682 61.156 62.300 -0.770 0.000 0.850 627 V CB 0.898 32.583 31.823 -0.229 0.000 0.992 627 V HN 0.640 nan 8.190 nan 0.000 0.426 628 A N 5.711 128.015 122.820 -0.859 0.000 2.455 628 A HA 0.972 5.087 4.320 -0.341 0.000 0.300 628 A C -1.164 176.237 177.584 -0.306 0.000 1.040 628 A CA -0.604 51.083 52.037 -0.583 0.000 0.697 628 A CB 1.755 20.485 19.000 -0.449 0.000 1.265 628 A HN 0.704 nan 8.150 nan 0.000 0.407 629 M N 2.256 121.702 119.600 -0.257 0.000 2.190 629 M HA 0.588 4.863 4.480 -0.341 0.000 0.312 629 M C -1.099 175.083 176.300 -0.197 0.000 0.990 629 M CA 0.076 55.319 55.300 -0.095 0.000 0.927 629 M CB 1.343 33.908 32.600 -0.058 0.000 1.571 629 M HN 0.502 nan 8.290 nan 0.000 0.427 630 I N 1.595 121.991 120.570 -0.288 0.000 2.433 630 I HA 0.436 4.401 4.170 -0.341 0.000 0.292 630 I C -0.270 175.492 176.117 -0.590 0.000 1.001 630 I CA -0.524 60.395 61.300 -0.634 0.000 1.119 630 I CB 1.955 39.259 38.000 -1.160 0.000 1.289 630 I HN 0.639 nan 8.210 nan 0.000 0.438 631 E N 5.379 125.245 120.200 -0.557 0.000 2.145 631 E HA 0.373 4.518 4.350 -0.341 0.000 0.270 631 E C -1.158 175.151 176.600 -0.485 0.000 0.906 631 E CA -0.510 55.650 56.400 -0.400 0.000 0.761 631 E CB 0.717 30.282 29.700 -0.225 0.000 1.116 631 E HN 0.460 nan 8.360 nan 0.000 0.408 632 F N 3.952 123.814 119.950 -0.147 0.000 2.733 632 F HA 0.119 4.441 4.527 -0.342 0.000 0.344 632 F C 0.771 176.528 175.800 -0.071 0.000 1.179 632 F CA -0.345 57.593 58.000 -0.103 0.000 1.316 632 F CB -0.104 38.833 39.000 -0.106 0.000 1.577 632 F HN 0.310 nan 8.300 nan 0.000 0.591 633 S N -1.278 114.423 115.700 0.002 0.000 2.646 633 S HA 0.538 4.804 4.470 -0.341 0.000 0.273 633 S C 0.160 174.778 174.600 0.029 0.000 1.168 633 S CA -0.756 57.450 58.200 0.010 0.000 1.013 633 S CB 1.092 64.277 63.200 -0.025 0.000 1.098 633 S HN 0.145 nan 8.310 nan 0.000 0.544 634 T N 2.882 117.450 114.554 0.023 0.000 2.934 634 T HA 0.507 4.652 4.350 -0.341 0.000 0.328 634 T C -2.339 172.373 174.700 0.020 0.000 1.068 634 T CA -0.833 61.287 62.100 0.033 0.000 1.018 634 T CB 0.947 69.838 68.868 0.038 0.000 1.009 634 T HN 0.606 nan 8.240 nan 0.000 0.471 635 P HA 0.394 nan 4.420 nan 0.000 0.276 635 P C 0.208 177.502 177.300 -0.010 0.000 1.261 635 P CA -0.594 62.517 63.100 0.019 0.000 0.800 635 P CB 0.661 32.370 31.700 0.016 0.000 1.066 636 V N -1.012 118.891 119.914 -0.018 0.000 3.096 636 V HA 0.349 4.264 4.120 -0.341 0.000 0.306 636 V C 0.326 176.331 176.094 -0.149 0.000 1.088 636 V CA -0.409 61.825 62.300 -0.109 0.000 1.129 636 V CB 0.087 31.809 31.823 -0.168 0.000 1.014 636 