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 2f2h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.162 176.300 -0.230 0.000 1.140 1 M CA 0.000 55.172 55.300 -0.214 0.000 0.988 1 M CB 0.000 32.403 32.600 -0.329 0.000 1.302 2 K N 4.640 124.916 120.400 -0.207 0.000 2.339 2 K HA 0.407 4.727 4.320 0.000 0.000 0.286 2 K C 0.166 176.615 176.600 -0.253 0.000 1.050 2 K CA 0.104 56.274 56.287 -0.195 0.000 0.956 2 K CB 0.709 33.123 32.500 -0.142 0.000 0.990 2 K HN 0.688 nan 8.250 nan 0.000 0.475 3 I N 0.208 120.608 120.570 -0.282 0.000 3.132 3 I HA -0.092 4.078 4.170 0.000 0.000 0.255 3 I C 0.953 176.929 176.117 -0.236 0.000 1.118 3 I CA 0.170 61.266 61.300 -0.339 0.000 1.463 3 I CB -0.002 37.666 38.000 -0.554 0.000 1.356 3 I HN 0.494 nan 8.210 nan 0.000 0.463 4 S N 0.588 116.166 115.700 -0.202 0.000 2.603 4 S HA 0.111 4.581 4.470 0.000 0.000 0.268 4 S C -0.265 174.271 174.600 -0.107 0.000 1.317 4 S CA -0.405 57.715 58.200 -0.134 0.000 1.012 4 S CB 1.386 64.511 63.200 -0.125 0.000 0.926 4 S HN 0.240 nan 8.310 nan 0.000 0.539 5 D N 0.417 120.774 120.400 -0.072 0.000 2.434 5 D HA 0.494 5.134 4.640 0.000 0.000 0.275 5 D C 0.740 177.022 176.300 -0.031 0.000 1.172 5 D CA 0.800 54.772 54.000 -0.047 0.000 0.916 5 D CB -0.073 40.712 40.800 -0.026 0.000 1.041 5 D HN 1.106 nan 8.370 nan 0.000 0.501 6 G N 3.135 111.899 108.800 -0.060 0.000 2.750 6 G HA2 -0.369 3.591 3.960 0.000 0.000 0.228 6 G HA3 -0.369 3.591 3.960 0.000 0.000 0.228 6 G C 0.880 175.676 174.900 -0.174 0.000 1.367 6 G CA 0.044 45.091 45.100 -0.088 0.000 0.871 6 G HN 0.493 nan 8.290 nan 0.000 0.560 7 N N -0.720 117.765 118.700 -0.359 0.000 2.188 7 N HA -0.025 4.715 4.740 0.000 0.000 0.184 7 N C 1.931 177.136 175.510 -0.509 0.000 1.018 7 N CA 2.661 55.349 53.050 -0.603 0.000 0.858 7 N CB -0.154 37.661 38.487 -1.120 0.000 0.989 7 N HN 0.618 nan 8.380 nan 0.000 0.426 8 W N -0.316 120.973 121.300 -0.018 0.000 2.996 8 W HA 0.407 5.067 4.660 0.000 0.000 0.270 8 W C 0.018 176.528 176.519 -0.015 0.000 1.280 8 W CA -0.568 56.769 57.345 -0.014 0.000 1.549 8 W CB 0.400 29.852 29.460 -0.013 0.000 1.079 8 W HN -0.129 nan 8.180 nan 0.000 0.629 9 L N -0.204 121.105 121.223 0.144 0.000 2.277 9 L HA 0.620 4.960 4.340 0.000 0.000 0.254 9 L C -0.472 176.411 176.870 0.022 0.000 1.044 9 L CA -1.325 53.567 54.840 0.087 0.000 0.842 9 L CB 2.063 44.169 42.059 0.079 0.000 1.422 9 L HN -0.329 nan 8.230 nan 0.000 0.422 10 I N 0.128 120.702 120.570 0.006 0.000 2.603 10 I HA 0.253 4.423 4.170 0.000 0.000 0.300 10 I C -0.346 175.745 176.117 -0.043 0.000 1.017 10 I CA -0.919 60.363 61.300 -0.031 0.000 1.098 10 I CB 1.899 39.884 38.000 -0.025 0.000 1.279 10 I HN 0.500 nan 8.210 nan 0.000 0.437 11 Q N 4.521 124.277 119.800 -0.074 0.000 2.304 11 Q HA 0.087 4.427 4.340 0.000 0.000 0.301 11 Q C -2.244 173.720 176.000 -0.060 0.000 1.063 11 Q CA -1.186 54.572 55.803 -0.075 0.000 0.947 11 Q CB -0.172 28.500 28.738 -0.110 0.000 1.201 11 Q HN 0.213 nan 8.270 nan 0.000 0.389 12 P HA 0.004 nan 4.420 nan 0.000 0.264 12 P C 0.640 177.916 177.300 -0.040 0.000 1.193 12 P CA 0.972 64.051 63.100 -0.035 0.000 0.763 12 P CB 0.392 32.076 31.700 -0.028 0.000 0.810 13 G N 1.944 110.724 108.800 -0.033 0.000 2.195 13 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 13 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 13 G C -0.183 174.691 174.900 -0.043 0.000 0.984 13 G CA -0.351 44.729 45.100 -0.032 0.000 0.633 13 G HN 0.467 nan 8.290 nan 0.000 0.525 14 L N 1.189 122.377 121.223 -0.059 0.000 2.295 14 L HA 0.514 4.854 4.340 0.000 0.000 0.285 14 L C -0.563 176.266 176.870 -0.068 0.000 1.035 14 L CA -1.025 53.768 54.840 -0.079 0.000 0.806 14 L CB 1.269 43.255 42.059 -0.121 0.000 1.214 14 L HN 0.001 nan 8.230 nan 0.000 0.426 15 N N 4.816 123.473 118.700 -0.071 0.000 2.408 15 N HA 0.595 5.335 4.740 0.000 0.000 0.280 15 N C -0.915 174.545 175.510 -0.083 0.000 1.002 15 N CA -0.388 52.627 53.050 -0.058 0.000 0.907 15 N CB 2.385 40.850 38.487 -0.038 0.000 1.161 15 N HN 0.423 nan 8.380 nan 0.000 0.488 16 L N 2.569 123.742 121.223 -0.082 0.000 2.334 16 L HA 0.673 5.013 4.340 0.000 0.000 0.276 16 L C 0.104 176.834 176.870 -0.233 0.000 1.014 16 L CA -1.124 53.630 54.840 -0.143 0.000 0.815 16 L CB 1.419 43.406 42.059 -0.121 0.000 1.268 16 L HN 0.438 nan 8.230 nan 0.000 0.428 17 I N -1.725 118.707 120.570 -0.231 0.000 2.689 17 I HA 0.604 4.774 4.170 0.000 0.000 0.299 17 I C -0.945 175.022 176.117 -0.250 0.000 1.059 17 I CA -0.596 60.582 61.300 -0.202 0.000 1.055 17 I CB 2.274 40.291 38.000 0.029 0.000 1.243 17 I HN 0.473 nan 8.210 nan 0.000 0.425 18 H N 2.867 122.005 119.070 0.114 0.000 2.690 18 H HA 0.473 5.029 4.556 0.000 0.000 0.368 18 H C -2.703 172.437 175.328 -0.313 0.000 1.150 18 H CA -2.112 53.810 56.048 -0.211 0.000 1.174 18 H CB 2.244 31.890 29.762 -0.194 0.000 1.684 18 H HN 0.418 nan 8.280 nan 0.000 0.538 19 P HA 0.114 nan 4.420 nan 0.000 0.276 19 P C 0.380 177.015 177.300 -1.108 0.000 1.264 19 P CA 0.072 62.729 63.100 -0.739 0.000 0.769 19 P CB 0.932 32.051 31.700 -0.968 0.000 0.840 20 L N 1.795 122.622 121.223 -0.661 0.000 2.717 20 L HA 0.275 4.615 4.340 0.000 0.000 0.239 20 L C 0.997 177.794 176.870 -0.122 0.000 1.086 20 L CA 0.407 55.009 54.840 -0.396 0.000 0.897 20 L CB 0.530 42.511 42.059 -0.129 0.000 1.214 20 L HN 0.404 nan 8.230 nan 0.000 0.508 21 Q N 0.715 120.485 119.800 -0.050 0.000 2.313 21 Q HA 0.284 4.624 4.340 0.000 0.000 0.260 21 Q C -1.397 174.798 176.000 0.326 0.000 0.972 21 Q CA -0.314 55.617 55.803 0.213 0.000 0.886 21 Q CB 3.059 31.872 28.738 0.125 0.000 1.373 21 Q HN -0.156 nan 8.270 nan 0.000 0.416 22 V N 5.450 125.643 119.914 0.465 0.000 2.529 22 V HA -0.010 4.110 4.120 0.000 0.000 0.292 22 V C 0.587 176.882 176.094 0.334 0.000 1.028 22 V CA 0.820 63.372 62.300 0.419 0.000 1.074 22 V CB 0.228 32.237 31.823 0.311 0.000 0.958 22 V HN 0.817 nan 8.190 nan 0.000 0.481 23 F N 3.707 123.788 119.950 0.218 0.000 2.343 23 F HA 0.341 4.868 4.527 0.000 0.000 0.286 23 F C 0.967 176.867 175.800 0.166 0.000 1.057 23 F CA 0.755 58.855 58.000 0.167 0.000 1.365 23 F CB 0.522 39.616 39.000 0.157 0.000 1.114 23 F HN 0.552 nan 8.300 nan 0.000 0.545 24 E N 0.043 120.348 120.200 0.175 0.000 2.375 24 E HA 0.489 4.839 4.350 0.000 0.000 0.280 24 E C -2.001 174.774 176.600 0.291 0.000 0.972 24 E CA -0.726 55.724 56.400 0.084 0.000 0.782 24 E CB 2.371 32.087 29.700 0.026 0.000 1.229 24 E HN -0.146 nan 8.360 nan 0.000 0.439 25 V N 2.743 122.762 119.914 0.176 0.000 2.540 25 V HA 0.462 4.582 4.120 0.000 0.000 0.302 25 V C -0.609 175.576 176.094 0.152 0.000 1.035 25 V CA -0.665 61.730 62.300 0.157 0.000 0.873 25 V CB 1.710 33.588 31.823 0.093 0.000 0.992 25 V HN 0.662 nan 8.190 nan 0.000 0.428 26 E N 3.020 123.316 120.200 0.161 0.000 2.234 26 E HA 0.417 4.767 4.350 0.000 0.000 0.266 26 E C -0.989 175.677 176.600 0.109 0.000 0.877 26 E CA -0.680 55.807 56.400 0.145 0.000 0.758 26 E CB 2.076 31.905 29.700 0.216 0.000 1.170 26 E HN 0.754 nan 8.360 nan 0.000 0.415 27 Q N 3.392 123.248 119.800 0.093 0.000 2.294 27 Q HA 0.152 4.492 4.340 0.000 0.000 0.257 27 Q C -1.017 175.035 176.000 0.086 0.000 0.955 27 Q CA -0.104 55.755 55.803 0.093 0.000 0.936 27 Q CB 0.918 29.705 28.738 0.082 0.000 1.188 27 Q HN 0.460 nan 8.270 nan 0.000 0.420 28 Q N 4.822 124.675 119.800 0.088 0.000 2.523 28 Q HA 0.162 4.502 4.340 0.000 0.000 0.251 28 Q C -0.729 175.315 176.000 0.074 0.000 1.033 28 Q CA -0.568 55.278 55.803 0.071 0.000 0.746 28 Q CB 1.087 29.861 28.738 0.059 0.000 1.189 28 Q HN 0.869 nan 8.270 nan 0.000 0.508 29 D N 1.510 121.951 120.400 0.068 0.000 3.927 29 D HA -0.275 4.365 4.640 0.000 0.000 0.142 29 D C 0.536 176.897 176.300 0.103 0.000 0.830 29 D CA 2.004 56.047 54.000 0.071 0.000 1.091 29 D CB -0.752 40.084 40.800 0.060 