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 1oh6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGXXX XXXXXXXXFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 0.000 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3 A N 2.434 125.253 122.820 -0.001 0.000 2.511 3 A HA 0.491 4.811 4.320 0.000 0.000 0.242 3 A C 0.150 177.718 177.584 -0.025 0.000 1.069 3 A CA -0.045 51.982 52.037 -0.017 0.000 0.763 3 A CB -0.420 18.567 19.000 -0.022 0.000 1.001 3 A HN 0.772 nan 8.150 nan 0.000 0.498 4 I N 2.543 123.093 120.570 -0.034 0.000 2.406 4 I HA 0.029 4.199 4.170 0.000 0.000 0.293 4 I C 0.417 176.487 176.117 -0.078 0.000 1.101 4 I CA 0.597 61.874 61.300 -0.038 0.000 1.334 4 I CB 0.254 38.238 38.000 -0.027 0.000 1.421 4 I HN 0.676 nan 8.210 nan 0.000 0.513 5 E N 6.421 126.572 120.200 -0.083 0.000 2.698 5 E HA 0.080 4.430 4.350 0.000 0.000 0.242 5 E C -0.281 176.262 176.600 -0.095 0.000 1.243 5 E CA -0.484 55.799 56.400 -0.194 0.000 1.483 5 E CB -0.060 29.570 29.700 -0.117 0.000 1.495 5 E HN 0.606 nan 8.360 nan 0.000 0.440 6 N N 0.495 119.161 118.700 -0.056 0.000 2.307 6 N HA -0.133 4.607 4.740 0.000 0.000 0.230 6 N C 0.690 176.252 175.510 0.087 0.000 1.297 6 N CA -0.058 53.018 53.050 0.042 0.000 0.884 6 N CB 0.773 39.285 38.487 0.041 0.000 1.115 6 N HN 0.103 nan 8.380 nan 0.000 0.436 7 F N 0.555 120.540 119.950 0.058 0.000 2.063 7 F HA -0.259 4.269 4.527 0.000 0.000 0.298 7 F C 1.729 177.575 175.800 0.077 0.000 1.109 7 F CA 2.043 60.111 58.000 0.113 0.000 1.212 7 F CB -0.197 38.845 39.000 0.069 0.000 0.973 7 F HN 0.472 nan 8.300 nan 0.000 0.480 8 D N -0.026 120.478 120.400 0.173 0.000 2.218 8 D HA -0.127 4.513 4.640 0.000 0.000 0.204 8 D C 2.229 178.502 176.300 -0.046 0.000 0.976 8 D CA 1.220 55.259 54.000 0.064 0.000 0.853 8 D CB -0.517 40.331 40.800 0.080 0.000 0.939 8 D HN 0.384 nan 8.370 nan 0.000 0.481 9 A N -0.078 122.672 122.820 -0.117 0.000 2.121 9 A HA -0.090 4.230 4.320 0.000 0.000 0.218 9 A C 0.669 178.102 177.584 -0.251 0.000 1.154 9 A CA 0.692 52.609 52.037 -0.201 0.000 0.679 9 A CB -0.474 18.362 19.000 -0.273 0.000 0.795 9 A HN 0.297 nan 8.150 nan 0.000 0.458 10 H N -0.392 118.602 119.070 -0.127 0.000 2.482 10 H HA 0.396 4.952 4.556 0.000 0.000 0.344 10 H C 0.806 176.029 175.328 -0.176 0.000 1.151 10 H CA 0.171 56.122 56.048 -0.162 0.000 1.300 10 H CB 1.063 30.691 29.762 -0.223 0.000 1.494 10 H HN 0.276 nan 8.280 nan 0.000 0.542 11 T N 0.195 114.755 114.554 0.010 0.000 2.856 11 T HA 0.018 4.368 4.350 0.000 0.000 0.306 11 T C -1.696 172.959 174.700 -0.076 0.000 1.062 11 T CA -1.553 60.520 62.100 -0.044 0.000 1.083 11 T CB 0.807 69.644 68.868 -0.052 0.000 0.984 11 T HN 0.372 nan 8.240 nan 0.000 0.542 12 P HA -0.128 nan 4.420 nan 0.000 0.218 12 P C 1.715 179.011 177.300 -0.006 0.000 1.146 12 P CA 1.053 64.133 63.100 -0.033 0.000 0.813 12 P CB -0.069 31.634 31.700 0.005 0.000 0.778 13 M N -1.834 117.761 119.600 -0.008 0.000 2.099 13 M HA -0.124 4.356 4.480 0.000 0.000 0.262 13 M C 1.543 177.829 176.300 -0.023 0.000 1.067 13 M CA 1.953 57.273 55.300 0.033 0.000 1.124 13 M CB -0.245 32.352 32.600 -0.006 0.000 1.353 13 M HN -0.162 nan 8.290 nan 0.000 0.410 14 M N -0.168 119.347 119.600 -0.141 0.000 2.388 14 M HA -0.052 4.428 4.480 0.000 0.000 0.265 14 M C 1.887 178.054 176.300 -0.221 0.000 1.088 14 M CA 1.211 56.375 55.300 -0.228 0.000 1.134 14 M CB -1.208 31.191 32.600 -0.334 0.000 1.384 14 M HN 0.405 nan 8.290 nan 0.000 0.447 15 Q N 0.305 119.967 119.800 -0.230 0.000 2.002 15 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 15 Q C 2.149 178.134 176.000 -0.025 0.000 0.988 15 Q CA 1.918 57.527 55.803 -0.324 0.000 0.843 15 Q CB -0.294 28.131 28.738 -0.521 0.000 0.908 15 Q HN 0.560 nan 8.270 nan 0.000 0.420 16 Q N -0.234 119.604 119.800 0.064 0.000 2.077 16 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 16 Q C 1.984 178.104 176.000 0.200 0.000 0.989 16 Q CA 1.851 57.759 55.803 0.175 0.000 0.853 16 Q CB -0.238 28.643 28.738 0.237 0.000 0.907 16 Q HN 0.477 nan 8.270 nan 0.000 0.418 17 Y N 0.404 120.709 120.300 0.008 0.000 2.200 17 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 17 Y C 1.722 177.619 175.900 -0.004 0.000 1.137 17 Y CA 1.498 59.536 58.100 -0.103 0.000 1.163 17 Y CB -0.108 38.072 38.460 -0.466 0.000 0.988 17 Y HN 0.104 nan 8.280 nan 0.000 0.518 18 L N -0.104 121.122 121.223 0.005 0.000 2.156 18 L HA -0.154 4.186 4.340 0.000 0.000 0.208 18 L C 2.592 179.433 176.870 -0.047 0.000 1.095 18 L CA 1.066 55.874 54.840 -0.053 0.000 0.770 18 L CB -0.450 41.586 42.059 -0.039 0.000 0.914 18 L HN 0.151 nan 8.230 nan 0.000 0.439 19 R N 0.031 120.553 120.500 0.037 0.000 2.081 19 R HA -0.149 4.191 4.340 0.000 0.000 0.235 19 R C 2.257 178.555 176.300 -0.004 0.000 1.131 19 R CA 1.260 57.394 56.100 0.056 0.000 0.960 19 R CB -0.440 29.931 30.300 0.119 0.000 0.856 19 R HN 0.338 nan 8.270 nan 0.000 0.436 20 L N 0.506 121.719 121.223 -0.016 0.000 2.072 20 L HA -0.138 4.202 4.340 0.000 0.000 0.205 20 L C 2.481 179.329 176.870 -0.037 0.000 1.079 20 L CA 1.077 55.924 54.840 0.012 0.000 0.752 20 L CB -0.262 41.852 42.059 0.092 0.000 0.906 20 L HN 0.019 nan 8.230 nan 0.000 0.436 21 K N 0.806 121.077 120.400 -0.215 0.000 2.155 21 K HA -0.048 4.272 4.320 0.000 0.000 0.203 21 K C 1.917 178.468 176.600 -0.081 0.000 1.052 21 K CA 1.306 57.482 56.287 -0.185 0.000 0.948 21 K CB -0.226 32.042 32.500 -0.388 0.000 0.728 21 K HN 0.186 nan 8.250 nan 0.000 0.448 22 A N 0.404 123.172 122.820 -0.087 0.000 2.125 22 A HA -0.135 4.185 4.320 0.000 0.000 0.219 22 A C 1.705 179.223 177.584 -0.110 0.000 1.156 22 A CA 1.340 53.339 52.037 -0.063 0.000 0.671 22 A CB -0.373 18.606 19.000 -0.034 0.000 0.794 22 A HN 0.528 nan 8.150 nan 0.000 0.459 23 Q N -1.024 118.650 119.800 -0.211 0.000 2.392 23 Q HA 0.049 4.389 4.340 0.000 0.000 0.203 23 Q C -0.358 175.169 176.000 -0.789 0.000 0.917 23 Q CA 0.414 55.956 55.803 -0.435 0.000 0.939 23 Q CB 0.316 28.756 28.738 -0.496 0.000 1.063 23 Q HN 0.780 nan 8.270 nan 0.000 0.516 24 H N -0.764 118.299 119.070 -0.012 0.000 2.616 24 H HA 0.152 4.708 4.556 0.000 0.000 0.229 24 H C -2.027 173.304 175.328 0.004 0.000 1.418 24 H CA -1.574 54.470 56.048 -0.006 0.000 1.248 24 H CB 0.751 30.503 29.762 -0.016 0.000 1.822 24 H HN 0.118 nan 8.280 nan 0.000 0.522 25 P HA -0.107 nan 4.420 nan 0.000 0.218 25 P C 0.945 178.286 177.300 0.068 0.000 1.149 25 P CA 1.132 64.262 63.100 0.049 0.000 0.817 25 P CB 0.615 32.330 31.700 0.025 0.000 0.785 26 E N -0.467 119.776 120.200 0.073 0.000 2.472 26 E HA 0.124 4.474 4.350 0.000 0.000 0.196 26 E C 1.006 177.650 176.600 0.073 0.000 1.033 26 E CA -0.093 56.348 56.400 0.069 0.000 0.886 26 E CB 0.078 29.814 29.700 0.061 0.000 0.944 26 E HN 0.408 nan 8.360 nan 0.000 0.492 27 I N -2.275 118.345 120.570 0.083 0.000 2.846 27 I HA 0.340 4.510 4.170 0.000 0.000 0.307 27 I C -0.355 175.799 176.117 0.061 0.000 1.053 27 I CA -1.291 60.044 61.300 0.058 0.000 1.050 27 I CB 1.393 39.414 38.000 0.036 0.000 1.239 27 I HN -0.267 nan 8.210 nan 0.000 0.439 28 L N 3.760 125.003 121.223 0.033 0.000 2.490 28 L HA 0.156 4.496 4.340 0.000 0.000 0.274 28 L C -0.395 176.495 176.870 0.033 0.000 1.201 28 L CA 0.026 54.901 54.840 0.060 0.000 0.869 28 L CB 0.492 42.574 42.059 0.039 0.000 1.123 28 L HN 0.487 nan 8.230 nan 0.000 0.484 29 L N 3.912 125.228 121.223 0.155 0.000 2.325 29 L HA 0.504 4.844 4.340 0.000 0.000 0.281 29 L C -0.868 176.245 176.870 0.405 0.000 1.004 29 L CA 0.033 54.987 54.840 0.190 0.000 0.823 29 L CB 1.026 43.202 42.059 0.195 0.000 1.236 29 L HN 0.147 nan 8.230 nan 0.000 0.415 30 F N 5.274 125.262 119.950 0.063 0.000 2.411 30 F HA 0.294 4.821 4.527 0.000 0.000 0.355 30 F C -0.502 175.466 175.800 0.280 0.000 1.117 30 F CA -0.516 57.538 58.000 0.092 0.000 1.139 30 F CB 0.673 39.579 39.000 -0.158 0.000 1.120 30 F HN 0.410 nan 8.300 nan 0.000 0.493 31 Y N 4.298 124.796 120.300 0.329 0.000 2.334 31 Y HA 0.490 5.040 4.550 0.000 0.000 0.336 31 Y C 0.044 176.085 175.900 0.234 0.000 0.960 31 Y CA -1.254 57.027 58.100 0.302 0.000 1.164 31 Y CB 0.536 39.213 38.460 0.361 0.000 1.155 31 Y HN 0.525 nan 8.280 nan 0.000 0.478 32 R N 5.968 126.453 120.500 -0.026 0.000 2.370 32 R HA 0.287 4.627 4.340 0.000 0.000 0.309 32 R C -1.261 174.890 176.300 -0.248 0.000 1.059 32 R CA 0.429 56.411 56.100 -0.198 0.000 0.981 32 R CB -0.028 30.140 30.300 -0.220 0.000 0.972 32 R HN 0.870 nan 8.270 nan 0.000 0.437 33 M N 5.264 124.805 119.600 -0.098 0.000 2.067 33 M HA 0.256 4.736 4.480 0.000 0.000 0.286 33 M C 0.443 176.748 176.300 0.008 0.000 0.922 33 M CA 0.090 55.386 55.300 -0.006 0.000 0.937 33 M CB 1.654 34.341 32.600 0.145 0.000 1.550 33 M HN 0.911 nan 8.290 nan 0.000 0.433 34 G N 3.539 112.318 108.800 -0.034 0.000 2.629 34 G HA2 -0.333 3.627 3.960 0.000 0.000 0.313 34 G HA3 -0.333 3.627 3.960 0.000 0.000 0.313 34 G C 0.223 175.096 174.900 -0.045 0.000 1.217 34 G CA 0.870 45.958 45.100 -0.020 0.000 0.994 34 G HN 0.697 nan 8.290 nan 0.000 0.549 35 D N 0.551 121.008 120.400 0.094 0.000 2.328 35 D HA 0.415 5.055 4.640 0.000 0.000 0.226 35 D C 0.150 176.419 176.300 -0.052 0.000 1.066 35 D CA 0.281 54.335 54.000 0.090 0.000 0.861 35 D CB -0.011 40.890 40.800 0.169 0.000 0.912 35 D HN 0.148 nan 8.370 nan 0.000 0.521 36 F N -0.380 119.498 119.950 -0.120 0.000 2.551 36 F HA 0.370 4.897 4.527 0.000 0.000 0.316 36 F C -0.411 175.220 175.800 -0.281 0.000 1.089 36 F CA -1.151 56.751 58.000 -0.163 0.000 0.915 36 F CB 1.117 40.049 39.000 -0.112 0.000 1.186 36 F HN -0.249 nan 8.300 nan 0.000 0.456 37 Y N 1.372 121.664 120.300 -0.014 0.000 2.336 37 Y HA 0.457 5.007 4.550 0.000 0.000 0.335 37 Y C 0.089 175.857 175.900 -0.220 0.000 1.046 37 Y CA -0.382 57.635 58.100 -0.138 0.000 1.198 37 Y CB 0.839 39.088 38.460 -0.352 0.000 1.182 37 Y HN 0.423 nan 8.280 nan 0.000 0.502 38 E N 2.500 122.685 120.200 -0.026 0.000 2.212 38 E HA 0.675 5.025 4.350 0.000 0.000 0.268 38 E C -1.690 174.656 176.600 -0.423 0.000 0.902 38 E CA -0.622 55.599 56.400 -0.299 0.000 0.779 38 E CB 1.383 30.874 29.700 -0.349 0.000 1.172 38 E HN 0.460 nan 8.360 nan 0.000 0.409 39 L N 2.871 123.745 121.223 -0.582 0.000 2.370 39 L HA 0.629 4.969 4.340 0.000 0.000 0.266 39 L C -1.020 175.468 176.870 -0.637 0.000 1.002 39 L CA -0.544 54.046 54.840 -0.417 0.000 0.818 39 L CB 1.042 43.041 42.059 -0.101 0.000 1.325 39 L HN 0.412 nan 8.230 nan 0.000 0.418 40 F N 0.523 120.417 119.950 -0.094 0.000 2.611 40 F HA 0.687 5.214 4.527 0.000 0.000 0.324 40 F C 0.204 175.977 175.800 -0.045 0.000 1.061 40 F CA -1.041 56.774 58.000 -0.308 0.000 0.954 40 F CB 1.022 39.571 39.000 -0.751 0.000 1.301 40 F HN 0.402 nan 8.300 nan 0.000 0.482 41 Y N -0.367 120.034 120.300 0.168 0.000 2.864 41 Y HA -0.427 4.123 4.550 0.000 0.000 0.468 41 Y C 1.636 177.593 175.900 0.096 0.000 1.175 41 Y CA 1.274 59.440 58.100 0.110 0.000 2.601 41 Y CB -1.495 37.037 38.460 0.121 0.000 1.207 41 Y HN 0.572 nan 8.280 nan 0.000 0.627 42 D N -0.317 120.265 120.400 0.303 0.000 2.234 42 D HA -0.035 4.605 4.640 0.000 0.000 0.205 42 D C 1.385 177.774 176.300 0.150 0.000 0.962 42 D CA 1.191 55.298 54.000 0.179 0.000 0.855 42 D CB -0.259 40.629 40.800 0.146 0.000 0.951 42 D HN 0.408 nan 8.370 nan 0.000 0.500 43 D N 0.579 121.090 120.400 0.184 0.000 2.149 43 D HA -0.150 4.490 4.640 0.000 0.000 0.198 43 D C 2.076 178.436 176.300 0.099 0.000 0.990 43 D CA 1.247 55.339 54.000 0.155 0.000 0.839 43 D CB -0.337 40.586 40.800 0.205 0.000 0.948 43 D HN 0.205 nan 8.370 nan 0.000 0.460 44 A N 0.742 123.605 122.820 0.070 0.000 1.898 44 A HA -0.190 4.130 4.320 0.000 0.000 0.216 44 A C 2.063 179.661 177.584 0.023 0.000 1.181 44 A CA 1.488 53.529 52.037 0.006 0.000 0.620 44 A CB -0.338 18.647 19.000 -0.025 0.000 0.819 44 A HN 0.149 nan 8.150 nan 0.000 0.442 45 K N -0.931 119.498 120.400 0.049 0.000 2.097 45 K HA -0.106 4.214 4.320 0.000 0.000 0.205 45 K C 2.340 178.968 176.600 0.047 0.000 1.050 45 K CA 1.495 57.809 56.287 0.044 0.000 0.938 45 K CB -0.103 32.431 32.500 0.056 0.000 0.718 45 K HN 0.449 nan 8.250 nan 0.000 0.442 46 R N 0.755 121.291 120.500 0.061 0.000 2.062 46 R HA -0.016 4.324 4.340 0.000 0.000 0.226 46 R C 2.220 178.557 176.300 0.061 0.000 1.125 46 R CA 1.225 57.362 56.100 0.062 0.000 0.966 46 R CB -0.242 30.101 30.300 0.072 0.000 0.861 46 R HN 0.160 nan 8.270 nan 0.000 0.433 47 A N 0.020 122.879 122.820 0.066 0.000 1.917 47 A HA -0.238 4.082 4.320 0.000 0.000 0.219 47 A C 2.196 179.801 177.584 0.034 0.000 1.182 47 A CA 2.134 54.210 52.037 0.064 0.000 0.633 47 A CB -1.082 17.949 19.000 0.051 0.000 0.819 47 A HN 0.483 nan 8.150 nan 0.000 0.448 48 S N -0.986 114.724 115.700 0.017 0.000 2.359 48 S HA -0.264 4.206 4.470 0.000 0.000 0.224 48 S C 2.190 176.806 174.600 0.028 0.000 1.035 48 S CA 1.910 60.115 58.200 0.009 0.000 1.018 48 S CB -0.366 62.837 63.200 0.004 0.000 0.876 48 S HN 0.692 nan 8.310 nan 0.000 0.448 49 Q N 0.176 119.997 119.800 0.035 0.000 2.020 49 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 49 Q C 2.371 178.400 176.000 0.047 0.000 0.982 49 Q CA 1.817 57.643 55.803 0.038 0.000 0.838 49 Q CB -0.300 28.462 28.738 0.039 0.000 0.899 49 Q HN 0.511 nan 8.270 nan 0.000 0.423 50 L N -0.066 121.191 121.223 0.057 0.000 2.046 50 L HA -0.174 4.167 4.340 0.000 0.000 0.208 50 L C 1.963 178.886 176.870 0.088 0.000 1.077 50 L CA 0.992 55.873 54.840 0.068 0.000 0.747 50 L CB -0.174 41.931 42.059 0.075 0.000 0.896 50 L HN 0.240 nan 8.230 nan 0.000 0.432 51 L N -1.432 119.854 121.223 0.105 0.000 2.616 51 L HA 0.122 4.462 4.340 0.000 0.000 0.229 51 L C 0.118 177.082 176.870 0.157 0.000 1.110 51 L CA -0.160 54.782 54.840 0.171 0.000 0.884 51 L CB -0.100 42.069 42.059 0.184 0.000 1.115 51 L HN 0.186 nan 8.230 nan 0.000 0.481 52 D N 1.648 122.102 120.400 0.090 0.000 2.718 52 D HA -0.185 4.455 4.640 0.000 0.000 0.242 52 D C -0.381 175.958 176.300 0.065 0.000 1.123 52 D CA 0.588 54.631 54.000 0.072 0.000 0.690 52 D CB -0.800 40.045 40.800 0.076 0.000 1.059 52 D HN 0.499 nan 8.370 nan 0.000 0.429 53 I N -3.352 117.234 120.570 0.027 0.000 2.892 53 I HA 0.628 4.798 4.170 0.000 0.000 0.306 53 I C 0.296 176.404 176.117 -0.016 0.000 1.078 53 I CA -1.120 60.175 61.300 -0.009 0.000 1.032 53 I CB 2.169 40.118 38.000 -0.083 0.000 1.229 53 I HN -0.106 nan 8.210 nan 0.000 0.435 54 S N 3.290 118.978 115.700 -0.020 0.000 2.549 54 S HA 0.252 4.722 4.470 0.000 0.000 0.286 54 S C -0.275 174.305 174.600 -0.034 0.000 1.314 54 S CA -0.361 57.826 58.200 -0.021 0.000 1.062 54 S CB 0.541 63.728 63.200 -0.021 0.000 0.865 54 S HN 0.468 nan 8.310 nan 0.000 0.498 55 L N 4.649 125.857 121.223 -0.024 0.000 2.278 55 L HA 0.488 4.828 4.340 0.000 0.000 0.287 55 L C 0.401 177.252 176.870 -0.032 0.000 1.072 55 L CA 0.751 55.575 54.840 -0.027 0.000 0.819 55 L CB 0.749 42.801 42.059 -0.011 0.000 1.176 55 L HN 0.697 nan 8.230 nan 0.000 0.435 56 T N 3.786 118.314 114.554 -0.044 0.000 2.633 56 T HA 0.644 4.994 4.350 0.000 0.000 0.262 56 T C -0.820 173.850 174.700 -0.050 0.000 0.920 56 T CA -0.583 61.489 62.100 -0.047 0.000 1.062 56 T CB 1.011 69.843 68.868 -0.060 0.000 1.390 56 T HN 0.613 nan 8.240 nan 0.000 0.549 57 K N 0.266 120.633 120.400 -0.055 0.000 2.443 57 K HA 0.606 4.926 4.320 0.000 0.000 0.251 57 K C -1.183 175.374 176.600 -0.072 0.000 0.972 57 K CA -0.797 55.452 56.287 -0.064 0.000 0.833 57 K CB 1.912 34.377 32.500 -0.058 0.000 1.317 57 K HN 0.385 nan 8.250 nan 0.000 0.441 58 R N 0.747 121.188 120.500 -0.098 0.000 2.388 58 R HA 0.331 4.671 4.340 0.000 0.000 0.314 58 R C -0.322 175.905 176.300 -0.121 0.000 0.959 58 R CA -0.473 55.560 56.100 -0.111 0.000 0.851 58 R CB 1.152 31.366 30.300 -0.144 0.000 1.168 58 R HN 0.872 nan 8.270 nan 0.000 0.472 59 G N 2.159 110.905 108.800 -0.090 0.000 2.474 59 G HA2 0.327 4.287 3.960 0.000 0.000 0.233 59 G HA3 0.327 4.287 3.960 0.000 0.000 0.233 59 G C -0.744 174.107 174.900 -0.082 0.000 1.278 59 G CA 0.072 45.127 45.100 -0.075 0.000 0.861 59 G HN 0.687 nan 8.290 nan 0.000 0.567 60 A N 0.890 123.670 122.820 -0.066 0.000 2.455 60 A HA 0.655 4.975 4.320 0.000 0.000 0.300 60 A C 0.858 178.415 177.584 -0.044 0.000 1.040 60 A CA 0.286 52.287 52.037 -0.059 0.000 0.697 60 A CB 1.614 20.579 19.000 -0.058 0.000 1.265 60 A HN 1.524 nan 8.150 nan 0.000 0.407 61 S N 1.242 116.918 115.700 -0.040 0.000 2.446 61 S HA 0.383 4.853 4.470 0.000 0.000 0.225 61 S C 0.768 175.349 174.600 -0.031 0.000 1.016 61 S CA 1.055 59.235 58.200 -0.033 0.000 0.943 61 S CB -0.032 63.150 63.200 -0.030 0.000 0.786 61 S HN 2.100 nan 8.310 nan 0.000 0.508 62 A N 0.004 122.802 122.820 -0.036 0.000 2.353 62 A HA 0.745 5.065 4.320 0.000 0.000 0.299 62 A C 0.650 178.209 177.584 -0.043 0.000 1.089 62 A CA -0.172 51.842 52.037 -0.039 0.000 0.736 62 A CB 0.643 19.616 19.000 -0.044 0.000 1.195 62 A HN 1.600 nan 8.150 nan 0.000 0.447 63 G N 1.730 110.508 108.800 -0.036 0.000 2.527 63 G HA2 -0.098 3.862 3.960 0.000 0.000 0.227 63 G HA3 -0.098 3.862 3.960 0.000 0.000 0.227 63 G C -0.363 174.528 174.900 -0.015 0.000 1.291 63 G CA -0.015 45.067 45.100 -0.031 0.000 0.904 63 G HN 0.970 nan 8.290 nan 0.000 0.577 64 E N 1.663 121.865 120.200 0.004 0.000 2.318 64 E HA 0.489 4.839 4.350 0.000 0.000 0.265 64 E C -2.151 174.447 176.600 -0.002 0.000 1.069 64 E CA -1.319 55.089 56.400 0.013 0.000 0.893 64 E CB 1.079 30.805 29.700 0.043 0.000 1.076 64 E HN 0.440 nan 8.360 nan 0.000 0.414 65 P HA 0.218 nan 4.420 nan 0.000 0.278 65 P C -0.661 176.593 177.300 -0.077 0.000 1.238 65 P CA -0.057 63.012 63.100 -0.052 0.000 0.794 65 P CB 0.632 32.305 31.700 -0.045 0.000 0.955 66 I N 4.399 124.870 120.570 -0.166 0.000 2.312 66 I HA 0.238 4.408 4.170 0.000 0.000 0.290 66 I C -2.115 173.840 176.117 -0.271 0.000 1.008 66 I CA -2.636 58.464 61.300 -0.333 0.000 1.226 66 I CB 1.250 38.912 38.000 -0.563 0.000 1.371 66 I HN 0.111 nan 8.210 nan 0.000 0.468 67 P HA 0.114 nan 4.420 nan 0.000 0.265 67 P C -0.766 176.496 177.300 -0.062 0.000 1.193 67 P CA 0.044 63.083 63.100 -0.103 0.000 0.765 67 P CB 0.531 32.207 31.700 -0.040 0.000 0.823 68 M N 2.623 122.204 119.600 -0.032 0.000 2.433 68 M HA 0.720 5.200 4.480 0.000 0.000 0.290 68 M C -1.922 174.320 176.300 -0.097 0.000 1.173 68 M CA -0.503 54.777 55.300 -0.034 0.000 0.905 68 M CB 2.227 34.852 32.600 0.042 0.000 1.692 68 M HN 0.410 nan 8.290 nan 0.000 0.462 69 A N 2.416 125.139 122.820 -0.162 0.000 2.556 69 A HA 1.037 5.357 4.320 0.000 0.000 0.294 69 A C -0.871 176.587 177.584 -0.210 0.000 1.091 69 A CA -0.171 51.775 52.037 -0.153 0.000 0.704 69 A CB 1.962 20.892 19.000 -0.117 0.000 1.300 69 A HN 1.171 nan 8.150 nan 0.000 0.406 70 G N -0.718 107.974 108.800 -0.179 0.000 2.523 70 G HA2 0.682 4.642 3.960 0.000 0.000 0.291 70 G HA3 0.682 4.642 3.960 0.000 0.000 0.291 70 G C -1.370 173.473 174.900 -0.095 0.000 1.450 70 G CA 0.102 45.111 45.100 -0.153 0.000 0.790 70 G HN 1.758 nan 8.290 nan 0.000 0.496 71 I N -1.815 118.687 120.570 -0.113 0.000 2.769 71 I HA 0.730 4.900 4.170 0.000 0.000 0.298 71 I C -2.742 173.164 176.117 -0.352 0.000 1.128 71 I CA -2.955 58.196 61.300 -0.249 0.000 1.031 71 I CB 2.905 40.583 38.000 -0.536 0.000 1.235 71 I HN 0.290 nan 8.210 nan 0.000 0.423 72 P HA 0.040 nan 4.420 nan 0.000 0.271 72 P C 0.079 177.002 177.300 -0.629 0.000 1.218 72 P CA 0.023 62.488 63.100 -1.058 0.000 0.780 72 P CB 0.422 31.449 31.700 -1.121 0.000 0.901 73 Y N 2.602 122.623 120.300 -0.465 0.000 2.207 73 Y HA -0.268 4.282 4.550 0.000 0.000 0.287 73 Y C 2.318 178.207 175.900 -0.018 0.000 1.156 73 Y CA 1.786 59.774 58.100 -0.187 0.000 1.182 73 Y CB -1.859 36.430 38.460 -0.285 0.000 0.979 73 Y HN 0.498 nan 8.280 nan 0.000 0.521 74 H N -0.360 118.111 119.070 -0.998 0.000 2.546 74 H HA 0.284 4.840 4.556 0.000 0.000 0.277 74 H C 1.457 176.636 175.328 -0.249 0.000 1.004 74 H CA 0.860 56.489 56.048 -0.698 0.000 1.231 74 H CB -0.199 29.058 29.762 -0.841 0.000 1.382 74 H HN 0.526 nan 8.280 nan 0.000 0.580 75 A N 1.328 123.911 122.820 -0.396 0.000 2.387 75 A HA 0.263 4.583 4.320 0.000 0.000 0.234 75 A C 2.239 179.882 177.584 0.099 0.000 1.253 75 A CA 0.160 52.130 52.037 -0.111 0.000 0.894 75 A CB -0.244 18.703 19.000 -0.089 0.000 0.963 75 A HN 0.254 nan 8.150 nan 0.000 0.508 76 V N -0.082 119.901 119.914 0.115 0.000 2.407 76 V HA -0.233 3.888 4.120 0.000 0.000 0.248 76 V C 2.251 178.445 176.094 0.167 0.000 1.055 76 V CA 2.600 65.025 62.300 0.208 0.000 1.049 76 V CB -0.229 31.724 31.823 0.217 0.000 0.662 76 V HN 0.718 nan 8.190 nan 0.000 0.455 77 E N -0.260 119.988 120.200 0.080 0.000 2.110 77 E HA -0.214 4.136 4.350 0.000 0.000 0.193 77 E C 2.036 178.629 176.600 -0.011 0.000 0.988 77 E CA 1.456 57.873 56.400 0.029 0.000 0.804 77 E CB -0.154 29.551 29.700 0.009 0.000 0.745 77 E HN 0.714 nan 8.360 nan 0.000 0.458 78 N N -0.304 118.353 118.700 -0.073 0.000 2.166 78 N HA -0.170 4.570 4.740 0.000 0.000 0.186 78 N C 1.710 177.073 175.510 -0.245 0.000 1.019 78 N CA 1.058 53.984 53.050 -0.207 0.000 0.856 78 N CB -0.182 38.093 38.487 -0.353 0.000 0.993 78 N HN 0.239 nan 8.380 nan 0.000 0.426 79 Y N 1.538 121.856 120.300 0.031 0.000 2.263 79 Y HA 0.037 4.587 4.550 0.000 0.000 0.292 79 Y C 2.388 178.335 175.900 0.078 0.000 1.130 79 Y CA 0.504 58.648 58.100 0.072 0.000 1.179 79 Y CB -0.481 38.044 38.460 0.108 0.000 0.998 79 Y HN -0.024 nan 8.280 nan 0.000 0.532 80 L N -0.916 120.409 121.223 0.171 0.000 2.083 80 L HA -0.233 4.108 4.340 0.000 0.000 0.209 80 L C 2.670 179.540 176.870 -0.001 0.000 1.083 80 L CA 1.043 55.902 54.840 0.031 0.000 0.752 80 L CB -0.881 41.159 42.059 -0.031 0.000 0.899 80 L HN 0.221 nan 8.230 nan 0.000 0.433 81 A N 0.487 123.303 122.820 -0.007 0.000 1.883 81 A HA -0.253 4.067 4.320 0.000 0.000 0.217 81 A C 2.330 179.907 177.584 -0.013 0.000 1.186 81 A CA 1.939 53.962 52.037 -0.023 0.000 0.624 81 A CB -0.416 18.559 19.000 -0.042 0.000 0.822 81 A HN 0.340 nan 8.150 nan 0.000 0.444 82 K N -0.474 119.925 120.400 -0.003 0.000 2.063 82 K HA -0.087 4.233 4.320 0.000 0.000 0.208 82 K C 1.881 178.500 176.600 0.031 0.000 1.048 82 K CA 1.511 57.808 56.287 0.016 0.000 0.928 82 K CB -0.419 32.106 32.500 0.043 0.000 0.713 82 K HN 0.488 nan 8.250 nan 0.000 0.442 83 L N 0.284 121.533 121.223 0.042 0.000 2.056 83 L HA -0.135 4.205 4.340 0.000 0.000 0.207 83 L C 2.399 179.267 176.870 -0.004 0.000 1.078 83 L CA 0.600 55.454 54.840 0.024 0.000 0.749 83 L CB -0.373 41.689 42.059 0.006 0.000 0.901 83 L HN 0.000 nan 8.230 nan 0.000 0.433 84 V N 0.480 120.384 119.914 -0.017 0.000 2.515 84 V HA -0.213 3.907 4.120 0.000 0.000 0.250 84 V C 2.151 178.239 176.094 -0.011 0.000 1.058 84 V CA 1.542 63.828 62.300 -0.022 0.000 1.064 84 V CB -0.466 31.338 31.823 -0.031 0.000 0.675 84 V HN 0.511 nan 8.190 nan 0.000 0.461 85 N N 0.300 118.996 118.700 -0.007 0.000 2.223 85 N HA -0.170 4.570 4.740 0.000 0.000 0.185 85 N C 1.552 177.063 175.510 0.002 0.000 1.016 85 N CA 1.206 54.254 53.050 -0.003 0.000 0.863 85 N CB -0.248 38.237 38.487 -0.004 0.000 0.983 85 N HN 0.641 nan 8.380 nan 0.000 0.429 86 Q N -0.518 119.286 119.800 0.007 0.000 2.246 86 Q HA 0.289 4.629 4.340 0.000 0.000 0.202 86 Q C 0.503 176.510 176.000 0.011 0.000 0.883 86 Q CA 0.094 55.904 55.803 0.012 0.000 0.952 86 Q CB 0.522 29.272 28.738 0.020 0.000 1.078 86 Q HN 0.318 nan 8.270 nan 0.000 0.493 87 G N 1.202 110.005 108.800 0.005 0.000 2.160 87 G HA2 -0.228 3.732 3.960 0.000 0.000 0.251 87 G HA3 -0.228 3.732 3.960 0.000 0.000 0.251 87 G C -0.249 174.656 174.900 0.007 0.000 1.008 87 G CA -0.100 45.003 45.100 0.006 0.000 0.724 87 G HN 0.225 nan 8.290 nan 0.000 0.514 88 E N 0.537 120.738 120.200 0.001 0.000 2.301 88 E HA 0.517 4.867 4.350 0.000 0.000 0.275 88 E C 0.263 176.846 176.600 -0.029 0.000 1.030 88 E CA -0.127 56.270 56.400 -0.005 0.000 0.852 88 E CB 1.458 31.156 29.700 -0.004 0.000 1.060 88 E HN 0.227 nan 8.360 nan 0.000 0.401 89 S N 0.762 116.444 115.700 -0.029 0.000 2.617 89 S HA 0.542 5.012 4.470 0.000 0.000 0.283 89 S C -0.309 174.213 174.600 -0.130 0.000 1.189 89 S CA -0.761 57.402 58.200 -0.062 0.000 1.036 89 S CB 1.266 64.457 63.200 -0.014 0.000 1.014 89 S HN 0.251 nan 8.310 nan 0.000 0.522 90 V N 1.628 121.411 119.914 -0.218 0.000 2.532 90 V HA 0.523 4.643 4.120 0.000 0.000 0.294 90 V C -0.081 175.795 176.094 -0.362 0.000 1.036 90 V CA -1.055 61.026 62.300 -0.365 0.000 0.876 90 V CB 1.179 32.611 31.823 -0.653 0.000 1.012 90 V HN 1.009 nan 8.190 nan 0.000 0.432 91 A N 6.541 129.166 122.820 -0.324 0.000 2.444 91 A HA 0.603 4.923 4.320 0.000 0.000 0.273 91 A C -0.073 177.356 177.584 -0.259 0.000 1.136 91 A CA -0.043 51.774 52.037 -0.366 0.000 0.799 91 A CB -0.197 18.474 19.000 -0.547 0.000 1.081 91 A HN 0.623 nan 8.150 nan 0.000 0.509 92 I N 2.810 123.249 120.570 -0.219 0.000 2.325 92 I HA 0.195 4.365 4.170 0.000 0.000 0.291 92 I C 0.304 176.424 176.117 0.006 0.000 1.019 92 I CA -0.468 60.771 61.300 -0.103 0.000 1.302 92 I CB 0.427 38.354 38.000 -0.122 0.000 1.401 92 I HN 0.661 nan 8.210 nan 0.000 0.485 93 C N 7.971 127.347 119.300 0.127 0.000 2.298 93 C HA 0.592 5.052 4.460 0.000 0.000 0.323 93 C C 0.077 175.148 174.990 0.135 0.000 1.284 93 C CA -0.292 58.799 59.018 0.121 0.000 1.577 93 C CB 0.457 28.300 27.740 0.171 0.000 2.249 93 C HN 0.796 nan 8.230 nan 0.000 0.497 94 E N 3.134 123.377 120.200 0.072 0.000 2.264 94 E HA 0.339 4.689 4.350 0.000 0.000 0.260 94 E C -0.838 175.735 176.600 -0.045 0.000 0.961 94 E CA -0.509 55.911 56.400 0.033 0.000 0.834 94 E CB 1.250 30.980 29.700 0.050 0.000 1.230 94 E HN 0.727 nan 8.360 nan 0.000 0.412 95 Q N 1.011 120.763 119.800 -0.081 0.000 2.288 95 Q HA 0.200 4.540 4.340 0.000 0.000 0.258 95 Q C 0.752 176.722 176.000 -0.049 0.000 0.957 95 Q CA -0.230 55.524 55.803 -0.083 0.000 0.919 95 Q CB 1.060 29.735 28.738 -0.105 0.000 1.185 95 Q HN 0.372 nan 8.270 nan 0.000 0.408 96 I N 1.069 121.622 120.570 -0.030 0.000 2.810 96 I HA 0.077 4.247 4.170 0.000 0.000 0.262 96 I C 1.250 177.357 176.117 -0.017 0.000 1.131 96 I CA 0.706 61.997 61.300 -0.016 0.000 1.453 96 I CB -1.006 36.993 38.000 -0.002 0.000 1.161 96 I HN 0.626 nan 8.210 nan 0.000 0.444 97 G N 0.590 109.381 108.800 -0.015 0.000 2.588 97 G HA2 0.156 4.116 3.960 0.000 0.000 0.278 97 G HA3 0.156 4.116 3.960 0.000 0.000 0.278 97 G C -0.951 173.937 174.900 -0.020 0.000 1.307 97 G CA -0.016 45.077 45.100 -0.011 0.000 1.016 97 G HN 0.205 nan 8.290 nan 0.000 0.503 98 D N -0.904 119.487 120.400 -0.015 0.000 2.280 98 D HA 0.390 5.030 4.640 0.000 0.000 0.236 98 D C -1.433 174.858 176.300 -0.014 0.000 1.082 98 D CA -2.186 51.802 54.000 -0.019 0.000 0.834 98 D CB 1.933 42.723 40.800 -0.017 0.000 1.100 98 D HN -0.075 nan 8.370 nan 0.000 0.486 99 P HA -0.087 nan 4.420 nan 0.000 0.216 99 P C 0.890 178.186 177.300 -0.007 0.000 1.150 99 P CA 1.152 64.245 63.100 -0.012 0.000 0.837 99 P CB 0.142 31.832 31.700 -0.017 0.000 0.786 100 A N -0.597 122.217 122.820 -0.010 0.000 2.067 100 A HA -0.077 4.243 4.320 0.000 0.000 0.219 100 A C 1.784 179.366 177.584 -0.003 0.000 1.158 100 A CA 1.947 53.980 52.037 -0.007 0.000 0.661 100 A CB -1.451 17.543 19.000 -0.010 0.000 0.801 100 A HN 0.355 nan 8.150 nan 0.000 0.452 101 T N -3.463 111.089 114.554 -0.003 0.000 3.215 101 T HA 0.416 4.766 4.350 0.000 0.000 0.271 101 T C 0.052 174.754 174.700 0.004 0.000 1.012 101 T CA 0.034 62.134 62.100 0.000 0.000 0.899 101 T CB 0.009 68.877 68.868 -0.001 0.000 1.089 101 T HN 0.037 nan 8.240 nan 0.000 0.552 102 S N 1.098 116.801 115.700 0.005 0.000 2.552 102 S HA 0.447 4.917 4.470 0.000 0.000 0.314 102 S C 0.729 175.337 174.600 0.013 0.000 1.099 102 S CA -0.945 57.262 58.200 0.010 0.000 1.070 102 S CB 2.424 