V HN 0.672 nan 8.190 nan 0.000 0.486 637 R N 2.243 122.614 120.500 -0.215 0.000 2.561 637 R HA 0.775 4.910 4.340 -0.341 0.000 0.297 637 R C -0.824 175.306 176.300 -0.284 0.000 0.969 637 R CA 0.014 56.001 56.100 -0.189 0.000 0.879 637 R CB 1.743 32.004 30.300 -0.065 0.000 1.178 637 R HN 1.272 nan 8.270 nan 0.000 0.445 638 A N 3.616 126.222 122.820 -0.356 0.000 2.486 638 A HA 0.640 4.756 4.320 -0.341 0.000 0.300 638 A C -1.998 175.330 177.584 -0.428 0.000 1.048 638 A CA -0.527 51.277 52.037 -0.389 0.000 0.696 638 A CB 1.152 19.784 19.000 -0.613 0.000 1.278 638 A HN 0.650 nan 8.150 nan 0.000 0.405 639 Y N 0.028 120.207 120.300 -0.200 0.000 2.536 639 Y HA 0.773 5.118 4.550 -0.341 0.000 0.347 639 Y C 0.758 176.588 175.900 -0.117 0.000 1.000 639 Y CA 0.119 58.154 58.100 -0.107 0.000 1.051 639 Y CB 2.925 41.315 38.460 -0.116 0.000 1.259 639 Y HN 1.194 nan 8.280 nan 0.000 0.468 640 G N 1.203 110.112 108.800 0.181 0.000 2.559 640 G HA2 0.695 4.450 3.960 -0.341 0.000 0.291 640 G HA3 0.695 4.450 3.960 -0.341 0.000 0.291 640 G C -2.384 172.588 174.900 0.120 0.000 1.424 640 G CA -0.835 44.292 45.100 0.047 0.000 0.786 640 G HN 0.538 nan 8.290 nan 0.000 0.485 641 L N -0.505 120.665 121.223 -0.089 0.000 2.582 641 L HA 0.643 4.778 4.340 -0.341 0.000 0.257 641 L C -1.272 175.545 176.870 -0.087 0.000 0.974 641 L CA -0.846 53.916 54.840 -0.130 0.000 0.851 641 L CB 2.655 44.503 42.059 -0.352 0.000 1.424 641 L HN 0.608 nan 8.230 nan 0.000 0.412 642 M N 0.691 120.280 119.600 -0.018 0.000 2.046 642 M HA 0.366 4.641 4.480 -0.341 0.000 0.309 642 M C 0.584 176.716 176.300 -0.280 0.000 0.935 642 M CA 0.108 55.392 55.300 -0.027 0.000 0.915 642 M CB 1.531 34.233 32.600 0.171 0.000 1.474 642 M HN 0.552 nan 8.290 nan 0.000 0.415 643 S N 3.338 118.709 115.700 -0.549 0.000 2.380 643 S HA -0.213 4.052 4.470 -0.341 0.000 0.229 643 S C 0.758 174.960 174.600 -0.662 0.000 1.050 643 S CA 2.397 60.173 58.200 -0.707 0.000 1.100 643 S CB -0.632 61.857 63.200 -1.185 0.000 0.984 643 S HN 0.812 nan 8.310 nan 0.000 0.434 644 Y N 1.373 121.346 120.300 -0.545 0.000 2.676 644 Y HA 0.579 4.924 4.550 -0.341 0.000 0.331 644 Y C 1.056 176.836 175.900 -0.200 0.000 1.128 644 Y CA -1.187 56.632 58.100 -0.469 0.000 1.360 644 Y CB -1.316 36.911 38.460 -0.388 0.000 1.176 644 Y HN 0.294 nan 8.280 nan 0.000 0.518 645 G N 1.499 110.355 108.800 0.094 0.000 2.750 645 G HA2 -0.381 3.374 3.960 -0.341 0.000 0.228 645 G HA3 -0.381 3.374 3.960 -0.341 0.000 0.228 645 G C 0.037 175.160 174.900 0.371 0.000 1.367 645 G CA 0.151 45.388 45.100 0.228 0.000 