0.000 0.495 29 D HN 0.715 nan 8.370 nan 0.000 0.489 30 N N 2.483 121.259 118.700 0.127 0.000 2.295 30 N HA 0.081 4.821 4.740 0.000 0.000 0.221 30 N C -0.479 175.226 175.510 0.325 0.000 1.129 30 N CA 0.332 53.498 53.050 0.194 0.000 0.836 30 N CB 0.257 38.842 38.487 0.165 0.000 1.040 30 N HN 0.453 nan 8.380 nan 0.000 0.494 31 E N 0.204 120.543 120.200 0.232 0.000 2.288 31 E HA 0.341 4.691 4.350 0.000 0.000 0.268 31 E C -1.086 175.605 176.600 0.153 0.000 0.885 31 E CA -0.681 55.826 56.400 0.178 0.000 0.767 31 E CB 2.523 32.274 29.700 0.086 0.000 1.220 31 E HN 0.077 nan 8.360 nan 0.000 0.427 32 M N 2.978 122.643 119.600 0.109 0.000 2.167 32 M HA 0.331 4.811 4.480 0.000 0.000 0.333 32 M C -1.607 174.779 176.300 0.143 0.000 1.030 32 M CA -0.798 54.588 55.300 0.143 0.000 0.963 32 M CB 1.167 33.871 32.600 0.173 0.000 1.589 32 M HN 0.262 nan 8.290 nan 0.000 0.431 33 V N 5.856 125.817 119.914 0.077 0.000 2.394 33 V HA 0.464 4.584 4.120 0.000 0.000 0.282 33 V C -0.491 175.570 176.094 -0.054 0.000 1.031 33 V CA -0.683 61.597 62.300 -0.033 0.000 0.881 33 V CB 1.554 33.299 31.823 -0.130 0.000 0.982 33 V HN 0.634 nan 8.190 nan 0.000 0.451 34 V N 5.546 125.435 119.914 -0.042 0.000 2.409 34 V HA 0.417 4.537 4.120 0.000 0.000 0.291 34 V C -0.963 175.088 176.094 -0.072 0.000 1.020 34 V CA -0.788 61.549 62.300 0.061 0.000 0.848 34 V CB 1.441 33.437 31.823 0.288 0.000 0.990 34 V HN 0.734 nan 8.190 nan 0.000 0.430 35 Y N 3.156 123.617 120.300 0.269 0.000 2.365 35 Y HA 0.657 5.207 4.550 0.000 0.000 0.340 35 Y C 0.577 176.671 175.900 0.324 0.000 1.016 35 Y CA -0.351 57.919 58.100 0.283 0.000 1.196 35 Y CB 1.267 39.919 38.460 0.320 0.000 1.167 35 Y HN 0.696 nan 8.280 nan 0.000 0.509 36 A N 2.531 125.585 122.820 0.389 0.000 2.343 36 A HA 0.870 5.190 4.320 0.000 0.000 0.308 36 A C -0.706 177.006 177.584 0.215 0.000 1.092 36 A CA -0.642 51.563 52.037 0.279 0.000 0.751 36 A CB 0.592 19.656 19.000 0.107 0.000 1.203 36 A HN 0.791 nan 8.150 nan 0.000 0.452 37 A N 3.206 126.117 122.820 0.151 0.000 2.293 37 A HA 0.795 5.115 4.320 0.000 0.000 0.302 37 A C -2.118 175.501 177.584 0.059 0.000 1.119 37 A CA -1.721 50.373 52.037 0.095 0.000 0.823 37 A CB 0.471 19.517 19.000 0.077 0.000 1.097 37 A HN 0.494 nan 8.150 nan 0.000 0.491 38 P HA 0.128 nan 4.420 nan 0.000 0.253 38 P C -0.263 177.045 177.300 0.013 0.000 1.260 38 P CA 0.372 63.510 63.100 0.064 0.000 0.800 38 P CB -0.125 31.625 31.700 0.083 0.000 1.162 39 R N -3.018 117.477 120.500 -0.008 0.000 2.752 39 R HA 0.417 4.757 4.340 0.000 0.000 0.277 39 R C -1.558 174.713 176.300 -0.048 0.000 1.024 39 R CA -0.918 55.151 56.100 -0.052 0.000 0.866 39 R CB -0.367 29.880 30.300 -0.089 0.000 1.278 39 R HN -0.367 nan 8.270 nan 0.000 0.473 40 D N 1.430 121.765 120.400 -0.109 0.000 2.363 40 D HA 0.109 4.749 4.640 0.000 0.000 0.263 40 D C 0.506 176.785 176.300 -0.036 0.000 1.258 40 D CA -0.092 53.859 54.000 -0.083 0.000 0.907 40 D CB 1.473 42.186 40.800 -0.145 0.000 1.107 40 D HN 0.501 nan 8.370 nan 0.000 0.495 41 V N 1.928 121.891 119.914 0.082 0.000 3.006 41 V HA 0.330 4.450 4.120 0.000 0.000 0.357 41 V C 1.617 177.846 176.094 0.225 0.000 1.377 41 V CA -0.416 61.993 62.300 0.181 0.000 1.198 41 V CB -0.150 31.758 31.823 0.142 0.000 1.216 41 V HN 0.336 nan 8.190 nan 0.000 0.520 42 R N 1.085 121.684 120.500 0.165 0.000 2.152 42 R HA 0.053 4.393 4.340 0.000 0.000 0.232 42 R C 0.390 176.790 176.300 0.167 0.000 1.117 42 R CA 1.141 57.332 56.100 0.151 0.000 0.981 42 R CB 0.129 30.479 30.300 0.085 0.000 0.870 42 R HN 0.710 nan 8.270 nan 0.000 0.451 43 E N -0.035 120.293 120.200 0.214 0.000 2.231 43 E HA 0.158 4.508 4.350 0.000 0.000 0.277 43 E C 0.307 177.021 176.600 0.190 0.000 0.999 43 E CA -0.438 56.088 56.400 0.211 0.000 0.827 43 E CB 1.331 31.212 29.700 0.302 0.000 1.101 43 E HN 0.052 nan 8.360 nan 0.000 0.393 44 R N 0.679 121.241 120.500 0.103 0.000 2.127 44 R HA -0.147 4.193 4.340 0.000 0.000 0.238 44 R C 2.301 178.584 176.300 -0.028 0.000 1.134 44 R CA 1.755 57.888 56.100 0.056 0.000 0.975 44 R CB -0.309 30.011 30.300 0.034 0.000 0.865 44 R HN 0.581 nan 8.270 nan 0.000 0.447 45 T N -1.429 113.052 114.554 -0.122 0.000 2.962 45 T HA -0.143 4.207 4.350 0.000 0.000 0.270 45 T C 1.062 175.414 174.700 -0.579 0.000 1.088 45 T CA 0.830 62.707 62.100 -0.372 0.000 1.127 45 T CB -0.097 68.473 68.868 -0.496 0.000 0.883 45 T HN 0.461 nan 8.240 nan 0.000 0.493 46 W N 1.107 122.406 121.300 -0.001 0.000 3.278 46 W HA 0.387 5.047 4.660 0.000 0.000 0.308 46 W C 1.435 177.931 176.519 -0.038 0.000 1.253 46 W CA -0.745 56.592 57.345 -0.012 0.000 1.759 46 W CB 0.253 29.713 29.460 -0.000 0.000 1.093 46 W HN 0.240 nan 8.180 nan 0.000 0.648 47 Q N 1.777 121.624 119.800 0.078 0.000 2.642 47 Q HA 0.259 4.599 4.340 0.000 0.000 0.319 47 Q C -0.418 175.541 176.000 -0.069 0.000 1.030 47 Q CA 0.172 55.961 55.803 -0.023 0.000 0.943 47 Q CB -0.583 28.144 28.738 -0.018 0.000 1.323 47 Q HN 0.306 nan 8.270 nan 0.000 0.419 48 L N -5.669 115.535 121.223 -0.032 0.000 3.020 48 L HA 0.470 4.810 4.340 0.000 0.000 0.273 48 L C -1.081 175.789 176.870 0.000 0.000 1.018 48 L CA -1.197 53.618 54.840 -0.043 0.000 0.950 48 L CB 1.018 43.041 42.059 -0.060 0.000 1.510 48 L HN -0.195 nan 8.230 nan 0.000 0.404 49 D N 0.029 120.426 120.400 -0.005 0.000 2.689 49 D HA -0.132 4.508 4.640 0.000 0.000 0.237 49 D C -0.341 175.989 176.300 0.049 0.000 1.148 49 D CA 1.845 55.859 54.000 0.022 0.000 0.656 49 D CB -0.617 40.200 40.800 0.029 0.000 1.050 49 D HN 1.008 nan 8.370 nan 0.000 0.426 50 T N -1.086 113.482 114.554 0.023 0.000 2.932 50 T HA 0.524 4.874 4.350 0.000 0.000 0.318 50 T C -2.576 172.114 174.700 -0.016 0.000 1.265 50 T CA -1.270 60.840 62.100 0.017 0.000 1.036 50 T CB 1.541 70.424 68.868 0.024 0.000 1.209 50 T HN -0.223 nan 8.240 nan 0.000 0.484 51 P HA 0.510 nan 4.420 nan 0.000 0.271 51 P C -1.199 176.018 177.300 -0.139 0.000 1.233 51 P CA -0.674 62.368 63.100 -0.097 0.000 0.789 51 P CB 0.447 32.036 31.700 -0.186 0.000 0.951 52 L N 1.125 122.235 121.223 -0.189 0.000 2.482 52 L HA 0.430 4.770 4.340 0.000 0.000 0.263 52 L C -1.177 175.575 176.870 -0.195 0.000 0.957 52 L CA -0.760 54.010 54.840 -0.117 0.000 0.836 52 L CB 1.421 43.467 42.059 -0.021 0.000 1.324 52 L HN 0.284 nan 8.230 nan 0.000 0.406 53 F N 1.173 121.160 119.950 0.061 0.000 2.385 53 F HA 0.385 4.912 4.527 0.000 0.000 0.336 53 F C 0.662 176.517 175.800 0.092 0.000 1.100 53 F CA -0.232 57.800 58.000 0.054 0.000 1.116 53 F CB 1.867 40.863 39.000 -0.007 0.000 1.166 53 F HN 0.266 nan 8.300 nan 0.000 0.511 54 T N 5.029 119.724 114.554 0.235 0.000 2.788 54 T HA 0.547 4.897 4.350 0.000 0.000 0.296 54 T C -0.606 174.105 174.700 0.019 0.000 1.009 54 T CA -0.504 61.637 62.100 0.069 0.000 0.949 54 T CB 0.425 69.326 68.868 0.055 0.000 0.946 54 T HN 0.155 nan 8.240 nan 0.000 0.453 55 L N 3.453 124.652 121.223 -0.041 0.000 2.296 55 L HA 0.585 4.925 4.340 0.000 0.000 0.286 55 L C 0.347 177.079 176.870 -0.230 0.000 1.023 55 L CA -0.432 54.330 54.840 -0.130 0.000 0.812 55 L CB 1.334 43.368 42.059 -0.041 0.000 1.223 55 L HN 0.429 nan 8.230 nan 0.000 0.421 56 R N 2.764 123.062 120.500 -0.336 0.000 2.494 56 R HA 0.629 4.969 4.340 0.000 0.000 0.305 56 R C -1.646 174.413 176.300 -0.400 0.000 0.959 56 R CA -0.506 55.454 56.100 -0.233 0.000 0.864 56 R CB 0.968 31.184 30.300 -0.139 0.000 1.159 56 R HN 0.382 nan 8.270 nan 0.000 0.446 57 F N 5.805 125.646 119.950 -0.181 0.000 2.467 57 F HA 0.478 5.005 4.527 0.000 0.000 0.336 57 F C -0.483 174.869 175.800 -0.748 0.000 1.123 57 F CA -0.610 57.104 58.000 -0.477 0.000 0.964 57 F CB 1.350 39.971 39.000 -0.631 0.000 1.136 57 F HN 0.414 nan 8.300 nan 0.000 0.447 58 F N -0.028 119.550 119.950 -0.620 0.000 2.643 58 F HA 0.774 5.301 4.527 0.000 0.000 0.314 58 F C -0.927 174.914 