65.631 63.200 0.011 0.000 0.998 102 S HN 0.377 nan 8.310 nan 0.000 0.474 103 K N 3.125 123.534 120.400 0.016 0.000 1.991 103 K HA 0.081 4.401 4.320 0.000 0.000 0.207 103 K C 1.258 177.869 176.600 0.020 0.000 1.045 103 K CA 1.053 57.349 56.287 0.016 0.000 0.937 103 K CB -0.494 32.016 32.500 0.017 0.000 0.720 103 K HN 0.732 nan 8.250 nan 0.000 0.438 104 G N 0.864 109.679 108.800 0.026 0.000 2.516 104 G HA2 0.223 4.183 3.960 0.000 0.000 0.276 104 G HA3 0.223 4.183 3.960 0.000 0.000 0.276 104 G C -2.346 172.575 174.900 0.036 0.000 1.390 104 G CA -1.037 44.083 45.100 0.033 0.000 1.050 104 G HN 0.152 nan 8.290 nan 0.000 0.519 105 P HA 0.089 nan 4.420 nan 0.000 0.264 105 P C 0.261 177.590 177.300 0.049 0.000 1.183 105 P CA -0.302 62.833 63.100 0.059 0.000 0.763 105 P CB 0.651 32.408 31.700 0.094 0.000 0.807 106 V N 3.336 123.269 119.914 0.032 0.000 2.788 106 V HA -0.079 4.041 4.120 0.000 0.000 0.307 106 V C 0.836 176.943 176.094 0.021 0.000 1.069 106 V CA 0.023 62.333 62.300 0.015 0.000 1.173 106 V CB 0.131 31.949 31.823 -0.008 0.000 0.925 106 V HN 0.620 nan 8.190 nan 0.000 0.492 107 E N 6.141 126.353 120.200 0.019 0.000 2.452 107 E HA 0.123 4.473 4.350 0.000 0.000 0.261 107 E C -0.351 176.255 176.600 0.011 0.000 0.987 107 E CA 0.057 56.472 56.400 0.027 0.000 0.926 107 E CB 0.434 30.147 29.700 0.022 0.000 0.934 107 E HN 0.635 nan 8.360 nan 0.000 0.452 108 R N 3.634 124.150 120.500 0.027 0.000 2.574 108 R HA 0.371 4.711 4.340 0.000 0.000 0.288 108 R C -0.840 175.485 176.300 0.042 0.000 1.004 108 R CA -0.783 55.321 56.100 0.006 0.000 0.895 108 R CB 1.903 32.182 30.300 -0.036 0.000 1.191 108 R HN 0.410 nan 8.270 nan 0.000 0.444 109 K N 1.300 121.720 120.400 0.034 0.000 2.267 109 K HA 0.403 4.723 4.320 0.000 0.000 0.246 109 K C -0.556 176.078 176.600 0.056 0.000 0.954 109 K CA -0.887 55.431 56.287 0.051 0.000 0.824 109 K CB 2.597 35.119 32.500 0.036 0.000 1.167 109 K HN 0.156 nan 8.250 nan 0.000 0.431 110 V N 3.335 123.294 119.914 0.075 0.000 2.479 110 V HA -0.031 4.089 4.120 0.000 0.000 0.281 110 V C 1.130 177.232 176.094 0.014 0.000 1.031 110 V CA 0.102 62.425 62.300 0.039 0.000 1.038 110 V CB 0.764 32.616 31.823 0.048 0.000 0.981 110 V HN 0.750 nan 8.190 nan 0.000 0.478 111 V N 2.891 122.802 119.914 -0.005 0.000 3.523 111 V HA 0.393 4.513 4.120 0.000 0.000 0.255 111 V C 0.650 176.721 176.094 -0.037 0.000 1.226 111 V CA 0.388 62.683 62.300 -0.008 0.000 1.092 111 V CB -0.352 31.477 31.823 0.010 0.000 0.817 111 V HN 0.921 nan 8.190 nan 0.000 0.458 112 R N -0.005 120.453 120.500 -0.070 0.000 2.747 112 R HA 0.714 5.054 4.340 0.000 0.000 0.272 112 R C -1.903 174.298 176.300 -0.164 0.000 1.032 112 R CA -1.009 55.029 56.100 -0.104 0.000 0.896 112 R CB 1.672 31.920 30.300 -0.087 0.000 1.253 112 R HN 0.161 nan 8.270 nan 0.000 0.461 113 I N 1.405 121.866 120.570 -0.183 0.000 2.497 113 I HA 0.235 4.405 4.170 0.000 0.000 0.284 113 I C -0.568 175.439 176.117 -0.183 0.000 1.060 113 I CA -1.186 59.981 61.300 -0.222 0.000 1.071 113 I CB 2.385 40.233 38.000 -0.252 0.000 1.216 113 I HN 0.284 nan 8.210 nan 0.000 0.442 114 V N 5.172 124.976 119.914 -0.184 0.000 2.470 114 V HA 0.352 4.472 4.120 0.000 0.000 0.276 114 V C 0.620 176.648 176.094 -0.109 0.000 1.040 114 V CA 0.064 62.279 62.300 -0.142 0.000 1.008 114 V CB 0.880 32.605 31.823 -0.163 0.000 0.990 114 V HN 0.887 nan 8.190 nan 0.000 0.477 115 T N 2.806 117.326 114.554 -0.057 0.000 2.901 115 T HA 0.507 4.857 4.350 0.000 0.000 0.293 115 T C -2.242 172.464 174.700 0.009 0.000 1.084 115 T CA -2.160 59.940 62.100 0.001 0.000 1.008 115 T CB 2.411 71.336 68.868 0.095 0.000 1.170 115 T HN 0.283 nan 8.240 nan 0.000 0.509 116 P HA 0.078 nan 4.420 nan 0.000 0.219 116 P C 1.349 178.652 177.300 0.005 0.000 1.146 116 P CA 1.138 64.240 63.100 0.003 0.000 0.808 116 P CB -0.175 31.527 31.700 0.004 0.000 0.779 117 G N -1.975 106.838 108.800 0.021 0.000 3.126 117 G HA2 0.014 3.975 3.960 0.000 0.000 0.224 117 G HA3 0.014 3.975 3.960 0.000 0.000 0.224 117 G C 0.718 175.627 174.900 0.014 0.000 1.142 117 G CA 0.456 45.562 45.100 0.011 0.000 0.759 117 G HN 0.338 nan 8.290 nan 0.000 0.550 118 T N -1.062 113.504 114.554 0.019 0.000 3.200 118 T HA 0.381 4.731 4.350 0.000 0.000 0.284 118 T C 0.787 175.474 174.700 -0.021 0.000 1.009 118 T CA -0.557 61.544 62.100 0.000 0.000 0.907 118 T CB -0.373 68.496 68.868 0.001 0.000 1.120 118 T HN 0.304 nan 8.240 nan 0.000 0.534 119 I N 0.075 120.632 120.570 -0.021 0.000 2.581 119 I HA 0.668 4.838 4.170 0.000 0.000 0.288 119 I C 0.798 176.899 176.117 -0.027 0.000 1.047 119 I CA -0.597 60.685 61.300 -0.030 0.000 1.374 119 I CB 1.352 39.334 38.000 -0.030 0.000 1.423 119 I HN 0.142 nan 8.210 nan 0.000 0.549 120 S N 0.927 116.606 115.700 -0.034 0.000 2.820 120 S HA 0.249 4.719 4.470 0.000 0.000 0.265 120 S C -0.101 174.474 174.600 -0.041 0.000 1.043 120 S CA -0.576 57.602 58.200 -0.037 0.000 1.245 120 S CB -0.114 63.057 63.200 -0.049 0.000 1.187 120 S HN 0.725 nan 8.310 nan 0.000 0.673 121 D N 2.425 122.803 120.400 -0.036 0.000 2.256 121 D HA 0.217 4.857 4.640 0.000 0.000 0.250 121 D C 0.833 177.116 176.300 -0.027 0.000 1.093 121 D CA -0.121 53.861 54.000 -0.031 0.000 0.882 121 D CB 1.517 42.301 40.800 -0.027 0.000 1.185 121 D HN 0.296 nan 8.370 nan 0.000 0.437 122 E N 1.970 122.155 120.200 -0.025 0.000 2.118 122 E HA -0.234 4.116 4.350 0.000 0.000 0.195 122 E C 1.553 178.140 176.600 -0.022 0.000 0.992 122 E CA 0.970 57.356 56.400 -0.023 0.000 0.804 122 E CB 0.208 29.895 29.700 -0.022 0.000 0.741 122 E HN 0.535 nan 8.360 nan 0.000 0.458 123 A N 0.536 123.343 122.820 -0.022 0.000 2.014 123 A HA -0.061 4.259 4.320 0.000 0.000 0.218 123 A C 1.987 179.556 177.584 -0.025 0.000 1.163 123 A CA 0.661 52.684 52.037 -0.024 0.000 0.652 123 A CB -0.237 18.748 19.000 -0.025 0.000 0.808 123 A HN 0.250 nan 8.150 nan 0.000 0.449 124 L N -1.024 120.184 121.223 -0.025 0.000 2.591 124 L HA 0.255 4.595 4.340 0.000 0.000 0.228 124 L C 0.059 176.916 176.870 -0.022 0.000 1.133 124 L CA -0.033 54.792 54.840 -0.025 0.000 0.880 124 L CB -0.375 41.667 42.059 -0.029 0.000 1.033 124 L HN 0.229 nan 8.230 nan 0.000 0.450 125 L N -0.691 120.519 121.223 -0.021 0.000 2.303 125 L HA 0.385 4.725 4.340 0.000 0.000 0.266 125 L C -0.082 176.778 176.870 -0.016 0.000 1.011 125 L CA -0.582 54.248 54.840 -0.018 0.000 0.818 125 L CB 1.660 43.708 42.059 -0.018 0.000 1.326 125 L HN -0.022 nan 8.230 nan 0.000 0.435 126 Q N 0.992 120.784 119.800 -0.014 0.000 2.257 126 Q HA 0.199 4.539 4.340 0.000 0.000 0.255 126 Q C 0.165 176.158 176.000 -0.012 0.000 0.920 126 Q CA -0.455 55.340 55.803 -0.012 0.000 0.927 126 Q CB 2.166 30.899 28.738 -0.009 0.000 1.229 126 Q HN 0.590 nan 8.270 nan 0.000 0.433 127 E N 1.742 121.934 120.200 -0.013 0.000 2.049 127 E HA -0.199 4.151 4.350 0.000 0.000 0.198 127 E C 0.724 177.316 176.600 -0.013 0.000 1.007 127 E CA 1.237 57.629 56.400 -0.014 0.000 0.809 127 E CB 0.188 29.880 29.700 -0.014 0.000 0.749 127 E HN 0.388 nan 8.360 nan 0.000 0.450 128 R N 0.403 120.897 120.500 -0.010 0.000 2.515 128 R HA 0.190 4.530 4.340 0.000 0.000 0.294 128 R C 0.029 176.326 176.300 -0.004 0.000 1.021 128 R CA 0.063 56.157 56.100 -0.009 0.000 1.081 128 R CB 0.579 30.875 30.300 -0.007 0.000 1.263 128 R HN 0.183 nan 8.270 nan 0.000 0.557 129 Q N 0.582 120.379 119.800 -0.004 0.000 2.285 129 Q HA 0.208 4.548 4.340 0.000 0.000 0.269 129 Q C -1.276 174.721 176.000 -0.003 0.000 1.030 129 Q CA -0.748 55.054 55.803 -0.001 0.000 0.788 129 Q CB 2.580 31.317 28.738 -0.001 0.000 1.266 129 Q HN 0.030 nan 8.270 nan 0.000 0.438 130 D N 1.611 122.011 120.400 -0.001 0.000 2.400 130 D HA 0.024 4.664 4.640 0.000 0.000 0.238 130 D C -0.438 175.859 176.300 -0.005 0.000 1.157 130 D CA 0.666 54.666 54.000 -0.000 0.000 0.889 130 D CB 0.689 41.492 40.800 0.005 0.000 1.199 130 D HN 0.380 nan 8.370 nan 0.000 0.436 131 N N 1.590 120.287 118.700 -0.005 0.000 2.576 131 N HA 0.286 5.026 4.740 0.000 0.000 0.269 131 N C -1.401 174.103 175.510 -0.011 0.000 1.058 131 N CA -0.360 52.685 53.050 -0.008 0.000 0.860 131 N CB 0.556 39.037 38.487 -0.010 0.000 1.249 131 N HN 0.197 nan 8.380 nan 0.000 0.525 132 L N 2.292 123.508 121.223 -0.012 0.000 2.325 132 L HA 0.552 4.892 4.340 0.000 0.000 0.278 132 L C -0.473 176.378 176.870 -0.031 0.000 1.023 132 L CA -1.273 53.554 54.840 -0.021 0.000 0.811 132 L CB 1.525 43.577 42.059 -0.011 0.000 1.249 132 L HN 0.362 nan 8.230 nan 0.000 0.431 133 L N 3.099 124.291 121.223 -0.052 0.000 2.305 133 L HA 0.733 5.073 4.340 0.000 0.000 0.281 133 L C -0.112 176.693 176.870 -0.108 0.000 1.085 133 L CA 0.290 55.087 54.840 -0.072 0.000 0.813 133 L CB 1.140 43.157 42.059 -0.068 0.000 1.157 133 L HN 0.711 nan 8.230 nan 0.000 0.436 134 A N 4.098 126.849 122.820 -0.115 0.000 2.430 134 A HA 0.997 5.317 4.320 0.000 0.000 0.300 134 A C -1.217 176.290 177.584 -0.128 0.000 1.124 134 A CA -0.179 51.748 52.037 -0.185 0.000 0.766 134 A CB 1.560 20.456 19.000 -0.172 0.000 1.328 134 A HN 1.145 nan 8.150 nan 0.000 0.424 135 A N 0.356 123.103 122.820 -0.122 0.000 2.449 135 A HA 0.775 5.095 4.320 0.000 0.000 0.302 135 A C -1.023 176.717 177.584 0.259 0.000 1.048 135 A CA -0.333 51.738 52.037 0.056 0.000 0.708 135 A CB 0.962 19.956 19.000 -0.010 0.000 1.274 135 A HN 1.346 nan 8.150 nan 0.000 0.410 136 I N 2.012 122.837 120.570 0.425 0.000 2.730 136 I HA 0.789 4.959 4.170 0.000 0.000 0.298 136 I C -1.706 174.775 176.117 0.606 0.000 1.089 136 I CA -0.750 60.863 61.300 0.521 0.000 1.041 136 I CB 1.786 39.970 38.000 0.306 0.000 1.235 136 I HN 0.872 nan 8.210 nan 0.000 0.423 137 W N 8.137 129.708 121.300 0.452 0.000 3.256 137 W HA 0.458 5.118 4.660 0.000 0.000 0.324 137 W C -2.387 174.366 176.519 0.391 0.000 1.196 137 W CA -0.579 56.935 57.345 0.283 0.000 1.206 137 W CB 1.774 31.361 29.460 0.212 0.000 1.385 137 W HN 0.646 nan 8.180 nan 0.000 0.522 138 Q N 3.715 123.223 119.800 -0.487 0.000 2.365 138 Q HA 0.344 4.684 4.340 0.000 0.000 0.269 138 Q C -1.536 173.695 176.000 -1.282 0.000 1.061 138 Q CA -0.353 54.928 55.803 -0.870 0.000 0.816 138 Q CB 2.628 30.834 28.738 -0.887 0.000 1.325 138 Q HN 0.462 nan 8.270 nan 0.000 0.446 139 D N -0.198 119.601 120.400 -1.003 0.000 2.506 139 D HA 0.322 4.962 4.640 0.000 0.000 0.254 139 D C 0.426 176.422 176.300 -0.507 0.000 1.089 139 D CA -0.374 53.203 54.000 -0.705 0.000 1.050 139 D CB 1.901 42.440 40.800 -0.434 0.000 1.221 139 D HN 0.574 nan 8.370 nan 0.000 0.589 140 S N -0.217 115.291 115.700 -0.319 0.000 2.419 140 S HA -0.125 4.345 4.470 0.000 0.000 0.233 140 S C 0.986 175.443 174.600 -0.239 0.000 1.016 140 S CA 1.189 59.247 58.200 -0.238 0.000 0.974 140 S CB -0.012 63.103 63.200 -0.142 0.000 0.786 140 S HN 0.437 nan 8.310 nan 0.000 0.492 141 K N 0.212 120.465 120.400 -0.246 0.000 2.477 141 K HA 0.480 4.800 4.320 0.000 0.000 0.208 141 K C 0.681 177.139 176.600 -0.237 0.000 1.117 141 K CA 0.134 56.302 56.287 -0.197 0.000 1.039 141 K CB 1.523 33.956 32.500 -0.113 0.000 0.937 141 K HN 0.307 nan 8.250 nan 0.000 0.570 142 G N 0.517 109.077 108.800 -0.400 0.000 2.356 142 G HA2 0.347 4.308 3.960 0.000 0.000 0.281 142 G HA3 0.347 4.308 3.960 0.000 0.000 0.281 142 G C -1.966 172.513 174.900 -0.702 0.000 1.246 142 G CA -0.942 43.893 45.100 -0.441 0.000 0.889 142 G HN -0.018 nan 8.290 nan 0.000 0.486 143 F N 0.246 120.176 119.950 -0.032 0.000 2.563 143 F HA 0.720 5.247 4.527 0.000 0.000 0.316 143 F C 0.743 176.656 175.800 0.187 0.000 1.076 143 F CA -0.179 57.841 58.000 0.034 0.000 0.921 143 F CB 2.684 41.721 39.000 0.061 0.000 1.209 143 F HN 0.711 nan 8.300 nan 0.000 0.462 144 G N 1.015 110.149 108.800 0.557 0.000 2.416 144 G HA2 0.541 4.501 3.960 0.000 0.000 0.329 144 G HA3 0.541 4.501 3.960 0.000 0.000 0.329 144 G C -2.522 172.749 174.900 0.619 0.000 1.173 144 G CA -0.546 44.917 45.100 0.604 0.000 0.929 144 G HN 0.517 nan 8.290 nan 0.000 0.475 145 Y N 0.779 121.255 120.300 0.293 0.000 2.513 145 Y HA 0.687 5.237 4.550 0.000 0.000 0.340 145 Y C -0.614 175.386 175.900 0.165 0.000 1.055 145 Y CA -1.031 57.202 58.100 0.221 0.000 1.020 145 Y CB 2.259 40.813 38.460 0.156 0.000 1.301 145 Y HN 0.925 nan 8.280 nan 0.000 0.453 146 A N 2.829 125.437 122.820 -0.352 0.000 2.520 146 A HA 0.786 5.106 4.320 0.000 0.000 0.298 146 A C -1.038 176.312 177.584 -0.390 0.000 1.051 146 A CA -0.256 51.649 52.037 -0.220 0.000 0.690 146 A CB 1.274 20.285 19.000 0.019 0.000 1.281 146 A HN 0.899 nan 8.150 nan 0.000 0.402 147 T N -0.804 113.646 114.554 -0.173 0.000 2.907 147 T HA 0.745 5.095 4.350 0.000 0.000 0.292 147 T C -0.988 173.721 174.700 0.014 0.000 1.043 147 T CA -0.654 61.366 62.100 -0.133 0.000 1.003 147 T CB 1.471 70.270 68.868 -0.115 0.000 1.084 147 T HN 1.544 nan 8.240 nan 0.000 0.483 148 L N 1.618 122.792 121.223 -0.081 0.000 2.470 148 L HA 0.622 4.962 4.340 0.000 0.000 0.268 148 L C -1.641 175.172 176.870 -0.095 0.000 0.964 148 L CA -0.410 54.343 54.840 -0.145 0.000 0.839 148 L CB 2.176 44.012 42.059 -0.371 0.000 1.276 148 L HN 0.846 nan 8.230 nan 0.000 0.403 149 D N 4.453 124.818 120.400 -0.059 0.000 2.428 149 D HA 0.145 4.785 4.640 0.000 0.000 0.221 149 D C 0.922 177.204 176.300 -0.030 0.000 1.123 149 D CA 0.035 54.018 54.000 -0.028 0.000 0.869 149 D CB 0.894 41.697 40.800 0.005 0.000 1.032 149 D HN 0.696 nan 8.370 nan 0.000 0.506 150 I N 2.860 123.415 120.570 -0.025 0.000 2.676 150 I HA -0.150 4.020 4.170 0.000 0.000 0.259 150 I C 1.334 177.544 176.117 0.155 0.000 1.194 150 I CA 0.796 62.109 61.300 0.023 0.000 1.473 150 I CB 0.230 38.233 38.000 0.005 0.000 1.096 150 I HN 0.360 nan 8.210 nan 0.000 0.443 151 S N -1.512 114.230 115.700 0.070 0.000 2.573 151 S HA 0.176 4.646 4.470 0.000 0.000 0.244 151 S C 0.959 175.592 174.600 0.056 0.000 0.984 151 S CA 0.170 58.394 58.200 0.040 0.000 1.001 151 S CB -0.022 63.175 63.200 -0.004 0.000 0.788 151 S HN 0.509 nan 8.310 nan 0.000 0.456 152 S N -1.096 114.677 115.700 0.122 0.000 2.364 152 S HA 0.443 4.913 4.470 0.000 0.000 0.274 152 S C 1.390 176.084 174.600 0.157 0.000 1.016 152 S CA 0.640 58.910 58.200 0.117 0.000 1.332 152 S CB -0.314 62.923 63.200 0.061 0.000 1.056 152 S HN 1.629 nan 8.310 nan 0.000 0.525 153 G N 1.898 110.752 108.800 0.091 0.000 2.175 153 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 153 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 153 G C -0.015 174.872 174.900 -0.022 0.000 0.982 153 G CA 0.124 45.176 45.100 -0.080 0.000 0.641 153 G HN 0.739 nan 8.290 nan 0.000 0.527 154 R N 0.193 120.707 120.500 0.024 0.000 2.404 154 R HA 0.454 4.794 4.340 0.000 0.000 0.315 154 R C -0.988 175.377 176.300 0.109 0.000 1.032 154 R CA -0.348 55.790 56.100 0.064 0.000 0.992 154 R CB -0.138 30.200 30.300 0.062 0.000 0.959 154 R HN 0.054 nan 8.270 nan 0.000 0.428 155 F N 5.588 125.506 119.950 -0.053 0.000 2.496 155 F HA 0.484 5.011 4.527 0.000 0.000 0.341 155 F C -0.899 174.866 175.800 -0.058 0.000 1.134 155 F CA -1.189 56.776 58.000 -0.060 0.000 0.968 155 F CB 0.940 39.911 39.000 -0.049 0.000 1.205 155 F HN 0.464 nan 8.300 nan 0.000 0.436 156 R N 5.273 125.894 120.500 0.203 0.000 2.854 156 R HA 0.682 5.022 4.340 0.000 0.000 0.271 156 R C -1.505 174.778 176.300 -0.029 0.000 0.996 156 R CA -1.047 55.069 56.100 0.026 0.000 0.961 156 R CB 2.614 32.948 30.300 0.057 0.000 1.182 156 R HN 0.824 nan 8.270 nan 0.000 0.479 157 L N -0.183 121.016 121.223 -0.040 0.000 2.455 157 L HA 0.671 5.011 4.340 0.000 0.000 0.264 157 L C -0.960 175.947 176.870 0.062 0.000 0.968 157 L CA -0.241 54.590 54.840 -0.015 0.000 0.827 157 L CB 2.189 44.194 42.059 -0.090 0.000 1.317 157 L HN 0.869 nan 8.230 nan 0.000 0.407 158 S N 1.969 117.752 115.700 0.139 0.000 2.671 158 S HA 0.609 5.079 4.470 0.000 0.000 0.277 158 S C -0.994 173.730 174.600 0.206 0.000 1.165 158 S CA -0.831 57.467 58.200 0.163 0.000 0.822 158 S CB 2.078 65.391 63.200 0.188 0.000 1.150 158 S HN 0.753 nan 8.310 nan 0.000 0.479 159 E N 0.844 121.149 120.200 0.176 0.000 3.626 159 E HA 0.296 4.646 4.350 0.000 0.000 0.245 159 E C -2.876 173.828 176.600 0.174 0.000 1.236 159 E CA -1.538 54.980 56.400 0.195 0.000 1.072 159 E CB 0.982 30.775 29.700 0.154 0.000 1.309 159 E HN 0.386 nan 8.360 nan 0.000 0.400 160 P HA -0.058 nan 4.420 nan 0.000 0.265 160 P C 0.395 177.822 177.300 0.210 0.000 1.193 160 P CA 0.271 63.454 63.100 0.137 0.000 0.765 160 P CB 1.013 32.740 31.700 0.046 0.000 0.823 161 A N 2.816 125.723 122.820 0.144 0.000 2.072 161 A HA 0.066 4.386 4.320 0.000 0.000 0.216 161 A C 0.540 178.215 177.584 0.150 0.000 1.156 161 A CA 1.220 53.331 52.037 0.123 0.000 0.701 161 A CB -0.540 18.504 19.000 0.074 0.000 0.816 161 A HN 0.673 nan 8.150 nan 0.000 0.458 162 D N -3.988 116.537 120.400 0.208 0.000 2.677 162 D HA 0.236 4.876 4.640 0.000 0.000 0.298 162 D C 0.602 177.040 176.300 0.229 0.000 1.250 162 D CA -0.714 53.413 54.000 0.213 0.000 0.888 162 D CB 0.266 41.124 40.800 0.097 0.000 1.397 162 D HN -0.136 nan 8.370 nan 0.000 0.461 163 R N -0.451 120.158 120.500 0.180 0.000 2.073 163 R HA -0.126 4.214 4.340 0.000 0.000 0.234 163 R C 1.329 177.579 176.300 -0.084 0.000 1.134 163 R CA 1.472 57.590 56.100 0.031 0.000 0.952 163 R CB -0.067 30.260 30.300 0.045 0.000 0.850 163 R HN 0.508 nan 8.270 nan 0.000 0.433 164 E N -0.321 119.867 120.200 -0.020 0.000 2.106 164 E HA -0.117 4.233 4.350 0.000 0.000 0.192 164 E C 1.978 178.544 176.600 -0.057 0.000 0.984 164 E CA 1.602 57.987 56.400 -0.025 0.000 0.806 164 E CB -0.340 29.383 29.700 0.037 0.000 0.750 164 E HN 0.390 nan 8.360 nan 0.000 0.458 165 T N 1.621 116.149 114.554 -0.043 0.000 2.720 165 T HA -0.190 4.160 4.350 0.000 0.000 0.268 165 T C 1.892 176.500 174.700 -0.153 0.000 1.037 165 T CA 1.642 63.701 62.100 -0.068 0.000 1.144 165 T CB -0.199 68.658 68.868 -0.018 0.000 0.864 165 T HN 0.026 nan 8.240 nan 0.000 0.444 166 M N 1.762 121.211 119.600 -0.252 0.000 2.086 166 M HA 0.047 4.527 4.480 0.000 0.000 0.261 166 M C 2.398 178.473 176.300 -0.376 0.000 1.067 166 M CA 1.575 56.606 55.300 -0.448 0.000 1.116 166 M CB -0.893 31.147 32.600 -0.934 0.000 1.348 166 M HN 0.228 nan 8.290 nan 0.000 0.407 167 A N -0.339 122.315 122.820 -0.277 0.000 1.917 167 A HA -0.075 4.245 4.320 0.000 0.000 0.219 167 A C 2.362 179.851 177.584 -0.159 0.000 1.182 167 A CA 2.371 54.293 52.037 -0.193 0.000 0.633 167 A CB -1.511 17.413 19.000 -0.126 0.000 0.819 167 A HN 0.652 nan 8.150 nan 0.000 0.448 168 A N -0.851 121.888 122.820 -0.135 0.000 1.930 168 A HA -0.121 4.199 4.320 0.000 0.000 0.217 168 A C 1.968 179.483 177.584 -0.115 0.000 1.175 168 A CA 1.594 53.571 52.037 -0.100 0.000 0.627 168 A CB -0.375 18.576 19.000 -0.083 0.000 0.815 168 A HN 0.487 nan 8.150 nan 0.000 0.443 169 E N 0.092 120.185 120.200 -0.178 0.000 2.072 169 E HA -0.123 4.227 4.350 0.000 0.000 0.191 169 E C 2.029 178.490 176.600 -0.231 0.000 0.985 169 E CA 0.915 57.193 56.400 -0.204 0.000 0.801 169 E CB -0.381 29.120 29.700 -0.332 0.000 0.750 169 E HN 0.679 nan 8.360 nan 0.000 0.452 170 L N 0.738 121.776 121.223 -0.308 0.000 2.131 170 L HA -0.191 4.149 4.340 0.000 0.000 0.210 170 L C 2.767 179.577 176.870 -0.100 0.000 1.092 170 L CA 1.070 55.789 54.840 -0.201 0.000 0.759 170 L CB -0.309 41.624 42.059 -0.209 0.000 0.903 170 L HN 0.158 nan 8.230 nan 0.000 0.435 171 Q N 0.136 119.876 119.800 -0.101 0.000 2.083 171 Q HA -0.218 4.122 4.340 0.000 0.000 0.198 171 Q C 2.383 178.324 176.000 -0.098 0.000 0.969 171 Q CA 1.241 57.001 55.803 -0.072 0.000 0.838 171 Q CB 0.122 28.831 28.738 -0.049 0.000 0.900 171 Q HN 0.361 nan 8.270 nan 0.000 0.436 172 R N -0.209 120.231 120.500 -0.099 0.000 2.075 172 R HA -0.107 4.233 4.340 0.000 0.000 0.232 172 R C 2.183 178.375 176.300 -0.179 0.000 1.126 172 R CA 1.969 57.965 56.100 -0.173 0.000 0.963 172 R CB -0.181 30.095 30.300 -0.040 0.000 0.858 172 R HN 0.356 nan 8.270 nan 0.000 0.435 173 T N -2.122 112.405 114.554 -0.045 0.000 3.035 173 T HA -0.041 4.309 4.350 0.000 0.000 0.259 173 T C 0.754 175.455 174.700 0.003 0.000 1.078 173 T CA 0.486 62.599 62.100 0.021 0.000 1.132 173 T CB -0.300 68.672 68.868 0.174 0.000 0.900 173 T HN 0.406 nan 8.240 nan 0.000 0.480 174 N N 2.426 121.119 118.700 -0.011 0.000 2.686 174 N HA -0.096 4.644 4.740 0.000 0.000 0.261 174 N C -2.614 172.899 175.510 0.005 0.000 1.001 174 N CA 0.333 53.373 53.050 -0.018 0.000 0.764 174 N CB -0.921 37.538 38.487 -0.046 0.000 0.898 174 N HN 0.378 nan 8.380 nan 0.000 0.544 175 P HA 0.099 nan 4.420 nan 0.000 0.268 175 P C 0.417 177.720 177.300 0.005 0.000 1.205 175 P CA 0.290 63.406 63.100 0.027 0.000 0.771 175 P CB 0.803 32.538 31.700 0.058 0.000 0.858 176 A N 2.541 125.358 122.820 -0.004 0.000 2.119 176 A HA -0.041 4.279 4.320 0.000 0.000 0.216 176 A C 0.895 178.473 177.584 -0.010 0.000 1.152 176 A CA 1.034 53.067 52.037 -0.007 0.000 0.708 176 A CB -0.374 18.622 19.000 -0.008 0.000 0.805 176 A HN 0.684 nan 8.150 nan 0.000 0.460 177 E N -0.806 119.383 120.200 -0.019 0.000 2.321 177 E HA 0.547 4.897 4.350 0.000 0.000 0.278 177 E C -2.047 174.517 176.600 -0.059 0.000 0.902 177 E CA -0.515 55.862 56.400 -0.038 0.000 0.758 177 E CB 1.428 31.105 29.700 -0.039 0.000 1.213 177 E HN 0.164 nan 8.360 nan 0.000 0.426 178 L N 6.479 127.669 121.223 -0.055 0.000 2.415 178 L HA 0.442 4.782 4.340 0.000 0.000 0.268 178 L C -1.397 175.461 176.870 -0.021 0.000 0.984 178 L CA -0.716 54.111 54.840 -0.022 0.000 0.853 178 L CB 0.927 42.993 42.059 0.011 0.000 1.215 178 L HN 0.587 nan 8.230 nan 0.000 0.419 179 L N 5.844 127.019 121.223 -0.080 0.000 2.281 179 L HA 0.370 4.710 4.340 0.000 0.000 0.285 179 L C -0.639 176.331 176.870 0.166 0.000 1.074 179 L CA -0.474 54.314 54.840 -0.087 0.000 0.817 179 L CB 0.582 42.482 42.059 -0.264 0.000 1.168 179 L HN 0.476 nan 8.230 nan 0.000 0.434 180 Y N 2.090 122.408 120.300 0.030 0.000 2.545 180 Y HA 0.849 5.399 4.550 0.000 0.000 0.348 180 Y C -0.320 175.590 175.900 0.018 0.000 1.002 180 Y CA -1.457 56.643 58.100 -0.000 0.000 1.039 180 Y CB 1.267 39.538 38.460 -0.316 0.000 1.271 180 Y HN 0.563 nan 8.280 nan 0.000 0.467 181 A N 2.361 125.083 122.820 -0.165 0.000 2.371 181 A HA 0.242 4.562 4.320 0.000 0.000 0.257 181 A C 1.098 178.621 177.584 -0.102 0.000 1.089 181 A CA -0.050 51.768 52.037 -0.364 0.000 0.794 181 A CB 0.071 18.692 19.000 -0.632 0.000 1.029 181 A HN 1.027 nan 8.150 nan 0.000 0.488 182 E N 1.157 121.286 120.200 -0.118 0.000 2.204 182 E HA -0.232 4.118 4.350 0.000 0.000 0.195 182 E C 0.252 176.907 176.600 0.091 0.000 0.990 182 E CA 1.427 57.801 56.400 -0.042 0.000 0.821 182 E CB -0.208 29.471 29.700 -0.035 0.000 0.750 182 E HN 0.705 nan 8.360 nan 0.000 0.477 183 D N 0.325 120.776 120.400 0.085 0.000 2.336 183 D HA -0.049 4.591 4.640 0.000 0.000 0.228 183 D C -0.310 176.036 176.300 0.075 0.000 1.120 183 D CA -0.641 53.399 54.000 0.067 0.000 0.839 183 D CB -0.771 40.041 40.800 0.020 0.000 0.932 183 D HN 0.104 nan 8.370 nan 0.000 0.509 184 F N 1.320 121.295 119.950 0.041 0.000 2.590 184 F HA 0.283 4.810 4.527 0.000 0.000 0.389 184 F C 1.453 177.255 175.800 0.005 0.000 1.049 184 F CA -0.173 57.848 58.000 0.036 0.000 1.199 184 F CB 1.031 40.141 39.000 0.184 0.000 1.058 184 F HN 0.079 nan 8.300 nan 0.000 0.556 185 A N 3.893 126.472 122.820 -0.402 0.000 1.956 185 A HA 0.022 4.342 4.320 0.000 0.000 0.212 185 A C 1.105 178.553 177.584 -0.226 0.000 1.188 185 A CA 0.417 52.301 52.037 -0.257 0.000 0.675 185 A CB -0.268 18.566 19.000 -0.277 0.000 0.845 185 A HN 0.607 nan 8.150 nan 0.000 0.455 186 E N 0.417 120.361 120.200 -0.427 0.000 2.232 186 E HA 0.241 4.591 4.350 0.000 0.000 0.296 186 E C 0.937 177.596 176.600 0.099 0.000 1.372 186 E CA -0.180 56.127 56.400 -0.154 0.000 1.527 186 E CB -0.236 29.405 29.700 -0.098 0.000 1.424 186 E HN 0.285 nan 8.360 nan 0.000 0.485 187 M N 0.087 119.753 119.600 0.109 0.000 2.296 187 M HA -0.114 4.366 4.480 0.000 0.000 0.265 187 M C 1.813 178.142 176.300 0.049 0.000 1.064 187 M CA 0.969 56.345 55.300 0.127 0.000 1.109 187 M CB -1.073 31.564 32.600 0.061 0.000 1.396 187 M HN 0.378 nan 8.290 nan 0.000 0.430 188 S N 0.703 116.421 115.700 0.030 0.000 2.402 188 S HA -0.146 4.324 4.470 0.000 0.000 0.233 188 S C 1.966 176.561 174.600 -0.007 0.000 1.030 188 S CA 1.085 59.287 58.200 0.004 0.000 1.003 188 S CB -1.051 62.147 63.200 -0.003 0.000 0.813 188 S HN 0.507 nan 8.310 nan 0.000 0.477 189 L N -0.626 120.604 121.223 0.013 0.000 2.265 189 L HA 0.074 4.414 4.340 0.000 0.000 0.215 189 L C 2.074 178.907 176.870 -0.062 0.000 1.117 189 L CA 1.098 55.923 54.840 -0.024 0.000 0.782 189 L CB -0.214 41.846 42.059 0.002 0.000 0.914 189 L HN 0.329 nan 8.230 nan 0.000 0.441 190 I N -2.254 118.271 120.570 -0.074 0.000 4.770 190 I HA 0.001 4.171 4.170 0.000 0.000 0.327 190 I C 0.948 176.969 176.117 -0.160 0.000 1.271 190 I CA -0.044 61.155 61.300 -0.169 0.000 1.320 190 I CB 0.666 38.455 38.000 -0.351 0.000 1.319 190 I HN 0.111 nan 8.210 nan 0.000 0.462 191 E N 0.657 120.787 120.200 -0.115 0.000 2.404 191 E HA 0.353 4.703 4.350 0.000 0.000 0.261 191 E C 1.090 177.660 176.600 -0.050 0.000 1.074 191 E CA 0.269 56.621 56.400 -0.080 0.000 0.917 191 E CB 0.158 29.830 29.700 -0.047 0.000 0.965 191 E HN 0.244 nan 8.360 nan 0.000 0.433 192 G N 1.608 110.388 108.800 -0.032 0.000 2.175 192 G HA2 -0.338 3.622 3.960 0.000 0.000 0.265 192 G HA3 -0.338 3.622 3.960 0.000 0.000 0.265 192 G C 0.159 175.043 174.900 -0.027 0.000 0.979 192 G CA 0.428 45.516 45.100 -0.021 0.000 0.663 192 G HN 0.496 nan 8.290 nan 0.000 0.533 193 R N 0.472 120.947 120.500 -0.042 0.000 2.459 193 R HA 0.439 4.779 4.340 0.000 0.000 0.281 193 R C 1.238 177.524 176.300 -0.023 0.000 1.050 193 R CA -0.477 55.600 56.100 -0.038 0.000 1.055 193 R CB 0.734 30.999 30.300 -0.057 0.000 1.045 193 R HN 0.610 nan 8.270 nan 0.000 0.495 194 R N 0.087 120.578 120.500 -0.014 0.000 2.637 194 R HA 0.245 4.585 4.340 0.000 0.000 0.269 194 R C 0.346 176.644 176.300 -0.004 0.000 1.089 194 R CA 0.277 56.374 56.100 -0.005 0.000 1.177 194 R CB 0.341 30.639 30.300 -0.004 0.000 1.091 194 R HN 0.732 nan 8.270 nan 0.000 0.540 195 G N 0.943 109.745 108.800 0.003 0.000 2.305 195 G HA2 -0.262 3.698 3.960 0.000 0.000 0.287 195 G HA3 -0.262 3.698 3.960 0.000 0.000 0.287 195 G C -0.385 174.518 174.900 0.004 0.000 1.036 195 G CA 0.311 45.413 45.100 0.004 0.000 0.887 195 G HN 0.465 nan 8.290 nan 0.000 0.505 196 L N 0.459 121.695 121.223 0.022 0.000 2.367 196 L HA 0.634 4.974 4.340 0.000 0.000 0.275 196 L C 0.394 177.317 176.870 0.088 0.000 1.129 196 L CA -0.443 54.433 54.840 0.061 0.000 0.839 196 L CB 0.645 42.739 42.059 0.059 0.000 1.133 196 L HN 0.222 nan 8.230 nan 0.000 0.453 197 R N 5.075 125.632 120.500 0.094 0.000 2.472 197 R HA 0.276 4.617 4.340 0.000 0.000 0.294 197 R C -0.599 175.617 176.300 -0.139 0.000 1.243 197 R CA -0.664 55.426 56.100 -0.017 0.000 1.023 197 R CB 0.934 31.150 30.300 -0.140 0.000 1.157 197 R HN 0.626 nan 8.270 nan 0.000 0.530 198 R N 2.467 122.828 120.500 -0.232 0.000 2.449 198 R HA 0.105 4.445 4.340 0.000 0.000 0.296 198 R C -0.390 175.687 176.300 -0.371 0.000 1.047 198 R CA 0.203 55.914 56.100 -0.649 0.000 1.018 198 R CB 0.510 30.599 30.300 -0.352 0.000 0.962 198 R HN 0.258 nan 8.270 nan 0.000 0.428 199 R N 4.630 124.901 120.500 -0.382 0.000 2.803 199 R HA 0.464 4.804 4.340 0.000 0.000 0.276 199 R C -2.550 173.653 176.300 -0.162 0.000 0.978 199 R CA -2.877 53.111 56.100 -0.188 0.000 0.939 199 R CB 1.130 31.400 30.300 -0.050 0.000 1.179 199 R HN 0.538 nan 8.270 nan 0.000 0.472 200 P HA 0.142 nan 4.420 nan 0.000 0.272 200 P C 1.010 178.191 177.300 -0.199 0.000 1.223 200 P CA -0.403 62.550 63.100 -0.244 0.000 0.784 200 P CB 0.793 32.237 31.700 -0.426 0.000 