0.871 645 G HN 0.483 nan 8.290 nan 0.000 0.560 646 N N -0.453 118.474 118.700 0.379 0.000 2.203 646 N HA 0.418 4.954 4.740 -0.341 0.000 0.207 646 N C 0.080 175.872 175.510 0.471 0.000 1.130 646 N CA 1.094 54.406 53.050 0.438 0.000 0.861 646 N CB 0.469 39.126 38.487 0.283 0.000 1.005 646 N HN 0.829 nan 8.380 nan 0.000 0.507 647 S N -0.973 114.908 115.700 0.301 0.000 2.537 647 S HA 0.481 4.746 4.470 -0.341 0.000 0.270 647 S C -0.286 174.335 174.600 0.035 0.000 1.142 647 S CA -0.641 57.481 58.200 -0.130 0.000 0.870 647 S CB 1.342 64.516 63.200 -0.043 0.000 1.112 647 S HN 0.222 nan 8.310 nan 0.000 0.466 648 R N 1.110 121.480 120.500 -0.217 0.000 2.549 648 R HA 0.245 4.380 4.340 -0.341 0.000 0.361 648 R C -0.326 175.849 176.300 -0.209 0.000 0.969 648 R CA -0.261 55.781 56.100 -0.095 0.000 1.158 648 R CB 0.256 30.601 30.300 0.075 0.000 1.456 648 R HN 0.567 nan 8.270 nan 0.000 0.540 649 Q N 1.594 121.249 119.800 -0.242 0.000 2.395 649 Q HA 0.099 4.234 4.340 -0.341 0.000 0.271 649 Q C -2.310 173.583 176.000 -0.177 0.000 1.026 649 Q CA -1.425 54.255 55.803 -0.206 0.000 0.900 649 Q CB 0.504 29.115 28.738 -0.211 0.000 1.266 649 Q HN 0.069 nan 8.270 nan 0.000 0.430 650 P HA -0.020 nan 4.420 nan 0.000 0.264 650 P C 0.423 177.656 177.300 -0.111 0.000 1.183 650 P CA 0.992 64.008 63.100 -0.139 0.000 0.763 650 P CB 0.343 31.975 31.700 -0.114 0.000 0.807 651 G N 1.458 110.197 108.800 -0.101 0.000 2.155 651 G HA2 -0.259 3.496 3.960 -0.341 0.000 0.257 651 G HA3 -0.259 3.496 3.960 -0.341 0.000 0.257 651 G C 0.510 175.371 174.900 -0.066 0.000 0.983 651 G CA 0.377 45.434 45.100 -0.072 0.000 0.676 651 G HN 0.768 nan 8.290 nan 0.000 0.528 652 T N 0.059 114.572 114.554 -0.069 0.000 2.918 652 T HA 0.470 4.616 4.350 -0.341 0.000 0.302 652 T C 1.919 176.595 174.700 -0.041 0.000 1.045 652 T CA 1.271 63.344 62.100 -0.044 0.000 1.114 652 T CB 0.741 69.603 68.868 -0.010 0.000 0.965 652 T HN 0.898 nan 8.240 nan 0.000 0.540 653 T N 0.931 115.392 114.554 -0.156 0.000 3.086 653 T HA 0.135 4.280 4.350 -0.341 0.000 0.250 653 T C 0.686 175.188 174.700 -0.330 0.000 1.074 653 T CA 0.161 62.113 62.100 -0.247 0.000 0.988 653 T CB -0.147 68.506 68.868 -0.359 0.000 0.988 653 T HN 0.723 nan 8.240 nan 0.000 0.530 654 H N -0.010 119.130 119.070 0.116 0.000 2.490 654 H HA 0.299 4.650 4.556 -0.342 0.000 0.285 654 H C -0.043 175.426 175.328 0.234 0.000 1.127 654 H CA -0.516 55.635 56.048 0.171 0.000 0.993 654 H CB 0.131 29.993 29.762 0.167 0.000 1.653 654 H HN 0.445 nan 8.280 nan 0.000 0.557 655 Y N 1.399 121.778 120.300 0.131 0.000 2.594 