175.800 0.069 0.000 1.096 58 F CA -1.627 56.175 58.000 -0.329 0.000 0.953 58 F CB 1.618 40.561 39.000 -0.096 0.000 1.345 58 F HN 0.204 nan 8.300 nan 0.000 0.468 59 S N 1.852 117.777 115.700 0.375 0.000 2.707 59 S HA 0.509 4.979 4.470 0.000 0.000 0.312 59 S C -2.070 172.635 174.600 0.175 0.000 1.116 59 S CA -1.468 56.870 58.200 0.230 0.000 1.078 59 S CB 1.376 64.752 63.200 0.293 0.000 0.997 59 S HN 0.598 nan 8.310 nan 0.000 0.477 60 P HA 0.136 nan 4.420 nan 0.000 0.230 60 P C -0.398 176.847 177.300 -0.090 0.000 1.168 60 P CA 0.580 63.694 63.100 0.023 0.000 0.793 60 P CB 0.335 31.992 31.700 -0.071 0.000 0.851 61 Q N -0.799 118.891 119.800 -0.182 0.000 2.522 61 Q HA 0.175 4.515 4.340 0.000 0.000 0.285 61 Q C -0.564 175.362 176.000 -0.122 0.000 0.982 61 Q CA -0.653 55.056 55.803 -0.157 0.000 0.805 61 Q CB 1.567 30.159 28.738 -0.243 0.000 1.457 61 Q HN -0.009 nan 8.270 nan 0.000 0.394 62 E N 0.310 120.460 120.200 -0.083 0.000 2.480 62 E HA 0.104 4.454 4.350 0.000 0.000 0.258 62 E C 0.552 177.108 176.600 -0.072 0.000 0.984 62 E CA 1.633 57.993 56.400 -0.067 0.000 0.930 62 E CB 0.216 29.884 29.700 -0.054 0.000 0.936 62 E HN 0.784 nan 8.360 nan 0.000 0.466 63 G N 4.423 113.189 108.800 -0.057 0.000 2.153 63 G HA2 -0.252 3.708 3.960 0.000 0.000 0.252 63 G HA3 -0.252 3.708 3.960 0.000 0.000 0.252 63 G C 0.289 175.165 174.900 -0.039 0.000 0.994 63 G CA 0.425 45.501 45.100 -0.039 0.000 0.698 63 G HN 0.520 nan 8.290 nan 0.000 0.521 64 I N 0.560 121.087 120.570 -0.072 0.000 2.389 64 I HA 0.513 4.683 4.170 0.000 0.000 0.288 64 I C 0.093 176.208 176.117 -0.004 0.000 0.999 64 I CA -1.167 60.076 61.300 -0.095 0.000 1.129 64 I CB 2.055 39.843 38.000 -0.352 0.000 1.288 64 I HN 0.061 nan 8.210 nan 0.000 0.444 65 V N 5.629 125.580 119.914 0.062 0.000 2.384 65 V HA 0.777 4.897 4.120 0.000 0.000 0.287 65 V C 0.235 176.274 176.094 -0.092 0.000 1.020 65 V CA -0.119 62.239 62.300 0.096 0.000 0.850 65 V CB 1.237 33.255 31.823 0.325 0.000 0.987 65 V HN 0.785 nan 8.190 nan 0.000 0.436 66 G N 5.007 113.539 108.800 -0.447 0.000 2.390 66 G HA2 0.557 4.517 3.960 0.000 0.000 0.270 66 G HA3 0.557 4.517 3.960 0.000 0.000 0.270 66 G C -0.837 173.511 174.900 -0.921 0.000 1.211 66 G CA -0.390 44.023 45.100 -1.146 0.000 0.842 66 G HN 1.154 nan 8.290 nan 0.000 0.519 67 V N 2.802 122.184 119.914 -0.886 0.000 2.482 67 V HA 0.483 4.603 4.120 0.000 0.000 0.295 67 V C 0.059 175.812 176.094 -0.570 0.000 1.026 67 V CA -0.898 60.921 62.300 -0.802 0.000 0.856 67 V CB 1.514 32.789 31.823 -0.914 0.000 1.001 67 V HN 0.835 nan 8.190 nan 0.000 0.424 68 R N 5.168 125.470 120.500 -0.331 0.000 2.343 68 R HA 0.708 5.048 4.340 0.000 0.000 0.320 68 R C -1.366 174.881 176.300 -0.088 0.000 0.956 68 R CA -0.560 55.487 56.100 -0.089 0.000 0.836 68 R CB 1.169 31.465 30.300 -0.006 0.000 1.151 68 R HN 0.742 nan 8.270 nan 0.000 0.450 69 I N 4.575 125.182 120.570 0.062 0.000 2.355 69 I HA 0.287 4.457 4.170 0.000 0.000 0.288 69 I C -0.333 175.930 176.117 0.243 0.000 0.999 69 I CA -0.564 60.799 61.300 0.105 0.000 1.163 69 I CB 1.749 39.796 38.000 0.080 0.000 1.316 69 I HN 0.501 nan 8.210 nan 0.000 0.454 70 E N 4.739 125.086 120.200 0.244 0.000 2.199 70 E HA 0.327 4.677 4.350 0.000 0.000 0.269 70 E C -0.261 176.485 176.600 0.243 0.000 0.899 70 E CA -0.653 55.904 56.400 0.262 0.000 0.772 70 E CB 2.781 32.577 29.700 0.160 0.000 1.155 70 E HN 0.597 nan 8.360 nan 0.000 0.408 71 H N 2.789 121.862 119.070 0.005 0.000 2.431 71 H HA 0.167 4.723 4.556 0.000 0.000 0.335 71 H C -0.284 174.977 175.328 -0.111 0.000 1.259 71 H CA 0.118 55.956 56.048 -0.350 0.000 1.907 71 H CB 0.300 29.541 29.762 -0.869 0.000 1.549 71 H HN 0.307 nan 8.280 nan 0.000 0.633 72 F N 1.992 121.710 119.950 -0.386 0.000 2.411 72 F HA 0.192 4.719 4.527 0.000 0.000 0.350 72 F C 1.324 177.070 175.800 -0.090 0.000 1.114 72 F CA -0.316 57.496 58.000 -0.312 0.000 1.135 72 F CB 1.420 40.242 39.000 -0.298 0.000 1.120 72 F HN 0.414 nan 8.300 nan 0.000 0.495 73 Q N 1.854 121.716 119.800 0.103 0.000 2.425 73 Q HA 0.071 4.411 4.340 0.000 0.000 0.204 73 Q C 1.911 177.926 176.000 0.025 0.000 0.933 73 Q CA 0.524 56.356 55.803 0.047 0.000 0.939 73 Q CB 0.249 28.990 28.738 0.005 0.000 1.044 73 Q HN 0.999 nan 8.270 nan 0.000 0.513 74 G N 0.444 109.248 108.800 0.007 0.000 2.920 74 G HA2 0.221 4.181 3.960 0.000 0.000 0.208 74 G HA3 0.221 4.181 3.960 0.000 0.000 0.208 74 G C 0.428 175.343 174.900 0.025 0.000 1.159 74 G CA 0.226 45.313 45.100 -0.022 0.000 0.784 74 G HN 0.315 nan 8.290 nan 0.000 0.535 75 A N -0.098 122.772 122.820 0.084 0.000 2.425 75 A HA 0.479 4.799 4.320 0.000 0.000 0.242 75 A C 1.522 179.163 177.584 0.094 0.000 1.077 75 A CA -0.402 51.703 52.037 0.113 0.000 0.781 75 A CB 0.455 19.561 19.000 0.177 0.000 1.020 75 A HN 0.198 nan 8.150 nan 0.000 0.494 76 L N 0.981 122.258 121.223 0.091 0.000 2.012 76 L HA -0.203 4.137 4.340 0.000 0.000 0.210 76 L C 0.631 177.561 176.870 0.101 0.000 1.073 76 L CA 1.579 56.467 54.840 0.080 0.000 0.748 76 L CB -0.780 41.323 42.059 0.073 0.000 0.891 76 L HN 0.942 nan 8.230 nan 0.000 0.431 77 N N 1.043 119.829 118.700 0.144 0.000 2.669 77 N HA -0.173 4.567 4.740 0.000 0.000 0.266 77 N C -0.618 174.994 175.510 0.171 0.000 1.024 77 N CA -0.222 52.945 53.050 0.196 0.000 0.766 77 N CB -1.104 37.514 38.487 0.219 0.000 0.898 77 N HN 0.391 nan 8.380 nan 0.000 0.548 78 N N 0.348 119.114 118.700 0.110 0.000 2.424 78 N HA 0.291 5.031 4.740 0.000 0.000 0.257 78 N C 1.123 176.572 175.510 -0.101 0.000 1.250 78 N CA 0.210 53.283 53.050 0.039 0.000 0.946 78 N CB 0.627 39.128 38.487 0.023 0.000 1.175 78 N HN 0.383 nan 8.380 nan 0.000 0.477 79 G N 0.219 108.848 108.800 -0.284 0.000 2.535 79 G HA2 0.305 4.265 3.960 0.000 0.000 0.282 79 G HA3 0.305 4.265 3.960 0.000 0.000 0.282 79 G C -2.370 172.309 174.900 -0.367 0.000 1.350 79 G CA -0.640 44.051 45.100 -0.682 0.000 1.039 79 G HN 0.344 nan 8.290 nan 0.000 0.509 80 P HA 0.207 nan 4.420 nan 0.000 0.274 80 P C -0.893 175.951 177.300 -0.760 0.000 1.246 80 P CA -0.046 62.722 63.100 -0.553 0.000 0.795 80 P CB 0.933 32.300 31.700 -0.554 0.000 1.006 81 H N -0.738 118.127 119.070 -0.341 0.000 2.670 81 H HA 0.308 4.864 4.556 0.000 0.000 0.361 81 H C 0.036 175.158 175.328 -0.343 0.000 1.169 81 H CA -0.331 55.532 56.048 -0.307 0.000 1.198 81 H CB 0.276 29.949 29.762 -0.149 0.000 1.700 81 H HN 0.335 nan 8.280 nan 0.000 0.542 82 Y N 1.786 122.010 120.300 -0.128 0.000 2.578 82 Y HA 0.046 4.596 4.550 0.000 0.000 0.339 82 Y C -1.408 174.346 175.900 -0.242 0.000 1.231 82 Y CA -1.942 56.029 58.100 -0.214 0.000 1.461 82 Y CB 0.015 38.384 38.460 -0.152 0.000 1.323 82 Y HN 0.357 nan 8.280 nan 0.000 0.590 83 P HA 0.102 nan 4.420 nan 0.000 0.220 83 P C -0.867 176.280 177.300 -0.255 0.000 1.806 83 P CA -0.087 62.900 63.100 -0.189 0.000 0.976 83 P CB -0.239 31.310 31.700 -0.251 0.000 1.952 84 L N 1.875 122.932 121.223 -0.276 0.000 2.397 84 L HA 0.213 4.553 4.340 0.000 0.000 0.271 84 L C 0.944 177.682 176.870 -0.220 0.000 1.148 84 L CA 0.339 54.901 54.840 -0.463 0.000 0.825 84 L CB -0.207 41.557 42.059 -0.492 0.000 1.117 84 L HN 0.115 nan 8.230 nan 0.000 0.456 85 N N 4.515 123.109 118.700 -0.176 0.000 2.462 85 N HA 0.333 5.073 4.740 0.000 0.000 0.242 85 N C -0.646 174.957 175.510 0.156 0.000 1.010 85 N CA -0.046 53.004 53.050 0.001 0.000 0.939 85 N CB 1.143 39.623 38.487 -0.013 0.000 1.127 85 N HN 0.425 nan 8.380 nan 0.000 0.509 86 I N 3.499 124.141 120.570 0.120 0.000 2.382 86 I HA 0.274 4.444 4.170 0.000 0.000 0.285 86 I C 0.118 176.295 176.117 0.099 0.000 1.007 86 I CA -0.623 60.775 61.300 0.162 0.000 1.142 86 I CB 1.270 39.374 38.000 0.173 0.000 1.289 86 I HN 0.159 nan 8.210 nan 0.000 0.453 87 L N 6.042 127.315 121.223 0.083 0.000 2.371 87 L HA 0.250 4.590 4.340 0.000 0.000 0.272 87 L C 