0.923 201 L N 1.958 123.168 121.223 -0.021 0.000 2.079 201 L HA -0.150 4.190 4.340 0.000 0.000 0.210 201 L C 2.220 179.180 176.870 0.149 0.000 1.081 201 L CA 1.777 56.683 54.840 0.110 0.000 0.752 201 L CB -0.621 41.531 42.059 0.155 0.000 0.896 201 L HN 0.629 nan 8.230 nan 0.000 0.433 202 W N 0.248 121.618 121.300 0.117 0.000 2.421 202 W HA -0.168 4.492 4.660 0.000 0.000 0.270 202 W C 1.364 177.908 176.519 0.041 0.000 1.233 202 W CA 0.440 57.824 57.345 0.065 0.000 1.226 202 W CB -0.922 28.559 29.460 0.035 0.000 1.121 202 W HN 0.268 nan 8.180 nan 0.000 0.579 203 E N 0.164 120.171 120.200 -0.321 0.000 2.418 203 E HA -0.101 4.249 4.350 0.000 0.000 0.197 203 E C 0.754 177.144 176.600 -0.349 0.000 1.026 203 E CA 0.839 56.995 56.400 -0.407 0.000 0.862 203 E CB -0.361 28.929 29.700 -0.684 0.000 0.799 203 E HN 0.293 nan 8.360 nan 0.000 0.518 204 F N 0.671 120.479 119.950 -0.238 0.000 2.639 204 F HA 0.143 4.670 4.527 0.000 0.000 0.302 204 F C 0.690 176.266 175.800 -0.373 0.000 1.097 204 F CA -0.507 57.259 58.000 -0.390 0.000 1.294 204 F CB 0.316 38.933 39.000 -0.639 0.000 1.027 204 F HN -0.157 nan 8.300 nan 0.000 0.550 205 E N 1.251 121.438 120.200 -0.022 0.000 2.376 205 E HA 0.007 4.357 4.350 0.000 0.000 0.266 205 E C 1.224 177.797 176.600 -0.046 0.000 1.009 205 E CA 0.075 56.473 56.400 -0.004 0.000 0.902 205 E CB 0.636 30.390 29.700 0.090 0.000 0.972 205 E HN 0.273 nan 8.360 nan 0.000 0.439 206 I N 3.724 124.268 120.570 -0.044 0.000 2.252 206 I HA -0.171 3.999 4.170 0.000 0.000 0.245 206 I C 0.902 177.009 176.117 -0.017 0.000 1.102 206 I CA 1.552 62.827 61.300 -0.041 0.000 1.385 206 I CB -0.164 37.828 38.000 -0.013 0.000 1.064 206 I HN 0.638 nan 8.210 nan 0.000 0.414 207 D N -0.278 120.122 120.400 0.000 0.000 2.178 207 D HA -0.131 4.509 4.640 0.000 0.000 0.202 207 D C 2.166 178.465 176.300 -0.001 0.000 0.974 207 D CA 1.610 55.613 54.000 0.004 0.000 0.841 207 D CB -0.342 40.464 40.800 0.010 0.000 0.953 207 D HN 0.336 nan 8.370 nan 0.000 0.478 208 T N 0.600 115.155 114.554 0.003 0.000 2.812 208 T HA -0.044 4.306 4.350 0.000 0.000 0.264 208 T C 2.015 176.703 174.700 -0.020 0.000 1.042 208 T CA 1.245 63.348 62.100 0.005 0.000 1.140 208 T CB -0.165 68.729 68.868 0.043 0.000 0.870 208 T HN 0.170 nan 8.240 nan 0.000 0.445 209 A N 1.967 124.763 122.820 -0.041 0.000 1.865 209 A HA -0.172 4.148 4.320 0.000 0.000 0.217 209 A C 2.350 179.906 177.584 -0.047 0.000 1.191 209 A CA 1.705 53.703 52.037 -0.065 0.000 0.623 209 A CB -0.589 18.358 19.000 -0.089 0.000 0.826 209 A HN 0.403 nan 8.150 nan 0.000 0.444 210 R N -1.066 119.418 120.500 -0.025 0.000 2.083 210 R HA -0.181 4.159 4.340 0.000 0.000 0.237 210 R C 2.633 178.928 176.300 -0.009 0.000 1.137 210 R CA 1.632 57.730 56.100 -0.004 0.000 0.951 210 R CB -0.347 29.960 30.300 0.011 0.000 0.851 210 R HN 0.712 nan 8.270 nan 0.000 0.434 211 Q N 0.463 120.254 119.800 -0.014 0.000 2.084 211 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 211 Q C 2.025 178.000 176.000 -0.042 0.000 0.978 211 Q CA 1.469 57.262 55.803 -0.017 0.000 0.844 211 Q CB 0.148 28.878 28.738 -0.012 0.000 0.898 211 Q HN 0.398 nan 8.270 nan 0.000 0.426 212 Q N 0.095 119.860 119.800 -0.059 0.000 2.079 212 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 212 Q C 2.366 178.260 176.000 -0.177 0.000 0.974 212 Q CA 0.917 56.663 55.803 -0.095 0.000 0.840 212 Q CB -0.119 28.569 28.738 -0.084 0.000 0.898 212 Q HN 0.399 nan 8.270 nan 0.000 0.430 213 L N 0.899 122.009 121.223 -0.188 0.000 2.027 213 L HA -0.187 4.153 4.340 0.000 0.000 0.206 213 L C 2.160 178.827 176.870 -0.339 0.000 1.074 213 L CA 0.861 55.478 54.840 -0.371 0.000 0.745 213 L CB -0.520 41.437 42.059 -0.169 0.000 0.898 213 L HN 0.195 nan 8.230 nan 0.000 0.433 214 N N 0.149 118.816 118.700 -0.054 0.000 2.104 214 N HA -0.217 4.523 4.740 0.000 0.000 0.190 214 N C 1.868 177.385 175.510 0.012 0.000 1.024 214 N CA 1.394 54.482 53.050 0.063 0.000 0.853 214 N CB -0.314 38.215 38.487 0.070 0.000 1.008 214 N HN 0.169 nan 8.380 nan 0.000 0.424 215 L N 1.781 122.971 121.223 -0.055 0.000 2.046 215 L HA -0.183 4.157 4.340 0.000 0.000 0.208 215 L C 2.468 179.288 176.870 -0.084 0.000 1.077 215 L CA 1.680 56.490 54.840 -0.050 0.000 0.747 215 L CB -0.704 41.319 42.059 -0.060 0.000 0.896 215 L HN 0.086 nan 8.230 nan 0.000 0.432 216 Q N -1.018 118.646 119.800 -0.227 0.000 2.124 216 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 216 Q C 1.669 177.592 176.000 -0.129 0.000 0.977 216 Q CA 1.990 57.619 55.803 -0.291 0.000 0.850 216 Q CB -0.302 28.092 28.738 -0.573 0.000 0.901 216 Q HN 0.503 nan 8.270 nan 0.000 0.429 217 F N -1.124 118.857 119.950 0.051 0.000 2.776 217 F HA 0.395 4.922 4.527 0.000 0.000 0.300 217 F C 1.600 177.480 175.800 0.132 0.000 1.116 217 F CA 0.346 58.406 58.000 0.100 0.000 1.375 217 F CB 0.056 39.148 39.000 0.154 0.000 1.109 217 F HN 0.219 nan 8.300 nan 0.000 0.585 218 G N 1.058 109.997 108.800 0.231 0.000 2.137 218 G HA2 -0.236 3.724 3.960 0.000 0.000 0.237 218 G HA3 -0.236 3.724 3.960 0.000 0.000 0.237 218 G C 0.241 175.230 174.900 0.149 0.000 1.002 218 G CA 0.389 45.583 45.100 0.158 0.000 0.702 218 G HN 0.512 nan 8.290 nan 0.000 0.515 219 T N -3.275 111.391 114.554 0.187 0.000 2.942 219 T HA 0.769 5.119 4.350 0.000 0.000 0.289 219 T C 1.175 175.939 174.700 0.106 0.000 1.044 219 T CA -0.616 61.574 62.100 0.150 0.000 1.023 219 T CB 1.916 70.918 68.868 0.223 0.000 1.123 219 T HN 0.050 nan 8.240 nan 0.000 0.512 220 R N 0.647 121.189 120.500 0.070 0.000 2.128 220 R HA 0.213 4.553 4.340 0.000 0.000 0.211 220 R C -0.079 176.256 176.300 0.058 0.000 1.067 220 R CA 0.773 56.903 56.100 0.051 0.000 1.010 220 R CB -0.326 29.991 30.300 0.029 0.000 0.922 220 R HN 0.895 nan 8.270 nan 0.000 0.457 221 D N -1.559 118.880 120.400 0.065 0.000 2.652 221 D HA 0.218 4.858 4.640 0.000 0.000 0.285 221 D C 0.076 176.447 176.300 0.118 0.000 1.173 221 D CA -0.764 53.282 54.000 0.076 0.000 0.981 221 D CB 0.650 41.475 40.800 0.041 0.000 1.440 221 D HN -0.149 nan 8.370 nan 0.000 0.485 222 L N 0.762 122.067 121.223 0.136 0.000 2.965 222 L HA 0.249 4.590 4.340 0.000 0.000 0.254 222 L C 1.270 178.208 176.870 0.114 0.000 1.220 222 L CA -0.288 54.691 54.840 0.233 0.000 1.023 222 L CB 0.450 42.658 42.059 0.250 0.000 1.355 222 L HN 0.304 nan 8.230 nan 0.000 0.545 223 V N 0.814 120.738 119.914 0.017 0.000 2.295 223 V HA -0.217 3.903 4.120 0.000 0.000 0.246 223 V C 2.563 178.606 176.094 -0.086 0.000 1.049 223 V CA 2.383 64.669 62.300 -0.023 0.000 1.024 223 V CB -0.826 30.978 31.823 -0.033 0.000 0.648 223 V HN 0.640 nan 8.190 nan 0.000 0.447 224 G N -1.129 107.543 108.800 -0.213 0.000 2.501 224 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 224 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 224 G C 1.176 175.842 174.900 -0.390 0.000 1.114 224 G CA 0.528 45.422 45.100 -0.344 0.000 0.757 224 G HN 0.523 nan 8.290 nan 0.000 0.559 225 F N 0.166 120.070 119.950 -0.076 0.000 2.727 225 F HA 0.336 4.863 4.527 0.000 0.000 0.302 225 F C 1.994 177.744 175.800 -0.083 0.000 1.097 225 F CA -0.291 57.641 58.000 -0.113 0.000 1.330 225 F CB 0.131 39.025 39.000 -0.177 0.000 1.084 225 F HN 0.194 nan 8.300 nan 0.000 0.578 226 G N 0.871 109.716 108.800 0.077 0.000 2.176 226 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 226 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 226 G C 0.728 175.656 174.900 0.047 0.000 1.024 226 G CA 0.622 45.747 45.100 0.042 0.000 0.755 226 G HN 0.650 nan 8.290 nan 0.000 0.507 227 V N -3.389 116.566 119.914 0.068 0.000 3.432 227 V HA 0.567 4.687 4.120 0.000 0.000 0.298 227 V C 1.653 177.777 176.094 0.051 0.000 1.464 227 V CA 1.278 63.605 62.300 0.045 0.000 1.046 227 V CB 0.888 32.720 31.823 0.015 0.000 0.887 227 V HN 0.230 nan 8.190 nan 0.000 0.441 228 E N 2.284 122.519 120.200 0.059 0.000 2.153 228 E HA -0.185 4.165 4.350 0.000 0.000 0.194 228 E C 1.774 178.399 176.600 0.041 0.000 0.988 228 E CA 1.770 58.201 56.400 0.052 0.000 0.811 228 E CB -0.312 29.415 29.700 0.044 0.000 0.746 228 E HN 0.617 nan 8.360 nan 0.000 0.466 229 N N -0.207 118.515 118.700 0.037 0.000 2.573 229 N HA -0.027 4.713 4.740 0.000 0.000 0.187 229 N C -0.553 174.982 175.510 0.043 0.000 1.107 229 N CA 1.045 54.116 53.050 0.035 0.000 0.918 229 N CB 0.350 38.854 38.487 0.029 0.000 0.966 229 N HN 0.189 nan 8.380 nan 0.000 0.448 230 A N 0.309 123.158 122.820 0.047 0.000 3.297 230 A HA 0.330 4.650 4.320 0.000 0.000 0.304 230 A C -1.603 176.023 177.584 0.070 0.000 0.963 230 A CA -0.939 51.134 52.037 0.060 0.000 0.935 230 A CB 0.772 19.803 19.000 0.053 0.000 1.093 230 A HN -0.066 nan 8.150 nan 0.000 0.480 231 P HA -0.202 nan 4.420 nan 0.000 0.217 231 P C 1.475 178.846 177.300 0.117 0.000 1.150 231 P CA 0.908 64.053 63.100 0.074 0.000 0.832 231 P CB 0.186 31.932 31.700 0.077 0.000 0.787 232 R N -0.233 120.387 120.500 0.200 0.000 2.096 232 R HA -0.097 4.243 4.340 0.000 0.000 0.240 232 R C 2.647 179.138 176.300 0.318 0.000 1.139 232 R CA 2.067 58.389 56.100 0.370 0.000 0.952 232 R CB -1.423 29.077 30.300 0.334 0.000 0.854 232 R HN 0.263 nan 8.270 nan 0.000 0.436 233 G N 0.591 109.518 108.800 0.211 0.000 2.422 233 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 233 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 233 G C 1.520 176.460 174.900 0.067 0.000 1.140 233 G CA 0.150 45.348 45.100 0.163 0.000 0.775 233 G HN 0.150 nan 8.290 nan 0.000 0.545 234 L N 0.126 121.364 121.223 0.025 0.000 2.093 234 L HA -0.089 4.251 4.340 0.000 0.000 0.208 234 L C 3.006 179.829 176.870 -0.079 0.000 1.085 234 L CA 0.560 55.381 54.840 -0.032 0.000 0.755 234 L CB -0.486 41.562 42.059 -0.018 0.000 0.904 234 L HN 0.237 nan 8.230 nan 0.000 0.435 235 C N -0.139 119.089 119.300 -0.121 0.000 2.413 235 C HA -0.198 4.262 4.460 0.000 0.000 0.276 235 C C 3.148 178.010 174.990 -0.215 0.000 1.236 235 C CA 0.854 59.710 59.018 -0.271 0.000 1.735 235 C CB -1.118 26.229 27.740 -0.654 0.000 2.031 235 C HN 0.628 nan 8.230 nan 0.000 0.474 236 A N 0.380 123.195 122.820 -0.009 0.000 1.933 236 A HA 0.087 4.407 4.320 0.000 0.000 0.218 236 A C 2.339 179.882 177.584 -0.069 0.000 1.175 236 A CA 2.021 54.112 52.037 0.092 0.000 0.628 236 A CB -0.814 18.366 19.000 0.299 0.000 0.814 236 A HN 0.597 nan 8.150 nan 0.000 0.444 237 A N -0.621 122.179 122.820 -0.033 0.000 1.969 237 A HA 0.189 4.509 4.320 0.000 0.000 0.218 237 A C 2.306 179.899 177.584 0.014 0.000 1.169 237 A CA 1.730 53.785 52.037 0.030 0.000 0.635 237 A CB -1.095 17.839 19.000 -0.109 0.000 0.810 237 A HN 0.654 nan 8.150 nan 0.000 0.445 238 G N -1.164 107.565 108.800 -0.118 0.000 2.394 238 G HA2 -0.231 3.729 3.960 0.000 0.000 0.215 238 G HA3 -0.231 3.729 3.960 0.000 0.000 0.215 238 G C 1.747 176.512 174.900 -0.225 0.000 1.165 238 G CA 1.122 46.136 45.100 -0.144 0.000 0.784 238 G HN 0.567 nan 8.290 nan 0.000 0.535 239 C N 0.244 119.279 119.300 -0.440 0.000 2.413 239 C HA -0.021 4.440 4.460 0.000 0.000 0.277 239 C C 2.632 177.436 174.990 -0.311 0.000 1.228 239 C CA 1.114 59.779 59.018 -0.589 0.000 1.731 239 C CB -0.887 26.071 27.740 -1.302 0.000 2.042 239 C HN 0.340 nan 8.230 nan 0.000 0.468 240 L N 1.087 122.173 121.223 -0.230 0.000 2.012 240 L HA -0.081 4.259 4.340 0.000 0.000 0.210 240 L C 2.305 179.119 176.870 -0.094 0.000 1.073 240 L CA 2.214 56.980 54.840 -0.123 0.000 0.748 240 L CB -1.859 40.164 42.059 -0.060 0.000 0.891 240 L HN 0.470 nan 8.230 nan 0.000 0.431 241 L N -0.082 121.099 121.223 -0.071 0.000 2.083 241 L HA -0.211 4.129 4.340 0.000 0.000 0.209 241 L C 2.576 179.390 176.870 -0.093 0.000 1.083 241 L CA 1.663 56.440 54.840 -0.105 0.000 0.752 241 L CB -0.556 41.479 42.059 -0.039 0.000 0.899 241 L HN 0.408 nan 8.230 nan 0.000 0.433 242 Q N -2.005 117.750 119.800 -0.075 0.000 2.079 242 Q HA -0.246 4.094 4.340 0.000 0.000 0.200 242 Q C 2.146 178.131 176.000 -0.025 0.000 0.974 242 Q CA 2.011 57.783 55.803 -0.050 0.000 0.840 242 Q CB -0.387 28.323 28.738 -0.046 0.000 0.898 242 Q HN 0.594 nan 8.270 nan 0.000 0.430 243 Y N 0.755 120.967 120.300 -0.146 0.000 2.181 243 Y HA -0.260 4.290 4.550 0.000 0.000 0.288 243 Y C 2.210 178.042 175.900 -0.113 0.000 1.146 243 Y CA 1.379 59.404 58.100 -0.124 0.000 1.164 243 Y CB -0.298 38.079 38.460 -0.139 0.000 0.982 243 Y HN 0.116 nan 8.280 nan 0.000 0.515 244 A N 0.053 122.862 122.820 -0.018 0.000 1.902 244 A HA -0.216 4.104 4.320 0.000 0.000 0.217 244 A C 2.164 179.671 177.584 -0.130 0.000 1.181 244 A CA 2.044 54.024 52.037 -0.096 0.000 0.623 244 A CB -0.508 18.400 19.000 -0.152 0.000 0.818 244 A HN 0.507 nan 8.150 nan 0.000 0.443 245 K N -0.966 119.363 120.400 -0.117 0.000 2.217 245 K HA -0.101 4.219 4.320 0.000 0.000 0.202 245 K C 1.541 178.080 176.600 -0.102 0.000 1.051 245 K CA 1.263 57.491 56.287 -0.099 0.000 0.952 245 K CB -0.095 32.357 32.500 -0.081 0.000 0.736 245 K HN 0.492 nan 8.250 nan 0.000 0.453 246 D N -0.035 120.283 120.400 -0.136 0.000 2.249 246 D HA -0.090 4.551 4.640 0.000 0.000 0.205 246 D C 1.776 177.963 176.300 -0.188 0.000 0.962 246 D CA 1.240 55.158 54.000 -0.137 0.000 0.860 246 D CB 0.253 40.968 40.800 -0.141 0.000 0.955 246 D HN 0.208 nan 8.370 nan 0.000 0.505 247 T N -2.429 111.961 114.554 -0.272 0.000 2.896 247 T HA -0.070 4.280 4.350 0.000 0.000 0.263 247 T C 1.725 176.331 174.700 -0.156 0.000 1.050 247 T CA 0.608 62.553 62.100 -0.259 0.000 1.140 247 T CB -0.100 68.583 68.868 -0.309 0.000 0.877 247 T HN -0.024 nan 8.240 nan 0.000 0.457 248 Q N 0.862 120.589 119.800 -0.122 0.000 2.297 248 Q HA 0.280 4.620 4.340 0.000 0.000 0.203 248 Q C 0.926 176.887 176.000 -0.065 0.000 0.931 248 Q CA 0.281 56.035 55.803 -0.082 0.000 0.885 248 Q CB -0.214 28.488 28.738 -0.059 0.000 0.991 248 Q HN 0.605 nan 8.270 nan 0.000 0.498 249 R N 1.002 121.464 120.500 -0.063 0.000 3.516 249 R HA -0.147 4.193 4.340 0.000 0.000 0.271 249 R C -0.362 175.921 176.300 -0.029 0.000 1.098 249 R CA 1.034 57.108 56.100 -0.042 0.000 0.732 249 R CB -2.270 28.009 30.300 -0.035 0.000 1.152 249 R HN 0.496 nan 8.270 nan 0.000 0.455 250 T N -5.218 109.317 114.554 -0.031 0.000 2.812 250 T HA 0.513 4.863 4.350 0.000 0.000 0.294 250 T C 0.380 175.069 174.700 -0.019 0.000 1.159 250 T CA -0.438 61.649 62.100 -0.022 0.000 1.008 250 T CB 1.773 70.626 68.868 -0.026 0.000 1.289 250 T HN 0.132 nan 8.240 nan 0.000 0.514 251 T N 0.053 114.601 114.554 -0.011 0.000 2.856 251 T HA 0.504 4.854 4.350 0.000 0.000 0.306 251 T C 0.128 174.839 174.700 0.017 0.000 1.062 251 T CA -0.726 61.372 62.100 -0.003 0.000 1.083 251 T CB -0.139 68.731 68.868 0.004 0.000 0.984 251 T HN 0.596 nan 8.240 nan 0.000 0.542 252 L N 2.536 123.778 121.223 0.031 0.000 2.556 252 L HA 0.308 4.648 4.340 0.000 0.000 0.243 252 L C -1.744 175.198 176.870 0.120 0.000 1.331 252 L CA -1.797 53.104 54.840 0.102 0.000 0.927 252 L CB 1.478 43.528 42.059 -0.015 0.000 1.219 252 L HN 0.520 nan 8.230 nan 0.000 0.490 253 P HA -0.133 nan 4.420 nan 0.000 0.237 253 P C 1.002 178.404 177.300 0.170 0.000 1.178 253 P CA 1.021 64.198 63.100 0.127 0.000 0.766 253 P CB -0.109 31.641 31.700 0.083 0.000 0.876 254 H N -0.954 118.121 119.070 0.008 0.000 2.551 254 H HA 0.177 4.733 4.556 0.000 0.000 0.266 254 H C 0.590 175.943 175.328 0.041 0.000 0.977 254 H CA -0.203 55.855 56.048 0.016 0.000 1.163 254 H CB -0.792 28.963 29.762 -0.012 0.000 1.381 254 H HN 0.162 nan 8.280 nan 0.000 0.581 255 I N 3.407 123.849 120.570 -0.214 0.000 2.318 255 I HA 0.177 4.347 4.170 0.000 0.000 0.285 255 I C 1.167 177.397 176.117 0.189 0.000 1.127 255 I CA -0.240 60.995 61.300 -0.108 0.000 1.243 255 I CB 0.362 38.214 38.000 -0.247 0.000 1.498 255 I HN 0.205 nan 8.210 nan 0.000 0.535 256 R N 1.651 122.240 120.500 0.148 0.000 2.397 256 R HA 0.374 4.715 4.340 0.000 0.000 0.241 256 R C 0.159 176.344 176.300 -0.191 0.000 0.914 256 R CA -0.143 56.053 56.100 0.159 0.000 1.071 256 R CB 0.753 31.122 30.300 0.114 0.000 1.116 256 R HN 0.332 nan 8.270 nan 0.000 0.524 257 S N 0.018 115.448 115.700 -0.450 0.000 2.552 257 S HA 0.535 5.005 4.470 0.000 0.000 0.272 257 S C -1.794 172.324 174.600 -0.802 0.000 1.150 257 S CA -0.777 56.819 58.200 -1.006 0.000 0.849 257 S CB 1.727 64.724 63.200 -0.338 0.000 1.113 257 S HN 0.293 nan 8.310 nan 0.000 0.458 258 I N 1.915 121.823 120.570 -1.102 0.000 2.730 258 I HA 0.672 4.842 4.170 0.000 0.000 0.298 258 I C -1.183 174.711 176.117 -0.372 0.000 1.089 258 I CA -0.169 60.765 61.300 -0.610 0.000 1.041 258 I CB 2.393 39.927 38.000 -0.777 0.000 1.235 258 I HN 0.626 nan 8.210 nan 0.000 0.423 259 T N 6.963 121.398 114.554 -0.199 0.000 2.886 259 T HA 0.394 4.744 4.350 0.000 0.000 0.292 259 T C -0.659 174.004 174.700 -0.062 0.000 1.012 259 T CA -0.452 61.599 62.100 -0.081 0.000 0.982 259 T CB 1.661 70.511 68.868 -0.029 0.000 1.018 259 T HN 0.583 nan 8.240 nan 0.000 0.451 260 M N 2.577 122.160 119.600 -0.028 0.000 2.180 260 M HA 0.350 4.830 4.480 0.000 0.000 0.358 260 M C -0.384 175.922 176.300 0.009 0.000 1.233 260 M CA -0.146 55.150 55.300 -0.007 0.000 1.114 260 M CB 0.578 33.181 32.600 0.007 0.000 1.594 260 M HN 0.502 nan 8.290 nan 0.000 0.467 261 E N 5.260 125.476 120.200 0.026 0.000 2.014 261 E HA 0.260 4.610 4.350 0.000 0.000 0.275 261 E C -0.980 175.638 176.600 0.030 0.000 0.997 261 E CA -0.291 56.127 56.400 0.031 0.000 0.804 261 E CB 0.817 30.548 29.700 0.051 0.000 1.090 261 E HN 0.608 nan 8.360 nan 0.000 0.401 262 R N 2.106 122.613 120.500 0.012 0.000 2.457 262 R HA 0.112 4.452 4.340 0.000 0.000 0.284 262 R C 1.002 177.299 176.300 -0.005 0.000 1.024 262 R CA -0.407 55.698 56.100 0.008 0.000 1.025 262 R CB 0.907 31.206 30.300 -0.002 0.000 1.063 262 R HN 0.572 nan 8.270 nan 0.000 0.493 263 E N 1.658 121.856 120.200 -0.003 0.000 2.130 263 E HA -0.303 4.047 4.350 0.000 0.000 0.196 263 E C 1.030 177.603 176.600 -0.046 0.000 0.998 263 E CA 1.463 57.851 56.400 -0.019 0.000 0.806 263 E CB -0.042 29.654 29.700 -0.008 0.000 0.738 263 E HN 0.529 nan 8.360 nan 0.000 0.459 264 Q N 0.715 120.486 119.800 -0.049 0.000 2.378 264 Q HA -0.050 4.290 4.340 0.000 0.000 0.205 264 Q C 1.178 177.127 176.000 -0.084 0.000 0.954 264 Q CA 0.990 56.749 55.803 -0.074 0.000 0.901 264 Q CB 0.252 28.949 28.738 -0.069 0.000 0.981 264 Q HN 0.242 nan 8.270 nan 0.000 0.483 265 D N -0.106 120.255 120.400 -0.066 0.000 2.347 265 D HA 0.019 4.659 4.640 0.000 0.000 0.213 265 D C 0.234 176.486 176.300 -0.080 0.000 0.985 265 D CA 0.554 54.513 54.000 -0.069 0.000 0.879 265 D CB 0.296 41.067 40.800 -0.049 0.000 0.919 265 D HN 0.229 nan 8.370 nan 0.000 0.526 266 S N -0.775 114.875 115.700 -0.084 0.000 2.618 266 S HA 0.511 4.981 4.470 0.000 0.000 0.277 266 S C -0.580 173.947 174.600 -0.122 0.000 1.138 266 S CA -0.961 57.184 58.200 -0.091 0.000 0.844 266 S CB 1.543 64.710 63.200 -0.055 0.000 1.127 266 S HN -0.044 nan 8.310 nan 0.000 0.474 267 I N 1.880 122.363 120.570 -0.144 0.000 2.436 267 I HA 0.214 4.384 4.170 0.000 0.000 0.289 267 I C -0.399 175.640 176.117 -0.130 0.000 1.083 267 I CA -0.287 60.912 61.300 -0.168 0.000 1.372 267 I CB 0.240 38.121 38.000 -0.199 0.000 1.408 267 I HN 0.517 nan 8.210 nan 0.000 0.516 268 I N 7.711 128.191 120.570 -0.150 0.000 2.363 268 I HA 0.173 4.343 4.170 0.000 0.000 0.292 268 I C 0.141 176.123 176.117 -0.225 0.000 1.075 268 I CA 0.104 61.312 61.300 -0.154 0.000 1.333 268 I CB 0.314 38.224 38.000 -0.149 0.000 1.415 268 I HN 0.466 nan 8.210 nan 0.000 0.502 269 M N 6.064 125.567 119.600 -0.161 0.000 2.157 269 M HA 0.207 4.687 4.480 0.000 0.000 0.354 269 M C -0.056 176.150 176.300 -0.156 0.000 1.170 269 M CA -0.913 54.285 55.300 -0.170 0.000 1.060 269 M CB 0.985 33.532 32.600 -0.089 0.000 1.615 269 M HN 0.515 nan 8.290 nan 0.000 0.460 270 D N 2.597 122.879 120.400 -0.198 0.000 2.369 270 D HA 0.132 4.772 4.640 0.000 0.000 0.241 270 D C 0.913 177.187 176.300 -0.044 0.000 1.271 270 D CA -0.254 53.683 54.000 -0.104 0.000 0.942 270 D CB 0.478 41.254 40.800 -0.040 0.000 1.129 270 D HN 0.619 nan 8.370 nan 0.000 0.476 271 A N 0.268 123.074 122.820 -0.023 0.000 1.902 271 A HA 0.035 4.355 4.320 0.000 0.000 0.217 271 A C 2.220 179.807 177.584 0.005 0.000 1.181 271 A CA 2.566 54.596 52.037 -0.012 0.000 0.623 271 A CB -1.281 17.707 19.000 -0.020 0.000 0.818 271 A HN 0.724 nan 8.150 nan 0.000 0.443 272 A N -1.194 121.633 122.820 0.012 0.000 1.972 272 A HA -0.054 4.266 4.320 0.000 0.000 0.219 272 A C 2.270 179.864 177.584 0.018 0.000 1.169 272 A CA 2.197 54.245 52.037 0.020 0.000 0.635 272 A CB -1.112 17.906 19.000 0.030 0.000 0.810 272 A HN 0.427 nan 8.150 nan 0.000 0.446 273 T N -0.807 113.752 114.554 0.009 0.000 2.777 273 T HA -0.114 4.236 4.350 0.000 0.000 0.266 273 T C 2.110 176.809 174.700 -0.000 0.000 1.040 273 T CA 1.583 63.681 62.100 -0.002 0.000 1.141 273 T CB -0.177 68.671 68.868 -0.032 0.000 0.868 273 T HN 0.495 nan 8.240 nan 0.000 0.444 274 R N 0.531 121.037 120.500 0.011 0.000 2.091 274 R HA 0.041 4.381 4.340 0.000 0.000 0.238 274 R C 2.692 179.021 176.300 0.049 0.000 1.136 274 R CA 1.332 57.457 56.100 0.041 0.000 0.959 274 R CB -0.027 30.329 30.300 0.093 0.000 0.856 274 R HN 0.268 nan 8.270 nan 0.000 0.437 275 R N -0.752 119.772 120.500 0.040 0.000 2.073 275 R HA -0.049 4.291 4.340 0.000 0.000 0.229 275 R C 1.908 178.228 176.300 0.033 0.000 1.120 275 R CA 1.525 57.648 56.100 0.038 0.000 0.967 275 R CB -0.281 30.037 30.300 0.029 0.000 0.862 275 R HN 0.172 nan 8.270 nan 0.000 0.436 276 N N 0.438 119.155 118.700 0.028 0.000 2.459 276 N HA -0.037 4.703 4.740 0.000 0.000 0.181 276 N C 1.209 176.743 175.510 0.040 0.000 1.046 276 N CA 0.639 53.708 53.050 0.031 0.000 0.904 276 N CB 0.187 38.690 38.487 0.027 0.000 0.964 276 N HN 0.138 nan 8.380 nan 0.000 0.444 277 L N 0.003 121.242 121.223 0.027 0.000 2.554 277 L HA 0.221 4.561 4.340 0.000 0.000 0.225 277 L C -0.174 176.716 176.870 0.035 0.000 1.104 277 L CA 0.108 54.963 54.840 0.025 0.000 0.866 277 L CB -0.174 41.871 42.059 -0.022 0.000 1.047 277 L HN 0.146 nan 8.230 nan 0.000 0.468 278 E N 0.103 120.324 120.200 0.035 0.000 2.271 278 E HA -0.254 4.096 4.350 0.000 0.000 0.223 278 E C 0.926 177.542 176.600 0.027 0.000 1.223 278 E CA 0.075 56.500 56.400 0.041 0.000 0.704 278 E CB -1.458 28.273 29.700 0.052 0.000 1.194 278 E HN 0.499 nan 8.360 nan 0.000 0.375 279 I N -0.062 120.505 120.570 -0.004 0.000 2.110 279 I HA -0.221 3.949 4.170 0.000 0.000 0.236 279 I C 2.483 178.599 176.117 -0.002 0.000 1.068 279 I CA 2.201 63.457 61.300 -0.073 0.000 1.333 279 I CB -0.195 37.626 38.000 -0.298 0.000 1.054 279 I HN 0.396 nan 8.210 nan 0.000 0.402 280 T N -3.639 110.974 114.554 0.098 0.000 3.003 280 T HA 0.196 4.546 4.350 0.000 0.000 0.261 280 T C 0.450 175.207 174.700 0.094 0.000 1.003 280 T CA -0.329 61.849 62.100 0.129 0.000 0.917 280 T CB 0.407 69.414 68.868 0.231 0.000 1.084 280 T HN 0.181 nan 8.240 nan 0.000 0.522 281 Q N 2.014 121.865 119.800 0.086 0.000 2.285 281 Q HA 0.433 4.773 4.340 0.000 0.000 0.269 281 Q C -1.272 174.756 176.000 0.048 0.000 1.030 281 Q CA -0.799 55.039 55.803 0.059 0.000 0.788 281 Q CB 1.891 30.663 28.738 0.057 0.000 1.266 281 Q HN 0.476 nan 8.270 nan 0.000 0.438 282 N N 2.047 120.769 118.700 0.036 0.000 2.379 282 N HA 0.108 4.848 4.740 0.000 0.000 0.260 282 N C 0.474 176.000 175.510 0.025 0.000 1.254 282 N CA -0.279 52.788 53.050 0.029 0.000 0.958 282 N CB 0.495 38.995 38.487 0.022 0.000 1.208 282 N HN 0.668 nan 8.380 nan 0.000 0.532 283 L N -1.639 119.596 121.223 0.021 0.000 2.622 283 L HA 0.121 4.461 4.340 0.000 0.000 0.233 283 L C 1.268 178.146 176.870 0.014 0.000 1.156 283 L CA 0.669 55.520 54.840 0.018 0.000 0.866 283 L CB -0.429 41.640 42.059 0.015 0.000 0.980 283 L HN 0.802 nan 8.230 nan 0.000 0.448 284 A N -1.011 121.817 122.820 0.013 0.000 2.574 284 A HA 0.523 4.843 4.320 0.000 0.000 0.283 284 A C 1.503 179.094 177.584 0.012 0.000 1.270 284 A CA 0.399 52.443 52.037 0.011 0.000 0.945 284 A CB 0.001 19.006 19.000 0.007 0.000 1.127 284 A HN 0.396 nan 8.150 nan 0.000 0.522 285 G N -1.297 107.511 108.800 0.015 0.000 2.199 285 G HA2 -0.091 3.869 3.960 0.000 0.000 0.254 285 G HA3 -0.091 3.869 3.960 0.000 0.000 0.254 285 G C 0.796 175.705 174.900 0.015 0.000 0.982 285 G CA 0.311 45.420 45.100 0.015 0.000 0.632 285 G HN 1.472 nan 8.290 nan 0.000 0.529 286 G N -1.107 107.702 108.800 0.015 0.000 2.502 286 G HA2 0.708 4.668 3.960 0.000 0.000 0.305 286 G HA3 0.708 4.668 3.960 0.000 0.000 0.305 286 G C 0.932 175.844 174.900 0.020 0.000 1.190 286 G CA 0.429 45.538 45.100 0.015 0.000 0.933 286 G HN 1.252 nan 8.290 nan 0.000 0.503 287 A N -0.438 122.393 122.820 0.019 0.000 2.238 287 A HA 0.322 4.642 4.320 0.000 0.000 0.210 287 A C 0.761 178.358 177.584 0.022 0.000 1.179 287 A CA 0.202 52.253 52.037 0.023 0.000 0.827 287 A CB -0.144 18.869 19.000 0.021 0.000 0.856 287 A HN 0.612 nan 8.150 nan 0.000 0.488 288 E N 1.269 121.479 120.200 0.017 0.000 2.373 288 E HA 0.301 4.651 4.350 0.000 0.000 0.267 288 E C -0.126 176.484 176.600 0.018 0.000 1.032 288 E CA -0.324 56.085 56.400 0.015 0.000 0.889 288 E CB 0.035 29.742 29.700 0.011 0.000 0.984 288 E HN 0.239 nan 8.360 nan 0.000 0.425 289 N N 0.247 118.958 118.700 0.019 0.000 2.738 289 N HA -0.156 4.584 4.740 0.000 0.000 0.249 289 N C -0.844 174.685 175.510 0.032 0.000 1.047 289 N CA 1.367 54.430 53.050 0.021 0.000 0.707 289 N CB -2.000 36.493 38.487 0.010 0.000 0.937 289 N HN 0.748 nan 8.380 nan 0.000 0.545 290 T N -3.818 110.759 114.554 0.037 0.000 2.938 290 T HA 0.590 4.940 4.350 0.000 0.000 0.285 290 T C 1.396 176.124 174.700 0.047 0.000 1.028 290 T CA -0.903 61.224 62.100 0.044 0.000 1.005 290 T CB 1.760 70.652 68.868 0.040 0.000 1.157 290 T HN -0.006 nan 8.240 nan 0.000 0.550 291 L N 1.283 122.530 121.223 0.040 0.000 2.046 291 L HA 0.120 4.460 4.340 0.000 0.000 0.208 291 L C 2.731 179.622 176.870 0.034 0.000 1.077 291 L CA 2.477 57.335 54.840 0.031 0.000 0.747 291 L CB -1.410 40.645 42.059 -0.006 0.000 0.896 291 L HN 0.918 nan 8.230 nan 0.000 0.432 292 A N -0.836 122.001 122.820 0.029 0.000 1.933 292 A HA -0.217 4.103 4.320 0.000 0.000 0.218 292 A C 2.502 180.105 177.584 0.032 0.000 1.175 292 A CA 1.993 54.049 52.037 0.032 0.000 0.628 292 A CB -1.157 17.867 19.000 0.039 0.000 0.814 292 A HN 0.691 nan 8.150 nan 0.000 0.444 293 S N -0.532 115.188 115.700 0.032 0.000 2.399 293 S HA -0.114 4.356 4.470 0.000 0.000 0.231 293 S C 1.737 176.354 174.600 0.028 0.000 1.022 293 S CA 1.540 59.756 58.200 0.027 0.000 0.983 293 S CB -0.739 62.477 63.200 0.026 0.000 0.803 293 S HN 0.241 nan 8.310 nan 0.000 0.480 294 V N 1.702 121.640 119.914 0.039 0.000 2.346 294 V HA 0.080 4.200 4.120 0.000 0.000 0.244 294 V C 2.471 178.596 176.094 0.052 0.000 1.037 294 V CA 1.477 63.805 62.300 0.047 0.000 1.029 294 V CB -0.606 31.259 31.823 0.070 0.000 0.663 294 V HN 0.478 nan 8.190 nan 0.000 0.454 295 L N -0.226 121.035 121.223 0.063 0.000 2.418 295 L HA 0.083 4.423 4.340 0.000 0.000 0.218 295 L C 0.780 177.672 176.870 0.037 0.000 1.125 295 L CA 0.582 55.465 54.840 0.072 0.000 0.835 295 L CB -0.169 41.944 42.059 0.089 0.000 0.953 295 L HN 0.321 nan 8.230 nan 0.000 0.454 296 D N -0.257 120.156 120.400 0.022 0.000 2.500 296 D HA 0.141 4.781 4.640 0.000 0.000 0.219 296 D C -0.173 176.125 176.300 -0.003 0.000 1.137 296 D CA -0.263 53.739 54.000 0.003 0.000 0.946 296 D CB 0.369 41.170 40.800 0.001 0.000 1.022 296 D HN 0.045 nan 8.370 nan 0.000 0.518 297 C N 3.334 122.630 119.300 -0.007 0.000 2.557 297 C HA 0.249 4.709 4.460 0.000 0.000 0.281 297 C C 0.972 175.952 174.990 -0.017 0.000 1.490 297 C CA -0.610 58.402 59.018 -0.010 0.000 1.771 297 C CB -1.796 25.940 27.740 -0.007 0.000 2.887 297 C HN 0.619 nan 8.230 nan 0.000 0.527 