655 Y HA 0.024 4.369 4.550 -0.341 0.000 0.283 655 Y C 1.811 177.786 175.900 0.125 0.000 1.140 655 Y CA 0.896 59.072 58.100 0.126 0.000 1.261 655 Y CB 0.609 39.110 38.460 0.068 0.000 1.358 655 Y HN 0.095 nan 8.280 nan 0.000 0.513 656 S N -0.630 115.092 115.700 0.036 0.000 2.602 656 S HA 0.103 4.368 4.470 -0.341 0.000 0.240 656 S C 0.439 175.062 174.600 0.038 0.000 0.992 656 S CA 0.058 58.227 58.200 -0.051 0.000 0.971 656 S CB -0.320 62.893 63.200 0.023 0.000 0.855 656 S HN 0.537 nan 8.310 nan 0.000 0.481 657 D N 1.089 121.557 120.400 0.112 0.000 2.328 657 D HA 0.028 4.463 4.640 -0.341 0.000 0.226 657 D C 1.167 177.634 176.300 0.278 0.000 1.066 657 D CA 0.193 54.303 54.000 0.184 0.000 0.861 657 D CB -0.098 40.827 40.800 0.208 0.000 0.912 657 D HN 0.527 nan 8.370 nan 0.000 0.521 658 Q N -0.868 119.015 119.800 0.138 0.000 2.245 658 Q HA 0.202 4.337 4.340 -0.341 0.000 0.250 658 Q C 1.493 177.469 176.000 -0.040 0.000 0.830 658 Q CA -0.334 55.494 55.803 0.041 0.000 0.950 658 Q CB 0.551 29.266 28.738 -0.039 0.000 1.124 658 Q HN 0.077 nan 8.270 nan 0.000 0.502 659 I N 2.020 122.566 120.570 -0.040 0.000 2.361 659 I HA -0.244 3.721 4.170 -0.341 0.000 0.251 659 I C 2.273 178.385 176.117 -0.008 0.000 1.133 659 I CA 1.524 62.800 61.300 -0.040 0.000 1.413 659 I CB 0.023 38.005 38.000 -0.031 0.000 1.073 659 I HN 0.164 nan 8.210 nan 0.000 0.424 660 E N 0.829 121.035 120.200 0.011 0.000 2.072 660 E HA -0.222 3.923 4.350 -0.341 0.000 0.191 660 E C 2.349 178.945 176.600 -0.006 0.000 0.985 660 E CA 1.197 57.607 56.400 0.016 0.000 0.801 660 E CB -0.087 29.635 29.700 0.036 0.000 0.750 660 E HN 0.501 nan 8.360 nan 0.000 0.452 661 R N -0.061 120.426 120.500 -0.022 0.000 2.115 661 R HA -0.049 4.086 4.340 -0.341 0.000 0.230 661 R C 2.532 178.737 176.300 -0.158 0.000 1.111 661 R CA 0.996 57.052 56.100 -0.074 0.000 0.976 661 R CB -0.161 30.087 30.300 -0.087 0.000 0.870 661 R HN 0.055 nan 8.270 nan 0.000 0.445 662 V N 1.201 121.026 119.914 -0.149 0.000 2.295 662 V HA -0.270 3.645 4.120 -0.341 0.000 0.246 662 V C 2.408 178.457 176.094 -0.075 0.000 1.049 662 V CA 2.259 64.465 62.300 -0.156 0.000 1.024 662 V CB -0.531 31.259 31.823 -0.055 0.000 0.648 662 V HN 0.467 nan 8.190 nan 0.000 0.447 663 S N 0.079 115.758 115.700 -0.035 0.000 2.469 663 S HA -0.143 4.122 4.470 -0.341 0.000 0.238 663 S C 1.793 176.389 174.600 -0.008 0.000 0.998 663 S CA 1.070 59.261 58.200 -0.015 0.000 0.957 663 S CB -0.353 62.847 63.200 0.001 0.000 0.764 663 S HN 0.637 nan 8.310 nan 0.000 0.514 664 R N 0.417 120.899 120.500 -0.030 0.000 2.432 