1.131 178.048 176.870 0.079 0.000 1.124 87 L CA -0.392 54.484 54.840 0.060 0.000 0.816 87 L CB 0.778 42.858 42.059 0.036 0.000 1.129 87 L HN 0.591 nan 8.230 nan 0.000 0.448 88 Q N 1.331 121.168 119.800 0.062 0.000 2.384 88 Q HA 0.002 4.342 4.340 0.000 0.000 0.207 88 Q C 0.071 176.110 176.000 0.065 0.000 0.904 88 Q CA 0.409 56.251 55.803 0.065 0.000 0.933 88 Q CB 0.440 29.205 28.738 0.045 0.000 1.077 88 Q HN 0.780 nan 8.270 nan 0.000 0.522 89 D N -1.427 119.005 120.400 0.053 0.000 2.599 89 D HA 0.064 4.704 4.640 0.000 0.000 0.249 89 D C 0.084 176.404 176.300 0.033 0.000 1.313 89 D CA -0.403 53.622 54.000 0.041 0.000 0.815 89 D CB -0.115 40.701 40.800 0.027 0.000 1.077 89 D HN -0.265 nan 8.370 nan 0.000 0.492 90 V N 1.293 121.233 119.914 0.043 0.000 2.617 90 V HA -0.053 4.067 4.120 0.000 0.000 0.304 90 V C 0.997 177.099 176.094 0.014 0.000 1.040 90 V CA -0.080 62.235 62.300 0.025 0.000 1.149 90 V CB 0.547 32.392 31.823 0.036 0.000 0.914 90 V HN 0.181 nan 8.190 nan 0.000 0.487 91 K N 4.685 125.076 120.400 -0.015 0.000 2.379 91 K HA 0.401 4.721 4.320 0.000 0.000 0.284 91 K C -0.526 176.027 176.600 -0.077 0.000 1.044 91 K CA -0.195 56.072 56.287 -0.035 0.000 0.974 91 K CB 0.734 33.211 32.500 -0.038 0.000 0.962 91 K HN 0.662 nan 8.250 nan 0.000 0.474 92 V N 0.224 120.075 119.914 -0.105 0.000 3.130 92 V HA 0.583 4.703 4.120 0.000 0.000 0.310 92 V C -0.721 175.244 176.094 -0.214 0.000 1.158 92 V CA -0.861 61.296 62.300 -0.240 0.000 1.029 92 V CB 2.020 33.638 31.823 -0.340 0.000 1.057 92 V HN 0.664 nan 8.190 nan 0.000 0.436 93 T N 3.012 117.386 114.554 -0.300 0.000 2.824 93 T HA 0.742 5.092 4.350 0.000 0.000 0.282 93 T C -0.585 173.986 174.700 -0.215 0.000 0.993 93 T CA -0.118 61.864 62.100 -0.197 0.000 0.967 93 T CB 1.118 69.892 68.868 -0.157 0.000 0.960 93 T HN 0.670 nan 8.240 nan 0.000 0.441 94 I N 3.851 124.370 120.570 -0.086 0.000 2.410 94 I HA 0.340 4.510 4.170 0.000 0.000 0.286 94 I C -0.111 176.001 176.117 -0.009 0.000 1.009 94 I CA -0.707 60.588 61.300 -0.008 0.000 1.111 94 I CB 1.423 39.480 38.000 0.096 0.000 1.262 94 I HN 0.647 nan 8.210 nan 0.000 0.443 95 E N 5.146 125.335 120.200 -0.018 0.000 2.199 95 E HA 0.415 4.765 4.350 0.000 0.000 0.265 95 E C -1.259 175.344 176.600 0.006 0.000 0.882 95 E CA -0.906 55.489 56.400 -0.008 0.000 0.759 95 E CB 2.403 32.093 29.700 -0.016 0.000 1.148 95 E HN 0.371 nan 8.360 nan 0.000 0.412 96 N N 2.752 121.460 118.700 0.015 0.000 2.569 96 N HA 0.190 4.930 4.740 0.000 0.000 0.254 96 N C -1.337 174.181 175.510 0.014 0.000 1.004 96 N CA -0.172 52.889 53.050 0.019 0.000 0.904 96 N CB 1.480 39.983 38.487 0.026 0.000 1.165 96 N HN 0.665 nan 8.380 nan 0.000 0.513 97 T N -0.702 113.861 114.554 0.015 0.000 2.883 97 T HA 0.345 4.695 4.350 0.000 0.000 0.284 97 T C 0.914 175.597 174.700 -0.028 0.000 1.041 97 T CA -0.667 61.432 62.100 -0.002 0.000 1.007 97 T CB 1.351 70.226 68.868 0.012 0.000 1.220 97 T HN 0.402 nan 8.240 nan 0.000 0.552 98 E N -0.310 119.859 120.200 -0.052 0.000 2.204 98 E HA -0.067 4.283 4.350 0.000 0.000 0.194 98 E C 1.979 178.505 176.600 -0.123 0.000 0.989 98 E CA 0.701 57.059 56.400 -0.070 0.000 0.824 98 E CB 0.082 29.744 29.700 -0.064 0.000 0.756 98 E HN 0.536 nan 8.360 nan 0.000 0.477 99 R N -1.460 118.913 120.500 -0.212 0.000 2.225 99 R HA 0.176 4.516 4.340 0.000 0.000 0.194 99 R C -0.152 175.834 176.300 -0.523 0.000 0.957 99 R CA 0.321 56.157 56.100 -0.440 0.000 1.042 99 R CB 0.652 30.536 30.300 -0.693 0.000 1.004 99 R HN 0.111 nan 8.270 nan 0.000 0.509 100 Y N -1.273 118.989 120.300 -0.062 0.000 2.597 100 Y HA 0.550 5.100 4.550 0.000 0.000 0.340 100 Y C -0.872 174.970 175.900 -0.097 0.000 1.097 100 Y CA -1.510 56.530 58.100 -0.099 0.000 1.037 100 Y CB 2.000 40.392 38.460 -0.113 0.000 1.305 100 Y HN -0.171 nan 8.280 nan 0.000 0.463 101 A N 1.763 124.617 122.820 0.057 0.000 2.318 101 A HA 0.655 4.975 4.320 0.000 0.000 0.317 101 A C -1.183 176.314 177.584 -0.144 0.000 1.159 101 A CA -0.547 51.468 52.037 -0.036 0.000 0.799 101 A CB 1.203 20.173 19.000 -0.050 0.000 1.194 101 A HN 0.739 nan 8.150 nan 0.000 0.479 102 E N 2.162 122.290 120.200 -0.120 0.000 2.241 102 E HA 0.537 4.887 4.350 0.000 0.000 0.263 102 E C -1.993 174.551 176.600 -0.092 0.000 0.882 102 E CA -0.448 55.850 56.400 -0.171 0.000 0.769 102 E CB 1.221 30.820 29.700 -0.169 0.000 1.185 102 E HN 0.546 nan 8.360 nan 0.000 0.415 103 F N 4.374 124.158 119.950 -0.277 0.000 2.426 103 F HA 0.498 5.026 4.527 0.000 0.000 0.348 103 F C -0.960 174.767 175.800 -0.122 0.000 1.124 103 F CA -0.595 57.300 58.000 -0.175 0.000 1.008 103 F CB 1.059 39.947 39.000 -0.188 0.000 1.139 103 F HN 0.291 nan 8.300 nan 0.000 0.452 104 K N 4.264 124.275 120.400 -0.648 0.000 2.426 104 K HA 0.518 4.838 4.320 0.000 0.000 0.254 104 K C -1.486 174.803 176.600 -0.518 0.000 0.936 104 K CA -0.631 55.398 56.287 -0.430 0.000 0.801 104 K CB 1.754 34.099 32.500 -0.257 0.000 1.139 104 K HN 0.578 nan 8.250 nan 0.000 0.424 105 S N 3.046 118.566 115.700 -0.299 0.000 2.707 105 S HA 0.606 5.076 4.470 0.000 0.000 0.312 105 S C 0.250 174.787 174.600 -0.106 0.000 1.116 105 S CA 0.476 58.562 58.200 -0.190 0.000 1.078 105 S CB 0.716 63.866 63.200 -0.084 0.000 0.997 105 S HN 1.037 nan 8.310 nan 0.000 0.477 106 G N 5.512 114.252 108.800 -0.099 0.000 2.591 106 G HA2 -0.342 3.618 3.960 0.000 0.000 0.298 106 G HA3 -0.342 3.618 3.960 0.000 0.000 0.298 106 G C 0.418 175.278 174.900 -0.067 0.000 1.195 106 G CA 0.731 45.788 45.100 -0.070 0.000 0.989 106 G HN 0.763 nan 8.290 nan 0.000 0.551 107 N N 0.032 118.703 118.700 -0.048 0.000 2.280 107 N HA 0.373 5.113 4.740 0.000 0.000 0.192 107 N C 0.234 175.723 175.510 -0.034 0.000 1.109 107 N CA -0.082 52.943 53.050 -0.042 0.000 0.855 107 N CB 0.523 38.994 38.487 -0.028 0.000 0.974 107 N HN 0.404 nan 8.380 nan 0.000 0.482 108 L N 1.398 122.605 121.223 -0.028 0.000 2.272 108 L HA 0.425 4.765 4.340 0.000 0.000 0.289 108 L C -0.171 176.700 176.870 0.000 0.000 1.032 108 L CA -0.590 54.252 54.840 0.005 0.000 0.810 108 L CB 0.927 43.005 42.059 0.032 0.000 1.205 108 L HN -0.034 nan 8.230 nan 0.000 0.422 109 S N 3.881 119.581 115.700 -0.001 0.000 2.607 109 S HA 0.959 5.429 4.470 0.000 0.000 0.303 109 S C -0.503 174.102 174.600 0.008 0.000 1.086 109 S CA -0.446 57.738 58.200 -0.026 0.000 0.995 109 S CB 1.785 64.916 63.200 -0.115 0.000 1.084 109 S HN 1.002 nan 8.310 nan 0.000 0.507 110 A N 1.782 124.579 122.820 -0.039 0.000 2.303 110 A HA 0.764 5.084 4.320 0.000 0.000 0.320 110 A C -0.146 177.171 177.584 -0.446 0.000 1.192 110 A CA -0.820 51.046 52.037 -0.285 0.000 0.821 110 A CB 0.736 19.616 19.000 -0.200 0.000 1.188 110 A HN 0.862 nan 8.150 nan 0.000 0.492 111 R N 2.448 122.644 120.500 -0.506 0.000 2.480 111 R HA 0.615 4.955 4.340 0.000 0.000 0.306 111 R C -1.731 174.273 176.300 -0.494 0.000 0.958 111 R CA -0.339 55.472 56.100 -0.481 0.000 0.861 111 R CB 1.648 31.638 30.300 -0.517 0.000 1.171 111 R HN 0.493 nan 8.270 nan 0.000 0.445 112 V N 2.912 122.571 119.914 -0.425 0.000 2.459 112 V HA 0.293 4.413 4.120 0.000 0.000 0.295 112 V C -0.157 175.805 176.094 -0.220 0.000 1.029 112 V CA -0.683 61.341 62.300 -0.461 0.000 0.874 112 V CB 1.910 33.457 31.823 -0.461 0.000 0.985 112 V HN 0.773 nan 8.190 nan 0.000 0.438 113 S N 4.889 120.442 115.700 -0.245 0.000 2.439 113 S HA 0.317 4.787 4.470 0.000 0.000 0.282 113 S C 0.175 174.748 174.600 -0.046 0.000 1.170 113 S CA -0.512 57.691 58.200 0.006 0.000 1.054 113 S CB 0.154 63.366 63.200 0.019 0.000 0.956 113 S HN 0.614 nan 8.310 nan 0.000 0.490 114 K N 1.928 122.322 120.400 -0.010 0.000 2.180 114 K HA 0.517 4.837 4.320 0.000 0.000 0.251 114 K C 1.110 177.725 176.600 0.024 0.000 1.014 114 K CA 0.301 56.601 56.287 0.021 0.000 0.913 114 K CB 0.296 32.788 32.500 -0.013 0.000 1.008 114 K HN 0.823 