298 T N -1.081 113.456 114.554 -0.028 0.000 2.791 298 T HA 0.232 4.582 4.350 0.000 0.000 0.323 298 T C 1.069 175.753 174.700 -0.026 0.000 1.082 298 T CA 0.482 62.559 62.100 -0.038 0.000 1.084 298 T CB 0.942 69.775 68.868 -0.059 0.000 0.992 298 T HN 0.610 nan 8.240 nan 0.000 0.547 299 V N -2.399 117.500 119.914 -0.025 0.000 3.605 299 V HA 0.346 4.466 4.120 0.000 0.000 0.284 299 V C 0.755 176.840 176.094 -0.016 0.000 1.386 299 V CA 0.323 62.614 62.300 -0.016 0.000 1.053 299 V CB -0.683 31.135 31.823 -0.009 0.000 0.857 299 V HN 1.216 nan 8.190 nan 0.000 0.436 300 T N -3.066 111.474 114.554 -0.024 0.000 2.856 300 T HA 0.628 4.978 4.350 0.000 0.000 0.283 300 T C -2.006 172.676 174.700 -0.029 0.000 1.008 300 T CA -1.750 60.337 62.100 -0.023 0.000 0.997 300 T CB 2.048 70.903 68.868 -0.023 0.000 0.992 300 T HN -0.013 nan 8.240 nan 0.000 0.454 301 P HA -0.159 nan 4.420 nan 0.000 0.216 301 P C 1.906 179.187 177.300 -0.032 0.000 1.153 301 P CA 1.537 64.622 63.100 -0.025 0.000 0.858 301 P CB -0.183 31.505 31.700 -0.020 0.000 0.789 302 M N -2.739 116.842 119.600 -0.032 0.000 2.175 302 M HA 0.065 4.546 4.480 0.000 0.000 0.264 302 M C 2.141 178.404 176.300 -0.062 0.000 1.063 302 M CA 2.350 57.629 55.300 -0.035 0.000 1.119 302 M CB -1.720 30.866 32.600 -0.023 0.000 1.377 302 M HN -0.182 nan 8.290 nan 0.000 0.415 303 G N 0.178 108.934 108.800 -0.074 0.000 2.422 303 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 303 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 303 G C 1.601 176.422 174.900 -0.132 0.000 1.140 303 G CA 0.929 45.956 45.100 -0.121 0.000 0.775 303 G HN 0.528 nan 8.290 nan 0.000 0.545 304 S N 0.090 115.740 115.700 -0.083 0.000 2.368 304 S HA -0.089 4.381 4.470 0.000 0.000 0.225 304 S C 2.507 177.067 174.600 -0.067 0.000 1.030 304 S CA 1.322 59.482 58.200 -0.067 0.000 0.999 304 S CB -0.180 62.998 63.200 -0.038 0.000 0.844 304 S HN 0.454 nan 8.310 nan 0.000 0.459 305 R N 0.048 120.513 120.500 -0.059 0.000 2.073 305 R HA 0.053 4.393 4.340 0.000 0.000 0.229 305 R C 2.578 178.844 176.300 -0.058 0.000 1.120 305 R CA 1.530 57.609 56.100 -0.036 0.000 0.967 305 R CB -0.378 29.910 30.300 -0.020 0.000 0.862 305 R HN 0.458 nan 8.270 nan 0.000 0.436 306 M N 0.706 120.227 119.600 -0.131 0.000 2.108 306 M HA -0.183 4.297 4.480 0.000 0.000 0.261 306 M C 2.096 178.138 176.300 -0.430 0.000 1.066 306 M CA 1.466 56.615 55.300 -0.252 0.000 1.107 306 M CB -0.091 32.296 32.600 -0.356 0.000 1.356 306 M HN 0.158 nan 8.290 nan 0.000 0.406 307 L N 0.681 121.671 121.223 -0.388 0.000 2.042 307 L HA -0.213 4.127 4.340 0.000 0.000 0.210 307 L C 1.967 178.814 176.870 -0.039 0.000 1.076 307 L CA 1.991 56.655 54.840 -0.294 0.000 0.749 307 L CB -0.638 41.308 42.059 -0.188 0.000 0.893 307 L HN 0.229 nan 8.230 nan 0.000 0.432 308 K N -0.958 119.447 120.400 0.008 0.000 2.148 308 K HA -0.089 4.231 4.320 0.000 0.000 0.204 308 K C 2.167 178.904 176.600 0.228 0.000 1.050 308 K CA 1.118 57.479 56.287 0.124 0.000 0.942 308 K CB -0.168 32.401 32.500 0.115 0.000 0.724 308 K HN 0.330 nan 8.250 nan 0.000 0.446 309 R N -0.221 120.389 120.500 0.184 0.000 2.115 309 R HA -0.126 4.214 4.340 0.000 0.000 0.230 309 R C 1.930 178.462 176.300 0.387 0.000 1.111 309 R CA 1.275 57.531 56.100 0.260 0.000 0.976 309 R CB -0.097 30.343 30.300 0.233 0.000 0.870 309 R HN 0.281 nan 8.270 nan 0.000 0.445 310 W N 0.550 121.899 121.300 0.082 0.000 2.408 310 W HA -0.053 4.607 4.660 0.000 0.000 0.311 310 W C 1.855 178.404 176.519 0.049 0.000 1.190 310 W CA 0.122 57.506 57.345 0.064 0.000 1.321 310 W CB -0.987 28.506 29.460 0.055 0.000 1.143 310 W HN -0.010 nan 8.180 nan 0.000 0.501 311 L N -0.419 120.966 121.223 0.270 0.000 2.137 311 L HA -0.242 4.099 4.340 0.000 0.000 0.213 311 L C 1.900 178.747 176.870 -0.039 0.000 1.085 311 L CA 1.904 56.792 54.840 0.079 0.000 0.760 311 L CB -1.867 40.192 42.059 0.000 0.000 0.893 311 L HN 0.158 nan 8.230 nan 0.000 0.434 312 H N -3.003 116.133 119.070 0.109 0.000 2.563 312 H HA 0.243 4.799 4.556 0.000 0.000 0.264 312 H C 0.785 176.146 175.328 0.055 0.000 0.957 312 H CA 0.158 56.247 56.048 0.068 0.000 1.173 312 H CB 0.377 30.177 29.762 0.064 0.000 1.420 312 H HN 0.088 nan 8.280 nan 0.000 0.551 313 M N 1.411 121.107 119.600 0.160 0.000 1.949 313 M HA 0.262 4.742 4.480 0.000 0.000 0.234 313 M C -2.796 173.524 176.300 0.033 0.000 0.855 313 M CA -1.877 53.475 55.300 0.086 0.000 0.800 313 M CB 1.652 34.308 32.600 0.094 0.000 1.697 313 M HN -0.162 nan 8.290 nan 0.000 0.357 314 P HA 0.105 nan 4.420 nan 0.000 0.268 314 P C -0.631 176.650 177.300 -0.032 0.000 1.205 314 P CA -0.228 62.881 63.100 0.015 0.000 0.771 314 P CB 0.928 32.654 31.700 0.044 0.000 0.858 315 V N 4.747 124.638 119.914 -0.039 0.000 2.617 315 V HA 0.242 4.362 4.120 0.000 0.000 0.298 315 V C 1.465 177.551 176.094 -0.012 0.000 1.048 315 V CA -0.091 62.163 62.300 -0.076 0.000 0.964 315 V CB 1.303 33.025 31.823 -0.167 0.000 1.004 315 V HN 0.527 nan 8.190 nan 0.000 0.466 316 R N 0.942 121.400 120.500 -0.069 0.000 2.335 316 R HA 0.141 4.481 4.340 0.000 0.000 0.210 316 R C 0.124 176.370 176.300 -0.090 0.000 0.892 316 R CA -0.329 55.727 56.100 -0.075 0.000 1.048 316 R CB 0.269 30.481 30.300 -0.145 0.000 1.067 316 R HN 0.704 nan 8.270 nan 0.000 0.524 317 D N 1.476 121.815 120.400 -0.101 0.000 2.389 317 D HA -0.038 4.602 4.640 0.000 0.000 0.263 317 D C 0.546 176.755 176.300 -0.151 0.000 1.255 317 D CA 0.608 54.542 54.000 -0.110 0.000 0.914 317 D CB 1.229 41.971 40.800 -0.097 0.000 1.116 317 D HN 0.011 nan 8.370 nan 0.000 0.502 318 T N 4.297 118.750 114.554 -0.168 0.000 2.746 318 T HA -0.185 4.165 4.350 0.000 0.000 0.267 318 T C 1.861 176.475 174.700 -0.144 0.000 1.039 318 T CA 0.957 62.915 62.100 -0.236 0.000 1.142 318 T CB 0.058 68.818 68.868 -0.179 0.000 0.866 318 T HN 0.451 nan 8.240 nan 0.000 0.444 319 R N 0.598 121.046 120.500 -0.087 0.000 2.080 319 R HA -0.094 4.246 4.340 0.000 0.000 0.236 319 R C 2.405 178.676 176.300 -0.048 0.000 1.137 319 R CA 1.395 57.466 56.100 -0.049 0.000 0.943 319 R CB -0.704 29.574 30.300 -0.036 0.000 0.846 319 R HN 0.209 nan 8.270 nan 0.000 0.431 320 V N 1.501 121.373 119.914 -0.069 0.000 2.380 320 V HA -0.290 3.830 4.120 0.000 0.000 0.251 320 V C 2.334 178.383 176.094 -0.076 0.000 1.063 320 V CA 1.859 64.112 62.300 -0.078 0.000 1.055 320 V CB -0.378 31.375 31.823 -0.117 0.000 0.657 320 V HN 0.361 nan 8.190 nan 0.000 0.455 321 L N -1.252 119.916 121.223 -0.092 0.000 2.072 321 L HA -0.110 4.230 4.340 0.000 0.000 0.205 321 L C 2.312 179.221 176.870 0.064 0.000 1.079 321 L CA 1.225 56.035 54.840 -0.049 0.000 0.752 321 L CB -0.393 41.560 42.059 -0.176 0.000 0.906 321 L HN 0.282 nan 8.230 nan 0.000 0.436 322 L N -0.603 120.654 121.223 0.057 0.000 2.141 322 L HA -0.181 4.159 4.340 0.000 0.000 0.209 322 L C 2.486 179.403 176.870 0.079 0.000 1.094 322 L CA 1.163 56.064 54.840 0.103 0.000 0.763 322 L CB -0.414 41.694 42.059 0.082 0.000 0.908 322 L HN 0.291 nan 8.230 nan 0.000 0.437 323 E N -0.056 120.173 120.200 0.047 0.000 2.047 323 E HA -0.193 4.157 4.350 0.000 0.000 0.191 323 E C 2.356 178.998 176.600 0.070 0.000 0.987 323 E CA 0.912 57.340 56.400 0.047 0.000 0.799 323 E CB -0.002 29.713 29.700 0.024 0.000 0.752 323 E HN 0.404 nan 8.360 nan 0.000 0.449 324 R N 0.764 121.308 120.500 0.073 0.000 2.073 324 R HA -0.157 4.183 4.340 0.000 0.000 0.234 324 R C 2.458 178.853 176.300 0.157 0.000 1.134 324 R CA 1.397 57.567 56.100 0.117 0.000 0.952 324 R CB -0.206 30.153 30.300 0.098 0.000 0.850 324 R HN 0.228 nan 8.270 nan 0.000 0.433 325 Q N 0.352 120.256 119.800 0.174 0.000 2.096 325 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 325 Q C 2.214 178.362 176.000 0.247 0.000 0.982 325 Q CA 2.029 57.986 55.803 0.256 0.000 0.850 325 Q CB -0.056 28.792 28.738 0.183 0.000 0.901 325 Q HN 0.387 nan 8.270 nan 0.000 0.422 326 Q N -0.109 119.783 119.800 0.153 0.000 2.123 326 Q HA -0.094 4.246 4.340 0.000 0.000 0.199 326 Q C 1.724 177.783 176.000 0.099 0.000 0.966 326 Q CA 1.891 57.767 55.803 0.121 0.000 0.845 326 Q CB -0.236 28.550 28.738 0.081 0.000 0.907 326 Q HN 0.094 nan 8.270 nan 0.000 0.439 327 T N 0.995 115.601 114.554 0.087 0.000 2.746 327 T HA -0.092 4.258 4.350 0.000 0.000 0.267 327 T C 1.703 176.430 174.700 0.044 0.000 1.039 327 T CA 1.537 63.672 62.100 0.057 0.000 1.142 327 T CB -0.227 68.681 68.868 0.068 0.000 0.866 327 T HN 0.278 nan 8.240 nan 0.000 0.444 328 I N 0.992 121.595 120.570 0.055 0.000 2.315 328 I HA -0.076 4.094 4.170 0.000 0.000 0.248 328 I C 2.757 178.807 176.117 -0.111 0.000 1.117 328 I CA 1.217 62.484 61.300 -0.055 0.000 1.404 328 I CB -0.425 37.498 38.000 -0.128 0.000 1.071 328 I HN 0.307 nan 8.210 nan 0.000 0.419 329 G N -0.024 108.788 108.800 0.020 0.000 2.394 329 G HA2 -0.142 3.818 3.960 0.000 0.000 0.215 329 G HA3 -0.142 3.818 3.960 0.000 0.000 0.215 329 G C 1.835 176.782 174.900 0.079 0.000 1.165 329 G CA 0.637 45.788 45.100 0.084 0.000 0.784 329 G HN 0.461 nan 8.290 nan 0.000 0.535 330 A N 0.346 123.209 122.820 0.073 0.000 1.969 330 A HA 0.198 4.518 4.320 0.000 0.000 0.218 330 A C 2.177 179.822 177.584 0.101 0.000 1.169 330 A CA 0.848 52.926 52.037 0.069 0.000 0.635 330 A CB -0.245 18.765 19.000 0.016 0.000 0.810 330 A HN 0.347 nan 8.150 nan 0.000 0.445 331 L N -1.028 120.237 121.223 0.071 0.000 2.607 331 L HA 0.049 4.389 4.340 0.000 0.000 0.228 331 L C 2.283 179.267 176.870 0.191 0.000 1.123 331 L CA 0.067 54.981 54.840 0.124 0.000 0.890 331 L CB -0.160 41.911 42.059 0.021 0.000 1.103 331 L HN 0.459 nan 8.230 nan 0.000 0.468 332 Q N 0.226 120.084 119.800 0.097 0.000 2.124 332 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 332 Q C 1.106 177.046 176.000 -0.099 0.000 0.977 332 Q CA 1.478 57.267 55.803 -0.024 0.000 0.850 332 Q CB 0.196 28.898 28.738 -0.060 0.000 0.901 332 Q HN 0.462 nan 8.270 nan 0.000 0.429 333 D N -0.851 119.498 120.400 -0.085 0.000 2.323 333 D HA -0.056 4.584 4.640 0.000 0.000 0.209 333 D C 0.625 176.704 176.300 -0.368 0.000 0.973 333 D CA 0.656 54.471 54.000 -0.309 0.000 0.874 333 D CB 0.101 40.632 40.800 -0.448 0.000 0.930 333 D HN 0.221 nan 8.370 nan 0.000 0.521 334 F N 0.461 120.358 119.950 -0.088 0.000 2.765 334 F HA 0.049 4.576 4.527 0.000 0.000 0.302 334 F C 2.398 178.161 175.800 -0.062 0.000 1.111 334 F CA 0.223 58.185 58.000 -0.063 0.000 1.359 334 F CB -0.377 38.597 39.000 -0.045 0.000 1.097 334 F HN -0.097 nan 8.300 nan 0.000 0.577 335 T N -1.801 112.785 114.554 0.052 0.000 2.777 335 T HA -0.141 4.210 4.350 0.000 0.000 0.266 335 T C 2.290 176.990 174.700 0.001 0.000 1.040 335 T CA 1.111 63.223 62.100 0.021 0.000 1.141 335 T CB -0.555 68.305 68.868 -0.013 0.000 0.868 335 T HN 0.164 nan 8.240 nan 0.000 0.444 336 A N 1.330 124.131 122.820 -0.031 0.000 2.019 336 A HA 0.269 4.589 4.320 0.000 0.000 0.219 336 A C 2.610 180.188 177.584 -0.011 0.000 1.164 336 A CA 1.630 53.650 52.037 -0.028 0.000 0.644 336 A CB -1.434 17.536 19.000 -0.050 0.000 0.805 336 A HN 0.664 nan 8.150 nan 0.000 0.449 337 G N -0.597 108.204 108.800 0.002 0.000 2.411 337 G HA2 0.029 3.989 3.960 0.000 0.000 0.213 337 G HA3 0.029 3.989 3.960 0.000 0.000 0.213 337 G C 1.518 176.439 174.900 0.035 0.000 1.166 337 G CA 0.740 45.853 45.100 0.021 0.000 0.802 337 G HN 0.400 nan 8.290 nan 0.000 0.533 338 L N -0.104 121.149 121.223 0.050 0.000 2.072 338 L HA -0.016 4.324 4.340 0.000 0.000 0.205 338 L C 3.130 180.012 176.870 0.020 0.000 1.079 338 L CA 0.831 55.695 54.840 0.040 0.000 0.752 338 L CB -0.356 41.732 42.059 0.047 0.000 0.906 338 L HN 0.216 nan 8.230 nan 0.000 0.436 339 Q N -0.096 119.713 119.800 0.015 0.000 2.061 339 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 339 Q C -0.360 175.643 176.000 0.006 0.000 0.984 339 Q CA 1.701 57.508 55.803 0.006 0.000 0.846 339 Q CB -1.113 27.626 28.738 0.002 0.000 0.902 339 Q HN 0.421 nan 8.270 nan 0.000 0.421 340 P HA -0.133 nan 4.420 nan 0.000 0.218 340 P C 1.350 178.657 177.300 0.011 0.000 1.148 340 P CA 1.106 64.212 63.100 0.010 0.000 0.822 340 P CB 0.028 31.734 31.700 0.010 0.000 0.784 341 V N -0.622 119.297 119.914 0.007 0.000 2.323 341 V HA -0.175 3.945 4.120 0.000 0.000 0.244 341 V C 2.465 178.556 176.094 -0.005 0.000 1.041 341 V CA 1.398 63.697 62.300 -0.001 0.000 1.025 341 V CB -1.253 30.570 31.823 -0.001 0.000 0.656 341 V HN 0.056 nan 8.190 nan 0.000 0.451 342 L N -0.020 121.204 121.223 0.000 0.000 2.079 342 L HA -0.231 4.109 4.340 0.000 0.000 0.210 342 L C 2.787 179.657 176.870 -0.000 0.000 1.081 342 L CA 1.900 56.740 54.840 -0.001 0.000 0.752 342 L CB -0.546 41.512 42.059 -0.002 0.000 0.896 342 L HN 0.336 nan 8.230 nan 0.000 0.433 343 R N -0.193 120.310 120.500 0.005 0.000 2.091 343 R HA -0.211 4.129 4.340 0.000 0.000 0.238 343 R C 2.194 178.510 176.300 0.027 0.000 1.136 343 R CA 1.437 57.544 56.100 0.011 0.000 0.959 343 R CB -0.055 30.253 30.300 0.014 0.000 0.856 343 R HN 0.362 nan 8.270 nan 0.000 0.437 344 Q N 0.056 119.877 119.800 0.034 0.000 2.364 344 Q HA -0.078 4.262 4.340 0.000 0.000 0.207 344 Q C 2.079 178.109 176.000 0.050 0.000 0.970 344 Q CA 0.840 56.689 55.803 0.076 0.000 0.888 344 Q CB 0.001 28.763 28.738 0.039 0.000 0.951 344 Q HN 0.281 nan 8.270 nan 0.000 0.469 345 V N -0.108 119.806 119.914 0.001 0.000 2.515 345 V HA -0.114 4.006 4.120 0.000 0.000 0.250 345 V C 1.519 177.613 176.094 -0.000 0.000 1.058 345 V CA 1.442 63.735 62.300 -0.012 0.000 1.064 345 V CB -0.994 30.824 31.823 -0.009 0.000 0.675 345 V HN 0.588 nan 8.190 nan 0.000 0.461 346 G N 0.386 109.191 108.800 0.009 0.000 2.547 346 G HA2 -0.338 3.622 3.960 0.000 0.000 0.271 346 G HA3 -0.338 3.622 3.960 0.000 0.000 0.271 346 G C -0.024 174.867 174.900 -0.015 0.000 1.209 346 G CA 0.330 45.430 45.100 0.001 0.000 0.959 346 G HN 0.441 nan 8.290 nan 0.000 0.563 347 D N 0.715 121.102 120.400 -0.022 0.000 2.772 347 D HA 0.411 5.051 4.640 0.000 0.000 0.273 347 D C 1.679 177.957 176.300 -0.037 0.000 1.233 347 D CA -0.423 53.562 54.000 -0.027 0.000 0.984 347 D CB 0.354 41.139 40.800 -0.025 0.000 1.000 347 D HN 0.402 nan 8.370 nan 0.000 0.514 348 L N 1.777 122.975 121.223 -0.042 0.000 2.191 348 L HA -0.046 4.294 4.340 0.000 0.000 0.212 348 L C 1.877 178.719 176.870 -0.046 0.000 1.103 348 L CA 1.752 56.556 54.840 -0.061 0.000 0.769 348 L CB -0.309 41.714 42.059 -0.060 0.000 0.908 348 L HN 0.349 nan 8.230 nan 0.000 0.438 349 E N -0.407 119.779 120.200 -0.024 0.000 2.023 349 E HA -0.280 4.070 4.350 0.000 0.000 0.196 349 E C 2.292 178.878 176.600 -0.024 0.000 1.003 349 E CA 1.640 58.033 56.400 -0.011 0.000 0.809 349 E CB -0.104 29.596 29.700 0.000 0.000 0.755 349 E HN 0.499 nan 8.360 nan 0.000 0.449 350 R N -0.058 120.424 120.500 -0.030 0.000 2.115 350 R HA -0.041 4.299 4.340 0.000 0.000 0.226 350 R C 2.528 178.791 176.300 -0.063 0.000 1.100 350 R CA 1.053 57.129 56.100 -0.040 0.000 0.980 350 R CB -0.220 30.061 30.300 -0.032 0.000 0.875 350 R HN 0.334 nan 8.270 nan 0.000 0.445 351 I N 0.979 121.511 120.570 -0.064 0.000 2.226 351 I HA -0.296 3.874 4.170 0.000 0.000 0.245 351 I C 2.075 178.133 176.117 -0.098 0.000 1.100 351 I CA 1.388 62.643 61.300 -0.075 0.000 1.374 351 I CB -0.224 37.728 38.000 -0.080 0.000 1.057 351 I HN 0.146 nan 8.210 nan 0.000 0.413 352 L N 0.318 121.485 121.223 -0.093 0.000 2.201 352 L HA -0.127 4.213 4.340 0.000 0.000 0.212 352 L C 2.811 179.584 176.870 -0.161 0.000 1.105 352 L CA 0.850 55.629 54.840 -0.102 0.000 0.775 352 L CB -0.721 41.302 42.059 -0.061 0.000 0.913 352 L HN 0.224 nan 8.230 nan 0.000 0.440 353 A N 0.538 123.256 122.820 -0.170 0.000 1.877 353 A HA -0.206 4.114 4.320 0.000 0.000 0.216 353 A C 2.420 179.791 177.584 -0.355 0.000 1.186 353 A CA 1.485 53.333 52.037 -0.315 0.000 0.620 353 A CB -0.429 18.465 19.000 -0.177 0.000 0.822 353 A HN 0.301 nan 8.150 nan 0.000 0.443 354 R N -1.158 119.207 120.500 -0.225 0.000 2.096 354 R HA -0.096 4.244 4.340 0.000 0.000 0.235 354 R C 2.123 178.244 176.300 -0.298 0.000 1.127 354 R CA 1.319 57.292 56.100 -0.212 0.000 0.968 354 R CB -0.548 29.680 30.300 -0.122 0.000 0.861 354 R HN 0.508 nan 8.270 nan 0.000 0.440 355 L N 0.830 121.890 121.223 -0.272 0.000 2.012 355 L HA -0.164 4.176 4.340 0.000 0.000 0.210 355 L C 2.221 178.858 176.870 -0.388 0.000 1.073 355 L CA 2.154 56.789 54.840 -0.341 0.000 0.748 355 L CB -0.663 41.297 42.059 -0.165 0.000 0.891 355 L HN 0.132 nan 8.230 nan 0.000 0.431 356 A N -0.789 121.835 122.820 -0.326 0.000 1.972 356 A HA -0.124 4.196 4.320 0.000 0.000 0.219 356 A C 2.185 179.595 177.584 -0.290 0.000 1.169 356 A CA 1.886 53.748 52.037 -0.291 0.000 0.635 356 A CB -0.847 17.921 19.000 -0.387 0.000 0.810 356 A HN 0.519 nan 8.150 nan 0.000 0.446 357 L N -2.329 118.686 121.223 -0.347 0.000 2.558 357 L HA 0.133 4.473 4.340 0.000 0.000 0.225 357 L C 0.915 177.632 176.870 -0.256 0.000 1.128 357 L CA 0.117 54.810 54.840 -0.246 0.000 0.868 357 L CB -0.053 41.877 42.059 -0.215 0.000 1.006 357 L HN 0.381 nan 8.230 nan 0.000 0.454 358 R N -0.944 119.290 120.500 -0.443 0.000 3.651 358 R HA -0.178 4.162 4.340 0.000 0.000 0.292 358 R C 0.679 176.768 176.300 -0.352 0.000 1.161 358 R CA 0.789 56.508 56.100 -0.635 0.000 0.787 358 R CB -2.210 27.921 30.300 -0.283 0.000 1.249 358 R HN 0.180 nan 8.270 nan 0.000 0.476 359 T N -1.237 113.145 114.554 -0.287 0.000 3.010 359 T HA 0.288 4.638 4.350 0.000 0.000 0.257 359 T C 0.598 175.314 174.700 0.027 0.000 1.020 359 T CA 0.482 62.539 62.100 -0.072 0.000 0.938 359 T CB 0.509 69.325 68.868 -0.086 0.000 1.049 359 T HN 0.470 nan 8.240 nan 0.000 0.522 360 A N 2.275 125.085 122.820 -0.017 0.000 2.520 360 A HA 0.413 4.733 4.320 0.000 0.000 0.245 360 A C 0.503 178.309 177.584 0.370 0.000 1.072 360 A CA 0.060 52.180 52.037 0.137 0.000 0.761 360 A CB 0.184 19.249 19.000 0.108 0.000 1.004 360 A HN 0.417 nan 8.150 nan 0.000 0.499 361 R N 2.532 123.168 120.500 0.227 0.000 2.546 361 R HA 0.306 4.646 4.340 0.000 0.000 0.266 361 R C -1.795 174.652 176.300 0.244 0.000 1.086 361 R CA -1.688 54.536 56.100 0.206 0.000 1.160 361 R CB 0.133 30.482 30.300 0.081 0.000 1.138 361 R HN 0.412 nan 8.270 nan 0.000 0.567 362 P HA -0.109 nan 4.420 nan 0.000 0.217 362 P C 0.538 177.892 177.300 0.090 0.000 1.150 362 P CA 1.343 64.544 63.100 0.169 0.000 0.832 362 P CB 0.191 31.907 31.700 0.026 0.000 0.787 363 R N -0.664 119.862 120.500 0.043 0.000 2.189 363 R HA -0.068 4.272 4.340 0.000 0.000 0.218 363 R C 1.513 177.818 176.300 0.009 0.000 1.074 363 R CA 0.970 57.077 56.100 0.011 0.000 0.991 363 R CB -0.640 29.655 30.300 -0.008 0.000 0.883 363 R HN 0.270 nan 8.270 nan 0.000 0.457 364 D N 1.060 121.481 120.400 0.034 0.000 2.097 364 D HA -0.115 4.525 4.640 0.000 0.000 0.197 364 D C 1.990 178.289 176.300 -0.001 0.000 0.984 364 D CA 1.045 55.055 54.000 0.016 0.000 0.826 364 D CB -0.118 40.706 40.800 0.041 0.000 0.973 364 D HN 0.168 nan 8.370 nan 0.000 0.460 365 L N 0.684 121.931 121.223 0.041 0.000 2.201 365 L HA -0.095 4.245 4.340 0.000 0.000 0.212 365 L C 2.490 179.343 176.870 -0.027 0.000 1.105 365 L CA 0.793 55.634 54.840 0.002 0.000 0.775 365 L CB -0.431 41.639 42.059 0.018 0.000 0.913 365 L HN -0.030 nan 8.230 nan 0.000 0.440 366 A N 0.200 123.015 122.820 -0.008 0.000 1.873 366 A HA -0.169 4.151 4.320 0.000 0.000 0.215 366 A C 2.417 179.985 177.584 -0.027 0.000 1.186 366 A CA 1.193 53.220 52.037 -0.016 0.000 0.616 366 A CB -0.385 18.605 19.000 -0.016 0.000 0.823 366 A HN 0.274 nan 8.150 nan 0.000 0.442 367 R N -1.374 119.101 120.500 -0.042 0.000 2.115 367 R HA 0.005 4.346 4.340 0.000 0.000 0.226 367 R C 2.262 178.503 176.300 -0.099 0.000 1.100 367 R CA 1.269 57.348 56.100 -0.035 0.000 0.980 367 R CB -0.282 29.993 30.300 -0.041 0.000 0.875 367 R HN 0.656 nan 8.270 nan 0.000 0.445 368 M N 0.361 119.844 119.600 -0.195 0.000 2.132 368 M HA -0.190 4.290 4.480 0.000 0.000 0.263 368 M C 2.350 178.240 176.300 -0.685 0.000 1.065 368 M CA 1.553 56.582 55.300 -0.453 0.000 1.122 368 M CB -0.098 32.261 32.600 -0.401 0.000 1.365 368 M HN -0.005 nan 8.290 nan 0.000 0.411 369 R N -1.136 119.178 120.500 -0.310 0.000 2.073 369 R HA -0.250 4.090 4.340 0.000 0.000 0.234 369 R C 2.164 178.456 176.300 -0.014 0.000 1.134 369 R CA 2.215 58.256 56.100 -0.098 0.000 0.952 369 R CB -0.597 29.719 30.300 0.026 0.000 0.850 369 R HN 0.474 nan 8.270 nan 0.000 0.433 370 H N 0.075 119.086 119.070 -0.099 0.000 2.387 370 H HA -0.034 4.522 4.556 0.000 0.000 0.299 370 H C 1.683 176.982 175.328 -0.049 0.000 1.099 370 H CA 2.007 58.025 56.048 -0.050 0.000 1.315 370 H CB -0.111 29.620 29.762 -0.051 0.000 1.380 370 H HN 0.403 nan 8.280 nan 0.000 0.513 371 A N -0.119 122.622 122.820 -0.132 0.000 1.873 371 A HA -0.087 4.233 4.320 0.000 0.000 0.215 371 A C 2.008 179.582 177.584 -0.017 0.000 1.186 371 A CA 1.255 53.206 52.037 -0.145 0.000 0.616 371 A CB -0.928 17.956 19.000 -0.194 0.000 0.823 371 A HN 0.406 nan 8.150 nan 0.000 0.442 372 F N 0.444 120.398 119.950 0.006 0.000 2.192 372 F HA -0.195 4.332 4.527 0.000 0.000 0.301 372 F C 2.506 178.309 175.800 0.006 0.000 1.079 372 F CA 1.398 59.424 58.000 0.044 0.000 1.303 372 F CB -1.016 38.019 39.000 0.058 0.000 1.024 372 F HN 0.351 nan 8.300 nan 0.000 0.494 373 Q N -0.589 119.290 119.800 0.131 0.000 2.436 373 Q HA -0.118 4.222 4.340 0.000 0.000 0.209 373 Q C 1.755 177.734 176.000 -0.035 0.000 0.965 373 Q CA 0.566 56.388 55.803 0.032 0.000 0.910 373 Q CB -0.002 28.729 28.738 -0.012 0.000 0.980 373 Q HN 0.399 nan 8.270 nan 0.000 0.491 374 Q N -0.405 119.361 119.800 -0.056 0.000 2.402 374 Q HA 0.075 4.415 4.340 0.000 0.000 0.206 374 Q C 1.875 177.875 176.000 0.001 0.000 0.919 374 Q CA 0.361 56.128 55.803 -0.060 0.000 0.923 374 Q CB 0.388 29.067 28.738 -0.097 0.000 1.048 374 Q HN 0.419 nan 8.270 nan 0.000 0.515 375 L N 0.939 122.190 121.223 0.047 0.000 2.056 375 L HA -0.110 4.230 4.340 0.000 0.000 0.207 375 L C -0.525 176.357 176.870 0.020 0.000 1.078 375 L CA 1.178 56.052 54.840 0.057 0.000 0.749 375 L CB -1.881 40.245 42.059 0.112 0.000 0.901 375 L HN 0.104 nan 8.230 nan 0.000 0.433 376 P HA -0.221 nan 4.420 nan 0.000 0.215 376 P C 1.379 178.679 177.300 -0.001 0.000 1.157 376 P CA 1.362 64.462 63.100 -0.001 0.000 0.874 376 P CB 0.100 31.801 31.700 0.001 0.000 0.790 377 E N -0.258 119.942 120.200 0.001 0.000 2.110 377 E HA -0.157 4.193 4.350 0.000 0.000 0.193 377 E C 1.906 178.508 176.600 0.005 0.000 0.988 377 E CA 1.207 57.609 56.400 0.002 0.000 0.804 377 E CB -1.163 28.536 29.700 -0.002 0.000 0.745 377 E HN 0.126 nan 8.360 nan 0.000 0.458 378 L N -0.320 120.904 121.223 0.003 0.000 2.056 378 L HA -0.064 4.276 4.340 0.000 0.000 0.207 378 L C 2.753 179.618 176.870 -0.008 0.000 1.078 378 L CA 1.216 56.057 54.840 0.002 0.000 0.749 378 L CB -0.330 41.733 42.059 0.006 0.000 0.901 378 L HN 0.078 nan 8.230 nan 0.000 0.433 379 R N -0.112 120.381 120.500 -0.011 0.000 2.103 379 R HA -0.206 4.134 4.340 0.000 0.000 0.242 379 R C 2.404 178.691 176.300 -0.021 0.000 1.142 379 R CA 1.638 57.724 56.100 -0.022 0.000 0.960 379 R CB -0.467 29.817 30.300 -0.028 0.000 0.858 379 R HN 0.390 nan 8.270 nan 0.000 0.439 380 A N 0.618 123.433 122.820 -0.009 0.000 1.873 380 A HA -0.201 4.119 4.320 0.000 0.000 0.215 380 A C 2.012 179.602 177.584 0.010 0.000 1.186 380 A CA 1.210 53.248 52.037 0.000 0.000 0.616 380 A CB -0.419 18.585 19.000 0.007 0.000 0.823 380 A HN 0.341 nan 8.150 nan 0.000 0.442 381 Q N -0.712 119.099 119.800 0.019 0.000 2.170 381 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 381 Q C 1.850 177.835 176.000 -0.024 0.000 0.976 381 Q CA 1.231 57.063 55.803 0.049 0.000 0.858 381 Q CB -0.216 28.561 28.738 0.064 0.000 0.907 381 Q HN 0.670 nan 8.270 nan 0.000 0.433 382 L N -0.050 121.131 121.223 -0.070 0.000 2.509 382 L HA -0.035 4.305 4.340 0.000 0.000 0.222 382 L C 2.213 179.001 176.870 -0.137 0.000 1.123 382 L CA 0.258 55.009 54.840 -0.148 0.000 0.856 382 L CB -0.081 41.916 42.059 -0.104 0.000 0.985 382 L HN 0.249 nan 8.230 nan 0.000 0.456 383 E N 0.189 120.343 120.200 -0.077 0.000 2.106 383 E HA -0.247 4.103 4.350 0.000 0.000 0.192 383 E C 2.148 178.712 176.600 -0.061 0.000 0.984 383 E CA 1.657 58.022 56.400 -0.058 0.000 0.806 383 E CB 0.110 29.792 29.700 -0.030 0.000 0.750 383 E HN 0.301 nan 8.360 nan 0.000 0.458 384 T N -0.472 114.055 114.554 -0.045 0.000 2.833 384 T HA -0.079 4.271 4.350 0.000 0.000 0.269 384 T C 0.787 175.441 174.700 -0.077 0.000 1.054 384 T CA 0.824 62.923 62.100 -0.001 0.000 1.135 384 T CB -0.313 68.636 68.868 0.135 0.000 0.869 384 T HN -0.020 nan 8.240 nan 0.000 0.466 385 V N 3.845 123.581 119.914 -0.297 0.000 2.434 385 V HA 0.105 4.225 4.120 0.000 0.000 0.281 385 V C 0.415 176.407 176.094 -0.171 0.000 1.005 385 V CA -0.344 61.707 62.300 -0.414 0.000 1.089 385 V CB -0.050 31.380 31.823 -0.656 0.000 0.978 385 V HN 0.540 nan 8.190 nan 0.000 0.474 386 D N 4.906 125.261 120.400 -0.074 0.000 2.346 386 D HA 0.198 4.838 4.640 0.000 0.000 0.267 386 D C -0.064 176.218 176.300 -0.030 0.000 1.320 386 D CA 0.679 54.663 54.000 -0.028 0.000 0.951 386 D CB 0.364 41.172 40.800 0.013 0.000 1.079 386 D HN 0.597 nan 8.370 nan 0.000 0.509 387 S N 2.408 118.087 115.700 -0.035 0.000 2.467 387 S HA 0.421 4.891 4.470 0.000 0.000 0.320 387 S C 0.552 175.138 174.600 -0.022 0.000 0.940 387 S CA -0.111 58.075 58.200 -0.022 0.000 0.896 387 S CB -0.008 63.173 63.200 -0.032 0.000 1.172 387 S HN 0.466 nan 8.310 nan 0.000 0.450 388 A N 6.199 129.014 122.820 -0.008 0.000 1.883 388 A HA 0.125 4.445 4.320 0.000 0.000 0.217 388 A C -0.670 176.911 177.584 -0.004 0.000 1.186 388 A CA 1.905 53.938 52.037 -0.007 0.000 0.624 388 A CB -1.697 17.302 19.000 -0.000 0.000 0.822 388 A HN 0.640 nan 8.150 nan 0.000 0.444 389 P HA -0.124 nan 4.420 nan 0.000 0.216 389 P C 1.577 178.881 177.300 0.007 0.000 1.153 389 P CA 1.415 64.523 63.100 0.013 0.000 0.858 389 P CB -0.140 31.576 31.700 0.026 0.000 0.789 390 V N -0.345 119.563 119.914 -0.011 0.000 2.427 390 V HA -0.209 3.911 4.120 0.000 0.000 0.248 390 V C 2.485 178.557 176.094 -0.037 0.000 1.051 390 V CA 1.609 63.890 62.300 -0.031 0.000 1.048 390 V CB -1.068 30.710 31.823 -0.075 0.000 0.666 390 V HN 0.132 nan 8.190 nan 0.000 0.456 391 Q N -0.008 119.770 119.800 -0.037 0.000 2.119 391 Q HA -0.059 4.281 4.340 0.000 0.000 0.201 391 Q C 2.459 178.446 176.000 -0.021 0.000 0.972 391 Q CA 1.682 57.464 55.803 -0.035 0.000 0.847 391 Q CB -0.650 28.068 28.738 -0.033 0.000 0.903 391 Q HN 0.634 nan 8.270 nan 0.000 0.433 392 A N 0.968 123.783 122.820 -0.009 0.000 1.908 392 A HA -0.154 4.166 4.320 0.000 0.000 0.218 392 A C 2.251 179.839 177.584 0.008 0.000 1.181 392 A CA 1.184 53.222 52.037 0.001 0.000 0.627 392 A CB -0.724 18.281 19.000 0.009 0.000 0.818 392 A HN 0.311 nan 8.150 nan 0.000 0.445 393 L N -1.337 119.893 121.223 0.011 0.000 2.056 393 L HA -0.133 4.207 4.340 0.000 0.000 0.207 393 L C 2.768 179.643 176.870 0.009 0.000 1.078 393 L CA 1.537 56.389 54.840 0.021 0.000 0.749 393 L CB -0.427 41.648 42.059 0.027 0.000 0.901 393 L HN 0.426 nan 8.230 nan 0.000 0.433 394 R N 0.417 120.911 120.500 -0.010 0.000 2.105 394 R HA -0.255 4.085 4.340 0.000 0.000 0.239 394 R C 2.218 178.503 176.300 -0.025 0.000 1.135 394 R CA 2.052 58.139 56.100 -0.021 0.000 0.967 394 R CB -0.025 30.252 30.300 -0.038 0.000 0.861 394 R HN 0.444 nan 8.270 nan 0.000 0.442 395 E N 0.369 120.554 120.200 -0.024 0.000 2.076 395 E HA -0.169 4.181 4.350 0.000 0.000 0.190 395 E C 1.891 178.473 176.600 -0.029 0.000 0.979 395 E CA 1.110 57.489 56.400 -0.035 0.000 0.807 395 E CB -0.031 29.652 29.700 -0.029 0.000 0.761 395 E HN 0.153 nan 8.360 nan 0.000 0.454 396 K N 0.196 120.597 120.400 0.001 0.000 2.152 396 K HA -0.163 4.157 