664 R HA 0.493 4.628 4.340 -0.341 0.000 0.260 664 R C 0.885 177.168 176.300 -0.027 0.000 0.935 664 R CA 0.382 56.474 56.100 -0.014 0.000 1.080 664 R CB 0.133 30.429 30.300 -0.007 0.000 1.155 664 R HN 0.441 nan 8.270 nan 0.000 0.531 665 A N 2.163 124.930 122.820 -0.087 0.000 2.799 665 A HA -0.217 3.898 4.320 -0.341 0.000 0.287 665 A C -0.064 177.455 177.584 -0.108 0.000 1.484 665 A CA 1.312 53.280 52.037 -0.114 0.000 0.813 665 A CB -1.716 17.350 19.000 0.110 0.000 1.009 665 A HN 0.445 nan 8.150 nan 0.000 0.545 666 D N -0.149 120.138 120.400 -0.187 0.000 2.524 666 D HA 0.509 4.944 4.640 -0.341 0.000 0.222 666 D C -0.025 176.203 176.300 -0.121 0.000 1.142 666 D CA -0.380 53.584 54.000 -0.061 0.000 0.973 666 D CB -0.546 40.242 40.800 -0.020 0.000 1.025 666 D HN 0.247 nan 8.370 nan 0.000 0.519 667 F N 1.688 121.638 119.950 0.000 0.000 2.506 667 F HA 0.264 4.586 4.527 -0.342 0.000 0.351 667 F C 1.756 177.629 175.800 0.121 0.000 1.136 667 F CA -0.127 57.891 58.000 0.029 0.000 1.298 667 F CB 0.598 39.619 39.000 0.036 0.000 1.145 667 F HN -0.013 nan 8.300 nan 0.000 0.593 668 R N 1.030 121.650 120.500 0.201 0.000 2.531 668 R HA 0.210 4.345 4.340 -0.341 0.000 0.273 668 R C -0.327 176.043 176.300 0.118 0.000 1.070 668 R CA -0.793 55.380 56.100 0.122 0.000 1.112 668 R CB 0.675 30.947 30.300 -0.048 0.000 1.049 668 R HN 0.623 nan 8.270 nan 0.000 0.508 669 E N 2.651 122.829 120.200 -0.037 0.000 2.229 669 E HA 0.099 4.244 4.350 -0.341 0.000 0.283 669 E C -0.668 175.782 176.600 -0.251 0.000 1.030 669 E CA -0.393 55.732 56.400 -0.457 0.000 0.836 669 E CB 0.638 30.099 29.700 -0.398 0.000 1.068 669 E HN 0.335 nan 8.360 nan 0.000 0.401 670 L N 6.014 127.050 121.223 -0.313 0.000 2.360 670 L HA 0.170 4.305 4.340 -0.341 0.000 0.276 670 L C -0.215 176.469 176.870 -0.311 0.000 1.121 670 L CA -0.270 54.421 54.840 -0.249 0.000 0.845 670 L CB 0.187 42.068 42.059 -0.297 0.000 1.143 670 L HN 0.501 nan 8.230 nan 0.000 0.452 671 L N 5.208 126.334 121.223 -0.162 0.000 2.259 671 L HA 0.187 4.322 4.340 -0.341 0.000 0.288 671 L C 0.468 177.265 176.870 -0.122 0.000 1.051 671 L CA -0.380 54.394 54.840 -0.111 0.000 0.824 671 L CB 1.151 43.190 42.059 -0.034 0.000 1.206 671 L HN 0.584 nan 8.230 nan 0.000 0.429 672 L N 2.196 123.308 121.223 -0.185 0.000 2.425 672 L HA 0.244 4.379 4.340 -0.341 0.000 0.215 672 L C 1.146 178.086 176.870 0.117 0.000 1.065 672 L CA 0.566 55.316 54.840 -0.151 0.000 0.842 672 L CB -0.124 41.821 42.059 -0.189 0.000 1.033 672 L HN 0.446 nan 8.230 nan 0.000 0.474 673 R N 0.313 120.832 120.500 0.032 