nan 8.250 nan 0.000 0.490 115 G N 0.803 109.629 108.800 0.044 0.000 2.527 115 G HA2 -0.295 3.665 3.960 0.000 0.000 0.227 115 G HA3 -0.295 3.665 3.960 0.000 0.000 0.227 115 G C 0.574 175.457 174.900 -0.028 0.000 1.291 115 G CA 0.203 45.303 45.100 0.001 0.000 0.904 115 G HN 0.713 nan 8.290 nan 0.000 0.577 116 E N -0.674 119.415 120.200 -0.185 0.000 2.208 116 E HA 0.060 4.410 4.350 0.000 0.000 0.193 116 E C 0.333 176.630 176.600 -0.506 0.000 0.988 116 E CA 0.636 56.772 56.400 -0.441 0.000 0.828 116 E CB -0.034 29.192 29.700 -0.790 0.000 0.763 116 E HN 0.284 nan 8.360 nan 0.000 0.478 117 F N 1.077 121.081 119.950 0.090 0.000 2.318 117 F HA 0.175 4.702 4.527 0.000 0.000 0.356 117 F C 0.139 176.022 175.800 0.138 0.000 1.109 117 F CA -0.969 57.094 58.000 0.104 0.000 1.234 117 F CB 0.039 39.072 39.000 0.056 0.000 1.545 117 F HN 0.053 nan 8.300 nan 0.000 0.534 118 W N 3.085 124.457 121.300 0.120 0.000 2.231 118 W HA 0.311 4.971 4.660 0.000 0.000 0.341 118 W C -0.610 175.959 176.519 0.083 0.000 1.298 118 W CA 0.710 58.106 57.345 0.085 0.000 1.266 118 W CB 1.100 30.590 29.460 0.052 0.000 1.172 118 W HN 0.403 nan 8.180 nan 0.000 0.568 119 S N 6.314 121.593 115.700 -0.702 0.000 2.548 119 S HA 0.426 4.896 4.470 0.000 0.000 0.278 119 S C -1.582 172.550 174.600 -0.781 0.000 1.150 119 S CA -0.825 57.080 58.200 -0.492 0.000 0.907 119 S CB 0.898 63.981 63.200 -0.194 0.000 1.108 119 S HN 0.507 nan 8.310 nan 0.000 0.459 120 L N 4.145 125.080 121.223 -0.480 0.000 2.316 120 L HA 0.598 4.938 4.340 0.000 0.000 0.280 120 L C -1.438 175.185 176.870 -0.413 0.000 1.006 120 L CA -0.372 54.207 54.840 -0.435 0.000 0.836 120 L CB 0.934 42.888 42.059 -0.175 0.000 1.221 120 L HN 0.653 nan 8.230 nan 0.000 0.418 121 D N 4.885 124.973 120.400 -0.521 0.000 2.375 121 D HA 0.346 4.986 4.640 0.000 0.000 0.247 121 D C -0.939 175.002 176.300 -0.599 0.000 1.061 121 D CA -0.058 53.689 54.000 -0.423 0.000 0.834 121 D CB 2.063 42.684 40.800 -0.298 0.000 1.247 121 D HN 0.173 nan 8.370 nan 0.000 0.489 122 F N 1.863 121.756 119.950 -0.096 0.000 2.405 122 F HA 0.293 4.820 4.527 0.000 0.000 0.355 122 F C 0.022 175.744 175.800 -0.130 0.000 1.121 122 F CA -0.705 57.231 58.000 -0.106 0.000 1.112 122 F CB 0.782 39.715 39.000 -0.111 0.000 1.126 122 F HN -0.032 nan 8.300 nan 0.000 0.481 123 L N 3.606 124.830 121.223 0.003 0.000 2.342 123 L HA 0.551 4.891 4.340 0.000 0.000 0.271 123 L C -0.221 176.638 176.870 -0.019 0.000 1.008 123 L CA -1.073 53.742 54.840 -0.041 0.000 0.818 123 L CB 1.823 43.819 42.059 -0.105 0.000 1.296 123 L HN 0.571 nan 8.230 nan 0.000 0.427 124 R N 2.003 122.491 120.500 -0.020 0.000 2.388 124 R HA 0.317 4.657 4.340 0.000 0.000 0.314 124 R C -0.359 175.926 176.300 -0.024 0.000 0.959 124 R CA -0.387 55.705 56.100 -0.013 0.000 0.851 124 R CB 0.273 30.577 30.300 0.008 0.000 1.168 124 R HN 0.786 nan 8.270 nan 0.000 0.472 125 N N 2.965 121.645 118.700 -0.034 0.000 2.699 125 N HA -0.251 4.489 4.740 0.000 0.000 0.256 125 N C 0.553 176.035 175.510 -0.046 0.000 0.993 125 N CA 0.720 53.746 53.050 -0.040 0.000 0.759 125 N CB -0.713 37.756 38.487 -0.029 0.000 0.906 125 N HN 1.080 nan 8.380 nan 0.000 0.541 126 G N -1.147 107.614 108.800 -0.064 0.000 2.166 126 G HA2 -0.356 3.604 3.960 0.000 0.000 0.260 126 G HA3 -0.356 3.604 3.960 0.000 0.000 0.260 126 G C -0.288 174.570 174.900 -0.069 0.000 0.986 126 G CA 0.575 45.627 45.100 -0.080 0.000 0.683 126 G HN 0.569 nan 8.290 nan 0.000 0.527 127 E N -0.091 120.079 120.200 -0.050 0.000 2.158 127 E HA 0.320 4.670 4.350 0.000 0.000 0.271 127 E C 0.288 176.868 176.600 -0.034 0.000 0.911 127 E CA -0.893 55.485 56.400 -0.037 0.000 0.767 127 E CB 1.516 31.205 29.700 -0.017 0.000 1.120 127 E HN 0.355 nan 8.360 nan 0.000 0.405 128 R N 3.498 123.976 120.500 -0.038 0.000 2.370 128 R HA 0.092 4.432 4.340 0.000 0.000 0.309 128 R C 1.174 177.468 176.300 -0.009 0.000 1.059 128 R CA 0.185 56.263 56.100 -0.036 0.000 0.981 128 R CB 0.155 30.428 30.300 -0.044 0.000 0.972 128 R HN 0.620 nan 8.270 nan 0.000 0.437 129 I N -0.306 120.253 120.570 -0.019 0.000 3.708 129 I HA 0.284 4.454 4.170 0.000 0.000 0.302 129 I C 0.597 176.663 176.117 -0.085 0.000 1.255 129 I CA -0.196 61.085 61.300 -0.030 0.000 1.362 129 I CB 0.806 38.772 38.000 -0.058 0.000 1.100 129 I HN 0.510 nan 8.210 nan 0.000 0.434 130 T N -0.972 113.539 114.554 -0.073 0.000 2.658 130 T HA 0.706 5.056 4.350 0.000 0.000 0.306 130 T C -0.977 173.819 174.700 0.159 0.000 1.544 130 T CA 0.010 62.123 62.100 0.020 0.000 0.991 130 T CB 1.245 70.058 68.868 -0.091 0.000 1.774 130 T HN 0.581 nan 8.240 nan 0.000 0.479 131 G N 0.361 109.293 108.800 0.220 0.000 2.321 131 G HA2 0.492 4.452 3.960 0.000 0.000 0.296 131 G HA3 0.492 4.452 3.960 0.000 0.000 0.296 131 G C -1.508 173.511 174.900 0.198 0.000 1.287 131 G CA 0.304 45.553 45.100 0.248 0.000 0.846 131 G HN 0.943 nan 8.290 nan 0.000 0.508 132 S N -0.481 115.303 115.700 0.139 0.000 2.552 132 S HA 0.581 5.051 4.470 0.000 0.000 0.314 132 S C -0.248 174.410 174.600 0.097 0.000 1.099 132 S CA -0.402 57.870 58.200 0.121 0.000 1.070 132 S CB 1.064 64.367 63.200 0.172 0.000 0.998 132 S HN 0.529 nan 8.310 nan 0.000 0.474 133 Q N 1.961 121.808 119.800 0.078 0.000 2.260 133 Q HA 0.380 4.720 4.340 0.000 0.000 0.242 133 Q C -0.101 175.979 176.000 0.133 0.000 0.932 133 Q CA -0.626 55.232 55.803 0.093 0.000 0.891 133 Q CB 1.511 30.276 28.738 0.045 0.000 1.222 133 Q HN 0.592 nan 8.270 nan 0.000 0.453 134 V N 3.054 123.096 119.914 0.212 0.000 2.720 134 V HA -0.156 3.964 4.120 0.000 0.000 0.307 134 V C 0.247 176.295 176.094 -0.076 0.000 1.071 134 V CA 1.258 63.658 62.300 0.165 0.000 1.199 134 V CB -0.307 31.647 31.823 0.219 0.000 0.900 134 V HN 0.871 nan 8.190 nan 0.000 0.494 135 K N 3.208 123.441 120.400 -0.278 0.000 3.512 135 K HA -0.153 4.167 4.320 0.000 0.000 0.309 135 K C 0.560 176.903 176.600 -0.429 0.000 1.350 135 K CA 1.148 57.021 56.287 -0.691 0.000 0.960 135 K CB -1.372 30.775 32.500 -0.589 0.000 1.290 135 K HN 0.843 nan 8.250 nan 0.000 0.454 136 N N 1.012 119.595 118.700 -0.195 0.000 2.203 136 N HA 0.040 4.780 4.740 0.000 0.000 0.207 136 N C -0.207 175.087 175.510 -0.360 0.000 1.130 136 N CA 0.237 53.239 53.050 -0.081 0.000 0.861 136 N CB 0.250 38.716 38.487 -0.034 0.000 1.005 136 N HN 0.553 nan 8.380 nan 0.000 0.507 137 N N -1.378 116.979 118.700 -0.571 0.000 2.697 137 N HA 0.681 5.421 4.740 0.000 0.000 0.272 137 N C -0.023 174.897 175.510 -0.983 0.000 1.381 137 N CA -0.735 51.663 53.050 -1.086 0.000 0.797 137 N CB 2.436 40.597 38.487 -0.543 0.000 1.523 137 N HN -0.094 nan 8.380 nan 0.000 0.518 138 G N -0.676 107.541 108.800 -0.972 0.000 2.247 138 G HA2 0.021 3.981 3.960 0.000 0.000 0.229 138 G HA3 0.021 3.981 3.960 0.000 0.000 0.229 138 G C -2.425 172.524 174.900 0.081 0.000 1.345 138 G CA -0.773 44.036 45.100 -0.484 0.000 1.100 138 G HN 0.678 nan 8.290 nan 0.000 0.473 139 Y N 0.104 120.500 120.300 0.160 0.000 2.409 139 Y HA 0.680 5.230 4.550 0.000 0.000 0.343 139 Y C -0.359 175.603 175.900 0.103 0.000 0.973 139 Y CA -0.953 57.238 58.100 0.152 0.000 1.064 139 Y CB 2.314 40.784 38.460 0.017 0.000 1.207 139 Y HN 0.542 nan 8.280 nan 0.000 0.452 140 V N 6.542 126.279 119.914 -0.295 0.000 2.378 140 V HA 0.304 4.424 4.120 0.000 0.000 0.288 140 V C -0.676 175.146 176.094 -0.453 0.000 1.016 140 V CA -0.818 61.322 62.300 -0.267 0.000 0.840 140 V CB 1.354 33.098 31.823 -0.132 0.000 0.994 140 V HN 0.760 nan 8.190 nan 0.000 0.431 141 Q N 3.302 122.887 119.800 -0.358 0.000 2.360 141 Q HA 0.250 4.590 4.340 0.000 0.000 0.254 141 Q C -0.715 175.220 176.000 -0.109 0.000 0.975 141 Q CA -0.489 55.161 55.803 -0.255 0.000 0.912 141 Q CB 1.013 29.654 28.738 -0.162 0.000 1.212 141 Q HN 0.764 nan 8.270 nan 0.000 0.452 142 D N 3.284 123.657 120.400 -0.045 0.000 2.411 