4.320 0.000 0.000 0.206 396 K C 2.184 178.814 176.600 0.050 0.000 1.048 396 K CA 1.570 57.874 56.287 0.030 0.000 0.933 396 K CB -0.194 32.334 32.500 0.046 0.000 0.721 396 K HN 0.307 nan 8.250 nan 0.000 0.447 397 M N 0.325 119.948 119.600 0.039 0.000 2.358 397 M HA -0.102 4.378 4.480 0.000 0.000 0.264 397 M C 0.698 177.030 176.300 0.053 0.000 1.064 397 M CA 1.587 56.930 55.300 0.071 0.000 1.093 397 M CB -0.491 32.136 32.600 0.044 0.000 1.401 397 M HN 0.363 nan 8.290 nan 0.000 0.440 398 G N 0.469 109.208 108.800 -0.102 0.000 2.697 398 G HA2 -0.345 3.615 3.960 0.000 0.000 0.240 398 G HA3 -0.345 3.615 3.960 0.000 0.000 0.240 398 G C -0.054 174.609 174.900 -0.396 0.000 1.346 398 G CA 0.309 45.166 45.100 -0.406 0.000 0.887 398 G HN 0.590 nan 8.290 nan 0.000 0.569 399 E N -2.712 117.052 120.200 -0.727 0.000 2.820 399 E HA 0.278 4.628 4.350 0.000 0.000 0.210 399 E C 0.397 176.802 176.600 -0.325 0.000 1.005 399 E CA 0.298 56.485 56.400 -0.356 0.000 1.678 399 E CB 0.367 29.918 29.700 -0.248 0.000 2.013 399 E HN 1.023 nan 8.360 nan 0.000 1.011 400 F N 0.054 119.837 119.950 -0.279 0.000 3.039 400 F HA -0.272 4.255 4.527 0.000 0.000 0.287 400 F C 0.988 176.513 175.800 -0.458 0.000 0.956 400 F CA 0.525 58.230 58.000 -0.491 0.000 0.971 400 F CB -2.027 36.419 39.000 -0.923 0.000 0.943 400 F HN 0.221 nan 8.300 nan 0.000 0.766 401 A N -0.495 122.223 122.820 -0.171 0.000 1.933 401 A HA -0.200 4.120 4.320 0.000 0.000 0.218 401 A C 2.155 179.683 177.584 -0.092 0.000 1.175 401 A CA 1.937 53.909 52.037 -0.107 0.000 0.628 401 A CB -0.345 18.607 19.000 -0.081 0.000 0.814 401 A HN 0.638 nan 8.150 nan 0.000 0.444 402 E N -0.313 119.824 120.200 -0.105 0.000 2.077 402 E HA -0.148 4.202 4.350 0.000 0.000 0.193 402 E C 1.903 178.455 176.600 -0.079 0.000 0.989 402 E CA 1.281 57.635 56.400 -0.076 0.000 0.800 402 E CB -0.245 29.408 29.700 -0.078 0.000 0.746 402 E HN 0.666 nan 8.360 nan 0.000 0.452 403 L N 0.190 121.314 121.223 -0.166 0.000 2.179 403 L HA -0.041 4.299 4.340 0.000 0.000 0.208 403 L C 2.667 179.531 176.870 -0.010 0.000 1.096 403 L CA 0.571 55.328 54.840 -0.137 0.000 0.779 403 L CB -0.347 41.534 42.059 -0.297 0.000 0.922 403 L HN 0.042 nan 8.230 nan 0.000 0.443 404 R N 0.736 121.198 120.500 -0.064 0.000 2.091 404 R HA -0.244 4.096 4.340 0.000 0.000 0.238 404 R C 1.909 178.271 176.300 0.103 0.000 1.136 404 R CA 2.325 58.527 56.100 0.170 0.000 0.959 404 R CB -0.220 30.159 30.300 0.131 0.000 0.856 404 R HN 0.292 nan 8.270 nan 0.000 0.437 405 D N 0.034 120.460 120.400 0.043 0.000 2.117 405 D HA -0.179 4.461 4.640 0.000 0.000 0.198 405 D C 1.950 178.282 176.300 0.053 0.000 0.982 405 D CA 0.956 54.982 54.000 0.044 0.000 0.828 405 D CB -0.053 40.764 40.800 0.028 0.000 0.967 405 D HN 0.207 nan 8.370 nan 0.000 0.464 406 L N 0.276 121.531 121.223 0.052 0.000 2.012 406 L HA -0.104 4.236 4.340 0.000 0.000 0.210 406 L C 2.034 178.906 176.870 0.004 0.000 1.073 406 L CA 1.675 56.550 54.840 0.060 0.000 0.748 406 L CB -0.601 41.496 42.059 0.064 0.000 0.891 406 L HN 0.191 nan 8.230 nan 0.000 0.431 407 L N -0.930 120.310 121.223 0.029 0.000 2.217 407 L HA -0.128 4.212 4.340 0.000 0.000 0.211 407 L C 2.428 179.290 176.870 -0.014 0.000 1.107 407 L CA 0.993 55.831 54.840 -0.003 0.000 0.783 407 L CB -0.563 41.534 42.059 0.064 0.000 0.919 407 L HN 0.374 nan 8.230 nan 0.000 0.442 408 E N 0.115 120.329 120.200 0.023 0.000 2.107 408 E HA -0.145 4.205 4.350 0.000 0.000 0.191 408 E C 2.223 178.825 176.600 0.004 0.000 0.982 408 E CA 0.752 57.166 56.400 0.023 0.000 0.809 408 E CB 0.094 29.821 29.700 0.045 0.000 0.756 408 E HN 0.415 nan 8.360 nan 0.000 0.459 409 R N -0.072 120.431 120.500 0.005 0.000 2.200 409 R HA 0.116 4.456 4.340 0.000 0.000 0.208 409 R C 1.972 178.208 176.300 -0.106 0.000 1.033 409 R CA 0.758 56.878 56.100 0.034 0.000 1.000 409 R CB 0.182 30.568 30.300 0.144 0.000 0.906 409 R HN 0.053 nan 8.270 nan 0.000 0.462 410 A N 0.634 123.250 122.820 -0.339 0.000 1.956 410 A HA 0.226 4.546 4.320 0.000 0.000 0.212 410 A C 0.946 178.294 177.584 -0.393 0.000 1.188 410 A CA 0.459 52.004 52.037 -0.820 0.000 0.675 410 A CB 0.437 18.946 19.000 -0.819 0.000 0.845 410 A HN 0.047 nan 8.150 nan 0.000 0.455 411 I N 0.694 121.150 120.570 -0.190 0.000 2.689 411 I HA 0.353 4.523 4.170 0.000 0.000 0.299 411 I C -0.181 175.911 176.117 -0.043 0.000 1.059 411 I CA -1.158 60.090 61.300 -0.088 0.000 1.055 411 I CB 2.085 40.054 38.000 -0.051 0.000 1.243 411 I HN 0.400 nan 8.210 nan 0.000 0.425 412 I N 0.284 120.841 120.570 -0.022 0.000 3.322 412 I HA 0.239 4.409 4.170 0.000 0.000 0.296 412 I C 0.683 176.795 176.117 -0.008 0.000 1.101 412 I CA -0.177 61.117 61.300 -0.010 0.000 1.166 412 I CB 0.401 38.397 38.000 -0.006 0.000 1.475 412 I HN 0.490 nan 8.210 nan 0.000 0.665 413 D N 0.950 121.347 120.400 -0.005 0.000 2.084 413 D HA -0.091 4.549 4.640 0.000 0.000 0.196 413 D C 0.978 177.268 176.300 -0.017 0.000 0.985 413 D CA 2.220 56.216 54.000 -0.006 0.000 0.826 413 D CB -0.231 40.567 40.800 -0.003 0.000 0.978 413 D HN 0.831 nan 8.370 nan 0.000 0.456 414 T N 0.140 114.683 114.554 -0.019 0.000 3.241 414 T HA 0.413 4.763 4.350 0.000 0.000 0.387 414 T C -2.592 172.095 174.700 -0.023 0.000 1.451 414 T CA -1.613 60.471 62.100 -0.027 0.000 1.363 414 T CB 1.798 70.648 68.868 -0.030 0.000 1.074 414 T HN -0.156 nan 8.240 nan 0.000 0.598 415 P HA 0.364 nan 4.420 nan 0.000 0.272 415 P C -2.453 174.830 177.300 -0.028 0.000 1.240 415 P CA -1.271 61.816 63.100 -0.021 0.000 0.791 415 P CB 0.131 31.823 31.700 -0.012 0.000 0.978 416 P HA 0.043 nan 4.420 nan 0.000 0.277 416 P C 0.980 178.256 177.300 -0.040 0.000 1.276 416 P CA -0.271 62.806 63.100 -0.038 0.000 0.788 416 P CB 0.560 32.233 31.700 -0.044 0.000 1.114 417 V N -0.825 119.067 119.914 -0.036 0.000 2.515 417 V HA -0.100 4.020 4.120 0.000 0.000 0.250 417 V C 1.291 177.362 176.094 -0.037 0.000 1.058 417 V CA 1.584 63.866 62.300 -0.029 0.000 1.064 417 V CB -0.909 30.900 31.823 -0.024 0.000 0.675 417 V HN 0.320 nan 8.190 nan 0.000 0.461 418 L N -0.884 120.305 121.223 -0.057 0.000 2.354 418 L HA 0.409 4.749 4.340 0.000 0.000 0.264 418 L C 0.863 177.647 176.870 -0.144 0.000 1.008 418 L CA -0.502 54.290 54.840 -0.080 0.000 0.819 418 L CB 2.022 44.055 42.059 -0.043 0.000 1.339 418 L HN -0.037 nan 8.230 nan 0.000 0.420 419 V N -1.710 118.063 119.914 -0.235 0.000 3.306 419 V HA -0.007 4.113 4.120 0.000 0.000 0.264 419 V C 2.184 178.176 176.094 -0.171 0.000 1.149 419 V CA 0.747 62.863 62.300 -0.307 0.000 1.143 419 V CB -0.821 30.656 31.823 -0.577 0.000 0.767 419 V HN 0.946 nan 8.190 nan 0.000 0.476 420 R N 1.318 121.756 120.500 -0.102 0.000 2.096 420 R HA -0.213 4.127 4.340 0.000 0.000 0.240 420 R C 1.466 177.737 176.300 -0.049 0.000 1.139 420 R CA 2.444 58.515 56.100 -0.048 0.000 0.952 420 R CB -0.419 29.885 30.300 0.007 0.000 0.854 420 R HN 0.591 nan 8.270 nan 0.000 0.436 421 D N -0.248 120.119 120.400 -0.053 0.000 2.328 421 D HA 0.148 4.788 4.640 0.000 0.000 0.221 421 D C 0.933 177.198 176.300 -0.058 0.000 1.072 421 D CA 0.869 54.839 54.000 -0.050 0.000 0.850 421 D CB 0.471 41.245 40.800 -0.044 0.000 0.922 421 D HN 0.524 nan 8.370 nan 0.000 0.516 422 G N 0.835 109.591 108.800 -0.074 0.000 2.645 422 G HA2 -0.080 3.880 3.960 0.000 0.000 0.239 422 G HA3 -0.080 3.880 3.960 0.000 0.000 0.239 422 G C 0.749 175.614 174.900 -0.059 0.000 1.331 422 G CA 0.050 45.109 45.100 -0.068 0.000 0.890 422 G HN 0.806 nan 8.290 nan 0.000 0.572 423 G N -2.893 105.884 108.800 -0.038 0.000 2.273 423 G HA2 0.077 4.037 3.960 0.000 0.000 0.280 423 G HA3 0.077 4.037 3.960 0.000 0.000 0.280 423 G C 0.893 175.773 174.900 -0.032 0.000 1.047 423 G CA 1.277 46.361 45.100 -0.027 0.000 0.869 423 G HN 1.826 nan 8.290 nan 0.000 0.502 424 V N -0.160 119.733 119.914 -0.036 0.000 2.911 424 V HA 0.301 4.421 4.120 0.000 0.000 0.237 424 V C 1.584 177.673 176.094 -0.008 0.000 1.156 424 V CA 0.572 62.850 62.300 -0.036 0.000 1.180 424 V CB 0.028 31.795 31.823 -0.094 0.000 0.932 424 V HN 0.369 nan 8.190 nan 0.000 0.483 425 I N 1.424 121.998 120.570 0.007 0.000 2.634 425 I HA 0.353 4.523 4.170 0.000 0.000 0.284 425 I C 0.624 176.753 176.117 0.020 0.000 1.124 425 I CA 0.193 61.499 61.300 0.010 0.000 1.417 425 I CB 0.582 38.625 38.000 0.073 0.000 1.396 425 I HN 0.213 nan 8.210 nan 0.000 0.571 426 A N 5.040 127.864 122.820 0.007 0.000 2.252 426 A HA 0.524 4.844 4.320 0.000 0.000 0.305 426 A C 0.349 177.981 177.584 0.079 0.000 1.097 426 A CA -0.400 51.655 52.037 0.031 0.000 0.849 426 A CB 0.339 19.345 19.000 0.010 0.000 1.142 426 A HN 0.696 nan 8.150 nan 0.000 0.499 427 S N -0.607 115.132 115.700 0.066 0.000 2.549 427 S HA 0.453 4.923 4.470 0.000 0.000 0.279 427 S C 1.280 175.933 174.600 0.089 0.000 1.321 427 S CA 0.823 59.066 58.200 0.072 0.000 1.054 427 S CB 0.776 64.005 63.200 0.049 0.000 0.899 427 S HN 2.115 nan 8.310 nan 0.000 0.497 428 G N 1.577 110.432 108.800 0.091 0.000 2.213 428 G HA2 -0.316 3.644 3.960 0.000 0.000 0.236 428 G HA3 -0.316 3.644 3.960 0.000 0.000 0.236 428 G C 0.573 175.539 174.900 0.111 0.000 0.991 428 G CA 0.429 45.577 45.100 0.080 0.000 0.629 428 G HN 0.730 nan 8.290 nan 0.000 0.517 429 Y N 1.537 121.849 120.300 0.019 0.000 2.286 429 Y HA 0.304 4.854 4.550 0.000 0.000 0.293 429 Y C 1.042 176.954 175.900 0.020 0.000 1.124 429 Y CA 1.558 59.670 58.100 0.020 0.000 1.178 429 Y CB 0.394 38.867 38.460 0.023 0.000 1.010 429 Y HN 0.292 nan 8.280 nan 0.000 0.536 430 N N 0.494 119.187 118.700 -0.012 0.000 2.430 430 N HA 0.046 4.787 4.740 0.000 0.000 0.290 430 N C 0.331 175.839 175.510 -0.003 0.000 1.063 430 N CA 0.125 53.127 53.050 -0.080 0.000 0.883 430 N CB 1.351 39.827 38.487 -0.018 0.000 1.465 430 N HN 0.498 nan 8.380 nan 0.000 0.493 431 E N 2.309 122.489 120.200 -0.033 0.000 2.072 431 E HA -0.191 4.159 4.350 0.000 0.000 0.190 431 E C 0.962 177.543 176.600 -0.031 0.000 0.982 431 E CA 0.906 57.290 56.400 -0.027 0.000 0.803 431 E CB -0.079 29.595 29.700 -0.044 0.000 0.755 431 E HN 0.677 nan 8.360 nan 0.000 0.453 432 E N 0.600 120.785 120.200 -0.024 0.000 2.130 432 E HA -0.212 4.139 4.350 0.000 0.000 0.196 432 E C 2.155 178.807 176.600 0.088 0.000 0.998 432 E CA 1.068 57.452 56.400 -0.027 0.000 0.806 432 E CB -0.022 29.708 29.700 0.051 0.000 0.738 432 E HN 0.280 nan 8.360 nan 0.000 0.459 433 L N 1.206 122.520 121.223 0.150 0.000 2.072 433 L HA -0.116 4.224 4.340 0.000 0.000 0.205 433 L C 1.563 178.529 176.870 0.160 0.000 1.079 433 L CA 1.846 56.816 54.840 0.217 0.000 0.752 433 L CB -0.337 41.821 42.059 0.164 0.000 0.906 433 L HN 0.011 nan 8.230 nan 0.000 0.436 434 D N -0.244 120.206 120.400 0.084 0.000 2.117 434 D HA -0.239 4.401 4.640 0.000 0.000 0.197 434 D C 2.021 178.335 176.300 0.024 0.000 0.987 434 D CA 1.453 55.485 54.000 0.053 0.000 0.829 434 D CB -0.033 40.784 40.800 0.028 0.000 0.961 434 D HN 0.544 nan 8.370 nan 0.000 0.460 435 E N -0.529 119.646 120.200 -0.042 0.000 2.097 435 E HA -0.192 4.158 4.350 0.000 0.000 0.196 435 E C 1.994 178.511 176.600 -0.138 0.000 1.000 435 E CA 1.132 57.441 56.400 -0.152 0.000 0.804 435 E CB -0.107 29.417 29.700 -0.294 0.000 0.740 435 E HN 0.417 nan 8.360 nan 0.000 0.454 436 W N 0.014 121.305 121.300 -0.015 0.000 2.453 436 W HA 0.035 4.695 4.660 0.000 0.000 0.289 436 W C 2.645 179.150 176.519 -0.024 0.000 1.215 436 W CA 0.183 57.515 57.345 -0.022 0.000 1.297 436 W CB 0.056 29.504 29.460 -0.021 0.000 1.113 436 W HN -0.005 nan 8.180 nan 0.000 0.551 437 R N 0.314 120.944 120.500 0.218 0.000 2.096 437 R HA -0.149 4.192 4.340 0.000 0.000 0.235 437 R C 2.324 178.672 176.300 0.081 0.000 1.127 437 R CA 1.489 57.661 56.100 0.119 0.000 0.968 437 R CB -0.631 29.721 30.300 0.087 0.000 0.861 437 R HN 0.131 nan 8.270 nan 0.000 0.440 438 A N 0.891 123.748 122.820 0.062 0.000 1.917 438 A HA -0.178 4.142 4.320 0.000 0.000 0.219 438 A C 1.938 179.544 177.584 0.036 0.000 1.182 438 A CA 1.191 53.247 52.037 0.031 0.000 0.633 438 A CB -0.394 18.604 19.000 -0.003 0.000 0.819 438 A HN 0.131 nan 8.150 nan 0.000 0.448 439 L N -0.894 120.362 121.223 0.054 0.000 2.007 439 L HA -0.001 4.339 4.340 0.000 0.000 0.205 439 L C 2.237 179.127 176.870 0.032 0.000 1.073 439 L CA 1.709 56.577 54.840 0.047 0.000 0.744 439 L CB -1.706 40.406 42.059 0.089 0.000 0.898 439 L HN 0.397 nan 8.230 nan 0.000 0.435 440 A N -0.340 122.504 122.820 0.040 0.000 3.029 440 A HA 0.088 4.408 4.320 0.000 0.000 0.251 440 A C 0.903 178.503 177.584 0.027 0.000 1.749 440 A CA 0.614 52.651 52.037 0.000 0.000 1.386 440 A CB -0.697 18.293 19.000 -0.017 0.000 1.043 440 A HN 0.575 nan 8.150 nan 0.000 0.638 441 D N -0.398 120.031 120.400 0.050 0.000 1.520 441 D HA -0.080 4.560 4.640 0.000 0.000 0.776 441 D C 1.052 177.393 176.300 0.069 0.000 0.570 441 D CA 0.719 54.753 54.000 0.055 0.000 1.290 441 D CB -0.671 40.155 40.800 0.043 0.000 1.181 441 D HN 0.410 nan 8.370 nan 0.000 0.425 442 G N 1.219 110.063 108.800 0.072 0.000 3.102 442 G HA2 0.474 4.434 3.960 0.000 0.000 0.264 442 G HA3 0.474 4.434 3.960 0.000 0.000 0.264 442 G C 0.430 175.419 174.900 0.148 0.000 0.788 442 G CA 0.796 45.950 45.100 0.089 0.000 2.029 442 G HN 0.353 nan 8.290 nan 0.000 0.608 443 A N 0.741 123.658 122.820 0.161 0.000 1.848 443 A HA 0.267 4.588 4.320 0.000 0.000 0.184 443 A C 2.121 179.809 177.584 0.173 0.000 1.946 443 A CA 1.139 53.325 52.037 0.249 0.000 1.093 443 A CB -0.174 18.953 19.000 0.211 0.000 1.014 443 A HN 0.271 nan 8.150 nan 0.000 0.638 444 T N 1.658 116.287 114.554 0.125 0.000 3.023 444 T HA -0.028 4.322 4.350 0.000 0.000 0.266 444 T C 1.244 175.971 174.700 0.044 0.000 1.093 444 T CA 1.499 63.649 62.100 0.084 0.000 1.129 444 T CB -0.509 68.401 68.868 0.071 0.000 0.899 444 T HN 0.670 nan 8.240 nan 0.000 0.491 445 D N 0.787 121.218 120.400 0.052 0.000 2.117 445 D HA -0.167 4.473 4.640 0.000 0.000 0.198 445 D C 1.843 178.146 176.300 0.006 0.000 0.982 445 D CA 0.730 54.745 54.000 0.027 0.000 0.828 445 D CB -0.761 40.061 40.800 0.037 0.000 0.967 445 D HN 0.479 nan 8.370 nan 0.000 0.464 446 Y N 0.941 121.177 120.300 -0.106 0.000 2.242 446 Y HA 0.050 4.600 4.550 0.000 0.000 0.291 446 Y C 1.871 177.612 175.900 -0.266 0.000 1.137 446 Y CA 1.177 59.163 58.100 -0.191 0.000 1.181 446 Y CB -0.192 38.110 38.460 -0.264 0.000 0.989 446 Y HN -0.045 nan 8.280 nan 0.000 0.527 447 L N 0.142 121.283 121.223 -0.138 0.000 2.179 447 L HA -0.099 4.241 4.340 0.000 0.000 0.208 447 L C 2.561 179.326 176.870 -0.175 0.000 1.096 447 L CA 1.353 56.075 54.840 -0.196 0.000 0.779 447 L CB -0.442 41.588 42.059 -0.049 0.000 0.922 447 L HN 0.272 nan 8.230 nan 0.000 0.443 448 E N 0.386 120.515 120.200 -0.119 0.000 2.107 448 E HA -0.190 4.160 4.350 0.000 0.000 0.191 448 E C 2.293 178.810 176.600 -0.138 0.000 0.982 448 E CA 0.824 57.169 56.400 -0.090 0.000 0.809 448 E CB 0.220 29.891 29.700 -0.048 0.000 0.756 448 E HN 0.398 nan 8.360 nan 0.000 0.459 449 R N 0.152 120.527 120.500 -0.208 0.000 2.066 449 R HA -0.125 4.215 4.340 0.000 0.000 0.232 449 R C 2.591 178.725 176.300 -0.276 0.000 1.131 449 R CA 1.059 57.024 56.100 -0.224 0.000 0.955 449 R CB -0.384 29.770 30.300 -0.243 0.000 0.851 449 R HN 0.163 nan 8.270 nan 0.000 0.432 450 L N 1.661 122.614 121.223 -0.451 0.000 2.079 450 L HA -0.204 4.136 4.340 0.000 0.000 0.210 450 L C 2.159 178.915 176.870 -0.190 0.000 1.081 450 L CA 1.933 56.544 54.840 -0.381 0.000 0.752 450 L CB -0.475 41.265 42.059 -0.531 0.000 0.896 450 L HN 0.202 nan 8.230 nan 0.000 0.433 451 E N -1.012 119.095 120.200 -0.155 0.000 2.047 451 E HA -0.178 4.172 4.350 0.000 0.000 0.191 451 E C 1.979 178.553 176.600 -0.044 0.000 0.987 451 E CA 1.737 58.097 56.400 -0.067 0.000 0.799 451 E CB -0.071 29.601 29.700 -0.045 0.000 0.752 451 E HN 0.399 nan 8.360 nan 0.000 0.449 452 V N 1.228 121.105 119.914 -0.062 0.000 2.323 452 V HA -0.202 3.918 4.120 0.000 0.000 0.244 452 V C 2.635 178.704 176.094 -0.042 0.000 1.041 452 V CA 1.968 64.242 62.300 -0.043 0.000 1.025 452 V CB -0.677 31.118 31.823 -0.046 0.000 0.656 452 V HN 0.311 nan 8.190 nan 0.000 0.451 453 R N 0.249 120.711 120.500 -0.065 0.000 2.113 453 R HA -0.225 4.115 4.340 0.000 0.000 0.244 453 R C 2.213 178.496 176.300 -0.028 0.000 1.142 453 R CA 2.124 58.190 56.100 -0.056 0.000 0.953 453 R CB -0.204 30.045 30.300 -0.085 0.000 0.860 453 R HN 0.464 nan 8.270 nan 0.000 0.438 454 E N 0.011 120.203 120.200 -0.014 0.000 2.170 454 E HA -0.144 4.206 4.350 0.000 0.000 0.191 454 E C 1.995 178.616 176.600 0.035 0.000 0.981 454 E CA 0.684 57.106 56.400 0.036 0.000 0.830 454 E CB -0.170 29.586 29.700 0.092 0.000 0.775 454 E HN 0.389 nan 8.360 nan 0.000 0.470 455 R N 1.359 121.873 120.500 0.023 0.000 2.081 455 R HA -0.132 4.208 4.340 0.000 0.000 0.235 455 R C 1.930 178.229 176.300 -0.003 0.000 1.131 455 R CA 1.553 57.663 56.100 0.017 0.000 0.960 455 R CB 0.067 30.377 30.300 0.016 0.000 0.856 455 R HN 0.103 nan 8.270 nan 0.000 0.436 456 E N -0.334 119.860 120.200 -0.010 0.000 2.107 456 E HA -0.170 4.180 4.350 0.000 0.000 0.191 456 E C 2.119 178.706 176.600 -0.022 0.000 0.982 456 E CA 0.667 57.057 56.400 -0.017 0.000 0.809 456 E CB -0.022 29.666 29.700 -0.019 0.000 0.756 456 E HN 0.301 nan 8.360 nan 0.000 0.459 457 R N 0.742 121.228 120.500 -0.022 0.000 2.066 457 R HA -0.109 4.231 4.340 0.000 0.000 0.232 457 R C 2.423 178.696 176.300 -0.046 0.000 1.131 457 R CA 1.963 58.046 56.100 -0.029 0.000 0.955 457 R CB -0.184 30.103 30.300 -0.021 0.000 0.851 457 R HN 0.192 nan 8.270 nan 0.000 0.432 458 T N -3.282 111.240 114.554 -0.053 0.000 3.043 458 T HA 0.114 4.464 4.350 0.000 0.000 0.263 458 T C 1.322 175.978 174.700 -0.074 0.000 1.094 458 T CA 0.593 62.639 62.100 -0.090 0.000 1.127 458 T CB 0.077 68.872 68.868 -0.121 0.000 0.905 458 T HN 0.437 nan 8.240 nan 0.000 0.490 459 G N 1.539 110.311 108.800 -0.047 0.000 2.249 459 G HA2 -0.209 3.751 3.960 0.000 0.000 0.273 459 G HA3 -0.209 3.751 3.960 0.000 0.000 0.273 459 G C -0.120 174.758 174.900 -0.036 0.000 1.036 459 G CA 0.313 45.391 45.100 -0.038 0.000 0.824 459 G HN 0.658 nan 8.290 nan 0.000 0.504 460 L N 0.937 122.141 121.223 -0.031 0.000 2.301 460 L HA 0.330 4.670 4.340 0.000 0.000 0.278 460 L C 1.053 177.928 176.870 0.007 0.000 1.022 460 L CA -0.497 54.331 54.840 -0.020 0.000 0.854 460 L CB 1.264 43.304 42.059 -0.031 0.000 1.226 460 L HN 0.272 nan 8.230 nan 0.000 0.429 461 D N -0.390 120.015 120.400 0.009 0.000 2.371 461 D HA -0.144 4.496 4.640 0.000 0.000 0.221 461 D C 1.468 177.786 176.300 0.030 0.000 0.986 461 D CA 0.903 54.913 54.000 0.017 0.000 0.899 461 D CB 0.038 40.845 40.800 0.011 0.000 0.902 461 D HN 0.542 nan 8.370 nan 0.000 0.530 462 T N -2.177 112.402 114.554 0.041 0.000 3.081 462 T HA 0.081 4.431 4.350 0.000 0.000 0.255 462 T C 1.051 175.797 174.700 0.077 0.000 1.113 462 T CA -0.593 61.540 62.100 0.056 0.000 1.082 462 T CB -0.506 68.398 68.868 0.060 0.000 0.939 462 T HN 0.174 nan 8.240 nan 0.000 0.506 463 L N 2.028 123.299 121.223 0.080 0.000 2.615 463 L HA 0.207 4.548 4.340 0.000 0.000 0.271 463 L C -0.156 176.774 176.870 0.100 0.000 1.183 463 L CA 0.437 55.343 54.840 0.111 0.000 0.933 463 L CB 0.113 42.235 42.059 0.105 0.000 1.199 463 L HN 0.181 nan 8.230 nan 0.000 0.487 464 K N 3.483 123.960 120.400 0.129 0.000 2.400 464 K HA 0.649 4.969 4.320 0.000 0.000 0.246 464 K C -1.445 175.225 176.600 0.117 0.000 0.995 464 K CA -0.970 55.383 56.287 0.110 0.000 0.840 464 K CB 2.551 35.122 32.500 0.119 0.000 1.293 464 K HN 0.275 nan 8.250 nan 0.000 0.445 465 V N 0.967 120.912 119.914 0.052 0.000 2.513 465 V HA 0.682 4.803 4.120 0.000 0.000 0.299 465 V C 0.146 176.170 176.094 -0.117 0.000 1.035 465 V CA -0.460 61.829 62.300 -0.019 0.000 0.889 465 V CB 1.545 33.360 31.823 -0.013 0.000 0.988 465 V HN 0.984 nan 8.190 nan 0.000 0.440 466 G N 2.487 110.974 108.800 -0.521 0.000 2.766 466 G HA2 0.750 4.710 3.960 0.000 0.000 0.288 466 G HA3 0.750 4.710 3.960 0.000 0.000 0.288 466 G C -2.058 172.385 174.900 -0.762 0.000 1.408 466 G CA -0.561 44.156 45.100 -0.639 0.000 0.852 466 G HN 0.512 nan 8.290 nan 0.000 0.487 467 F N 0.813 120.460 119.950 -0.506 0.000 2.576 467 F HA 0.733 5.260 4.527 0.000 0.000 0.313 467 F C -0.874 174.891 175.800 -0.058 0.000 1.078 467 F CA -1.095 56.633 58.000 -0.454 0.000 0.921 467 F CB 2.463 41.025 39.000 -0.730 0.000 1.232 467 F HN 0.492 nan 8.300 nan 0.000 0.459 468 N N 3.571 121.665 118.700 -1.011 0.000 2.425 468 N HA 0.350 5.090 4.740 0.000 0.000 0.289 468 N C -0.291 174.566 175.510 -1.088 0.000 1.074 468 N CA 0.147 52.840 53.050 -0.595 0.000 0.905 468 N CB 2.269 40.714 38.487 -0.070 0.000 1.586 468 N HN 0.853 nan 8.380 nan 0.000 0.490 469 A N 2.765 125.202 122.820 -0.639 0.000 2.019 469 A HA -0.027 4.293 4.320 0.000 0.000 0.219 469 A C 1.665 179.061 177.584 -0.313 0.000 1.164 469 A CA 1.524 53.334 52.037 -0.379 0.000 0.644 469 A CB -0.138 18.827 19.000 -0.057 0.000 0.805 469 A HN 0.457 nan 8.150 nan 0.000 0.449 470 V N -1.171 118.529 119.914 -0.357 0.000 2.535 470 V HA -0.113 4.007 4.120 0.000 0.000 0.246 470 V C 1.724 177.447 176.094 -0.618 0.000 1.045 470 V CA 1.964 63.980 62.300 -0.472 0.000 1.058 470 V CB -0.798 30.682 31.823 -0.572 0.000 0.689 470 V HN 0.771 nan 8.190 nan 0.000 0.461 471 H N -0.821 118.140 119.070 -0.180 0.000 2.893 471 H HA 0.535 5.091 4.556 0.000 0.000 0.270 471 H C 1.157 176.429 175.328 -0.093 0.000 1.095 471 H CA 0.450 56.431 56.048 -0.113 0.000 1.186 471 H CB 0.639 30.340 29.762 -0.101 0.000 1.562 471 H HN 0.473 nan 8.280 nan 0.000 0.536 472 G N 0.337 109.026 108.800 -0.185 0.000 2.642 472 G HA2 -0.310 3.650 3.960 0.000 0.000 0.231 472 G HA3 -0.310 3.650 3.960 0.000 0.000 0.231 472 G C -0.704 174.155 174.900 -0.069 0.000 1.338 472 G CA -0.649 44.379 45.100 -0.119 0.000 0.883 472 G HN 0.274 nan 8.290 nan 0.000 0.570 473 Y N 0.593 121.049 120.300 0.260 0.000 2.480 473 Y HA 0.493 5.043 4.550 0.000 0.000 0.338 473 Y C 1.013 177.005 175.900 0.154 0.000 1.220 473 Y CA 1.444 59.663 58.100 0.199 0.000 1.430 473 Y CB 0.580 39.197 38.460 0.262 0.000 1.311 473 Y HN 0.805 nan 8.280 nan 0.000 0.575 474 Y N -0.875 119.577 120.300 0.254 0.000 2.625 474 Y HA 0.736 5.286 4.550 0.000 0.000 0.338 474 Y C -1.663 174.307 175.900 0.117 0.000 1.123 474 Y CA -2.271 55.906 58.100 0.129 0.000 1.046 474 Y CB 0.788 39.273 38.460 0.042 0.000 1.299 474 Y HN 0.351 nan 8.280 nan 0.000 0.464 475 I N 2.697 123.456 120.570 0.315 0.000 2.330 475 I HA 0.307 4.477 4.170 0.000 0.000 0.289 475 I C -0.476 175.893 176.117 0.420 0.000 1.001 475 I CA -0.615 60.840 61.300 0.258 0.000 1.193 475 I CB 1.670 39.684 38.000 0.022 0.000 1.345 475 I HN 0.642 nan 8.210 nan 0.000 0.461 476 Q N 6.846 126.898 119.800 0.420 0.000 2.241 476 Q HA 0.678 5.018 4.340 0.000 0.000 0.254 476 Q C -1.299 174.861 176.000 0.267 0.000 0.917 476 Q CA -0.508 55.477 55.803 0.305 0.000 0.919 476 Q CB 1.645 30.551 28.738 0.280 0.000 1.237 476 Q HN 0.592 nan 8.270 nan 0.000 0.434 477 I N 2.073 122.801 120.570 0.263 0.000 2.647 477 I HA 0.256 4.427 4.170 0.000 0.000 0.295 477 I C 0.016 176.223 176.117 0.151 0.000 1.078 477 I CA -0.905 60.525 61.300 0.216 0.000 1.048 477 I CB 2.274 40.434 38.000 0.267 0.000 1.239 477 I HN 0.714 nan 8.210 nan 0.000 0.421 478 S N 4.522 120.287 115.700 0.107 0.000 2.589 478 S HA 0.177 4.647 4.470 0.000 0.000 0.265 478 S C 1.122 175.776 174.600 0.091 0.000 1.342 478 S CA -0.243 58.004 58.200 0.078 0.000 1.005 478 S CB 1.177 64.415 63.200 0.063 0.000 0.909 478 S HN 0.802 nan 8.310 nan 0.000 0.555 479 R N 1.340 121.881 120.500 0.067 0.000 2.080 479 R HA -0.060 4.280 4.340 0.000 0.000 0.236 479 R C 2.328 178.695 176.300 0.113 0.000 1.137 479 R CA 1.799 57.943 56.100 0.072 0.000 0.943 479 R CB -1.336 28.985 30.300 0.035 0.000 0.846 479 R HN 0.879 nan 8.270 nan 0.000 0.431 480 G N -0.768 108.091 108.800 0.099 0.000 2.586 480 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 480 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 480 G C 1.040 176.074 174.900 0.223 0.000 1.128 480 G CA 0.388 45.569 45.100 0.135 0.000 0.774 480 G HN 0.446 nan 8.290 nan 0.000 0.543 481 Q N -0.382 119.510 119.800 0.153 0.000 2.189 481 Q HA 0.065 4.405 4.340 0.000 0.000 0.223 481 Q C 2.413 178.414 176.000 0.002 0.000 0.828 481 Q CA 0.406 56.236 55.803 0.045 0.000 0.967 481 Q CB 0.680 29.432 28.738 0.024 0.000 1.139 481 Q HN 0.549 nan 8.270 nan 0.000 0.497 482 S N 0.306 116.090 115.700 0.139 0.000 2.461 482 S HA -0.141 4.329 4.470 0.000 0.000 0.228 482 S C 1.742 176.420 174.600 0.130 0.000 1.005 482 S CA 0.869 59.172 58.200 0.172 0.000 0.942 482 S CB -0.450 62.903 63.200 0.256 0.000 0.776 482 S HN 0.531 nan 8.310 nan 0.000 0.514 483 H N 1.352 120.449 119.070 0.044 0.000 2.561 483 H HA 0.204 4.760 4.556 0.000 0.000 0.278 483 H C 1.330 176.646 175.328 -0.020 0.000 1.014 483 H CA 0.609 56.668 56.048 0.018 0.000 1.211 483 H CB -0.455 29.316 29.762 0.015 0.000 1.365 483 H HN 0.446 nan 8.280 nan 0.000 0.594 484 L N 0.591 121.568 121.223 -0.409 0.000 2.640 484 L HA 0.391 4.731 4.340 0.000 0.000 0.230 484 L C 1.246 177.949 176.870 -0.278 0.000 1.123 484 L CA -0.108 54.520 54.840 -0.353 0.000 0.900 484 L CB 0.213 42.036 42.059 -0.393 0.000 1.146 484 L HN 0.166 nan 8.230 nan 0.000 0.484 485 A N 0.844 123.494 122.820 -0.284 0.000 2.425 485 A HA 0.382 4.702 4.320 0.000 0.000 0.242 485 A C -2.060 175.219 177.584 -0.508 0.000 1.077 485 A CA -0.874 50.876 52.037 -0.478 0.000 0.781 485 A CB -0.479 18.165 19.000 -0.593 0.000 1.020 485 A HN -0.032 nan 8.150 nan 0.000 0.494 486 P HA 0.025 nan 4.420 nan 0.000 0.267 486 P C 0.623 177.744 177.300 -0.298 0.000 1.201 486 P CA -0.165 62.640 63.100 -0.492 0.000 0.775 486 P CB 0.290 31.635 31.700 -0.591 0.000 0.854 487 I N 1.751 122.233 120.570 -0.146 0.000 2.546 487 I HA -0.160 4.010 4.170 0.000 0.000 0.255 487 I C 1.849 177.971 176.117 0.008 0.000 1.163 487 I CA 1.287 62.555 61.300 -0.054 0.000 1.457 487 I CB -0.989 36.991 38.000 -0.034 0.000 1.092 487 I HN 0.407 nan 8.210 nan 0.000 0.434 488 N N -0.912 117.801 118.700 0.021 0.000 2.192 488 N HA -0.217 4.523 4.740 0.000 0.000 0.188 488 N C -0.174 175.469 175.510 0.222 0.000 1.013 488 N CA 0.471 53.586 53.050 0.109 0.000 0.863 488 N CB -0.054 38.509 38.487 0.127 0.000 0.990 488 N HN 0.131 nan 8.380 nan 0.000 0.430 489 Y N 1.252 121.509 120.300 -0.070 0.000 2.496 489 Y HA 0.106 4.656 4.550 0.000 0.000 0.334 489 Y C 0.218 176.176 175.900 0.096 0.000 1.080 489 Y CA -0.119 57.937 58.100 -0.074 0.000 1.355 489 Y CB -0.012 38.174 38.460 -0.456 0.000 1.193 489 Y HN -0.030 nan 8.280 nan 0.000 0.523 490 M N 4.811 124.584 119.600 0.287 0.000 2.113 490 M HA 0.356 4.836 4.480 0.000 0.000 0.352 490 M C 0.291 176.780 176.300 0.315 0.000 1.170 490 M CA -0.455 54.992 55.300 0.246 0.000 1.053 490 M CB 1.166 33.853 32.600 0.144 0.000 1.601 490 M HN 0.482 nan 8.290 nan 0.000 0.459 491 R N 2.445 123.111 120.500 0.277 0.000 2.522 491 R HA 0.065 4.405 4.340 0.000 0.000 0.284 491 R C 0.709 176.998 176.300 -0.018 0.000 1.032 491 R CA 0.630 56.768 56.100 0.063 0.000 1.049 491 R CB 0.599 30.916 30.300 0.028 0.000 0.956 491 R HN 0.829 nan 8.270 nan 0.000 0.422 492 R N 2.205 122.633 120.500 -0.120 0.000 2.302 492 R HA 0.099 4.439 4.340 0.000 0.000 0.187 492 R C -0.288 175.894 176.300 -0.197 0.000 0.904 492 R CA 0.077 56.127 56.100 -0.083 0.000 1.105 492 R CB 0.630 30.922 30.300 -0.014 0.000 1.239 492 R HN 0.647 nan 8.270 nan 0.000 0.620 493 Q N 0.933 120.537 119.800 -0.326 0.000 2.268 493 Q HA 0.275 4.615 4.340 0.000 0.000 0.266 493 Q C -1.763 173.996 176.000 -0.402 0.000 1.006 493 Q CA -0.575 54.956 55.803 -0.453 0.000 0.824 493 Q CB 2.479 30.809 28.738 -0.678 0.000 1.306 493 Q HN 0.125 