0.000 2.389 673 R HA 0.074 4.209 4.340 -0.341 0.000 0.295 673 R C 1.056 177.351 176.300 -0.009 0.000 1.075 673 R CA -0.318 55.805 56.100 0.038 0.000 1.005 673 R CB 0.880 31.187 30.300 0.011 0.000 0.987 673 R HN -0.069 nan 8.270 nan 0.000 0.452 674 R N 3.089 123.548 120.500 -0.068 0.000 2.140 674 R HA -0.257 3.878 4.340 -0.341 0.000 0.250 674 R C 1.001 177.192 176.300 -0.183 0.000 1.150 674 R CA 2.321 58.266 56.100 -0.259 0.000 0.966 674 R CB -0.086 29.840 30.300 -0.624 0.000 0.869 674 R HN 0.686 nan 8.270 nan 0.000 0.445 675 E N 0.255 120.396 120.200 -0.098 0.000 2.058 675 E HA -0.223 3.922 4.350 -0.341 0.000 0.194 675 E C 2.133 178.694 176.600 -0.064 0.000 0.997 675 E CA 1.881 58.242 56.400 -0.066 0.000 0.801 675 E CB -0.310 29.374 29.700 -0.027 0.000 0.746 675 E HN 0.537 nan 8.360 nan 0.000 0.450 676 Q N 0.369 120.134 119.800 -0.059 0.000 2.061 676 Q HA -0.141 3.994 4.340 -0.341 0.000 0.204 676 Q C 2.393 178.345 176.000 -0.080 0.000 0.984 676 Q CA 1.688 57.458 55.803 -0.055 0.000 0.846 676 Q CB -0.287 28.417 28.738 -0.056 0.000 0.902 676 Q HN 0.173 nan 8.270 nan 0.000 0.421 677 V N 1.434 121.265 119.914 -0.137 0.000 2.287 677 V HA -0.274 3.641 4.120 -0.341 0.000 0.248 677 V C 1.952 177.970 176.094 -0.127 0.000 1.053 677 V CA 2.052 64.217 62.300 -0.225 0.000 1.027 677 V CB -0.585 31.052 31.823 -0.310 0.000 0.646 677 V HN 0.366 nan 8.190 nan 0.000 0.447 678 E N 0.015 120.141 120.200 -0.124 0.000 2.209 678 E HA -0.188 3.957 4.350 -0.341 0.000 0.196 678 E C 2.197 178.774 176.600 -0.038 0.000 0.993 678 E CA 1.224 57.571 56.400 -0.088 0.000 0.819 678 E CB -0.245 29.393 29.700 -0.103 0.000 0.745 678 E HN 0.634 nan 8.360 nan 0.000 0.477 679 A N 0.620 123.422 122.820 -0.031 0.000 2.072 679 A HA 0.168 4.284 4.320 -0.341 0.000 0.216 679 A C 2.073 179.668 177.584 0.019 0.000 1.156 679 A CA 1.045 53.080 52.037 -0.003 0.000 0.701 679 A CB 0.122 19.121 19.000 -0.002 0.000 0.816 679 A HN 0.227 nan 8.150 nan 0.000 0.458 680 A N -0.826 122.006 122.820 0.020 0.000 2.348 680 A HA 0.470 4.585 4.320 -0.341 0.000 0.224 680 A C 0.760 178.400 177.584 0.092 0.000 1.227 680 A CA 0.130 52.205 52.037 0.064 0.000 0.885 680 A CB -0.383 18.667 19.000 0.083 0.000 0.933 680 A HN 0.514 nan 8.150 nan 0.000 0.506 681 V N 0.350 120.306 119.914 0.071 0.000 2.585 681 V HA 0.098 4.013 4.120 -0.341 0.000 0.296 681 V C 0.677 176.844 176.094 0.122 0.000 1.035 681 V CA 0.739 63.108 62.300 0.115 0.000 1.084 681 V CB 1.046 32.919 31.823 0.084 0.000 0.953 681 V HN 0.684 nan 8.190 nan 0.000 0.483 682 Q N 3.710 123.610 119.800 0.166 