142 D HA 0.025 4.665 4.640 0.000 0.000 0.225 142 D C 0.787 177.082 176.300 -0.009 0.000 1.156 142 D CA -0.088 53.912 54.000 -0.000 0.000 0.874 142 D CB 1.181 42.047 40.800 0.110 0.000 1.034 142 D HN 0.702 nan 8.370 nan 0.000 0.502 143 T N 0.733 115.275 114.554 -0.019 0.000 3.160 143 T HA -0.028 4.322 4.350 0.000 0.000 0.257 143 T C 1.179 175.876 174.700 -0.006 0.000 1.147 143 T CA 0.207 62.301 62.100 -0.010 0.000 1.064 143 T CB 0.074 68.937 68.868 -0.010 0.000 0.949 143 T HN 0.191 nan 8.240 nan 0.000 0.526 144 N N 3.100 121.796 118.700 -0.008 0.000 2.207 144 N HA -0.048 4.692 4.740 0.000 0.000 0.182 144 N C 1.260 176.770 175.510 0.000 0.000 1.020 144 N CA 1.461 54.507 53.050 -0.006 0.000 0.858 144 N CB -0.229 38.249 38.487 -0.014 0.000 0.991 144 N HN 0.736 nan 8.380 nan 0.000 0.427 145 N N -0.217 118.487 118.700 0.007 0.000 2.197 145 N HA 0.058 4.798 4.740 0.000 0.000 0.228 145 N C -0.399 175.114 175.510 0.004 0.000 1.212 145 N CA 0.005 53.061 53.050 0.010 0.000 0.883 145 N CB 0.376 38.875 38.487 0.020 0.000 1.107 145 N HN -0.255 nan 8.380 nan 0.000 0.519 146 Q N -0.397 119.403 119.800 0.000 0.000 2.480 146 Q HA -0.218 4.122 4.340 0.000 0.000 0.265 146 Q C -0.903 175.075 176.000 -0.036 0.000 1.072 146 Q CA 0.958 56.755 55.803 -0.008 0.000 1.018 146 Q CB -1.783 26.956 28.738 0.001 0.000 1.433 146 Q HN 0.590 nan 8.270 nan 0.000 0.513 147 R N 0.446 120.913 120.500 -0.055 0.000 2.598 147 R HA 0.607 4.947 4.340 0.000 0.000 0.279 147 R C -0.160 175.957 176.300 -0.306 0.000 0.984 147 R CA -0.836 55.150 56.100 -0.190 0.000 0.999 147 R CB 1.054 31.211 30.300 -0.239 0.000 1.114 147 R HN 0.064 nan 8.270 nan 0.000 0.493 148 N N 1.485 119.891 118.700 -0.489 0.000 2.269 148 N HA 0.355 5.095 4.740 0.000 0.000 0.304 148 N C -1.371 173.718 175.510 -0.703 0.000 1.072 148 N CA -0.461 52.285 53.050 -0.507 0.000 0.802 148 N CB 1.960 40.258 38.487 -0.315 0.000 1.348 148 N HN 0.403 nan 8.380 nan 0.000 0.484 149 Y N 0.115 120.237 120.300 -0.298 0.000 2.545 149 Y HA 0.510 5.060 4.550 0.000 0.000 0.348 149 Y C 0.213 176.079 175.900 -0.056 0.000 1.002 149 Y CA -1.036 56.975 58.100 -0.150 0.000 1.039 149 Y CB 1.764 40.136 38.460 -0.146 0.000 1.271 149 Y HN 0.144 nan 8.280 nan 0.000 0.467 150 M N 3.172 122.887 119.600 0.191 0.000 2.508 150 M HA 0.498 4.978 4.480 0.000 0.000 0.327 150 M C -1.043 175.400 176.300 0.239 0.000 1.160 150 M CA -0.688 54.754 55.300 0.237 0.000 0.980 150 M CB 1.608 34.312 32.600 0.175 0.000 1.693 150 M HN 0.734 nan 8.290 nan 0.000 0.452 151 F N 0.027 119.961 119.950 -0.027 0.000 2.662 151 F HA 0.871 5.398 4.527 0.000 0.000 0.312 151 F C -1.226 174.450 175.800 -0.207 0.000 1.113 151 F CA -0.985 56.931 58.000 -0.140 0.000 0.951 151 F CB 1.549 40.452 39.000 -0.162 0.000 1.344 151 F HN 0.537 nan 8.300 nan 0.000 0.462 152 E N 0.814 120.718 120.200 -0.493 0.000 2.383 152 E HA 0.587 4.937 4.350 0.000 0.000 0.275 152 E C -1.798 174.431 176.600 -0.619 0.000 0.918 152 E CA -0.774 55.214 56.400 -0.687 0.000 0.764 152 E CB 2.067 31.252 29.700 -0.858 0.000 1.252 152 E HN 0.732 nan 8.360 nan 0.000 0.449 153 R N 3.232 123.520 120.500 -0.353 0.000 2.473 153 R HA 0.473 4.813 4.340 0.000 0.000 0.303 153 R C -0.678 175.574 176.300 -0.080 0.000 1.002 153 R CA -0.621 55.366 56.100 -0.188 0.000 0.884 153 R CB 0.986 31.259 30.300 -0.044 0.000 1.173 153 R HN 0.379 nan 8.270 nan 0.000 0.464 154 L N 3.000 124.222 121.223 -0.001 0.000 2.275 154 L HA 0.305 4.645 4.340 0.000 0.000 0.288 154 L C -0.013 176.943 176.870 0.143 0.000 1.046 154 L CA -0.908 54.014 54.840 0.137 0.000 0.805 154 L CB 1.079 43.292 42.059 0.257 0.000 1.193 154 L HN 0.402 nan 8.230 nan 0.000 0.426 155 D N 3.336 123.813 120.400 0.129 0.000 2.423 155 D HA 0.314 4.955 4.640 0.000 0.000 0.238 155 D C -0.220 176.164 176.300 0.139 0.000 1.142 155 D CA 0.360 54.421 54.000 0.102 0.000 0.884 155 D CB 1.079 41.926 40.800 0.079 0.000 1.199 155 D HN 0.233 nan 8.370 nan 0.000 0.438 156 L N 1.021 122.301 121.223 0.095 0.000 2.346 156 L HA 0.503 4.843 4.340 0.000 0.000 0.276 156 L C 1.091 178.003 176.870 0.070 0.000 1.006 156 L CA -0.850 54.049 54.840 0.098 0.000 0.817 156 L CB 2.006 44.093 42.059 0.046 0.000 1.272 156 L HN 0.330 nan 8.230 nan 0.000 0.421 157 G N 1.504 110.352 108.800 0.080 0.000 2.580 157 G HA2 0.394 4.354 3.960 0.000 0.000 0.278 157 G HA3 0.394 4.354 3.960 0.000 0.000 0.278 157 G C -0.247 174.676 174.900 0.039 0.000 1.212 157 G CA -0.547 44.587 45.100 0.057 0.000 0.939 157 G HN 0.300 nan 8.290 nan 0.000 0.513 158 V N 0.957 120.889 119.914 0.031 0.000 2.493 158 V HA 0.364 4.484 4.120 0.000 0.000 0.292 158 V C 1.620 177.731 176.094 0.029 0.000 1.016 158 V CA 1.770 64.085 62.300 0.024 0.000 1.097 158 V CB 0.293 32.128 31.823 0.020 0.000 0.947 158 V HN 1.773 nan 8.190 nan 0.000 0.479 159 G N 3.681 112.499 108.800 0.030 0.000 2.162 159 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 159 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 159 G C 0.186 175.098 174.900 0.021 0.000 0.976 159 G CA 0.430 45.552 45.100 0.036 0.000 0.655 159 G HN 0.806 nan 8.290 nan 0.000 0.533 160 E N 1.209 121.420 120.200 0.018 0.000 2.289 160 E HA 0.548 4.898 4.350 0.000 0.000 0.278 160 E C 0.557 177.134 176.600 -0.038 0.000 1.032 160 E CA 0.245 56.651 56.400 0.011 0.000 0.854 160 E CB 0.511 30.238 29.700 0.046 0.000 1.046 160 E HN 0.394 nan 8.360 nan 0.000 0.409 161 T N 0.197 114.708 114.554 -0.070 0.000 2.907 161 T HA 0.578 4.928 4.350 0.000 0.000 0.292 161 T C -0.548 174.001 174.700 -0.253 0.000 1.043 161 T CA -0.899 61.073 62.100 -0.213 0.000 1.003 161 T CB 1.558 70.226 68.868 -0.333 0.000 1.084 161 T HN 0.166 nan 8.240 nan 0.000 0.483 162 V N 2.229 121.860 119.914 -0.473 0.000 2.555 162 V HA 0.638 4.758 4.120 0.000 0.000 0.302 162 V C -1.328 174.347 176.094 -0.698 0.000 1.038 162 V CA -0.832 61.229 62.300 -0.399 0.000 0.887 162 V CB 1.103 32.722 31.823 -0.340 0.000 0.991 162 V HN 0.950 nan 8.190 nan 0.000 0.434 163 Y N 1.434 121.616 120.300 -0.196 0.000 2.581 163 Y HA 0.862 5.412 4.550 0.000 0.000 0.345 163 Y C 0.757 176.526 175.900 -0.219 0.000 1.036 163 Y CA 0.334 58.315 58.100 -0.199 0.000 1.042 163 Y CB 2.369 40.719 38.460 -0.184 0.000 1.289 163 Y HN 0.992 nan 8.280 nan 0.000 0.471 164 G N 0.189 108.956 108.800 -0.056 0.000 2.501 164 G HA2 -0.155 3.805 3.960 0.000 0.000 0.213 164 G HA3 -0.155 3.805 3.960 0.000 0.000 0.213 164 G C -0.204 174.600 174.900 -0.159 0.000 1.158 164 G CA -0.325 44.717 45.100 -0.097 0.000 1.079 164 G HN 1.147 nan 8.290 nan 0.000 0.586 165 L N -0.046 121.080 121.223 -0.161 0.000 4.291 165 L HA 0.022 4.362 4.340 0.000 0.000 0.413 165 L C 1.410 178.212 176.870 -0.114 0.000 1.162 165 L CA 1.563 56.290 54.840 -0.188 0.000 0.961 165 L CB -1.738 40.119 42.059 -0.336 0.000 2.095 165 L HN 2.868 nan 8.230 nan 0.000 0.838 166 G N -0.184 108.557 108.800 -0.098 0.000 2.409 166 G HA2 -0.129 3.831 3.960 0.000 0.000 0.421 166 G HA3 -0.129 3.831 3.960 0.000 0.000 0.421 166 G C -0.640 174.109 174.900 -0.251 0.000 1.259 166 G CA 0.001 45.020 45.100 -0.136 0.000 1.011 166 G HN 0.298 nan 8.290 nan 0.000 0.497 167 E N 0.879 120.886 120.200 -0.322 0.000 2.052 167 E HA 0.501 4.851 4.350 0.000 0.000 0.283 167 E C 0.399 176.635 176.600 -0.607 0.000 1.071 167 E CA -0.275 55.855 56.400 -0.450 0.000 0.851 167 E CB 0.126 29.615 29.700 -0.351 0.000 1.066 167 E HN 0.514 nan 8.360 nan 0.000 0.396 168 R N 3.467 123.534 120.500 -0.722 0.000 2.808 168 R HA 0.367 4.707 4.340 0.000 0.000 0.272 168 R C -0.444 175.364 176.300 -0.820 0.000 0.995 168 R CA -0.749 54.930 56.100 -0.701 0.000 0.917 168 R CB 0.792 30.908 30.300 -0.308 0.000 1.217 168 R HN 0.452 nan 8.270 nan 0.000 0.471 169 F N -0.232 119.689 119.950 -0.049 0.000 2.706 169 F HA 0.085 4.612 4.527 0.000 0.000 0.313 169 F C 1.198 