nan 8.270 nan 0.000 0.424 494 T N 4.072 118.437 114.554 -0.315 0.000 2.829 494 T HA 0.617 4.967 4.350 0.000 0.000 0.282 494 T C -0.517 174.059 174.700 -0.207 0.000 0.990 494 T CA -0.273 61.683 62.100 -0.240 0.000 1.028 494 T CB 0.667 69.435 68.868 -0.167 0.000 0.951 494 T HN 0.434 nan 8.240 nan 0.000 0.460 495 L N 1.696 122.816 121.223 -0.172 0.000 2.230 495 L HA 0.572 4.912 4.340 0.000 0.000 0.255 495 L C 1.648 178.467 176.870 -0.085 0.000 1.039 495 L CA -0.926 53.836 54.840 -0.130 0.000 0.846 495 L CB 0.946 42.920 42.059 -0.141 0.000 1.419 495 L HN 0.469 nan 8.230 nan 0.000 0.435 496 K N 0.193 120.556 120.400 -0.062 0.000 2.009 496 K HA -0.040 4.280 4.320 0.000 0.000 0.210 496 K C 0.522 177.103 176.600 -0.031 0.000 1.049 496 K CA 1.917 58.179 56.287 -0.041 0.000 0.929 496 K CB 0.060 32.541 32.500 -0.031 0.000 0.714 496 K HN 0.594 nan 8.250 nan 0.000 0.440 497 N N -0.393 118.291 118.700 -0.028 0.000 2.338 497 N HA 0.222 4.962 4.740 0.000 0.000 0.251 497 N C -1.178 174.327 175.510 -0.008 0.000 1.199 497 N CA 0.173 53.216 53.050 -0.011 0.000 0.879 497 N CB 1.749 40.234 38.487 -0.004 0.000 1.159 497 N HN 0.153 nan 8.380 nan 0.000 0.514 498 A N 0.446 123.248 122.820 -0.030 0.000 2.601 498 A HA 0.634 4.954 4.320 0.000 0.000 0.291 498 A C -1.668 175.867 177.584 -0.081 0.000 1.075 498 A CA -0.481 51.538 52.037 -0.031 0.000 0.671 498 A CB 2.100 21.075 19.000 -0.040 0.000 1.277 498 A HN 0.053 nan 8.150 nan 0.000 0.417 499 E N 0.066 120.219 120.200 -0.078 0.000 2.275 499 E HA 0.660 5.010 4.350 0.000 0.000 0.270 499 E C -0.989 175.406 176.600 -0.341 0.000 0.882 499 E CA -0.277 55.988 56.400 -0.225 0.000 0.758 499 E CB 1.502 31.134 29.700 -0.114 0.000 1.195 499 E HN 0.555 nan 8.360 nan 0.000 0.419 500 R N 2.774 122.940 120.500 -0.555 0.000 2.670 500 R HA 0.597 4.937 4.340 0.000 0.000 0.289 500 R C -1.009 174.988 176.300 -0.506 0.000 0.965 500 R CA -0.674 55.190 56.100 -0.394 0.000 0.899 500 R CB 1.374 31.384 30.300 -0.482 0.000 1.173 500 R HN 0.498 nan 8.270 nan 0.000 0.456 501 Y N 0.944 121.273 120.300 0.049 0.000 2.665 501 Y HA 0.623 5.173 4.550 0.000 0.000 0.336 501 Y C -0.614 175.270 175.900 -0.026 0.000 1.085 501 Y CA -1.184 56.917 58.100 0.001 0.000 1.096 501 Y CB 1.561 40.002 38.460 -0.032 0.000 1.301 501 Y HN 0.369 nan 8.280 nan 0.000 0.493 502 I N 2.140 122.790 120.570 0.133 0.000 2.769 502 I HA 0.635 4.805 4.170 0.000 0.000 0.298 502 I C -1.365 174.753 176.117 0.001 0.000 1.128 502 I CA -1.181 60.157 61.300 0.064 0.000 1.031 502 I CB 1.781 39.847 38.000 0.111 0.000 1.235 502 I HN 0.528 nan 8.210 nan 0.000 0.423 503 I N 3.666 124.225 120.570 -0.019 0.000 2.934 503 I HA 0.639 4.809 4.170 0.000 0.000 0.306 503 I C -2.307 173.838 176.117 0.047 0.000 1.110 503 I CA -2.156 59.147 61.300 0.004 0.000 1.019 503 I CB 1.710 39.687 38.000 -0.038 0.000 1.227 503 I HN 0.283 nan 8.210 nan 0.000 0.434 504 P HA -0.198 nan 4.420 nan 0.000 0.216 504 P C 1.271 178.612 177.300 0.068 0.000 1.150 504 P CA 1.428 64.564 63.100 0.061 0.000 0.843 504 P CB 0.173 31.906 31.700 0.055 0.000 0.787 505 E N -0.673 119.572 120.200 0.075 0.000 2.150 505 E HA -0.136 4.214 4.350 0.000 0.000 0.193 505 E C 1.872 178.552 176.600 0.134 0.000 0.985 505 E CA 0.620 57.081 56.400 0.101 0.000 0.814 505 E CB -0.392 29.373 29.700 0.108 0.000 0.752 505 E HN 0.178 nan 8.360 nan 0.000 0.466 506 L N 0.678 121.972 121.223 0.117 0.000 2.179 506 L HA -0.105 4.235 4.340 0.000 0.000 0.208 506 L C 2.580 179.539 176.870 0.148 0.000 1.096 506 L CA 1.089 56.014 54.840 0.142 0.000 0.779 506 L CB -0.174 41.950 42.059 0.108 0.000 0.922 506 L HN 0.071 nan 8.230 nan 0.000 0.443 507 K N 0.084 120.554 120.400 0.116 0.000 2.097 507 K HA -0.240 4.080 4.320 0.000 0.000 0.205 507 K C 1.995 178.637 176.600 0.069 0.000 1.050 507 K CA 1.431 57.782 56.287 0.106 0.000 0.938 507 K CB -0.039 32.514 32.500 0.088 0.000 0.718 507 K HN 0.265 nan 8.250 nan 0.000 0.442 508 E N -0.338 119.896 120.200 0.058 0.000 2.072 508 E HA -0.232 4.119 4.350 0.000 0.000 0.191 508 E C 1.856 178.443 176.600 -0.023 0.000 0.985 508 E CA 1.106 57.520 56.400 0.023 0.000 0.801 508 E CB -0.235 29.485 29.700 0.032 0.000 0.750 508 E HN 0.521 nan 8.360 nan 0.000 0.452 509 Y N 1.601 121.808 120.300 -0.155 0.000 2.352 509 Y HA -0.142 4.408 4.550 0.000 0.000 0.292 509 Y C 2.106 177.837 175.900 -0.281 0.000 1.136 509 Y CA 1.959 59.872 58.100 -0.312 0.000 1.227 509 Y CB -0.090 38.047 38.460 -0.538 0.000 0.991 509 Y HN 0.123 nan 8.280 nan 0.000 0.545 510 E N -0.110 119.962 120.200 -0.214 0.000 2.072 510 E HA -0.219 4.131 4.350 0.000 0.000 0.191 510 E C 1.573 178.106 176.600 -0.112 0.000 0.985 510 E CA 1.531 57.859 56.400 -0.120 0.000 0.801 510 E CB -0.216 29.620 29.700 0.226 0.000 0.750 510 E HN 0.508 nan 8.360 nan 0.000 0.452 511 D N 0.511 120.865 120.400 -0.076 0.000 2.178 511 D HA -0.157 4.483 4.640 0.000 0.000 0.202 511 D C 1.963 178.202 176.300 -0.101 0.000 0.974 511 D CA 1.349 55.316 54.000 -0.054 0.000 0.841 511 D CB -0.003 40.786 40.800 -0.019 0.000 0.953 511 D HN 0.377 nan 8.370 nan 0.000 0.478 512 K N 0.629 120.926 120.400 -0.172 0.000 2.137 512 K HA -0.012 4.309 4.320 0.000 0.000 0.202 512 K C 2.046 178.523 176.600 -0.205 0.000 1.052 512 K CA 0.505 56.700 56.287 -0.152 0.000 0.961 512 K CB -0.281 32.134 32.500 -0.141 0.000 0.741 512 K HN -0.092 nan 8.250 nan 0.000 0.452 513 V N 1.571 121.247 119.914 -0.396 0.000 2.453 513 V HA -0.105 4.015 4.120 0.000 0.000 0.247 513 V C 1.985 177.960 176.094 -0.198 0.000 1.048 513 V CA 1.239 63.320 62.300 -0.365 0.000 1.049 513 V CB -0.199 31.241 31.823 -0.637 0.000 0.672 513 V HN 0.386 nan 8.190 nan 0.000 0.457 514 L N 0.253 121.383 121.223 -0.154 0.000 2.095 514 L HA -0.082 4.258 4.340 0.000 0.000 0.204 514 L C 2.727 179.532 176.870 -0.110 0.000 1.080 514 L CA 1.938 56.721 54.840 -0.095 0.000 0.759 514 L CB -1.170 40.873 42.059 -0.026 0.000 0.914 514 L HN 0.505 nan 8.230 nan 0.000 0.439 515 T N -2.885 111.605 114.554 -0.106 0.000 2.867 515 T HA -0.153 4.197 4.350 0.000 0.000 0.268 515 T C 1.960 176.527 174.700 -0.222 0.000 1.057 515 T CA 1.290 63.312 62.100 -0.130 0.000 1.136 515 T CB -0.384 68.436 68.868 -0.081 0.000 0.874 515 T HN 0.409 nan 8.240 nan 0.000 0.466 516 S N 0.766 116.367 115.700 -0.166 0.000 2.470 516 S HA 0.150 4.620 4.470 0.000 0.000 0.225 516 S C 2.000 176.472 174.600 -0.213 0.000 1.006 516 S CA -0.005 58.079 58.200 -0.193 0.000 0.934 516 S CB -0.244 63.052 63.200 0.161 0.000 0.778 516 S HN 0.383 nan 8.310 nan 0.000 0.517 517 K N 0.664 120.966 120.400 -0.164 0.000 2.116 517 K HA 0.079 4.399 4.320 0.000 0.000 0.203 517 K C 2.210 178.706 176.600 -0.173 0.000 1.052 517 K CA 0.975 57.179 56.287 -0.138 0.000 0.952 517 K CB -0.575 31.855 32.500 -0.117 0.000 0.729 517 K HN 0.530 nan 8.250 nan 0.000 0.446 518 G N 1.426 110.106 108.800 -0.200 0.000 2.403 518 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 518 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 518 G C 1.479 176.213 174.900 -0.278 0.000 1.154 518 G CA 0.284 45.266 45.100 -0.197 0.000 0.784 518 G HN 0.092 nan 8.290 nan 0.000 0.538 519 K N 0.945 121.072 120.400 -0.455 0.000 2.057 519 K HA 0.010 4.330 4.320 0.000 0.000 0.207 519 K C 2.835 179.063 176.600 -0.620 0.000 1.049 519 K CA 1.197 57.059 56.287 -0.707 0.000 0.931 519 K CB -0.515 31.101 32.500 -1.474 0.000 0.714 519 K HN 0.265 nan 8.250 nan 0.000 0.440 520 A N 0.645 123.176 122.820 -0.481 0.000 2.015 520 A HA -0.088 4.232 4.320 0.000 0.000 0.219 520 A C 2.191 179.703 177.584 -0.119 0.000 1.163 520 A CA 0.994 52.910 52.037 -0.203 0.000 0.646 520 A CB -0.290 18.676 19.000 -0.057 0.000 0.806 520 A HN 0.137 nan 8.150 nan 0.000 0.448 521 L N -0.904 120.235 121.223 -0.140 0.000 2.095 521 L HA 0.041 4.381 4.340 0.000 0.000 0.204 521 L C 2.920 179.738 176.870 -0.087 0.000 1.080 521 L CA 1.377 56.160 54.840 -0.096 0.000 0.759 521 L CB -0.458 41.544 42.059 -0.095 0.000 0.914 521 L HN 0.347 nan 8.230 nan 0.000 0.439 522 A N -0.704 122.047 122.820 -0.115 0.000 1.908 522 A HA -0.231 4.089 4.320 0.000 0.000 0.218 522 A C 2.192 179.743 177.584 -0.054 0.000 1.181 522 A CA 1.971 53.954 52.037 -0.089 0.000 0.627 522 A CB -0.838 18.091 19.000 -0.118 0.000 0.818 522 A HN 0.328 nan 8.150 nan 0.000 0.445 523 L N -0.091 121.096 121.223 -0.061 0.000 2.072 523 L HA -0.071 4.269 4.340 0.000 0.000 0.205 523 L C 2.175 179.069 176.870 0.039 0.000 1.079 523 L CA 2.097 56.940 54.840 0.005 0.000 0.752 523 L CB -0.775 41.309 42.059 0.041 0.000 0.906 523 L HN 0.510 nan 8.230 nan 0.000 0.436 524 E N -0.485 119.730 120.200 0.025 0.000 2.058 524 E HA -0.279 4.071 4.350 0.000 0.000 0.194 524 E C 2.122 178.749 176.600 0.045 0.000 0.997 524 E CA 1.542 57.966 56.400 0.041 0.000 0.801 524 E CB -0.015 29.687 29.700 0.003 0.000 0.746 524 E HN 0.485 nan 8.360 nan 0.000 0.450 525 K N 0.337 120.742 120.400 0.009 0.000 2.148 525 K HA -0.174 4.146 4.320 0.000 0.000 0.204 525 K C 2.248 178.882 176.600 0.058 0.000 1.050 525 K CA 0.979 57.276 56.287 0.017 0.000 0.942 525 K CB -0.047 32.447 32.500 -0.011 0.000 0.724 525 K HN 0.108 nan 8.250 nan 0.000 0.446 526 Q N 0.807 120.633 119.800 0.044 0.000 2.123 526 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 526 Q C 1.915 177.949 176.000 0.057 0.000 0.966 526 Q CA 0.878 56.709 55.803 0.046 0.000 0.845 526 Q CB 0.156 28.916 28.738 0.035 0.000 0.907 526 Q HN 0.275 nan 8.270 nan 0.000 0.439 527 L N -0.468 120.805 121.223 0.084 0.000 2.156 527 L HA -0.118 4.222 4.340 0.000 0.000 0.208 527 L C 2.162 179.071 176.870 0.065 0.000 1.095 527 L CA 0.852 55.763 54.840 0.120 0.000 0.770 527 L CB -0.317 41.864 42.059 0.202 0.000 0.914 527 L HN 0.299 nan 8.230 nan 0.000 0.439 528 Y N 0.617 120.853 120.300 -0.106 0.000 2.286 528 Y HA -0.132 4.418 4.550 0.000 0.000 0.293 528 Y C 2.542 178.158 175.900 -0.473 0.000 1.124 528 Y CA 1.214 59.158 58.100 -0.260 0.000 1.178 528 Y CB 0.198 38.523 38.460 -0.226 0.000 1.010 528 Y HN 0.103 nan 8.280 nan 0.000 0.536 529 E N 0.353 120.457 120.200 -0.160 0.000 2.150 529 E HA -0.261 4.089 4.350 0.000 0.000 0.193 529 E C 1.932 178.445 176.600 -0.145 0.000 0.985 529 E CA 1.372 57.668 56.400 -0.174 0.000 0.814 529 E CB -0.198 29.540 29.700 0.063 0.000 0.752 529 E HN 0.687 nan 8.360 nan 0.000 0.466 530 E N 0.639 120.787 120.200 -0.087 0.000 2.204 530 E HA -0.172 4.178 4.350 0.000 0.000 0.194 530 E C 1.979 178.543 176.600 -0.059 0.000 0.989 530 E CA 0.291 56.677 56.400 -0.023 0.000 0.824 530 E CB 0.112 29.830 29.700 0.030 0.000 0.756 530 E HN 0.030 nan 8.360 nan 0.000 0.477 531 L N 0.437 121.531 121.223 -0.215 0.000 2.042 531 L HA -0.164 4.176 4.340 0.000 0.000 0.210 531 L C 1.976 178.773 176.870 -0.122 0.000 1.076 531 L CA 1.538 56.231 54.840 -0.244 0.000 0.749 531 L CB -0.949 40.803 42.059 -0.511 0.000 0.893 531 L HN 0.235 nan 8.230 nan 0.000 0.432 532 F N 0.089 119.955 119.950 -0.141 0.000 2.102 532 F HA -0.195 4.332 4.527 0.000 0.000 0.298 532 F C 2.463 178.244 175.800 -0.031 0.000 1.105 532 F CA 0.970 58.916 58.000 -0.091 0.000 1.239 532 F CB -1.272 37.678 39.000 -0.082 0.000 0.991 532 F HN 0.217 nan 8.300 nan 0.000 0.474 533 D N 0.187 120.685 120.400 0.163 0.000 2.221 533 D HA -0.139 4.501 4.640 0.000 0.000 0.204 533 D C 2.358 178.708 176.300 0.084 0.000 0.982 533 D CA 1.070 55.131 54.000 0.103 0.000 0.857 533 D CB -0.253 40.592 40.800 0.074 0.000 0.934 533 D HN 0.302 nan 8.370 nan 0.000 0.475 534 L N -0.117 121.162 121.223 0.094 0.000 2.249 534 L HA 0.037 4.377 4.340 0.000 0.000 0.207 534 L C 2.419 179.394 176.870 0.175 0.000 1.090 534 L CA 0.224 55.133 54.840 0.115 0.000 0.802 534 L CB -0.029 42.095 42.059 0.108 0.000 0.947 534 L HN -0.049 nan 8.230 nan 0.000 0.453 535 L N -1.124 120.196 121.223 0.162 0.000 2.162 535 L HA -0.119 4.221 4.340 0.000 0.000 0.205 535 L C 2.367 179.343 176.870 0.177 0.000 1.086 535 L CA 0.209 55.167 54.840 0.197 0.000 0.778 535 L CB -0.286 41.861 42.059 0.148 0.000 0.928 535 L HN 0.188 nan 8.230 nan 0.000 0.446 536 L N 0.655 121.941 121.223 0.105 0.000 2.083 536 L HA -0.106 4.234 4.340 0.000 0.000 0.209 536 L C -0.172 176.701 176.870 0.005 0.000 1.083 536 L CA 2.048 56.917 54.840 0.048 0.000 0.752 536 L CB -1.963 40.117 42.059 0.035 0.000 0.899 536 L HN 0.128 nan 8.230 nan 0.000 0.433 537 P HA -0.137 nan 4.420 nan 0.000 0.223 537 P C 0.480 177.616 177.300 -0.274 0.000 1.144 537 P CA 1.420 64.403 63.100 -0.196 0.000 0.783 537 P CB -0.097 31.416 31.700 -0.312 0.000 0.771 538 H N -2.356 116.742 119.070 0.045 0.000 2.505 538 H HA 0.162 4.718 4.556 0.000 0.000 0.289 538 H C 1.494 176.843 175.328 0.036 0.000 1.052 538 H CA -0.398 55.685 56.048 0.059 0.000 1.156 538 H CB -0.271 29.525 29.762 0.056 0.000 1.507 538 H HN -0.026 nan 8.280 nan 0.000 0.548 539 L N 0.956 122.236 121.223 0.095 0.000 2.083 539 L HA -0.124 4.216 4.340 0.000 0.000 0.209 539 L C 2.157 179.078 176.870 0.085 0.000 1.083 539 L CA 1.753 56.633 54.840 0.067 0.000 0.752 539 L CB -0.266 41.822 42.059 0.048 0.000 0.899 539 L HN 0.323 nan 8.230 nan 0.000 0.433 540 E N -0.686 119.574 120.200 0.100 0.000 2.038 540 E HA -0.254 4.096 4.350 0.000 0.000 0.195 540 E C 2.142 178.825 176.600 0.138 0.000 1.000 540 E CA 1.323 57.788 56.400 0.108 0.000 0.803 540 E CB -0.230 29.529 29.700 0.098 0.000 0.750 540 E HN 0.603 nan 8.360 nan 0.000 0.448 541 A N 0.725 123.660 122.820 0.191 0.000 1.933 541 A HA -0.171 4.149 4.320 0.000 0.000 0.218 541 A C 2.182 179.956 177.584 0.317 0.000 1.175 541 A CA 1.166 53.378 52.037 0.292 0.000 0.628 541 A CB -0.653 18.601 19.000 0.424 0.000 0.814 541 A HN 0.278 nan 8.150 nan 0.000 0.444 542 L N -0.983 120.311 121.223 0.117 0.000 2.046 542 L HA -0.259 4.081 4.340 0.000 0.000 0.208 542 L C 2.914 179.817 176.870 0.056 0.000 1.077 542 L CA 1.652 56.453 54.840 -0.064 0.000 0.747 542 L CB -0.575 41.387 42.059 -0.161 0.000 0.896 542 L HN 0.473 nan 8.230 nan 0.000 0.432 543 Q N -0.551 119.294 119.800 0.075 0.000 2.084 543 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 543 Q C 2.295 178.356 176.000 0.101 0.000 0.978 543 Q CA 1.483 57.334 55.803 0.081 0.000 0.844 543 Q CB -0.105 28.684 28.738 0.085 0.000 0.898 543 Q HN 0.562 nan 8.270 nan 0.000 0.426 544 Q N -0.345 119.531 119.800 0.126 0.000 2.124 544 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 544 Q C 2.248 178.335 176.000 0.146 0.000 0.977 544 Q CA 1.314 57.194 55.803 0.128 0.000 0.850 544 Q CB -0.100 28.715 28.738 0.129 0.000 0.901 544 Q HN 0.216 nan 8.270 nan 0.000 0.429 545 S N 0.253 116.077 115.700 0.207 0.000 2.356 545 S HA -0.166 4.304 4.470 0.000 0.000 0.223 545 S C 1.998 176.688 174.600 0.151 0.000 1.032 545 S CA 1.184 59.525 58.200 0.234 0.000 1.005 545 S CB -0.150 63.318 63.200 0.446 0.000 0.867 545 S HN 0.446 nan 8.310 nan 0.000 0.449 546 A N 0.483 123.371 122.820 0.114 0.000 1.930 546 A HA -0.016 4.304 4.320 0.000 0.000 0.217 546 A C 2.424 180.045 177.584 0.061 0.000 1.175 546 A CA 2.047 54.125 52.037 0.069 0.000 0.627 546 A CB -1.288 17.736 19.000 0.041 0.000 0.815 546 A HN 0.638 nan 8.150 nan 0.000 0.443 547 S N -0.139 115.606 115.700 0.075 0.000 2.355 547 S HA -0.032 4.438 4.470 0.000 0.000 0.222 547 S C 2.220 176.866 174.600 0.076 0.000 1.031 547 S CA 1.594 59.839 58.200 0.075 0.000 0.993 547 S CB -0.550 62.703 63.200 0.089 0.000 0.859 547 S HN 0.863 nan 8.310 nan 0.000 0.453 548 A N 1.441 124.311 122.820 0.083 0.000 1.917 548 A HA -0.018 4.302 4.320 0.000 0.000 0.219 548 A C 2.275 179.892 177.584 0.055 0.000 1.182 548 A CA 1.722 53.803 52.037 0.075 0.000 0.633 548 A CB -0.901 18.144 19.000 0.076 0.000 0.819 548 A HN 0.598 nan 8.150 nan 0.000 0.448 549 L N -1.113 120.142 121.223 0.053 0.000 2.109 549 L HA -0.125 4.215 4.340 0.000 0.000 0.207 549 L C 3.075 179.949 176.870 0.006 0.000 1.086 549 L CA 0.876 55.736 54.840 0.033 0.000 0.760 549 L CB -0.459 41.625 42.059 0.042 0.000 0.910 549 L HN 0.435 nan 8.230 nan 0.000 0.437 550 A N -0.220 122.601 122.820 0.002 0.000 1.902 550 A HA -0.258 4.062 4.320 0.000 0.000 0.217 550 A C 2.256 179.795 177.584 -0.076 0.000 1.181 550 A CA 1.845 53.860 52.037 -0.038 0.000 0.623 550 A CB -0.481 18.501 19.000 -0.030 0.000 0.818 550 A HN 0.444 nan 8.150 nan 0.000 0.443 551 E N -0.875 119.311 120.200 -0.023 0.000 2.106 551 E HA -0.160 4.190 4.350 0.000 0.000 0.192 551 E C 1.848 178.441 176.600 -0.011 0.000 0.984 551 E CA 0.813 57.208 56.400 -0.007 0.000 0.806 551 E CB -0.089 29.695 29.700 0.140 0.000 0.750 551 E HN 0.364 nan 8.360 nan 0.000 0.458 552 L N 1.636 122.861 121.223 0.004 0.000 2.005 552 L HA -0.170 4.171 4.340 0.000 0.000 0.207 552 L C 2.116 178.973 176.870 -0.022 0.000 1.072 552 L CA 2.012 56.854 54.840 0.003 0.000 0.744 552 L CB -1.149 40.914 42.059 0.006 0.000 0.895 552 L HN 0.223 nan 8.230 nan 0.000 0.433 553 D N -0.898 119.479 120.400 -0.039 0.000 2.116 553 D HA -0.183 4.457 4.640 0.000 0.000 0.193 553 D C 2.206 178.456 176.300 -0.083 0.000 0.998 553 D CA 1.555 55.523 54.000 -0.053 0.000 0.836 553 D CB 0.031 40.797 40.800 -0.057 0.000 0.951 553 D HN 0.123 nan 8.370 nan 0.000 0.449 554 V N 0.308 120.133 119.914 -0.149 0.000 2.295 554 V HA -0.220 3.900 4.120 0.000 0.000 0.246 554 V C 2.734 178.759 176.094 -0.115 0.000 1.049 554 V CA 1.454 63.616 62.300 -0.230 0.000 1.024 554 V CB -0.451 31.038 31.823 -0.557 0.000 0.648 554 V HN 0.298 nan 8.190 nan 0.000 0.447 555 L N -0.832 120.363 121.223 -0.047 0.000 2.044 555 L HA -0.106 4.234 4.340 0.000 0.000 0.205 555 L C 2.487 179.365 176.870 0.013 0.000 1.075 555 L CA 0.925 55.789 54.840 0.041 0.000 0.747 555 L CB -0.606 41.507 42.059 0.090 0.000 0.903 555 L HN 0.165 nan 8.230 nan 0.000 0.435 556 V N 0.772 120.685 119.914 -0.003 0.000 2.380 556 V HA -0.348 3.772 4.120 0.000 0.000 0.251 556 V C 2.286 178.374 176.094 -0.011 0.000 1.063 556 V CA 2.362 64.660 62.300 -0.004 0.000 1.055 556 V CB -0.790 31.032 31.823 -0.002 0.000 0.657 556 V HN 0.589 nan 8.190 nan 0.000 0.455 557 N N 0.120 118.809 118.700 -0.019 0.000 2.106 557 N HA -0.131 4.609 4.740 0.000 0.000 0.188 557 N C 1.692 177.199 175.510 -0.006 0.000 1.029 557 N CA 1.551 54.590 53.050 -0.018 0.000 0.848 557 N CB -0.290 38.179 38.487 -0.031 0.000 1.007 557 N HN 0.449 nan 8.380 nan 0.000 0.423 558 L N -0.235 120.992 121.223 0.007 0.000 2.131 558 L HA -0.060 4.280 4.340 0.000 0.000 0.210 558 L C 2.462 179.316 176.870 -0.027 0.000 1.092 558 L CA 1.019 55.879 54.840 0.033 0.000 0.759 558 L CB -0.668 41.443 42.059 0.086 0.000 0.903 558 L HN 0.306 nan 8.230 nan 0.000 0.435 559 A N -0.198 122.589 122.820 -0.055 0.000 1.877 559 A HA -0.230 4.090 4.320 0.000 0.000 0.216 559 A C 2.348 179.898 177.584 -0.057 0.000 1.186 559 A CA 1.704 53.679 52.037 -0.104 0.000 0.620 559 A CB -0.455 18.505 19.000 -0.066 0.000 0.822 559 A HN 0.375 nan 8.150 nan 0.000 0.443 560 E N 0.102 120.288 120.200 -0.023 0.000 2.072 560 E HA -0.194 4.156 4.350 0.000 0.000 0.191 560 E C 2.148 178.750 176.600 0.003 0.000 0.985 560 E CA 0.900 57.306 56.400 0.010 0.000 0.801 560 E CB -0.289 29.412 29.700 0.003 0.000 0.750 560 E HN 0.401 nan 8.360 nan 0.000 0.452 561 R N 0.263 120.739 120.500 -0.039 0.000 2.081 561 R HA -0.056 4.284 4.340 0.000 0.000 0.235 561 R C 2.300 178.436 176.300 -0.274 0.000 1.131 561 R CA 1.174 57.206 56.100 -0.114 0.000 0.960 561 R CB -0.919 29.364 30.300 -0.027 0.000 0.856 561 R HN 0.235 nan 8.270 nan 0.000 0.436 562 A N 0.097 122.833 122.820 -0.141 0.000 1.930 562 A HA -0.199 4.121 4.320 0.000 0.000 0.217 562 A C 2.060 179.589 177.584 -0.092 0.000 1.175 562 A CA 1.144 53.116 52.037 -0.108 0.000 0.627 562 A CB -0.640 18.286 19.000 -0.124 0.000 0.815 562 A HN 0.384 nan 8.150 nan 0.000 0.443 563 Y N 1.125 121.330 120.300 -0.158 0.000 2.133 563 Y HA -0.144 4.406 4.550 0.000 0.000 0.287 563 Y C 2.668 178.490 175.900 -0.129 0.000 1.134 563 Y CA 2.319 60.355 58.100 -0.108 0.000 1.133 563 Y CB -0.695 37.715 38.460 -0.085 0.000 0.987 563 Y HN 0.295 nan 8.280 nan 0.000 0.502 564 T N 0.929 115.377 114.554 -0.176 0.000 2.812 564 T HA -0.081 4.269 4.350 0.000 0.000 0.264 564 T C 1.711 176.228 174.700 -0.304 0.000 1.042 564 T CA 1.669 63.618 62.100 -0.250 0.000 1.140 564 T CB -0.367 68.442 68.868 -0.098 0.000 0.870 564 T HN 0.274 nan 8.240 nan 0.000 0.445 565 L N 0.900 121.881 121.223 -0.403 0.000 2.592 565 L HA 0.302 4.642 4.340 0.000 0.000 0.227 565 L C 0.651 177.292 176.870 -0.382 0.000 1.127 565 L CA -0.102 54.466 54.840 -0.453 0.000 0.884 565 L CB -0.642 40.968 42.059 -0.749 0.000 1.065 565 L HN 0.406 nan 8.230 nan 0.000 0.457 566 N N 0.428 118.943 118.700 -0.309 0.000 2.699 566 N HA -0.206 4.534 4.740 0.000 0.000 0.257 566 N C -1.046 174.540 175.510 0.127 0.000 1.077 566 N CA -0.106 52.884 53.050 -0.100 0.000 0.702 566 N CB -0.385 38.066 38.487 -0.060 0.000 0.886 566 N HN 0.135 nan 8.380 nan 0.000 0.549 567 Y N 0.136 120.473 120.300 0.062 0.000 2.453 567 Y HA 0.527 5.077 4.550 0.000 0.000 0.326 567 Y C 1.210 177.222 175.900 0.187 0.000 1.186 567 Y CA -0.694 57.470 58.100 0.108 0.000 1.200 567 Y CB 1.421 39.970 38.460 0.148 0.000 1.247 567 Y HN 0.224 nan 8.280 nan 0.000 0.482 568 T N -2.411 112.281 114.554 0.230 0.000 2.930 568 T HA 0.393 4.743 4.350 0.000 0.000 0.290 568 T C -0.599 173.867 174.700 -0.391 0.000 1.052 568 T CA -0.842 61.260 62.100 0.003 0.000 1.017 568 T CB 1.359 70.199 68.868 -0.046 0.000 1.137 568 T HN 0.727 nan 8.240 nan 0.000 0.511 569 C N 4.139 122.945 119.300 -0.822 0.000 2.629 569 C HA 0.518 4.978 4.460 0.000 0.000 0.410 569 C C -1.849 172.847 174.990 -0.489 0.000 1.339 569 C CA -1.180 57.277 59.018 -0.936 0.000 1.810 569 C CB -0.515 26.699 27.740 -0.875 0.000 2.549 569 C HN 0.734 nan 8.230 nan 0.000 0.589 570 P HA 0.328 nan 4.420 nan 0.000 0.276 570 P C -0.646 176.294 177.300 -0.599 0.000 1.244 570 P CA 0.100 62.925 63.100 -0.459 0.000 0.801 570 P CB 0.911 32.325 31.700 -0.478 0.000 1.006 571 T N -1.352 112.886 114.554 -0.527 0.000 2.918 571 T HA 0.672 5.022 4.350 0.000 0.000 0.286 571 T C -0.312 174.029 174.700 -0.599 0.000 1.026 571 T CA -0.536 61.245 62.100 -0.530 0.000 1.031 571 T CB 0.539 69.261 68.868 -0.242 0.000 1.046 571 T HN 0.103 nan 8.240 nan 0.000 0.479 572 F N 1.313 121.214 119.950 -0.081 0.000 2.425 572 F HA 0.688 5.215 4.527 0.000 0.000 0.331 572 F C 0.529 176.323 175.800 -0.009 0.000 1.085 572 F CA -1.508 56.462 58.000 -0.051 0.000 1.028 572 F CB 1.117 40.083 39.000 -0.057 0.000 1.177 572 F HN 0.668 nan 8.300 nan 0.000 0.487 573 I N -1.914 118.777 120.570 0.202 0.000 3.170 573 I HA 0.564 4.734 4.170 0.000 0.000 0.312 573 I C -0.090 176.110 176.117 0.138 0.000 1.085 573 I CA -0.872 60.505 61.300 0.127 0.000 0.999 573 I CB 1.800 39.848 38.000 0.079 0.000 1.233 573 I HN 0.331 nan 8.210 nan 0.000 0.467 574 D N 1.162 121.623 120.400 0.102 0.000 2.149 574 D HA 0.029 4.669 4.640 0.000 0.000 0.201 574 D C 0.129 176.503 176.300 0.124 0.000 0.972 574 D CA 1.597 55.658 54.000 0.101 0.000 0.835 574 D CB 0.116 40.960 40.800 0.072 0.000 0.966 574 D HN 0.452 nan 8.370 nan 0.000 0.476 575 K N 0.113 120.569 120.400 0.094 0.000 2.221 575 K HA 0.422 4.742 4.320 0.000 0.000 0.243 575 K C -2.640 173.985 176.600 0.042 0.000 0.968 575 K CA -2.011 54.310 56.287 0.056 0.000 0.846 575 K CB 1.799 34.306 32.500 0.012 0.000 1.141 575 K HN -0.221 nan 8.250 nan 0.000 0.434 576 P HA 0.167 nan 4.420 nan 0.000 0.267 576 P C -0.685 176.610 177.300 -0.008 0.000 1.205 576 P CA -0.129 62.946 63.100 -0.042 0.000 0.765 576 P CB 0.801 32.379 31.700 -0.203 0.000 0.828 577 G N 1.822 110.641 108.800 0.033 0.000 2.377 577 G HA2 0.496 4.457 3.960 0.000 0.000 0.297 577 G HA3 0.496 4.457 3.960 0.000 0.000 0.297 577 G C -2.018 172.908 174.900 0.043 0.000 1.547 577 G CA -0.615 44.501 45.100 0.027 0.000 0.833 577 G HN 0.385 nan 8.290 nan 0.000 0.583 578 I N 0.466 121.052 120.570 0.027 0.000 2.512 578 I HA 0.501 4.671 4.170 0.000 0.000 0.287 578 I C -0.336 175.785 176.117 0.006 0.000 1.069 578 I CA -0.759 60.552 61.300 0.019 0.000 1.056 578 I CB 2.532 40.539 38.000 0.012 0.000 1.229 578 I HN 0.294 nan 8.210 nan 0.000 0.429 579 R N 6.651 127.149 120.500 -0.004 0.000 2.371 579 R HA 0.644 4.984 4.340 0.000 0.000 0.312 579 R C -1.089 175.202 176.300 -0.015 0.000 0.980 579 R CA -0.545 55.553 56.100 -0.004 0.000 0.867 579 R CB 1.898 32.195 30.300 -0.005 0.000 1.163 579 R HN 0.543 nan 8.270 nan 0.000 0.492 580 I N 1.972 122.541 120.570 -0.001 0.000 2.377 580 I HA 0.304 4.474 4.170 0.000 0.000 0.293 580 I C -0.003 176.127 176.117 0.021 0.000 0.987 580 I CA -0.541 60.758 61.300 -0.002 0.000 1.185 580 I CB 2.255 40.255 38.000 0.000 0.000 1.341 580 I HN 0.373 nan 8.210 nan 0.000 0.455 581 T N 4.956 119.516 114.554 0.010 0.000 2.770 581 T HA 0.221 4.571 4.350 0.000 0.000 0.283 581 T C -0.215 174.504 174.700 0.033 0.000 0.988 581 T CA -0.410 61.704 62.100 0.023 0.000 0.957 581 T CB 0.867 69.740 68.868 0.010 0.000 0.930 581 T HN 0.545 nan 8.240 nan 0.000 0.443 582 E N 0.913 121.147 120.200 0.057 0.000 2.230 582 E HA -0.133 4.217 4.350 0.000 0.000 0.206 582 E C 0.438 177.084 176.600 0.077 0.000 1.309 582 E CA 0.670 57.114 56.400 0.074 0.000 0.697 582 E CB -1.342 28.393 29.700 0.060 0.000 1.146 582 E HN 0.912 nan 8.360 nan 0.000 0.363 583 G N 0.459 109.313 108.800 0.090 0.000 2.425 583 G HA2 0.612 4.572 3.960 0.000 0.000 0.302 583 G HA3 0.612 4.572 3.960 0.000 0.000 0.302 583 G C -0.002 174.961 174.900 0.106 0.000 1.159 583 G CA -0.623 44.512 45.100 0.059 0.000 0.865 583 G HN 0.067 nan 8.290 nan 0.000 0.515 584 R N -0.547 119.943 120.500 -0.017 0.000 2.795 584 R HA 0.314 4.654 4.340 0.000 0.000 0.275 584 R C -0.736 175.378 176.300 -0.310 0.000 0.981 584 R CA -0.984 54.990 56.100 -0.211 0.000 0.917 584 R CB 1.602 31.713 30.300 -0.314 0.000 1.202 584 R HN 0.613 nan 8.270 nan 0.000 0.469 585 H N 4.545 123.222 119.070 -0.655 0.000 2.878 585 H HA 0.114 4.670 4.556 0.000 0.000 0.290 585 H C -1.632 173.474 175.328 -0.370 0.000 1.065 585 H CA -2.082 53.753 56.048 -0.356 0.000 1.477 585 H CB 1.264 30.929 29.762 -0.161 0.000 1.484 585 H HN 0.355 nan 8.280 nan 0.000 0.504 586 P HA -0.154 nan 4.420 nan 0.000 0.219 586 P C 1.296 178.649 177.300 0.088 0.000 1.146 586 P CA 0.679 63.757 63.100 -0.036 0.000 0.808 586 P CB 0.727 32.368 31.700 -0.098 0.000 0.779 587 V N -0.486 119.580 119.914 0.253 0.000 2.581 587 V HA -0.076 4.044 4.120 0.000 0.000 0.240 587 V C 2.742 178.867 176.094 0.050 0.000 1.054 587 V CA 0.916 63.313 62.300 0.162 0.000 1.076 587 V CB -0.856 31.084 31.823 0.195 0.000 0.748 587 V HN -0.127 nan 8.190 nan 0.000 0.474 588 V N 1.703 121.580 119.914 -0.061 0.000 2.469 588 V HA -0.277 3.843 4.120 0.000 0.000 0.251 588 V C 2.534 178.646 176.094 0.030 0.000 1.064 588 V CA 2.346 64.575 62.300 -0.118 0.000 1.066 588 V CB -0.816 30.878 31.823 -0.215 0.000 0.667 588 V HN 0.872 nan 8.190 nan 0.000 0.461 589 E N -0.419 119.738 120.200 -0.072 0.000 2.338 589 E HA -0.223 4.127 4.350 0.000 0.000 0.197 589 E C 1.854 178.475 176.600 0.034 0.000 1.007 589 E CA 0.912 57.300 56.400 -0.019 0.000 0.849 589 E CB -0.117 29.425 29.700 -0.263 0.000 0.774 589 E HN 0.542 nan 8.360 nan 0.000 0.506 590 Q N 0.463 120.275 119.800 0.020 0.000 2.391 590 Q HA 0.037 4.377 4.340 0.000 0.000 0.211 590 Q C 2.281 178.295 176.000 0.023 0.000 0.908 590 Q CA 1.028 56.844 55.803 0.022 0.000 0.920 590 Q CB 1.013 29.764 28.738 0.021 0.000 1.056 590 Q HN 0.392 nan 8.270 nan 0.000 0.523 591 V N -1.228 118.699 119.914 0.023 0.000 2.949 591 V HA 0.114 4.234 4.120 0.000 0.000 0.245 591 V C 0.775 176.882 176.094 0.022 0.000 1.086 591 V CA 0.054 62.364 62.300 0.016 0.000 1.097 591 V CB -0.020 31.805 31.823 0.003 0.000 0.762 591 V HN 0.084 nan 8.190 nan 0.000 