0.000 2.245 682 Q HA 0.380 4.515 4.340 -0.341 0.000 0.250 682 Q C -0.257 175.834 176.000 0.153 0.000 0.830 682 Q CA 0.103 55.988 55.803 0.138 0.000 0.950 682 Q CB 0.942 29.758 28.738 0.130 0.000 1.124 682 Q HN 0.843 nan 8.270 nan 0.000 0.502 683 E N 0.407 120.744 120.200 0.229 0.000 2.321 683 E HA 0.398 4.543 4.350 -0.341 0.000 0.278 683 E C -1.223 175.598 176.600 0.368 0.000 0.902 683 E CA -0.481 56.059 56.400 0.234 0.000 0.758 683 E CB 2.160 31.941 29.700 0.136 0.000 1.213 683 E HN -0.031 nan 8.360 nan 0.000 0.426 684 R N 1.191 121.857 120.500 0.277 0.000 2.599 684 R HA 0.491 4.626 4.340 -0.341 0.000 0.295 684 R C -0.903 175.559 176.300 0.270 0.000 0.963 684 R CA -0.741 55.525 56.100 0.276 0.000 0.883 684 R CB 2.120 32.511 30.300 0.152 0.000 1.171 684 R HN 0.316 nan 8.270 nan 0.000 0.450 685 T N 4.101 118.839 114.554 0.306 0.000 3.241 685 T HA 0.265 4.410 4.350 -0.341 0.000 0.387 685 T C -2.539 172.266 174.700 0.175 0.000 1.451 685 T CA -1.469 60.752 62.100 0.202 0.000 1.363 685 T CB 1.262 70.234 68.868 0.174 0.000 1.074 685 T HN 0.215 nan 8.240 nan 0.000 0.598 686 P HA 0.438 nan 4.420 nan 0.000 0.271 686 P C -0.806 176.563 177.300 0.115 0.000 1.216 686 P CA -0.397 62.734 63.100 0.052 0.000 0.776 686 P CB 0.320 32.030 31.700 0.017 0.000 0.881 687 F N -0.185 119.755 119.950 -0.017 0.000 2.631 687 F HA 0.647 4.970 4.527 -0.341 0.000 0.308 687 F C -1.233 174.584 175.800 0.028 0.000 1.097 687 F CA -1.333 56.663 58.000 -0.006 0.000 0.952 687 F CB 1.509 40.496 39.000 -0.022 0.000 1.307 687 F HN 0.052 nan 8.300 nan 0.000 0.450 688 N N 2.142 120.996 118.700 0.256 0.000 2.479 688 N HA 0.339 4.874 4.740 -0.341 0.000 0.261 688 N C -1.878 173.707 175.510 0.125 0.000 0.979 688 N CA -0.522 52.597 53.050 0.116 0.000 0.930 688 N CB 0.841 39.359 38.487 0.051 0.000 1.172 688 N HN 0.707 nan 8.380 nan 0.000 0.499 689 F N 3.941 123.813 119.950 -0.131 0.000 2.413 689 F HA 0.412 4.735 4.527 -0.341 0.000 0.359 689 F C -0.375 175.277 175.800 -0.247 0.000 1.122 689 F CA -0.946 56.742 58.000 -0.520 0.000 1.160 689 F CB 0.332 39.076 39.000 -0.427 0.000 1.146 689 F HN 0.338 nan 8.300 nan 0.000 0.514 690 K N 7.993 128.130 120.400 -0.438 0.000 2.296 690 K HA 0.325 4.440 4.320 -0.341 0.000 0.257 690 K C -1.989 174.281 176.600 -0.550 0.000 1.088 690 K CA -1.534 54.504 56.287 -0.415 0.000 0.980 690 K CB 0.318 32.733 32.500 -0.141 0.000 1.430 690 K HN 0.472 nan 8.250 nan 0.000 0.441 691 P HA 0.000 nan 4.420 nan 0.000 0.216 691 P CA 0.000 62.773 63.100 -0.545 0.000 0.800 691 P CB 0.000 31.430 31.700 -0.449 0.000 0.726