176.981 175.800 -0.029 0.000 1.096 169 F CA -0.392 57.590 58.000 -0.031 0.000 1.219 169 F CB 0.475 39.474 39.000 -0.001 0.000 1.051 169 F HN 0.491 nan 8.300 nan 0.000 0.568 170 T N -0.648 113.936 114.554 0.050 0.000 2.698 170 T HA 0.550 4.900 4.350 0.000 0.000 0.295 170 T C 0.781 175.472 174.700 -0.016 0.000 1.007 170 T CA -0.525 61.586 62.100 0.018 0.000 0.980 170 T CB 0.709 69.570 68.868 -0.013 0.000 1.036 170 T HN 0.211 nan 8.240 nan 0.000 0.526 171 A N 0.467 123.274 122.820 -0.021 0.000 2.587 171 A HA 0.209 4.529 4.320 0.000 0.000 0.233 171 A C 1.351 178.899 177.584 -0.060 0.000 1.049 171 A CA -0.340 51.680 52.037 -0.029 0.000 0.754 171 A CB -0.567 18.419 19.000 -0.024 0.000 0.977 171 A HN 0.993 nan 8.150 nan 0.000 0.509 172 L N 3.850 125.045 121.223 -0.047 0.000 2.017 172 L HA -0.024 4.316 4.340 0.000 0.000 0.208 172 L C 0.950 177.723 176.870 -0.161 0.000 1.073 172 L CA 1.662 56.462 54.840 -0.068 0.000 0.745 172 L CB -0.238 41.821 42.059 0.000 0.000 0.894 172 L HN 0.471 nan 8.230 nan 0.000 0.432 173 V N 0.770 120.569 119.914 -0.191 0.000 2.488 173 V HA 0.086 4.207 4.120 0.000 0.000 0.277 173 V C 1.320 177.253 176.094 -0.269 0.000 1.046 173 V CA -0.032 62.020 62.300 -0.413 0.000 0.986 173 V CB 1.068 32.675 31.823 -0.359 0.000 0.989 173 V HN 0.296 nan 8.190 nan 0.000 0.475 174 R N 2.596 122.888 120.500 -0.346 0.000 2.276 174 R HA 0.109 4.449 4.340 0.000 0.000 0.196 174 R C 0.394 176.580 176.300 -0.190 0.000 0.961 174 R CA 0.010 55.960 56.100 -0.250 0.000 1.024 174 R CB -0.114 30.008 30.300 -0.296 0.000 0.940 174 R HN 0.737 nan 8.270 nan 0.000 0.480 175 N N 0.177 118.768 118.700 -0.183 0.000 2.411 175 N HA 0.128 4.868 4.740 0.000 0.000 0.261 175 N C 0.792 176.253 175.510 -0.081 0.000 1.248 175 N CA 1.410 54.387 53.050 -0.122 0.000 0.885 175 N CB 0.882 39.315 38.487 -0.090 0.000 1.062 175 N HN 0.291 nan 8.380 nan 0.000 0.471 176 G N 0.965 109.722 108.800 -0.072 0.000 2.195 176 G HA2 -0.248 3.712 3.960 0.000 0.000 0.224 176 G HA3 -0.248 3.712 3.960 0.000 0.000 0.224 176 G C -0.171 174.697 174.900 -0.052 0.000 0.990 176 G CA -0.371 44.696 45.100 -0.055 0.000 0.639 176 G HN 0.566 nan 8.290 nan 0.000 0.514 177 Q N 0.879 120.641 119.800 -0.063 0.000 2.230 177 Q HA 0.555 4.895 4.340 0.000 0.000 0.253 177 Q C 0.143 176.124 176.000 -0.032 0.000 0.919 177 Q CA 0.132 55.904 55.803 -0.051 0.000 0.908 177 Q CB 1.800 30.497 28.738 -0.068 0.000 1.245 177 Q HN 0.313 nan 8.270 nan 0.000 0.437 178 T N -0.199 114.348 114.554 -0.012 0.000 2.806 178 T HA 0.481 4.831 4.350 0.000 0.000 0.290 178 T C -0.634 174.088 174.700 0.036 0.000 0.966 178 T CA -0.650 61.461 62.100 0.018 0.000 1.060 178 T CB 0.938 69.812 68.868 0.009 0.000 0.927 178 T HN 0.410 nan 8.240 nan 0.000 0.485 179 V N 3.600 123.567 119.914 0.090 0.000 2.588 179 V HA 0.703 4.823 4.120 0.000 0.000 0.304 179 V C -1.189 175.040 176.094 0.225 0.000 1.042 179 V CA -0.713 61.653 62.300 0.110 0.000 0.877 179 V CB 2.047 33.880 31.823 0.016 0.000 0.996 179 V HN 0.947 nan 8.190 nan 0.000 0.425 180 E N 3.884 124.199 120.200 0.192 0.000 2.129 180 E HA 0.307 4.657 4.350 0.000 0.000 0.268 180 E C -0.097 176.685 176.600 0.303 0.000 0.900 180 E CA -0.309 56.226 56.400 0.226 0.000 0.755 180 E CB 1.688 31.474 29.700 0.144 0.000 1.117 180 E HN 0.931 nan 8.360 nan 0.000 0.410 181 T N 0.955 115.738 114.554 0.382 0.000 3.185 181 T HA 0.258 4.608 4.350 0.000 0.000 0.287 181 T C -0.219 174.791 174.700 0.516 0.000 1.051 181 T CA -0.690 61.651 62.100 0.401 0.000 1.051 181 T CB -0.195 68.933 68.868 0.433 0.000 1.034 181 T HN 0.425 nan 8.240 nan 0.000 0.685 182 W N 4.072 125.500 121.300 0.214 0.000 3.089 182 W HA 0.278 4.938 4.660 0.000 0.000 0.333 182 W C -1.401 175.299 176.519 0.302 0.000 1.053 182 W CA -0.953 56.538 57.345 0.244 0.000 1.257 182 W CB 1.331 30.863 29.460 0.121 0.000 1.281 182 W HN 0.380 nan 8.180 nan 0.000 0.427 183 N N 4.887 123.662 118.700 0.124 0.000 2.458 183 N HA 0.189 4.929 4.740 0.000 0.000 0.258 183 N C -0.256 175.370 175.510 0.194 0.000 1.219 183 N CA 0.629 53.752 53.050 0.123 0.000 0.902 183 N CB 0.674 39.159 38.487 -0.003 0.000 1.076 183 N HN 0.362 nan 8.380 nan 0.000 0.455 184 R N 0.280 120.900 120.500 0.199 0.000 2.739 184 R HA 0.229 4.569 4.340 0.000 0.000 0.271 184 R C -1.338 175.052 176.300 0.150 0.000 1.010 184 R CA -0.815 55.415 56.100 0.217 0.000 0.897 184 R CB 1.555 31.992 30.300 0.228 0.000 1.236 184 R HN 0.382 nan 8.270 nan 0.000 0.466 185 D N 0.771 121.290 120.400 0.198 0.000 2.499 185 D HA 0.250 4.890 4.640 0.000 0.000 0.225 185 D C 0.150 176.494 176.300 0.072 0.000 1.124 185 D CA -0.014 54.091 54.000 0.175 0.000 0.938 185 D CB 0.821 41.786 40.800 0.275 0.000 1.014 185 D HN 0.747 nan 8.370 nan 0.000 0.517 186 G N 1.629 110.354 108.800 -0.126 0.000 3.596 186 G HA2 0.502 4.462 3.960 0.000 0.000 0.274 186 G HA3 0.502 4.462 3.960 0.000 0.000 0.274 186 G C 0.803 175.643 174.900 -0.099 0.000 1.007 186 G CA 0.154 45.222 45.100 -0.054 0.000 0.825 186 G HN 0.820 nan 8.290 nan 0.000 0.508 187 G N 0.267 108.971 108.800 -0.159 0.000 2.642 187 G HA2 -0.014 3.946 3.960 0.000 0.000 0.231 187 G HA3 -0.014 3.946 3.960 0.000 0.000 0.231 187 G C 0.701 175.395 174.900 -0.342 0.000 1.338 187 G CA 0.743 45.774 45.100 -0.114 0.000 0.883 187 G HN 1.231 nan 8.290 nan 0.000 0.570 188 T N -3.536 110.763 114.554 -0.425 0.000 3.200 188 T HA 0.563 4.913 4.350 0.000 0.000 0.284 188 T C 1.334 175.591 174.700 -0.738 0.000 1.009 188 T CA 1.100 62.526 62.100 -1.123 0.000 0.907 188 T CB 0.085 68.429 68.868 -0.873 0.000 1.120 188 T HN 1.852 nan 8.240 nan 0.000 0.534 189 S N 0.210 115.766 115.700 -0.240 0.000 2.701 189 S HA 0.330 4.800 4.470 0.000 0.000 0.242 189 S C 0.727 175.358 174.600 0.052 0.000 1.025 189 S CA 0.073 58.263 58.200 -0.017 0.000 1.016 189 S CB 0.186 63.449 63.200 0.106 0.000 0.977 189 S HN 0.710 nan 8.310 nan 0.000 0.546 190 T N -0.704 113.890 114.554 0.067 0.000 2.724 190 T HA 0.476 4.826 4.350 0.000 0.000 0.274 190 T C 0.638 175.417 174.700 0.133 0.000 0.984 190 T CA -0.139 62.015 62.100 0.091 0.000 1.024 190 T CB 1.321 70.231 68.868 0.069 0.000 1.320 190 T HN 0.034 nan 8.240 nan 0.000 0.555 191 E N 0.052 120.310 120.200 0.097 0.000 2.435 191 E HA 0.004 4.354 4.350 0.000 0.000 0.195 191 E C 0.216 176.871 176.600 0.091 0.000 1.029 191 E CA 0.194 56.645 56.400 0.084 0.000 0.865 191 E CB -0.112 29.624 29.700 0.060 0.000 0.833 191 E HN 0.722 nan 8.360 nan 0.000 0.510 192 Q N 0.531 120.390 119.800 0.098 0.000 2.417 192 Q HA 0.518 4.858 4.340 0.000 0.000 0.241 192 Q C -0.553 175.492 176.000 0.075 0.000 1.008 192 Q CA 0.024 55.878 55.803 0.084 0.000 0.901 192 Q CB 1.302 30.078 28.738 0.064 0.000 1.259 192 Q HN 0.260 nan 8.270 nan 0.000 0.489 193 A N 0.819 123.661 122.820 0.038 0.000 2.486 193 A HA 0.441 4.761 4.320 0.000 0.000 0.300 193 A C -1.063 176.533 177.584 0.020 0.000 1.048 193 A CA -0.697 51.349 52.037 0.016 0.000 0.696 193 A CB 0.511 19.512 19.000 0.002 0.000 1.278 193 A HN 0.789 nan 8.150 nan 0.000 0.405 194 Y N 0.840 121.228 120.300 0.146 0.000 2.395 194 Y HA 0.105 4.655 4.550 0.000 0.000 0.293 194 Y C 0.826 176.769 175.900 0.071 0.000 1.123 194 Y CA 1.067 59.231 58.100 0.107 0.000 1.227 194 Y CB 0.180 38.698 38.460 0.096 0.000 1.012 194 Y HN 0.497 nan 8.280 nan 0.000 0.552 195 K N 1.700 122.213 120.400 0.189 0.000 2.562 195 K HA 0.215 4.535 4.320 0.000 0.000 0.206 195 K C -1.009 175.591 176.600 -0.000 0.000 1.033 195 K CA -0.239 56.074 56.287 0.042 0.000 1.029 195 K CB 0.416 32.844 32.500 -0.119 0.000 1.393 195 K HN 0.144 nan 8.250 nan 0.000 0.539 196 N N 3.328 122.079 118.700 0.085 0.000 2.479 196 N HA 0.380 5.120 4.740 0.000 0.000 0.285 196 N C -0.589 175.007 175.510 0.144 0.000 1.075 196 N CA -0.217 52.900 53.050 0.111 0.000 0.967 196 N CB 1.506 40.110 38.487 0.195 