0.470 592 L N 2.830 124.076 121.223 0.039 0.000 2.513 592 L HA 0.226 4.566 4.340 0.000 0.000 0.272 592 L C 0.645 177.539 176.870 0.041 0.000 1.187 592 L CA 0.700 55.566 54.840 0.043 0.000 0.895 592 L CB -0.326 41.780 42.059 0.080 0.000 1.147 592 L HN 0.389 nan 8.230 nan 0.000 0.483 593 N N 5.953 124.670 118.700 0.028 0.000 3.083 593 N HA 0.200 4.940 4.740 0.000 0.000 0.260 593 N C -1.064 174.464 175.510 0.030 0.000 1.163 593 N CA -0.011 53.056 53.050 0.027 0.000 1.060 593 N CB 0.208 38.707 38.487 0.019 0.000 1.345 593 N HN 0.702 nan 8.380 nan 0.000 0.515 594 E N -0.320 119.904 120.200 0.039 0.000 2.605 594 E HA 0.068 4.418 4.350 0.000 0.000 0.289 594 E C -3.224 173.410 176.600 0.056 0.000 1.196 594 E CA -1.180 55.245 56.400 0.040 0.000 0.941 594 E CB -0.294 29.428 29.700 0.036 0.000 1.124 594 E HN -0.002 nan 8.360 nan 0.000 0.442 595 P HA 0.147 nan 4.420 nan 0.000 0.272 595 P C -0.967 176.394 177.300 0.101 0.000 1.223 595 P CA -0.180 62.972 63.100 0.086 0.000 0.784 595 P CB 0.335 32.074 31.700 0.065 0.000 0.923 596 F N 2.388 122.351 119.950 0.021 0.000 2.404 596 F HA 0.256 4.783 4.527 0.000 0.000 0.345 596 F C 0.368 176.190 175.800 0.037 0.000 1.110 596 F CA -0.877 57.134 58.000 0.018 0.000 1.130 596 F CB 0.530 39.545 39.000 0.025 0.000 1.129 596 F HN 0.079 nan 8.300 nan 0.000 0.500 597 I N 6.429 126.788 120.570 -0.353 0.000 2.347 597 I HA 0.208 4.378 4.170 0.000 0.000 0.294 597 I C 0.656 176.837 176.117 0.107 0.000 1.090 597 I CA -0.455 60.787 61.300 -0.096 0.000 1.314 597 I CB -0.464 37.462 38.000 -0.124 0.000 1.423 597 I HN 0.615 nan 8.210 nan 0.000 0.503 598 A N 7.513 130.478 122.820 0.241 0.000 2.445 598 A HA 0.440 4.760 4.320 0.000 0.000 0.242 598 A C 0.248 177.940 177.584 0.180 0.000 1.075 598 A CA -0.176 52.025 52.037 0.272 0.000 0.777 598 A CB 0.233 19.346 19.000 0.189 0.000 1.013 598 A HN 0.763 nan 8.150 nan 0.000 0.493 599 N N 1.081 119.909 118.700 0.212 0.000 2.242 599 N HA 0.573 5.313 4.740 0.000 0.000 0.292 599 N C -3.083 172.548 175.510 0.201 0.000 1.125 599 N CA -1.034 52.122 53.050 0.176 0.000 0.783 599 N CB 2.604 41.208 38.487 0.195 0.000 1.558 599 N HN 0.428 nan 8.380 nan 0.000 0.472 600 P HA 0.430 nan 4.420 nan 0.000 0.278 600 P C -1.010 176.425 177.300 0.225 0.000 1.266 600 P CA -0.538 62.647 63.100 0.142 0.000 0.807 600 P CB 1.403 33.154 31.700 0.085 0.000 1.094 601 L N 0.423 121.733 121.223 0.146 0.000 2.513 601 L HA 0.492 4.832 4.340 0.000 0.000 0.261 601 L C -1.331 175.583 176.870 0.073 0.000 0.945 601 L CA -0.333 54.591 54.840 0.141 0.000 0.848 601 L CB 1.879 43.977 42.059 0.064 0.000 1.334 601 L HN 0.443 nan 8.230 nan 0.000 0.407 602 N N 5.542 124.285 118.700 0.072 0.000 2.576 602 N HA 0.503 5.243 4.740 0.000 0.000 0.269 602 N C -1.827 173.706 175.510 0.038 0.000 1.058 602 N CA -0.458 52.618 53.050 0.043 0.000 0.860 602 N CB 0.930 39.439 38.487 0.037 0.000 1.249 602 N HN 0.605 nan 8.380 nan 0.000 0.525 603 L N 2.161 123.400 121.223 0.026 0.000 2.325 603 L HA 0.584 4.924 4.340 0.000 0.000 0.278 603 L C 0.124 176.999 176.870 0.010 0.000 1.023 603 L CA -0.466 54.385 54.840 0.018 0.000 0.811 603 L CB 1.773 43.842 42.059 0.016 0.000 1.249 603 L HN 0.569 nan 8.230 nan 0.000 0.431 604 S N 1.611 117.311 115.700 0.001 0.000 2.643 604 S HA 0.522 4.992 4.470 0.000 0.000 0.270 604 S C -2.621 171.965 174.600 -0.024 0.000 1.166 604 S CA -1.026 57.169 58.200 -0.008 0.000 0.815 604 S CB 1.820 65.017 63.200 -0.004 0.000 1.139 604 S HN 0.280 nan 8.310 nan 0.000 0.472 605 P HA 0.041 nan 4.420 nan 0.000 0.220 605 P C 0.876 178.153 177.300 -0.039 0.000 1.148 605 P CA 1.189 64.260 63.100 -0.050 0.000 0.803 605 P CB 0.005 31.669 31.700 -0.059 0.000 0.782 606 Q N -1.399 118.384 119.800 -0.028 0.000 2.354 606 Q HA 0.053 4.393 4.340 0.000 0.000 0.203 606 Q C 1.198 177.184 176.000 -0.023 0.000 0.933 606 Q CA 0.617 56.405 55.803 -0.024 0.000 0.901 606 Q CB 0.087 28.815 28.738 -0.018 0.000 1.007 606 Q HN 0.099 nan 8.270 nan 0.000 0.495 607 R N 1.012 121.501 120.500 -0.018 0.000 2.494 607 R HA 0.226 4.566 4.340 0.000 0.000 0.284 607 R C -0.034 176.260 176.300 -0.010 0.000 1.525 607 R CA -0.091 56.002 56.100 -0.012 0.000 1.460 607 R CB 0.276 30.575 30.300 -0.001 0.000 1.134 607 R HN 0.152 nan 8.270 nan 0.000 0.592 608 R N 2.238 122.727 120.500 -0.019 0.000 2.335 608 R HA 0.267 4.607 4.340 0.000 0.000 0.210 608 R C 0.439 176.736 176.300 -0.005 0.000 0.892 608 R CA -0.139 55.951 56.100 -0.016 0.000 1.048 608 R CB 0.621 30.902 30.300 -0.032 0.000 1.067 608 R HN 0.263 nan 8.270 nan 0.000 0.524 609 M N 1.922 121.514 119.600 -0.013 0.000 2.263 609 M HA 0.400 4.880 4.480 0.000 0.000 0.295 609 M C -1.880 174.424 176.300 0.007 0.000 1.028 609 M CA -0.770 54.528 55.300 -0.003 0.000 0.921 609 M CB 2.079 34.644 32.600 -0.058 0.000 1.601 609 M HN 0.029 nan 8.290 nan 0.000 0.440 610 L N 6.222 127.482 121.223 0.061 0.000 2.280 610 L HA 0.469 4.809 4.340 0.000 0.000 0.287 610 L C -0.467 176.474 176.870 0.119 0.000 1.023 610 L CA -1.057 53.833 54.840 0.083 0.000 0.819 610 L CB 1.269 43.408 42.059 0.133 0.000 1.212 610 L HN 0.603 nan 8.230 nan 0.000 0.420 611 I N 4.883 125.489 120.570 0.059 0.000 2.517 611 I HA 0.120 4.290 4.170 0.000 0.000 0.285 611 I C 0.316 176.517 176.117 0.141 0.000 1.106 611 I CA 0.176 61.536 61.300 0.100 0.000 1.402 611 I CB 0.346 38.336 38.000 -0.017 0.000 1.399 611 I HN 0.435 nan 8.210 nan 0.000 0.535 612 I N 6.938 127.629 120.570 0.202 0.000 2.330 612 I HA 0.283 4.453 4.170 0.000 0.000 0.289 612 I C 0.771 177.006 176.117 0.197 0.000 1.001 612 I CA -0.275 61.140 61.300 0.192 0.000 1.193 612 I CB 1.432 39.562 38.000 0.217 0.000 1.345 612 I HN 0.628 nan 8.210 nan 0.000 0.461 613 T N 1.990 116.666 114.554 0.202 0.000 2.844 613 T HA 0.983 5.333 4.350 0.000 0.000 0.274 613 T C 0.144 175.007 174.700 0.272 0.000 0.991 613 T CA -0.653 61.589 62.100 0.238 0.000 0.983 613 T CB 1.936 70.948 68.868 0.240 0.000 1.310 613 T HN 1.040 nan 8.240 nan 0.000 0.596 614 G N 0.343 109.332 108.800 0.316 0.000 2.340 614 G HA2 0.348 4.308 3.960 0.000 0.000 0.527 614 G HA3 0.348 4.308 3.960 0.000 0.000 0.527 614 G C -3.379 171.710 174.900 0.315 0.000 1.381 614 G CA -0.667 44.633 45.100 0.333 0.000 1.001 614 G HN 0.765 nan 8.290 nan 0.000 0.626 615 P HA 0.184 nan 4.420 nan 0.000 0.274 615 P C -0.165 177.250 177.300 0.191 0.000 1.256 615 P CA -0.647 62.644 63.100 0.319 0.000 0.795 615 P CB 0.728 32.613 31.700 0.307 0.000 1.038 616 N N 1.268 120.056 118.700 0.146 0.000 2.454 616 N HA 0.003 4.743 4.740 0.000 0.000 0.260 616 N C 0.626 176.067 175.510 -0.116 0.000 1.218 616 N CA 0.474 53.541 53.050 0.028 0.000 0.904 616 N CB -0.107 38.396 38.487 0.027 0.000 1.065 616 N HN 0.439 nan 8.380 nan 0.000 0.462 617 M N 0.935 120.408 119.600 -0.213 0.000 2.970 617 M HA -0.186 4.294 4.480 0.000 0.000 0.202 617 M C 1.056 177.049 176.300 -0.512 0.000 0.601 617 M CA 0.935 55.969 55.300 -0.442 0.000 0.767 617 M CB -1.749 30.424 32.600 -0.712 0.000 2.747 617 M HN 0.640 nan 8.290 nan 0.000 0.312 618 G N -0.309 108.376 108.800 -0.192 0.000 2.464 618 G HA2 0.373 4.333 3.960 0.000 0.000 0.217 618 G HA3 0.373 4.333 3.960 0.000 0.000 0.217 618 G C 1.187 176.172 174.900 0.142 0.000 1.138 618 G CA 0.909 46.029 45.100 0.034 0.000 0.793 618 G HN 1.189 nan 8.290 nan 0.000 0.539 619 G N -0.353 108.497 108.800 0.084 0.000 2.155 619 G HA2 -0.161 3.799 3.960 0.000 0.000 0.130 619 G HA3 -0.161 3.799 3.960 0.000 0.000 0.130 619 G C 0.937 175.907 174.900 0.116 0.000 1.027 619 G CA 0.467 45.621 45.100 0.090 0.000 0.705 619 G HN 0.457 nan 8.290 nan 0.000 0.496 620 K N 0.521 120.988 120.400 0.111 0.000 2.031 620 K HA 0.054 4.374 4.320 0.000 0.000 0.205 620 K C 2.572 179.280 176.600 0.181 0.000 1.049 620 K CA 1.503 57.885 56.287 0.158 0.000 0.939 620 K CB -0.227 32.353 32.500 0.133 0.000 0.717 620 K HN 0.219 nan 8.250 nan 0.000 0.438 621 S N 0.646 116.415 115.700 0.115 0.000 2.368 621 S HA -0.129 4.341 4.470 0.000 0.000 0.225 621 S C 2.035 176.718 174.600 0.138 0.000 1.030 621 S CA 1.710 59.969 58.200 0.097 0.000 0.999 621 S CB -0.324 62.907 63.200 0.051 0.000 0.844 621 S HN 0.343 nan 8.310 nan 0.000 0.459 622 T N 0.641 115.289 114.554 0.157 0.000 2.777 622 T HA -0.105 4.245 4.350 0.000 0.000 0.266 622 T C 1.565 176.455 174.700 0.317 0.000 1.040 622 T CA 1.328 63.565 62.100 0.228 0.000 1.141 622 T CB -0.454 68.514 68.868 0.167 0.000 0.868 622 T HN 0.489 nan 8.240 nan 0.000 0.444 623 Y N 1.421 121.809 120.300 0.147 0.000 2.207 623 Y HA -0.081 4.469 4.550 0.000 0.000 0.287 623 Y C 2.236 178.195 175.900 0.099 0.000 1.156 623 Y CA 1.130 59.309 58.100 0.131 0.000 1.182 623 Y CB -0.416 38.104 38.460 0.100 0.000 0.979 623 Y HN 0.155 nan 8.280 nan 0.000 0.521 624 M N -0.730 118.910 119.600 0.067 0.000 2.123 624 M HA -0.182 4.298 4.480 0.000 0.000 0.263 624 M C 2.291 178.565 176.300 -0.042 0.000 1.069 624 M CA 1.651 56.928 55.300 -0.039 0.000 1.133 624 M CB -0.305 32.324 32.600 0.048 0.000 1.356 624 M HN 0.132 nan 8.290 nan 0.000 0.415 625 R N 0.542 121.064 120.500 0.037 0.000 2.091 625 R HA -0.211 4.129 4.340 0.000 0.000 0.238 625 R C 2.275 178.510 176.300 -0.107 0.000 1.136 625 R CA 1.910 58.024 56.100 0.023 0.000 0.959 625 R CB -0.529 29.872 30.300 0.168 0.000 0.856 625 R HN 0.586 nan 8.270 nan 0.000 0.437 626 Q N -0.016 119.731 119.800 -0.090 0.000 2.230 626 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 626 Q C 1.320 177.198 176.000 -0.204 0.000 0.963 626 Q CA 1.648 57.309 55.803 -0.237 0.000 0.866 626 Q CB -0.132 28.572 28.738 -0.058 0.000 0.931 626 Q HN 0.104 nan 8.270 nan 0.000 0.452 627 T N 1.422 115.859 114.554 -0.196 0.000 2.708 627 T HA -0.106 4.244 4.350 0.000 0.000 0.266 627 T C 2.010 176.636 174.700 -0.124 0.000 1.037 627 T CA 1.615 63.603 62.100 -0.185 0.000 1.146 627 T CB -0.398 68.328 68.868 -0.237 0.000 0.865 627 T HN 0.536 nan 8.240 nan 0.000 0.435 628 A N 0.969 123.723 122.820 -0.110 0.000 1.930 628 A HA 0.066 4.386 4.320 0.000 0.000 0.217 628 A C 2.304 179.833 177.584 -0.091 0.000 1.175 628 A CA 1.097 53.088 52.037 -0.077 0.000 0.627 628 A CB -0.801 18.162 19.000 -0.061 0.000 0.815 628 A HN 0.462 nan 8.150 nan 0.000 0.443 629 L N -0.756 120.377 121.223 -0.150 0.000 2.093 629 L HA -0.132 4.208 4.340 0.000 0.000 0.208 629 L C 2.417 179.197 176.870 -0.150 0.000 1.085 629 L CA 1.021 55.757 54.840 -0.174 0.000 0.755 629 L CB -0.374 41.503 42.059 -0.302 0.000 0.904 629 L HN 0.368 nan 8.230 nan 0.000 0.435 630 I N -0.444 120.032 120.570 -0.156 0.000 2.252 630 I HA -0.261 3.909 4.170 0.000 0.000 0.245 630 I C 2.762 178.845 176.117 -0.058 0.000 1.102 630 I CA 1.082 62.300 61.300 -0.137 0.000 1.385 630 I CB -0.369 37.546 38.000 -0.142 0.000 1.064 630 I HN 0.186 nan 8.210 nan 0.000 0.414 631 A N 0.709 123.525 122.820 -0.006 0.000 1.908 631 A HA -0.243 4.077 4.320 0.000 0.000 0.218 631 A C 2.370 180.062 177.584 0.179 0.000 1.181 631 A CA 1.706 53.815 52.037 0.120 0.000 0.627 631 A CB -0.926 18.137 19.000 0.104 0.000 0.818 631 A HN 0.487 nan 8.150 nan 0.000 0.445 632 L N -1.236 120.026 121.223 0.064 0.000 2.017 632 L HA -0.193 4.147 4.340 0.000 0.000 0.208 632 L C 2.664 179.582 176.870 0.081 0.000 1.073 632 L CA 1.958 56.835 54.840 0.062 0.000 0.745 632 L CB -0.225 41.825 42.059 -0.014 0.000 0.894 632 L HN 0.444 nan 8.230 nan 0.000 0.432 633 M N -0.664 118.948 119.600 0.020 0.000 2.132 633 M HA -0.157 4.323 4.480 0.000 0.000 0.263 633 M C 2.437 178.760 176.300 0.038 0.000 1.065 633 M CA 1.620 56.930 55.300 0.017 0.000 1.122 633 M CB -0.504 32.055 32.600 -0.069 0.000 1.365 633 M HN 0.440 nan 8.290 nan 0.000 0.411 634 A N -0.304 122.515 122.820 -0.003 0.000 1.927 634 A HA -0.215 4.105 4.320 0.000 0.000 0.220 634 A C 1.496 179.056 177.584 -0.040 0.000 1.185 634 A CA 1.730 53.727 52.037 -0.065 0.000 0.639 634 A CB -1.101 17.810 19.000 -0.149 0.000 0.820 634 A HN 0.573 nan 8.150 nan 0.000 0.451 635 Y N -0.415 119.954 120.300 0.116 0.000 2.495 635 Y HA 0.282 4.832 4.550 0.000 0.000 0.293 635 Y C 1.415 177.313 175.900 -0.002 0.000 1.186 635 Y CA 0.268 58.405 58.100 0.062 0.000 1.266 635 Y CB -0.094 38.375 38.460 0.015 0.000 1.101 635 Y HN 0.525 nan 8.280 nan 0.000 0.517 636 I N -4.768 115.872 120.570 0.118 0.000 4.025 636 I HA 0.539 4.709 4.170 0.000 0.000 0.336 636 I C 1.478 177.629 176.117 0.056 0.000 1.390 636 I CA 0.474 61.809 61.300 0.057 0.000 1.099 636 I CB 0.342 38.452 38.000 0.183 0.000 1.049 636 I HN 0.069 nan 8.210 nan 0.000 0.394 637 G N 1.157 110.008 108.800 0.085 0.000 2.199 637 G HA2 -0.312 3.648 3.960 0.000 0.000 0.254 637 G HA3 -0.312 3.648 3.960 0.000 0.000 0.254 637 G C 0.448 175.471 174.900 0.206 0.000 0.982 637 G CA 0.305 45.485 45.100 0.133 0.000 0.632 637 G HN 0.578 nan 8.290 nan 0.000 0.529 638 S N -0.048 115.773 115.700 0.202 0.000 2.576 638 S HA 0.567 5.037 4.470 0.000 0.000 0.276 638 S C 0.696 175.472 174.600 0.293 0.000 1.339 638 S CA -0.590 57.758 58.200 0.247 0.000 1.039 638 S CB 0.193 63.507 63.200 0.189 0.000 0.902 638 S HN 0.274 nan 8.310 nan 0.000 0.516 639 Y N 1.861 122.216 120.300 0.091 0.000 2.335 639 Y HA 0.379 4.930 4.550 0.000 0.000 0.348 639 Y C 0.787 176.663 175.900 -0.041 0.000 1.280 639 Y CA -0.574 57.568 58.100 0.071 0.000 1.504 639 Y CB 0.181 38.745 38.460 0.174 0.000 1.366 639 Y HN 0.322 nan 8.280 nan 0.000 0.621 640 V N 3.163 123.067 119.914 -0.017 0.000 2.925 640 V HA 0.357 4.477 4.120 0.000 0.000 0.311 640 V C -2.263 173.573 176.094 -0.430 0.000 1.104 640 V CA -2.195 59.908 62.300 -0.328 0.000 0.954 640 V CB 2.661 34.358 31.823 -0.210 0.000 1.022 640 V HN 0.598 nan 8.190 nan 0.000 0.427 641 P HA 0.352 nan 4.420 nan 0.000 0.230 641 P C -0.632 176.606 177.300 -0.104 0.000 1.791 641 P CA 0.380 63.285 63.100 -0.326 0.000 1.020 641 P CB 0.344 31.820 31.700 -0.373 0.000 1.977 642 A N 1.492 124.290 122.820 -0.037 0.000 2.529 642 A HA 0.383 4.703 4.320 0.000 0.000 0.296 642 A C 0.856 178.449 177.584 0.016 0.000 1.205 642 A CA -0.415 51.617 52.037 -0.009 0.000 0.671 642 A CB 0.767 19.743 19.000 -0.039 0.000 1.301 642 A HN 0.194 nan 8.150 nan 0.000 0.450 643 Q N -0.371 119.436 119.800 0.013 0.000 2.297 643 Q HA 0.205 4.545 4.340 0.000 0.000 0.203 643 Q C 0.129 176.119 176.000 -0.016 0.000 0.931 643 Q CA 0.952 56.761 55.803 0.011 0.000 0.885 643 Q CB 0.170 28.919 28.738 0.019 0.000 0.991 643 Q HN 0.475 nan 8.270 nan 0.000 0.498 644 K N -0.095 120.286 120.400 -0.031 0.000 2.557 644 K HA 0.397 4.718 4.320 0.000 0.000 0.257 644 K C -2.080 174.476 176.600 -0.073 0.000 0.933 644 K CA -0.505 55.747 56.287 -0.058 0.000 0.820 644 K CB 2.463 34.938 32.500 -0.043 0.000 1.330 644 K HN -0.042 nan 8.250 nan 0.000 0.432 645 V N 3.067 122.913 119.914 -0.115 0.000 2.668 645 V HA 0.360 4.480 4.120 0.000 0.000 0.304 645 V C -1.148 174.851 176.094 -0.158 0.000 1.071 645 V CA -0.795 61.430 62.300 -0.126 0.000 0.894 645 V CB 1.969 33.701 31.823 -0.151 0.000 1.008 645 V HN 0.751 nan 8.190 nan 0.000 0.425 646 E N 4.402 124.536 120.200 -0.110 0.000 2.187 646 E HA 0.706 5.056 4.350 0.000 0.000 0.268 646 E C -1.118 175.449 176.600 -0.054 0.000 0.896 646 E CA -0.526 55.810 56.400 -0.106 0.000 0.766 646 E CB 3.157 32.820 29.700 -0.062 0.000 1.142 646 E HN 0.599 nan 8.360 nan 0.000 0.408 647 I N 1.871 122.421 120.570 -0.034 0.000 2.607 647 I HA 0.485 4.655 4.170 0.000 0.000 0.290 647 I C -0.021 176.218 176.117 0.204 0.000 1.129 647 I CA -0.462 60.888 61.300 0.083 0.000 1.042 647 I CB 1.444 39.505 38.000 0.100 0.000 1.242 647 I HN 0.660 nan 8.210 nan 0.000 0.421 648 G N 6.166 115.089 108.800 0.205 0.000 2.525 648 G HA2 0.537 4.497 3.960 0.000 0.000 0.287 648 G HA3 0.537 4.497 3.960 0.000 0.000 0.287 648 G C -2.830 172.269 174.900 0.332 0.000 1.350 648 G CA -1.140 44.105 45.100 0.240 0.000 1.039 648 G HN 0.391 nan 8.290 nan 0.000 0.513 649 P HA 0.312 nan 4.420 nan 0.000 0.276 649 P C -0.646 176.751 177.300 0.162 0.000 1.230 649 P CA 0.152 63.386 63.100 0.224 0.000 0.776 649 P CB 0.987 32.805 31.700 0.197 0.000 0.888 650 I N 3.224 123.729 120.570 -0.110 0.000 2.418 650 I HA 0.150 4.320 4.170 0.000 0.000 0.287 650 I C 1.123 177.127 176.117 -0.189 0.000 1.008 650 I CA -0.533 60.701 61.300 -0.110 0.000 1.104 650 I CB 2.077 39.967 38.000 -0.183 0.000 1.264 650 I HN 0.351 nan 8.210 nan 0.000 0.438 651 D N 5.973 126.335 120.400 -0.063 0.000 2.183 651 D HA -0.019 4.621 4.640 0.000 0.000 0.205 651 D C 0.516 176.746 176.300 -0.117 0.000 0.962 651 D CA 0.912 54.853 54.000 -0.099 0.000 0.849 651 D CB 0.406 41.180 40.800 -0.043 0.000 0.978 651 D HN 0.394 nan 8.370 nan 0.000 0.488 652 R N -0.557 119.884 120.500 -0.098 0.000 2.561 652 R HA 0.495 4.835 4.340 0.000 0.000 0.266 652 R C -1.187 174.973 176.300 -0.233 0.000 1.091 652 R CA -0.602 55.359 56.100 -0.232 0.000 0.927 652 R CB 2.026 32.131 30.300 -0.325 0.000 1.240 652 R HN -0.020 nan 8.270 nan 0.000 0.449 653 I N 3.387 123.768 120.570 -0.316 0.000 2.339 653 I HA 0.379 4.549 4.170 0.000 0.000 0.290 653 I C -0.721 175.176 176.117 -0.366 0.000 0.994 653 I CA -0.475 60.704 61.300 -0.202 0.000 1.191 653 I CB 0.779 38.712 38.000 -0.111 0.000 1.343 653 I HN 0.315 nan 8.210 nan 0.000 0.458 654 F N 3.325 123.273 119.950 -0.004 0.000 2.458 654 F HA 0.592 5.119 4.527 0.000 0.000 0.330 654 F C 0.472 176.268 175.800 -0.006 0.000 1.082 654 F CA -0.596 57.403 58.000 -0.002 0.000 0.995 654 F CB 1.993 40.996 39.000 0.005 0.000 1.170 654 F HN 0.221 nan 8.300 nan 0.000 0.478 655 T N 2.938 117.599 114.554 0.179 0.000 2.886 655 T HA 0.447 4.797 4.350 0.000 0.000 0.292 655 T C -0.967 173.778 174.700 0.075 0.000 1.012 655 T CA -0.800 61.355 62.100 0.092 0.000 0.982 655 T CB 1.578 70.475 68.868 0.048 0.000 1.018 655 T HN 0.321 nan 8.240 nan 0.000 0.451 656 R N 2.907 123.426 120.500 0.032 0.000 2.435 656 R HA 0.504 4.844 4.340 0.000 0.000 0.308 656 R C -1.558 174.735 176.300 -0.012 0.000 0.975 656 R CA -0.495 55.611 56.100 0.010 0.000 0.867 656 R CB 1.364 31.660 30.300 -0.007 0.000 1.171 656 R HN 0.469 nan 8.270 nan 0.000 0.470 657 V N 3.895 123.810 119.914 0.002 0.000 2.311 657 V HA 0.480 4.600 4.120 0.000 0.000 0.275 657 V C 0.940 177.037 176.094 0.006 0.000 1.022 657 V CA -0.698 61.600 62.300 -0.003 0.000 0.830 657 V CB 1.285 33.111 31.823 0.005 0.000 1.012 657 V HN 0.791 nan 8.190 nan 0.000 0.452 671 M N 3.618 123.025 119.600 -0.321 0.000 2.267 671 M HA -0.059 4.421 4.480 0.000 0.000 0.263 671 M C 0.897 176.980 176.300 -0.362 0.000 1.063 671 M CA 2.091 57.209 55.300 -0.305 0.000 1.090 671 M CB -0.368 32.074 32.600 -0.262 0.000 1.392 671 M HN 0.477 nan 8.290 nan 0.000 0.422 672 V N -0.502 119.047 119.914 -0.610 0.000 2.323 672 V HA -0.234 3.886 4.120 0.000 0.000 0.244 672 V C 2.199 178.199 176.094 -0.156 0.000 1.041 672 V CA 2.076 64.163 62.300 -0.355 0.000 1.025 672 V CB -0.871 30.730 31.823 -0.372 0.000 0.656 672 V HN 0.595 nan 8.190 nan 0.000 0.451 673 E N -0.044 120.098 120.200 -0.098 0.000 2.097 673 E HA -0.265 4.085 4.350 0.000 0.000 0.196 673 E C 2.227 178.822 176.600 -0.009 0.000 1.000 673 E CA 1.745 58.137 56.400 -0.012 0.000 0.804 673 E CB -0.111 29.616 29.700 0.046 0.000 0.740 673 E HN 0.381 nan 8.360 nan 0.000 0.454 674 M N 0.155 119.744 119.600 -0.019 0.000 2.254 674 M HA -0.056 4.424 4.480 0.000 0.000 0.265 674 M C 2.231 178.527 176.300 -0.007 0.000 1.066 674 M CA 1.227 56.526 55.300 -0.001 0.000 1.123 674 M CB -0.590 32.014 32.600 0.006 0.000 1.388 674 M HN 0.148 nan 8.290 nan 0.000 0.425 675 T N 0.365 114.900 114.554 -0.032 0.000 2.812 675 T HA -0.092 4.258 4.350 0.000 0.000 0.264 675 T C 1.774 176.475 174.700 0.002 0.000 1.042 675 T CA 1.127 63.217 62.100 -0.017 0.000 1.140 675 T CB -0.018 68.821 68.868 -0.049 0.000 0.870 675 T HN 0.420 nan 8.240 nan 0.000 0.445 676 E N 0.486 120.681 120.200 -0.008 0.000 2.051 676 E HA -0.114 4.236 4.350 0.000 0.000 0.192 676 E C 2.443 179.051 176.600 0.014 0.000 0.991 676 E CA 1.394 57.802 56.400 0.013 0.000 0.799 676 E CB -0.157 29.550 29.700 0.011 0.000 0.748 676 E HN 0.349 nan 8.360 nan 0.000 0.449 677 T N 0.888 115.444 114.554 0.003 0.000 2.684 677 T HA -0.216 4.134 4.350 0.000 0.000 0.267 677 T C 1.964 176.643 174.700 -0.036 0.000 1.036 677 T CA 1.384 63.476 62.100 -0.012 0.000 1.148 677 T CB -0.304 68.568 68.868 0.007 0.000 0.863 677 T HN 0.268 nan 8.240 nan 0.000 0.436 678 A N 1.816 124.630 122.820 -0.010 0.000 1.908 678 A HA -0.203 4.117 4.320 0.000 0.000 0.218 678 A C 2.143 179.758 177.584 0.051 0.000 1.181 678 A CA 2.226 54.261 52.037 -0.004 0.000 0.627 678 A CB -0.973 18.083 19.000 0.093 0.000 0.818 678 A HN 0.561 nan 8.150 nan 0.000 0.445 679 N N 0.116 118.861 118.700 0.076 0.000 2.069 679 N HA -0.136 4.604 4.740 0.000 0.000 0.191 679 N C 1.494 176.984 175.510 -0.034 0.000 1.031 679 N CA 2.019 55.125 53.050 0.093 0.000 0.852 679 N CB -0.394 38.151 38.487 0.098 0.000 1.018 679 N HN 0.531 nan 8.380 nan 0.000 0.423 680 I N 0.202 120.673 120.570 -0.165 0.000 2.163 680 I HA -0.271 3.899 4.170 0.000 0.000 0.243 680 I C 1.952 177.817 176.117 -0.419 0.000 1.085 680 I CA 0.938 61.929 61.300 -0.515 0.000 1.347 680 I CB -0.322 37.453 38.000 -0.374 0.000 1.044 680 I HN 0.235 nan 8.210 nan 0.000 0.408 681 L N -0.343 120.723 121.223 -0.261 0.000 2.131 681 L HA -0.210 4.130 4.340 0.000 0.000 0.210 681 L C 2.508 179.215 176.870 -0.271 0.000 1.092 681 L CA 1.102 55.781 54.840 -0.268 0.000 0.759 681 L CB -0.833 41.055 42.059 -0.284 0.000 0.903 681 L HN 0.404 nan 8.230 nan 0.000 0.435 682 H N -0.621 118.395 119.070 -0.090 0.000 2.497 682 H HA 0.090 4.646 4.556 0.000 0.000 0.282 682 H C 1.316 176.624 175.328 -0.034 0.000 1.003 682 H CA 0.751 56.771 56.048 -0.046 0.000 1.307 682 H CB 0.428 30.177 29.762 -0.021 0.000 1.437 682 H HN 0.407 nan 8.280 nan 0.000 0.544 683 N N 0.171 118.894 118.700 0.039 0.000 2.210 683 N HA 0.115 4.855 4.740 0.000 0.000 0.203 683 N C 0.544 176.110 175.510 0.095 0.000 1.175 683 N CA 0.041 53.150 53.050 0.097 0.000 0.894 683 N CB 1.271 39.889 38.487 0.219 0.000 1.041 683 N HN 0.042 nan 8.380 nan 0.000 0.506 684 A N 1.481 124.197 122.820 -0.173 0.000 2.445 684 A HA 0.415 4.735 4.320 0.000 0.000 0.242 684 A C 0.873 178.484 177.584 0.045 0.000 1.075 684 A CA 0.220 52.202 52.037 -0.091 0.000 0.777 684 A CB 0.160 18.977 19.000 -0.305 0.000 1.013 684 A HN 0.256 nan 8.150 nan 0.000 0.493 685 T N -1.567 113.064 114.554 0.127 0.000 2.858 685 T HA 0.489 4.839 4.350 0.000 0.000 0.285 685 T C 0.819 175.579 174.700 0.100 0.000 1.052 685 T CA 0.085 62.261 62.100 0.126 0.000 1.009 685 T CB 1.176 70.164 68.868 0.200 0.000 1.241 685 T HN 0.713 nan 8.240 nan 0.000 0.542 686 E N -0.052 120.184 120.200 0.061 0.000 2.472 686 E HA -0.136 4.214 4.350 0.000 0.000 0.200 686 E C 0.215 176.699 176.600 -0.194 0.000 1.046 686 E CA 1.041 57.388 56.400 -0.087 0.000 0.871 686 E CB -0.395 29.201 29.700 -0.173 0.000 0.806 686 E HN 0.826 nan 8.360 nan 0.000 0.533 687 Y N 1.051 121.370 120.300 0.031 0.000 2.485 687 Y HA 0.243 4.793 4.550 0.000 0.000 0.260 687 Y C 0.686 176.605 175.900 0.032 0.000 1.173 687 Y CA -0.213 57.900 58.100 0.022 0.000 1.252 687 Y CB 0.740 39.203 38.460 0.004 0.000 1.123 687 Y HN -0.110 nan 8.280 nan 0.000 0.524 688 S N 1.194 117.005 115.700 0.186 0.000 2.554 688 S HA 0.394 4.864 4.470 0.000 0.000 0.278 688 S C -0.833 173.859 174.600 0.153 0.000 1.242 688 S CA -0.619 57.704 58.200 0.204 0.000 1.051 688 S CB 1.592 65.012 63.200 0.368 0.000 0.986 688 S HN 0.171 nan 8.310 nan 0.000 0.502 689 L N 3.925 125.230 121.223 0.137 0.000 2.275 689 L HA 0.626 4.966 4.340 0.000 0.000 0.288 689 L C -1.162 175.812 176.870 0.173 0.000 1.046 689 L CA -0.170 54.735 54.840 0.108 0.000 0.805 689 L CB 0.901 42.992 42.059 0.053 0.000 1.193 689 L HN 0.438 nan 8.230 nan 0.000 0.426 690 V N 6.841 126.844 119.914 0.149 0.000 2.407 690 V HA 0.400 4.520 4.120 0.000 0.000 0.291 690 V C -0.257 175.897 176.094 0.100 0.000 1.018 690 V CA -0.537 61.860 62.300 0.161 0.000 0.842 690 V CB 1.582 33.471 31.823 0.110 0.000 0.996 690 V HN 0.584 nan 8.190 nan 0.000 0.426 691 L N 5.778 127.050 121.223 0.082 0.000 2.283 691 L HA 0.560 4.900 4.340 0.000 0.000 0.281 691 L C -0.490 176.368 176.870 -0.019 0.000 1.033 691 L CA -0.355 54.504 54.840 0.033 0.000 0.848 691 L CB 1.168 43.243 42.059 0.027 0.000 1.226 691 L HN 0.457 nan 8.230 nan 0.000 0.429 692 M N 2.918 122.450 119.600 -0.112 0.000 2.061 692 M HA 0.259 4.739 4.480 0.000 0.000 0.346 692 M C -0.522 175.596 176.300 -0.304 0.000 1.112 692 M CA -0.253 54.873 55.300 -0.290 0.000 1.021 692 M CB 1.141 33.341 32.600 -0.667 0.000 1.530 692 M HN 0.302 nan 8.290 nan 0.000 0.437 693 D N 4.619 124.920 120.400 -0.165 0.000 2.485 693 D HA 0.227 4.867 4.640 0.000 0.000 0.229 693 D C -0.223 176.032 176.300 -0.074 0.000 1.101 693 D CA 0.316 54.261 54.000 -0.092 0.000 0.906 693 D CB 0.392 41.173 40.800 -0.032 0.000 1.019 693 D HN 0.701 nan 8.370 nan 0.000 0.516 694 E N 1.354 121.516 120.200 -0.063 0.000 2.340 694 E HA -0.217 4.133 4.350 0.000 0.000 0.240 694 E C 0.561 177.216 176.600 0.093 0.000 1.154 694 E CA 0.212 56.642 56.400 0.051 0.000 0.717 694 E CB -1.663 28.008 29.700 -0.048 0.000 1.250 694 E HN 0.647 nan 8.360 nan 0.000 0.386 695 I N -2.622 117.975 120.570 0.044 0.000 3.156 695 I HA 0.635 4.805 4.170 0.000 0.000 0.306 695 I C 0.976 177.268 176.117 0.292 0.000 1.048 695 I CA 0.396 61.761 61.300 0.107 0.000 1.207 695 I CB 1.129 39.133 38.000 0.006 0.000 1.456 695 I HN 0.138 nan 8.210 nan 0.000 0.616 696 G N 2.028 110.981 108.800 0.256 0.000 2.788 696 G HA2 -0.114 3.846 3.960 0.000 0.000 0.301 696 G HA3 -0.114 3.846 3.960 0.000 0.000 0.301 696 G C -0.597 174.490 174.900 0.313 0.000 1.000 696 G CA -0.763 44.508 45.100 0.285 0.000 1.267 696 G HN 0.831 nan 8.290 nan 0.000 0.578 697 R N 0.415 121.042 120.500 0.211 0.000 2.437 697 R HA 0.735 5.075 4.340 0.000 0.000 0.310 697 R C 0.663 177.047 176.300 0.140 0.000 0.955 697 R CA 0.145 56.360 56.100 0.192 0.000 0.851 697 R CB 1.906 32.307 30.300 0.169 0.000 1.161 697 R HN 0.735 nan 8.270 nan 0.000 0.446 698 G N -0.743 108.131 108.800 0.123 0.000 3.086 698 G HA2 0.237 4.197 3.960 0.000 0.000 0.282 698 G HA3 0.237 4.197 3.960 0.000 0.000 0.282 698 G C 0.379 175.324 174.900 0.076 0.000 1.343 698 G CA -0.312 44.841 45.100 0.089 0.000 0.895 698 G HN 0.498 nan 8.290 nan 0.000 0.557 699 T N -3.306 111.282 114.554 0.057 0.000 3.040 699 T HA 0.398 4.748 4.350 0.000 0.000 0.250 699 T C 0.979 175.697 174.700 0.030 0.000 1.058 699 T CA 0.912 63.038 62.100 0.044 0.000 0.988 699 T CB 0.258 69.150 68.868 0.039 0.000 0.993 699 T HN 0.536 nan 8.240 nan 0.000 0.519 700 S N -0.567 115.149 115.700 0.026 0.000 2.874 700 S HA 0.484 4.954 4.470 0.000 0.000 0.318 700 S C 1.194 175.777 174.600 -0.028 0.000 1.109 700 S CA -0.187 58.017 58.200 0.006 0.000 0.878 700 S CB 1.152 64.363 63.200 0.018 0.000 1.307 700 S HN 0.177 nan 8.310 nan 0.000 0.592 701 T N 0.922 115.418 114.554 -0.096 0.000 2.746 701 T HA -0.023 4.327 4.350 0.000 0.000 0.267 701 T C 0.612 175.092 174.700 -0.366 0.000 1.039 701 T CA 1.749 63.673 62.100 -0.294 0.000 1.142 701 T CB -0.358 68.202 68.868 -0.513 0.000 0.866 701 T HN 0.584 nan 8.240 nan 0.000 0.444 702 Y N -0.110 120.181 120.300 -0.015 0.000 2.426 702 Y HA 0.269 4.819 4.550 0.000 0.000 0.249 702 Y C 1.736 177.588 175.900 -0.079 0.000 1.103 702 Y CA -1.177 56.882 58.100 -0.068 0.000 1.256 702 Y CB -0.094 38.322 38.460 -0.073 0.000 1.208 702 Y HN 0.067 nan 8.280 nan 0.000 0.519 703 D N 0.320 120.772 120.400 0.087 0.000 2.177 703 D HA -0.213 4.427 4.640 0.000 0.000 0.189 703 D C 2.437 178.758 176.300 0.035 0.000 1.002 703 D CA 2.231 56.263 54.000 0.053 0.000 0.845 703 D CB -0.465 40.364 40.800 0.048 0.000 0.960 703 D HN 0.357 nan 8.370 nan 0.000 0.447 704 G N 0.055 108.876 108.800 0.035 0.000 2.408 704 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 704 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 704 G C 1.709 176.577 174.900 -0.054 0.000 1.150 704 G CA 0.984 46.112 45.100 0.047 0.000 0.776 704 G HN 0.416 nan 8.290 nan 0.000 0.542 705 L N 1.020 122.080 121.223 -0.272 0.000 2.046 705 L HA 0.016 4.356 4.340 0.000 0.000 0.208 705 L C 2.662 179.464 176.870 -0.114 0.000 1.077 705 L CA 2.585 57.107 54.840 -0.530 0.000 0.747 705 L CB -0.720 40.909 42.059 -0.717 0.000 0.896 705 L HN 0.111 nan 8.230 nan 0.000 0.432 706 S N -0.151 115.520 115.700 -0.049 0.000 2.383 706 S HA -0.153 4.317 4.470 0.000 0.000 0.229 706 S C 1.944 176.584 174.600 0.067 0.000 1.030 706 S CA 1.816 60.007 58.200 -0.016 0.000 1.002 706 S CB -0.543 62.627 63.200 -0.049 0.000 0.829 706 S HN 0.496 nan 8.310 nan 0.000 0.467 707 L N 0.823 122.084 121.223 0.064 0.000 2.072 707 L HA -0.073 4.268 4.340 0.000 0.000 0.205 707 L C 2.689 179.646 176.870 0.144 0.000 1.079 707 L CA 1.124 56.019 54.840 0.092 0.000 0.752 707 L CB -0.547 41.560 42.059 0.079 0.000 0.906 707 L HN 0.330 nan 8.230 nan 0.000 0.436 708 A N -0.609 122.314 122.820 0.172 0.000 1.933 708 A HA -0.279 4.041 4.320 0.000 0.000 0.218 708 A C 2.140 179.868 177.584 0.239 0.000 1.175 708 A CA 1.509 53.720 52.037 0.289 0.000 0.628 708 A CB -1.030 18.188 19.000 0.363 0.000 0.814 708 A HN 0.700 nan 8.150 nan 0.000 0.444 709 W N 0.784 122.075 121.300 -0.014 0.000 2.355 709 W HA -0.139 4.521 4.660 0.000 0.000 0.309 709 W C 2.249 178.716 176.519 -0.086 0.000 1.206 709 W CA 2.122 59.416 57.345 -0.086 0.000 1.284 709 W CB -0.536 28.869 29.460 -0.091 0.000 1.145 709 W HN 0.402 nan 8.180 nan 0.000 0.502 710 A N -0.319 122.685 122.820 0.306 0.000 2.014 710 A HA -0.164 4.156 4.320 0.000 0.000 0.218 710 A C 2.150 179.771 177.584 0.062 0.000 1.163 710 A CA 1.657 53.806 52.037 0.187 0.000 0.652 710 A CB -1.338 17.742 19.000 0.133 0.000 0.808 710 A HN 0.334 nan 8.150 nan 0.000 0.449 711 C N -1.266 118.075 119.300 0.068 0.000 2.466 711 C HA 0.156 4.616 4.460 0.000 0.000 0.278 711 C C 3.298 178.288 174.990 0.001 0.000 1.288 711 C CA 0.620 59.671 59.018 0.055 0.000 1.722 711 C CB -1.112 26.711 27.740 0.139 0.000 2.017 711 C HN 0.708 nan 8.230 nan 0.000 0.488 712 A N 0.393 123.143 122.820 -0.118 0.000 1.877 712 A HA -0.227 4.093 4.320 0.000 0.000 0.216 712 A C 2.035 179.450 177.584 -0.281 0.000 1.186 712 A CA 1.797 53.610 52.037 -0.373 0.000 0.620 712 A CB -0.697 17.796 19.000 -0.846 0.000 0.822 712 A HN 0.684 nan 8.150 nan 0.000 0.443 713 E N -0.521 119.524 120.200 -0.259 0.000 2.065 713 E HA -0.258 4.092 4.350 0.000 0.000 0.201 713 E C 2.095 178.632 176.600 -0.104 0.000 1.016 713 E CA 1.390 57.687 56.400 -0.172 0.000 0.818 713 E CB -0.242 29.416 29.700 -0.071 0.000 0.749 713 E HN 0.695 nan 8.360 nan 0.000 0.453 714 N N 0.515 119.172 118.700 -0.072 0.000 2.166 714 N HA -0.159 4.581 4.740 0.000 0.000 0.186 714 N C 2.055 177.524 175.510 -0.068 0.000 1.019 714 N CA 0.751 53.765 53.050 -0.060 0.000 0.856 714 N CB -0.031 38.422 38.487 -0.057 0.000 0.993 714 N HN 0.127 nan 8.380 nan 0.000 0.426 715 L N 0.566 121.747 121.223 -0.071 0.000 2.131 715 L HA -0.111 4.229 4.340 0.000 0.000 0.210 715 L C 2.496 179.325 176.870 -0.068 0.000 1.092 715 L CA 1.238 56.043 54.840 -0.059 0.000 0.759 715 L CB -0.244 41.801 42.059 -0.023 0.000 0.903 715 L HN 0.182 nan 8.230 nan 0.000 0.435 716 A N -0.718 122.045 122.820 -0.096 0.000 1.871 716 A HA -0.109 4.211 4.320 0.000 0.000 0.211 716 A C 2.130 179.668 177.584 -0.077 0.000 1.207 716 A CA 1.016 52.995 52.037 -0.097 0.000 0.620 716 A CB -0.467 18.448 19.000 -0.141 0.000 0.860 716 A HN 0.328 nan 8.150 nan 0.000 0.450 717 N N -0.440 118.215 118.700 -0.075 0.000 2.062 717 N HA -0.110 4.630 4.740 0.000 0.000 0.191 717 N C 1.708 177.192 175.510 -0.043 0.000 1.042 717 N CA 1.620 54.638 53.050 -0.055 0.000 0.845 717 N CB -0.047 38.411 38.487 -0.047 0.000 1.024 717 N HN 0.349 nan 8.380 nan 0.000 0.424 718 K N 0.327 120.701 120.400 -0.043 0.000 2.108 718 K HA 0.244 4.564 4.320 0.000 0.000 0.204 718 K C 2.100 178.681 176.600 -0.033 0.000 1.036 718 K CA 0.292 56.559 56.287 -0.034 0.000 0.965 718 K CB -0.025 32.454 32.500 -0.034 0.000 0.804 718 K HN 0.047 nan 8.250 nan 0.000 0.454 719 I N 1.219 121.765 120.570 -0.041 0.000 2.286 719 I HA -0.203 3.967 4.170 0.000 0.000 0.245 719 I C 0.294 176.392 176.117 -0.032 0.000 1.104 719 I CA 0.957 62.236 61.300 -0.036 0.000 1.397 719 I CB -0.096 37.872 38.000 -0.053 0.000 1.072 719 I HN 0.168 nan 8.210 nan 0.000 0.417 720 K N -0.048 120.326 120.400 -0.042 0.000 3.281 720 K HA -0.177 4.143 4.320 0.000 0.000 0.295 720 K C 0.376 176.948 176.600 -0.046 0.000 1.233 720 K CA 0.254 56.511 56.287 -0.049 0.000 0.866 720 K CB -2.119 30.347 32.500 -0.057 0.000 1.265 720 K HN 0.427 nan 8.250 nan 0.000 0.482 721 A N 0.964 123.768 122.820 -0.026 0.000 2.475 721 A HA 0.273 4.593 4.320 0.000 0.000 0.239 721 A C 0.618 178.202 177.584 0.000 0.000 1.087 721 A CA 0.012 52.049 52.037 -0.000 0.000 0.779 721 A CB 0.223 19.235 19.000 0.020 0.000 1.036 721 A HN 0.311 nan 8.150 nan 0.000 0.506 722 L N 1.614 122.848 121.223 0.018 0.000 2.315 722 L HA 0.314 4.654 4.340 0.000 0.000 0.283 722 L C -0.059 176.841 176.870 0.049 0.000 1.089 722 L CA 0.080 54.934 54.840 0.023 0.000 0.833 722 L CB 0.465 42.537 42.059 0.022 0.000 1.170 722 L HN 0.661 nan 8.230 nan 0.000 0.442 723 T N 4.753 119.340 114.554 0.056 0.000 2.841 723 T HA 0.539 4.889 4.350 0.000 0.000 0.285 723 T C -0.202 174.569 174.700 0.118 0.000 0.991 723 T CA -0.480 61.678 62.100 0.097 0.000 0.966 723 T CB 1.549 70.486 68.868 0.115 0.000 0.962 723 T HN 0.291 nan 8.240 nan 0.000 0.438 724 L N 3.313 124.608 121.223 0.121 0.000 2.296 724 L HA 0.567 4.907 4.340 0.000 0.000 0.286 724 L C -0.888 176.094 176.870 0.185 0.000 1.023 724 L CA -0.759 54.166 54.840 0.141 0.000 0.812 724 L CB 1.085 43.191 42.059 0.078 0.000 1.223 724 L HN 0.629 nan 8.230 nan 0.000 0.421 725 F N 3.104 123.092 119.950 0.064 0.000 2.453 725 F HA 0.509 5.036 4.527 0.000 0.000 0.358 725 F C 0.594 176.451 175.800 0.095 0.000 1.129 725 F CA -0.612 57.427 58.000 0.066 0.000 1.200 725 F CB 0.910 39.929 39.000 0.032 0.000 1.431 725 F HN 0.502 nan 8.300 nan 0.000 0.503 726 A N 2.775 125.652 122.820 0.094 0.000 2.477 726 A HA 0.549 4.869 4.320 0.000 0.000 0.246 726 A C 0.210 177.887 177.584 0.154 0.000 1.078 726 A CA 0.317 52.435 52.037 0.135 0.000 0.770 726 A CB 0.437 19.491 19.000 0.089 0.000 1.011 726 A HN 0.562 nan 8.150 nan 0.000 0.494 727 T N 0.138 114.834 114.554 0.236 0.000 2.889 727 T HA 0.487 4.837 4.350 0.000 0.000 0.315 727 T C 0.377 175.237 174.700 0.265 0.000 1.291 727 T CA -0.083 62.191 62.100 0.291 0.000 1.028 727 T CB 0.796 69.908 68.868 0.407 0.000 1.235 727 T HN 0.869 nan 8.240 nan 0.000 0.491 728 H N 1.157 120.211 119.070 -0.026 0.000 2.575 728 H HA 0.357 4.913 4.556 0.000 0.000 0.267 728 H C -0.489 174.829 175.328 -0.016 0.000 0.966 728 H CA -0.279 55.734 56.048 -0.059 0.000 1.165 728 H CB -0.053 29.599 29.762 -0.182 0.000 1.433 728 H HN 0.319 nan 8.280 nan 0.000 0.544 729 Y N 0.933 121.201 120.300 -0.053 0.000 2.556 729 Y HA 0.076 4.626 4.550 0.000 0.000 0.352 729 Y C 0.559 176.562 175.900 0.171 0.000 1.006 729 Y CA -1.177 56.925 58.100 0.004 0.000 1.277 729 Y CB -0.124 38.331 38.460 -0.008 0.000 1.136 729 Y HN 0.166 nan 8.280 nan 0.000 0.523 730 F N 1.608 121.670 119.950 0.187 0.000 2.250 730 F HA -0.200 4.327 4.527 0.000 0.000 0.301 730 F C 1.625 177.524 175.800 0.165 0.000 1.077 730 F CA 1.483 59.569 58.000 0.142 0.000 1.348 730 F CB 0.084 39.138 39.000 0.090 0.000 1.040 730 F HN 0.511 nan 8.300 nan 0.000 0.509 731 E N 0.036 120.425 120.200 0.315 0.000 2.204 731 E HA -0.182 4.168 4.350 0.000 0.000 0.195 731 E C 2.088 178.864 176.600 0.293 0.000 0.990 731 E CA 1.115 57.673 56.400 0.263 0.000 0.821 731 E CB -0.400 29.449 29.700 0.248 0.000 0.750 731 E HN 0.418 nan 8.360 nan 0.000 0.477 732 L N 0.882 122.239 121.223 0.224 0.000 2.465 732 L HA -0.066 4.274 4.340 0.000 0.000 0.224 732 L C 2.156 178.946 176.870 -0.134 0.000 1.145 732 L CA 1.210 56.071 54.840 0.036 0.000 0.834 732 L CB -0.719 41.365 42.059 0.041 0.000 0.944 732 L HN 0.294 nan 8.230 nan 0.000 0.451 733 T N -3.997 110.452 114.554 -0.175 0.000 3.051 733 T HA -0.221 4.129 4.350 0.000 0.000 0.269 733 T C 1.629 176.212 174.700 -0.194 0.000 1.127 733 T CA 0.731 62.666 62.100 -0.275 0.000 1.107 733 T CB -0.078 68.445 68.868 -0.574 0.000 0.898 733 T HN 0.344 nan 8.240 nan 0.000 0.517 734 Q N -0.227 119.516 119.800 -0.096 0.000 2.435 734 Q HA 0.248 4.588 4.340 0.000 0.000 0.207 734 Q C 1.978 177.932 176.000 -0.078 0.000 0.956 734 Q CA 0.158 55.958 55.803 -0.005 0.000 0.917 734 Q CB -0.266 28.581 28.738 0.181 0.000 0.997 734 Q HN 0.563 nan 8.270 nan 0.000 0.497 735 L N 0.478 121.527 121.223 -0.290 0.000 2.017 735 L HA -0.146 4.194 4.340 0.000 0.000 0.208 735 L C -0.866 175.848 176.870 -0.260 0.000 1.073 735 L CA 1.166 55.727 54.840 -0.465 0.000 0.745 735 L CB -0.988 40.654 42.059 -0.694 0.000 0.894 735 L HN 0.187 nan 8.230 nan 0.000 0.432 736 P HA -0.250 nan 4.420 nan 0.000 0.216 736 P C 1.289 178.539 177.300 -0.083 0.000 1.154 736 P CA 1.496 64.523 63.100 -0.122 0.000 0.865 736 P CB 0.051 31.696 31.700 -0.093 0.000 0.789 737 E N -0.608 119.554 120.200 -0.064 0.000 2.085 737 E HA -0.219 4.131 4.350 0.000 0.000 0.194 737 E C 1.635 178.223 176.600 -0.020 0.000 0.994 737 E CA 1.138 57.522 56.400 -0.028 0.000 0.801 737 E CB -0.028 29.671 29.700 -0.003 0.000 0.743 737 E HN 0.108 nan 8.360 nan 0.000 0.453 738 K N -0.684 119.702 120.400 -0.023 0.000 2.314 738 K HA 0.103 4.423 4.320 0.000 0.000 0.198 738 K C 0.680 177.260 176.600 -0.032 0.000 1.045 738 K CA 0.507 56.797 56.287 0.004 0.000 0.988 738 K CB 0.480 33.031 32.500 0.084 0.000 0.783 738 K HN 0.252 nan 8.250 nan 0.000 0.484 739 M N 0.539 120.091 119.600 -0.080 0.000 2.386 739 M HA 0.343 4.823 4.480 0.000 0.000 0.293 739 M C -0.264 175.986 176.300 -0.083 0.000 1.120 739 M CA -0.667 54.580 55.300 -0.087 0.000 0.909 739 M CB 2.557 35.076 32.600 -0.135 0.000 1.661 739 M HN -0.217 nan 8.290 nan 0.000 0.452 740 E N 1.156 121.319 120.200 -0.063 0.000 2.415 740 E HA 0.241 4.591 4.350 0.000 0.000 0.262 740 E C 1.052 177.612 176.600 -0.067 0.000 1.038 740 E CA 1.953 58.320 56.400 -0.055 0.000 0.921 740 E CB 0.809 30.484 29.700 -0.041 0.000 0.950 740 E HN 0.946 nan 8.360 nan 0.000 0.438 741 G N 2.542 111.307 108.800 -0.058 0.000 2.241 741 G HA2 -0.251 3.710 3.960 0.000 0.000 0.244 741 G HA3 -0.251 3.710 3.960 0.000 0.000 0.244 741 G C -0.018 174.842 174.900 -0.066 0.000 0.998 741 G CA 0.209 45.274 45.100 -0.058 0.000 0.621 741 G HN 0.475 nan 8.290 nan 0.000 0.519 742 V N 0.897 120.758 119.914 -0.087 0.000 2.483 742 V HA 0.890 5.010 4.120 0.000 0.000 0.295 742 V C 0.476 176.522 176.094 -0.079 0.000 1.035 742 V CA -0.052 62.185 62.300 -0.105 0.000 0.896 742 V CB 1.441 33.158 31.823 -0.177 0.000 0.986 742 V HN 1.423 nan 8.190 nan 0.000 0.447 743 A N 3.665 126.451 122.820 -0.056 0.000 2.515 743 A HA 0.763 5.084 4.320 0.000 0.000 0.296 743 A C -0.833 176.740 177.584 -0.018 0.000 1.094 743 A CA -0.840 51.178 52.037 -0.031 0.000 0.718 743 A CB 1.540 20.538 19.000 -0.004 0.000 1.307 743 A HN 0.684 nan 8.150 nan 0.000 0.408 744 N N 0.368 119.064 118.700 -0.008 0.000 2.421 744 N HA 0.553 5.293 4.740 0.000 0.000 0.285 744 N C -0.448 175.103 175.510 0.068 0.000 1.027 744 N CA -0.013 53.044 53.050 0.013 0.000 0.918 744 N CB 1.823 40.298 38.487 -0.020 0.000 1.152 744 N HN 0.822 nan 8.380 nan 0.000 0.485 745 V N -0.376 119.598 119.914 0.101 0.000 3.141 745 V HA 0.722 4.842 4.120 0.000 0.000 0.312 745 V C -0.623 175.582 176.094 0.185 0.000 1.157 745 V CA -0.741 61.633 62.300 0.123 0.000 1.041 745 V CB 2.544 34.405 31.823 0.063 0.000 1.071 745 V HN 0.863 nan 8.190 nan 0.000 0.441 746 H N 0.735 119.813 119.070 0.014 0.000 3.017 746 H HA 0.661 5.217 4.556 0.000 0.000 0.346 746 H C -2.335 172.992 175.328 -0.003 0.000 1.286 746 H CA -1.156 54.916 56.048 0.041 0.000 1.120 746 H CB 1.808 31.628 29.762 0.096 0.000 1.860 746 H HN 0.647 nan 8.280 nan 0.000 0.542 747 L N 2.176 123.409 121.223 0.018 0.000 2.272 747 L HA 0.192 4.532 4.340 0.000 0.000 0.289 747 L C 0.388 177.280 176.870 0.037 0.000 1.032 747 L CA -0.247 54.552 54.840 -0.069 0.000 0.810 747 L CB 0.969 43.031 42.059 0.006 0.000 1.205 747 L HN 0.564 nan 8.230 nan 0.000 0.422 748 D N 2.493 122.842 120.400 -0.085 0.000 2.382 748 D HA 0.542 5.182 4.640 0.000 0.000 0.245 748 D C -0.596 175.680 176.300 -0.040 0.000 1.120 748 D CA 0.270 54.277 54.000 0.012 0.000 0.890 748 D CB 1.398 42.168 40.800 -0.051 0.000 1.201 748 D HN 0.603 nan 8.370 nan 0.000 0.433 749 A N 3.259 126.031 122.820 -0.081 0.000 2.515 749 A HA 0.673 4.993 4.320 0.000 0.000 0.298 749 A C -1.346 176.101 177.584 -0.228 0.000 1.059 749 A CA -0.641 51.218 52.037 -0.297 0.000 0.698 749 A CB 1.129 19.752 19.000 -0.627 0.000 1.289 749 A HN 0.515 nan 8.150 nan 0.000 0.404 750 L N 1.074 122.166 121.223 -0.218 0.000 2.362 750 L HA 0.469 4.810 4.340 0.000 0.000 0.275 750 L C -0.183 176.670 176.870 -0.028 0.000 0.998 750 L CA -0.216 54.579 54.840 -0.075 0.000 0.820 750 L CB 2.140 44.169 42.059 -0.051 0.000 1.270 750 L HN 0.799 nan 8.230 nan 0.000 0.415 751 E N 3.587 123.810 120.200 0.038 0.000 2.035 751 E HA 0.202 4.552 4.350 0.000 0.000 0.271 751 E C -1.129 175.531 176.600 0.101 0.000 0.953 751 E CA -0.546 55.874 56.400 0.033 0.000 0.777 751 E CB 0.473 30.212 29.700 0.064 0.000 1.104 751 E HN 0.396 nan 8.360 nan 0.000 0.408 752 H N 2.253 121.286 119.070 -0.062 0.000 2.481 752 H HA 0.499 5.055 4.556 0.000 0.000 0.333 752 H C 0.852 176.157 175.328 -0.038 0.000 1.066 752 H CA -0.384 55.637 56.048 -0.044 0.000 1.209 752 H CB 1.092 30.826 29.762 -0.047 0.000 1.445 752 H HN 0.639 nan 8.280 nan 0.000 0.488 753 G N 3.316 112.106 108.800 -0.016 0.000 2.629 753 G HA2 -0.387 3.573 3.960 0.000 0.000 0.313 753 G HA3 -0.387 3.573 3.960 0.000 0.000 0.313 753 G C 0.439 175.285 174.900 -0.090 0.000 1.217 753 G CA 0.742 45.809 45.100 -0.055 0.000 0.994 753 G HN 0.681 nan 8.290 nan 0.000 0.549 754 D N 1.671 122.001 120.400 -0.116 0.000 2.460 754 D HA 0.434 5.074 4.640 0.000 0.000 0.229 754 D C 0.503 176.719 176.300 -0.140 0.000 1.170 754 D CA 1.225 55.165 54.000 -0.100 0.000 0.827 754 D CB -0.120 40.638 40.800 -0.071 0.000 0.973 754 D HN 0.552 nan 8.370 nan 0.000 0.496 755 T N -0.664 113.756 114.554 -0.224 0.000 2.830 755 T HA 0.420 4.770 4.350 0.000 0.000 0.322 755 T C -1.576 172.929 174.700 -0.326 0.000 1.501 755 T CA -0.667 61.274 62.100 -0.266 0.000 1.036 755 T CB 1.301 69.993 68.868 -0.292 0.000 1.379 755 T HN -0.015 nan 8.240 nan 0.000 0.493 756 I N 3.226 123.616 120.570 -0.299 0.000 2.377 756 I HA 0.805 4.975 4.170 0.000 0.000 0.293 756 I C -0.234 175.562 176.117 -0.535 0.000 0.987 756 I CA -0.366 60.674 61.300 -0.432 0.000 1.185 756 I CB 1.200 38.875 38.000 -0.541 0.000 1.341 756 I HN 0.819 nan 8.210 nan 0.000 0.455 757 A N 6.896 129.435 122.820 -0.468 0.000 2.331 757 A HA 0.690 5.010 4.320 0.000 0.000 0.320 757 A C -1.370 175.868 177.584 -0.577 0.000 1.138 757 A CA -0.382 51.425 52.037 -0.383 0.000 0.790 757 A CB 0.425 19.389 19.000 -0.061 0.000 1.206 757 A HN 0.570 nan 8.150 nan 0.000 0.470 758 F N 3.250 123.055 119.950 -0.242 0.000 2.334 758 F HA 0.266 4.793 4.527 0.000 0.000 0.367 758 F C 1.303 176.729 175.800 -0.625 0.000 1.115 758 F CA -0.757 56.988 58.000 -0.425 0.000 1.116 758 F CB 1.384 40.110 39.000 -0.457 0.000 1.230 758 F HN 0.498 nan 8.300 nan 0.000 0.484 759 M N 1.684 121.106 119.600 -0.297 0.000 2.319 759 M HA -0.067 4.413 4.480 0.000 0.000 0.265 759 M C 0.883 177.066 176.300 -0.195 0.000 1.068 759 M CA 0.957 56.120 55.300 -0.227 0.000 1.118 759 M CB -0.946 31.575 32.600 -0.132 0.000 1.395 759 M HN 0.639 nan 8.290 nan 0.000 0.435 760 H N -0.351 118.695 119.070 -0.041 0.000 2.992 760 H HA -0.093 4.463 4.556 0.000 0.000 0.266 760 H C -0.154 175.091 175.328 -0.139 0.000 1.200 760 H CA 0.705 56.689 56.048 -0.105 0.000 1.135 760 H CB -2.417 27.238 29.762 -0.179 0.000 1.282 760 H HN 0.487 nan 8.280 nan 0.000 0.351 761 S N -0.582 115.080 115.700 -0.062 0.000 2.449 761 S HA 0.600 5.070 4.470 0.000 0.000 0.310 761 S C 0.457 174.934 174.600 -0.206 0.000 1.096 761 S CA -0.805 57.331 58.200 -0.106 0.000 1.095 761 S CB 2.977 66.128 63.200 -0.083 0.000 1.007 761 S HN 0.155 nan 8.310 nan 0.000 0.474 762 V N 4.021 123.780 119.914 -0.258 0.000 2.572 762 V HA 0.305 4.426 4.120 0.000 0.000 0.291 762 V C -0.060 175.875 176.094 -0.264 0.000 1.039 762 V CA -0.134 61.953 62.300 -0.354 0.000 1.055 762 V CB 0.259 31.788 31.823 -0.491 0.000 0.969 762 V HN 0.860 nan 8.190 nan 0.000 0.482 763 Q N 2.071 121.658 119.800 -0.355 0.000 2.423 763 Q HA 0.479 4.819 4.340 0.000 0.000 0.278 763 Q C -1.038 174.920 176.000 -0.070 0.000 1.097 763 Q CA -0.887 54.786 55.803 -0.217 0.000 0.809 763 Q CB 2.151 30.740 28.738 -0.248 0.000 1.391 763 Q HN 0.663 nan 8.270 nan 0.000 0.428 764 D N 0.386 120.805 120.400 0.032 0.000 2.357 764 D HA 0.472 5.112 4.640 0.000 0.000 0.242 764 D C 0.762 177.158 176.300 0.160 0.000 1.153 764 D CA 1.059 55.106 54.000 0.080 0.000 0.918 764 D CB 0.706 41.538 40.800 0.053 0.000 1.181 764 D HN 0.699 nan 8.370 nan 0.000 0.435 765 G N -0.540 108.335 108.800 0.125 0.000 2.756 765 G HA2 0.196 4.156 3.960 0.000 0.000 0.678 765 G HA3 0.196 4.156 3.960 0.000 0.000 0.678 765 G C -0.264 174.698 174.900 0.102 0.000 1.349 765 G CA -0.361 44.796 45.100 0.095 0.000 0.847 765 G HN 0.696 nan 8.290 nan 0.000 0.548 766 A N 0.255 123.065 122.820 -0.018 0.000 2.407 766 A HA 0.851 5.171 4.320 0.000 0.000 0.248 766 A C 1.272 178.721 177.584 -0.225 0.000 1.082 766 A CA 1.213 53.194 52.037 -0.094 0.000 0.785 766 A CB 0.247 19.133 19.000 -0.190 0.000 1.020 766 A HN 2.620 nan 8.150 nan 0.000 0.489 767 A N 2.150 124.827 122.820 -0.239 0.000 2.555 767 A HA 0.337 4.657 4.320 0.000 0.000 0.233 767 A C 1.539 179.093 177.584 -0.050 0.000 1.060 767 A CA 0.507 52.327 52.037 -0.363 0.000 0.759 767 A CB -0.282 18.782 19.000 0.107 0.000 0.995 767 A HN 1.135 nan 8.150 nan 0.000 0.506 768 S N 0.917 116.562 115.700 -0.091 0.000 2.368 768 S HA -0.142 4.328 4.470 0.000 0.000 0.226 768 S C 1.005 175.569 174.600 -0.061 0.000 1.044 768 S CA 1.998 60.183 58.200 -0.026 0.000 1.062 768 S CB -0.360 62.836 63.200 -0.006 0.000 0.931 768 S HN 0.912 nan 8.310 nan 0.000 0.440 769 K N -0.002 120.253 120.400 -0.242 0.000 2.367 769 K HA 0.525 4.845 4.320 0.000 0.000 0.272 769 K C -1.124 175.062 176.600 -0.689 0.000 1.046 769 K CA -0.899 55.062 56.287 -0.543 0.000 0.895 769 K CB 1.237 33.412 32.500 -0.541 0.000 1.512 769 K HN 0.128 nan 8.250 nan 0.000 0.433 770 S N -0.582 114.677 115.700 -0.736 0.000 2.646 770 S HA 0.385 4.855 4.470 0.000 0.000 0.276 770 S C -0.370 173.908 174.600 -0.537 0.000 1.222 770 S CA -0.608 57.319 58.200 -0.455 0.000 1.014 770 S CB 0.174 63.212 63.200 -0.270 0.000 0.991 770 S HN 0.641 nan 8.310 nan 0.000 0.533 771 Y N -0.327 119.974 120.300 0.002 0.000 2.719 771 Y HA 0.373 4.923 4.550 0.000 0.000 0.251 771 Y C 1.982 177.898 175.900 0.027 0.000 1.159 771 Y CA -0.618 57.488 58.100 0.010 0.000 1.166 771 Y CB -0.025 38.457 38.460 0.038 0.000 1.219 771 Y HN 0.860 nan 8.280 nan 0.000 0.551 772 G N 0.817 109.687 108.800 0.116 0.000 2.440 772 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 772 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 772 G C 1.567 176.506 174.900 0.064 0.000 1.154 772 G CA 0.977 46.129 45.100 0.087 0.000 0.767 772 G HN 0.346 nan 8.290 nan 0.000 0.552 773 L N 0.518 121.765 121.223 0.039 0.000 2.017 773 L HA -0.098 4.242 4.340 0.000 0.000 0.208 773 L C 3.446 180.340 176.870 0.040 0.000 1.073 773 L CA 1.328 56.183 54.840 0.025 0.000 0.745 773 L CB -0.758 41.301 42.059 0.001 0.000 0.894 773 L HN 0.345 nan 8.230 nan 0.000 0.432 774 A N -0.290 122.569 122.820 0.065 0.000 1.940 774 A HA -0.145 4.175 4.320 0.000 0.000 0.219 774 A C 2.342 179.963 177.584 0.063 0.000 1.176 774 A CA 1.750 53.824 52.037 0.061 0.000 0.631 774 A CB -0.743 18.314 19.000 0.094 0.000 0.814 774 A HN 0.223 nan 8.150 nan 0.000 0.446 775 V N -0.311 119.664 119.914 0.101 0.000 2.307 775 V HA -0.201 3.919 4.120 0.000 0.000 0.245 775 V C 3.056 179.193 176.094 0.070 0.000 1.045 775 V CA 1.789 64.157 62.300 0.113 0.000 1.024 775 V CB -1.160 30.749 31.823 0.143 0.000 0.651 775 V HN 0.611 nan 8.190 nan 0.000 0.449 776 A N 0.025 122.877 122.820 0.054 0.000 1.940 776 A HA -0.169 4.151 4.320 0.000 0.000 0.219 776 A C 2.390 179.989 177.584 0.025 0.000 1.176 776 A CA 2.204 54.261 52.037 0.033 0.000 0.631 776 A CB -0.700 18.315 19.000 0.026 0.000 0.814 776 A HN 0.580 nan 8.150 nan 0.000 0.446 777 A N -0.543 122.291 122.820 0.023 0.000 1.898 777 A HA 0.026 4.346 4.320 0.000 0.000 0.216 777 A C 2.118 179.708 177.584 0.010 0.000 1.181 777 A CA 1.571 53.615 52.037 0.011 0.000 0.620 777 A CB -0.551 18.451 19.000 0.003 0.000 0.819 777 A HN 0.832 nan 8.150 nan 0.000 0.442 778 L N -0.565 120.669 121.223 0.020 0.000 2.201 778 L HA 0.094 4.434 4.340 0.000 0.000 0.212 778 L C 2.244 179.130 176.870 0.026 0.000 1.105 778 L CA 1.889 56.742 54.840 0.023 0.000 0.775 778 L CB -0.329 41.759 42.059 0.048 0.000 0.913 778 L HN 0.261 nan 8.230 nan 0.000 0.440 779 A N -0.972 121.865 122.820 0.028 0.000 2.238 779 A HA 0.416 4.736 4.320 0.000 0.000 0.208 779 A C 1.766 179.358 177.584 0.013 0.000 1.177 779 A CA 0.576 52.626 52.037 0.021 0.000 0.804 779 A CB -0.856 18.157 19.000 0.022 0.000 0.823 779 A HN 0.839 nan 8.150 nan 0.000 0.482 780 G N -1.761 107.045 108.800 0.010 0.000 2.176 780 G HA2 -0.206 3.754 3.960 0.000 0.000 0.232 780 G HA3 -0.206 3.754 3.960 0.000 0.000 0.232 780 G C 0.261 175.163 174.900 0.004 0.000 0.986 780 G CA -0.053 45.050 45.100 0.005 0.000 0.643 780 G HN 0.770 nan 8.290 nan 0.000 0.522 781 V N 2.855 122.773 119.914 0.005 0.000 2.584 781 V HA 0.201 4.321 4.120 0.000 0.000 0.303 781 V C -0.895 175.199 176.094 0.001 0.000 1.035 781 V CA -0.073 62.229 62.300 0.004 0.000 1.172 781 V CB 0.422 32.248 31.823 0.006 0.000 0.896 781 V HN 0.261 nan 8.190 nan 0.000 0.486 782 P HA 0.011 nan 4.420 nan 0.000 0.264 782 P C 0.796 178.094 177.300 -0.003 0.000 1.179 782 P CA 0.096 63.195 63.100 -0.002 0.000 0.763 782 P CB 0.388 32.087 31.700 -0.001 0.000 0.806 783 K N 2.152 122.549 120.400 -0.004 0.000 2.103 783 K HA -0.226 4.094 4.320 0.000 0.000 0.207 783 K C 1.666 178.263 176.600 -0.005 0.000 1.048 783 K CA 1.491 57.775 56.287 -0.006 0.000 0.930 783 K CB -0.171 32.325 32.500 -0.007 0.000 0.716 783 K HN 0.443 nan 8.250 nan 0.000 0.444 784 E N 1.593 121.790 120.200 -0.005 0.000 2.118 784 E HA -0.139 4.211 4.350 0.000 0.000 0.195 784 E C 1.822 178.419 176.600 -0.004 0.000 0.992 784 E CA 1.092 57.490 56.400 -0.004 0.000 0.804 784 E CB -0.180 29.518 29.700 -0.004 0.000 0.741 784 E HN 0.031 nan 8.360 nan 0.000 0.458 785 V N 0.635 120.547 119.914 -0.003 0.000 2.488 785 V HA -0.150 3.970 4.120 0.000 0.000 0.246 785 V C 2.207 178.299 176.094 -0.003 0.000 1.046 785 V CA 1.162 63.461 62.300 -0.002 0.000 1.053 785 V CB -0.331 31.492 31.823 -0.001 0.000 0.679 785 V HN 0.315 nan 8.190 nan 0.000 0.458 786 I N 0.310 120.878 120.570 -0.003 0.000 2.394 786 I HA -0.186 3.984 4.170 0.000 0.000 0.251 786 I C 2.360 178.473 176.117 -0.007 0.000 1.136 786 I CA 1.509 62.806 61.300 -0.004 0.000 1.425 786 I CB -1.103 36.895 38.000 -0.003 0.000 1.079 786 I HN 0.377 nan 8.210 nan 0.000 0.425 787 K N 1.158 121.554 120.400 -0.007 0.000 2.026 787 K HA -0.243 4.077 4.320 0.000 0.000 0.208 787 K C 2.333 178.928 176.600 -0.008 0.000 1.048 787 K CA 1.593 57.875 56.287 -0.008 0.000 0.929 787 K CB -0.017 32.478 32.500 -0.007 0.000 0.713 787 K HN -0.056 nan 8.250 nan 0.000 0.439 788 R N 0.482 120.978 120.500 -0.007 0.000 2.115 788 R HA -0.009 4.331 4.340 0.000 0.000 0.230 788 R C 1.839 178.135 176.300 -0.007 0.000 1.111 788 R CA 1.638 57.734 56.100 -0.006 0.000 0.976 788 R CB -0.560 29.738 30.300 -0.005 0.000 0.870 788 R HN 0.335 nan 8.270 nan 0.000 0.445 789 A N 0.143 122.958 122.820 -0.007 0.000 1.968 789 A HA -0.035 4.285 4.320 0.000 0.000 0.217 789 A C 2.078 179.654 177.584 -0.014 0.000 1.169 789 A CA 1.011 53.042 52.037 -0.009 0.000 0.638 789 A CB -0.330 18.667 19.000 -0.006 0.000 0.812 789 A HN 0.307 nan 8.150 nan 0.000 0.446 790 R N -0.496 119.995 120.500 -0.015 0.000 2.081 790 R HA -0.162 4.178 4.340 0.000 0.000 0.235 790 R C 2.434 178.722 176.300 -0.020 0.000 1.131 790 R CA 1.763 57.851 56.100 -0.021 0.000 0.960 790 R CB -0.308 29.980 30.300 -0.020 0.000 0.856 790 R HN 0.679 nan 8.270 nan 0.000 0.436 791 Q N 0.272 120.063 119.800 -0.015 0.000 2.050 791 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 791 Q C 2.074 178.067 176.000 -0.012 0.000 0.980 791 Q CA 1.511 57.307 55.803 -0.013 0.000 0.840 791 Q CB -0.065 28.668 28.738 -0.009 0.000 0.898 791 Q HN 0.021 nan 8.270 nan 0.000 0.424 792 K N 0.838 121.232 120.400 -0.011 0.000 2.097 792 K HA -0.172 4.148 4.320 0.000 0.000 0.206 792 K C 1.799 178.392 176.600 -0.011 0.000 1.049 792 K CA 0.785 57.067 56.287 -0.008 0.000 0.933 792 K CB -0.371 32.125 32.500 -0.006 0.000 0.717 792 K HN 0.108 nan 8.250 nan 0.000 0.442 793 L N 1.041 122.253 121.223 -0.018 0.000 2.083 793 L HA -0.098 4.242 4.340 0.000 0.000 0.209 793 L C 1.827 178.680 176.870 -0.029 0.000 1.083 793 L CA 1.676 56.499 54.840 -0.028 0.000 0.752 793 L CB -0.302 41.732 42.059 -0.042 0.000 0.899 793 L HN 0.131 nan 8.230 nan 0.000 0.433 794 R N -0.399 120.085 120.500 -0.026 0.000 2.148 794 R HA -0.089 4.251 4.340 0.000 0.000 0.223 794 R C 2.009 178.300 176.300 -0.015 0.000 1.088 794 R CA 1.224 57.310 56.100 -0.024 0.000 0.985 794 R CB -0.336 29.951 30.300 -0.022 0.000 0.880 794 R HN 0.561 nan 8.270 nan 0.000 0.451 795 E N 1.057 121.251 120.200 -0.010 0.000 2.058 795 E HA -0.162 4.188 4.350 0.000 0.000 0.194 795 E C 2.079 178.679 176.600 -0.000 0.000 0.997 795 E CA 1.126 57.523 56.400 -0.004 0.000 0.801 795 E CB -0.152 29.547 29.700 -0.002 0.000 0.746 795 E HN 0.237 nan 8.360 nan 0.000 0.450 796 L N 0.781 122.004 121.223 0.001 0.000 2.093 796 L HA -0.163 4.177 4.340 0.000 0.000 0.208 796 L C 2.216 179.090 176.870 0.007 0.000 1.085 796 L CA 1.122 55.968 54.840 0.010 0.000 0.755 796 L CB -0.275 41.792 42.059 0.013 0.000 0.904 796 L HN 0.085 nan 8.230 nan 0.000 0.435 797 E N -0.263 119.932 120.200 -0.008 0.000 2.274 797 E HA -0.152 4.198 4.350 0.000 0.000 0.194 797 E C 2.206 178.804 176.600 -0.004 0.000 0.996 797 E CA 1.161 57.554 56.400 -0.013 0.000 0.840 797 E CB 0.035 29.714 29.700 -0.035 0.000 0.772 797 E HN 0.491 nan 8.360 nan 0.000 0.491 798 S N 0.059 115.757 115.700 -0.003 0.000 2.527 798 S HA -0.017 4.453 4.470 0.000 0.000 0.222 798 S C 1.819 176.421 174.600 0.003 0.000 0.985 798 S CA 0.032 58.231 58.200 -0.001 0.000 0.921 798 S CB -0.195 63.003 63.200 -0.003 0.000 0.772 798 S HN 0.123 nan 8.310 nan 0.000 0.529 799 I N 1.503 122.077 120.570 0.007 0.000 2.058 799 I HA -0.110 4.060 4.170 0.000 0.000 0.235 799 I C 2.073 178.194 176.117 0.007 0.000 1.053 799 I CA 1.215 62.520 61.300 0.008 0.000 1.313 799 I CB -0.522 37.488 38.000 0.016 0.000 1.039 799 I HN 0.328 nan 8.210 nan 0.000 0.396 800 S N 0.000 115.708 115.700 0.013 0.000 2.498 800 S HA 0.000 4.470 4.470 0.000 0.000 0.327 800 S CA 0.000 58.208 58.200 0.014 0.000 1.107 800 S CB 0.000 63.216 63.200 0.026 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517