0.000 1.137 196 N HN 0.256 nan 8.380 nan 0.000 0.472 197 I N 2.794 123.441 120.570 0.127 0.000 2.512 197 I HA 0.223 4.393 4.170 0.000 0.000 0.287 197 I C -2.240 173.982 176.117 0.175 0.000 1.069 197 I CA -1.973 59.426 61.300 0.166 0.000 1.056 197 I CB 2.117 40.215 38.000 0.163 0.000 1.229 197 I HN 0.234 nan 8.210 nan 0.000 0.429 198 P HA 0.140 nan 4.420 nan 0.000 0.226 198 P C -0.604 176.883 177.300 0.312 0.000 1.758 198 P CA 0.151 63.484 63.100 0.387 0.000 0.896 198 P CB -0.539 31.500 31.700 0.565 0.000 1.784 199 F N 2.673 122.602 119.950 -0.036 0.000 2.529 199 F HA 0.533 5.060 4.527 0.000 0.000 0.320 199 F C -1.196 174.494 175.800 -0.183 0.000 1.118 199 F CA -1.415 56.490 58.000 -0.158 0.000 0.915 199 F CB 1.476 40.237 39.000 -0.398 0.000 1.161 199 F HN -0.039 nan 8.300 nan 0.000 0.445 200 Y N 5.340 124.976 120.300 -1.106 0.000 2.570 200 Y HA 0.832 5.382 4.550 0.000 0.000 0.345 200 Y C -1.192 173.992 175.900 -1.194 0.000 1.014 200 Y CA -1.688 55.823 58.100 -0.982 0.000 1.063 200 Y CB 1.628 39.746 38.460 -0.570 0.000 1.272 200 Y HN 0.759 nan 8.280 nan 0.000 0.477 201 M N 1.494 120.741 119.600 -0.589 0.000 2.631 201 M HA 0.826 5.306 4.480 0.000 0.000 0.288 201 M C -1.168 175.042 176.300 -0.149 0.000 1.260 201 M CA -0.735 54.287 55.300 -0.464 0.000 0.842 201 M CB 2.536 34.935 32.600 -0.336 0.000 1.743 201 M HN 0.865 nan 8.290 nan 0.000 0.461 202 T N -2.366 112.015 114.554 -0.289 0.000 2.907 202 T HA 0.409 4.759 4.350 0.000 0.000 0.290 202 T C 0.383 175.010 174.700 -0.122 0.000 1.066 202 T CA -0.621 61.394 62.100 -0.141 0.000 1.012 202 T CB 1.223 69.921 68.868 -0.285 0.000 1.184 202 T HN 0.849 nan 8.240 nan 0.000 0.522 203 N N 0.058 118.762 118.700 0.006 0.000 2.501 203 N HA -0.034 4.706 4.740 0.000 0.000 0.195 203 N C 1.008 176.500 175.510 -0.030 0.000 1.213 203 N CA -0.026 53.008 53.050 -0.027 0.000 0.864 203 N CB -0.353 38.151 38.487 0.028 0.000 0.999 203 N HN 0.699 nan 8.380 nan 0.000 0.454 204 R N -0.033 120.438 120.500 -0.047 0.000 2.359 204 R HA 0.152 4.492 4.340 0.000 0.000 0.231 204 R C 0.299 176.637 176.300 0.064 0.000 0.913 204 R CA 0.515 56.644 56.100 0.049 0.000 1.075 204 R CB -0.215 30.198 30.300 0.188 0.000 1.087 204 R HN 0.302 nan 8.270 nan 0.000 0.515 205 G N 0.853 109.622 108.800 -0.052 0.000 2.182 205 G HA2 -0.305 3.655 3.960 0.000 0.000 0.248 205 G HA3 -0.305 3.655 3.960 0.000 0.000 0.248 205 G C -0.520 174.424 174.900 0.073 0.000 1.042 205 G CA 0.678 45.773 45.100 -0.007 0.000 0.775 205 G HN 0.504 nan 8.290 nan 0.000 0.501 206 Y N -2.311 117.978 120.300 -0.019 0.000 2.644 206 Y HA 0.842 5.392 4.550 0.000 0.000 0.338 206 Y C 0.327 176.174 175.900 -0.087 0.000 1.119 206 Y CA -1.352 56.728 58.100 -0.034 0.000 1.060 206 Y CB 0.934 39.373 38.460 -0.035 0.000 1.294 206 Y HN 0.692 nan 8.280 nan 0.000 0.472 207 G N -0.049 108.774 108.800 0.038 0.000 2.642 207 G HA2 0.590 4.550 3.960 0.000 0.000 0.293 207 G HA3 0.590 4.550 3.960 0.000 0.000 0.293 207 G C -2.014 172.797 174.900 -0.149 0.000 1.341 207 G CA -0.807 44.161 45.100 -0.219 0.000 0.916 207 G HN 1.395 nan 8.290 nan 0.000 0.474 208 V N 0.651 120.211 119.914 -0.589 0.000 2.638 208 V HA 0.776 4.896 4.120 0.000 0.000 0.306 208 V C -1.505 174.542 176.094 -0.078 0.000 1.052 208 V CA -0.983 61.140 62.300 -0.295 0.000 0.885 208 V CB 1.499 33.116 31.823 -0.343 0.000 0.999 208 V HN 0.841 nan 8.190 nan 0.000 0.424 209 L N 7.442 128.875 121.223 0.350 0.000 2.265 209 L HA 0.673 5.013 4.340 0.000 0.000 0.289 209 L C -0.470 176.662 176.870 0.437 0.000 1.033 209 L CA 0.063 55.196 54.840 0.488 0.000 0.814 209 L CB 1.569 44.013 42.059 0.642 0.000 1.203 209 L HN 0.614 nan 8.230 nan 0.000 0.423 210 V N 4.944 125.052 119.914 0.324 0.000 2.408 210 V HA 0.240 4.360 4.120 0.000 0.000 0.267 210 V C 0.425 176.796 176.094 0.463 0.000 1.047 210 V CA -0.506 61.966 62.300 0.285 0.000 0.937 210 V CB 0.849 32.679 31.823 0.012 0.000 0.999 210 V HN 0.806 nan 8.190 nan 0.000 0.472 211 N N 3.952 122.903 118.700 0.419 0.000 3.298 211 N HA 0.168 4.908 4.740 0.000 0.000 0.292 211 N C -0.658 174.766 175.510 -0.143 0.000 1.271 211 N CA -0.161 53.099 53.050 0.351 0.000 1.184 211 N CB -0.469 38.313 38.487 0.492 0.000 1.452 211 N HN 0.809 nan 8.380 nan 0.000 0.534 212 H N -0.183 119.023 119.070 0.228 0.000 3.108 212 H HA 0.267 4.823 4.556 0.000 0.000 0.329 212 H C -1.894 173.384 175.328 -0.083 0.000 0.978 212 H CA -1.362 54.709 56.048 0.038 0.000 1.413 212 H CB 1.979 31.793 29.762 0.087 0.000 1.670 212 H HN 0.223 nan 8.280 nan 0.000 0.512 213 P HA -0.115 nan 4.420 nan 0.000 0.223 213 P C -0.019 177.379 177.300 0.164 0.000 1.151 213 P CA 0.802 63.759 63.100 -0.238 0.000 0.787 213 P CB 0.414 31.873 31.700 -0.402 0.000 0.788 214 Q N -1.032 118.894 119.800 0.211 0.000 2.631 214 Q HA 0.093 4.433 4.340 0.000 0.000 0.210 214 Q C 0.249 176.497 176.000 0.412 0.000 1.094 214 Q CA -0.239 55.768 55.803 0.339 0.000 1.055 214 Q CB -0.489 28.390 28.738 0.235 0.000 1.261 214 Q HN 0.009 nan 8.270 nan 0.000 0.615 215 C N 1.062 120.636 119.300 0.457 0.000 2.633 215 C HA 0.258 4.718 4.460 0.000 0.000 0.415 215 C C -0.296 174.820 174.990 0.209 0.000 1.393 215 C CA -0.400 58.836 59.018 0.364 0.000 1.700 215 C CB -1.181 26.586 27.740 0.045 0.000 2.541 215 C HN 0.459 nan 8.230 nan 0.000 0.603 216 V N 6.979 127.038 119.914 0.243 0.000 2.398 216 V HA 0.389 4.509 4.120 0.000 0.000 0.286 216 V C 0.315 176.453 176.094 0.074 0.000 1.026 216 V CA -0.112 62.247 62.300 0.099 0.000 0.868 216 V CB 1.770 33.638 31.823 0.076 0.000 0.982 216 V HN 0.906 nan 8.190 nan 0.000 0.443 217 S N 5.061 120.735 115.700 -0.045 0.000 2.410 217 S HA 0.629 5.099 4.470 0.000 0.000 0.304 217 S C -0.851 173.700 174.600 -0.081 0.000 1.095 217 S CA -0.409 57.786 58.200 -0.008 0.000 1.089 217 S CB -0.233 62.936 63.200 -0.052 0.000 0.968 217 S HN 0.398 nan 8.310 nan 0.000 0.480 218 F N 3.187 123.181 119.950 0.074 0.000 2.420 218 F HA 0.422 4.949 4.527 0.000 0.000 0.342 218 F C 0.823 176.622 175.800 -0.003 0.000 1.113 218 F CA -0.634 57.407 58.000 0.068 0.000 1.059 218 F CB 1.292 40.309 39.000 0.029 0.000 1.128 218 F HN 0.394 nan 8.300 nan 0.000 0.475 219 E N 3.701 123.984 120.200 0.138 0.000 2.101 219 E HA 0.260 4.610 4.350 0.000 0.000 0.260 219 E C -1.005 175.611 176.600 0.027 0.000 0.897 219 E CA -0.378 56.048 56.400 0.043 0.000 0.744 219 E CB 1.948 31.636 29.700 -0.020 0.000 1.140 219 E HN 0.246 nan 8.360 nan 0.000 0.419 220 V N 1.783 121.692 119.914 -0.008 0.000 2.284 220 V HA 0.264 4.384 4.120 0.000 0.000 0.260 220 V C 1.302 177.344 176.094 -0.086 0.000 1.084 220 V CA 0.042 62.291 62.300 -0.085 0.000 0.894 220 V CB 0.461 32.186 31.823 -0.163 0.000 1.119 220 V HN 0.931 nan 8.190 nan 0.000 0.484 221 G N 4.563 113.320 108.800 -0.071 0.000 2.258 221 G HA2 -0.306 3.654 3.960 0.000 0.000 0.274 221 G HA3 -0.306 3.654 3.960 0.000 0.000 0.274 221 G C 0.822 175.689 174.900 -0.055 0.000 1.021 221 G CA 0.827 45.891 45.100 -0.061 0.000 0.798 221 G HN 1.036 nan 8.290 nan 0.000 0.507 222 S N -2.126 113.544 115.700 -0.050 0.000 2.512 222 S HA 0.378 4.848 4.470 0.000 0.000 0.216 222 S C 1.315 175.883 174.600 -0.054 0.000 1.006 222 S CA 0.854 59.025 58.200 -0.048 0.000 0.915 222 S CB 0.707 63.883 63.200 -0.040 0.000 0.824 222 S HN 0.645 nan 8.310 nan 0.000 0.497 223 E N 1.254 121.418 120.200 -0.060 0.000 2.329 223 E HA 0.217 4.567 4.350 0.000 0.000 0.189 223 E C -0.512 176.042 176.600 -0.076 0.000 0.997 223 E CA -0.078 56.277 56.400 -0.074 0.000 1.062 223 E CB 0.436 30.082 29.700 -0.090 0.000 1.260 223 E HN 0.017 nan 8.360 nan 0.000 0.490 224 K N 2.280 122.638 120.400 -0.071 0.000 2.262 224 K HA 0.114 4.434 4.320 0.000 0.000 0.282 224 K C 1.023 177.590 176.600 -0.055 0.000 1.066 224 K CA 0.057 56.303 56.287 -0.068 0.000 0.901 224 K CB 1.626 34.090 32.500 -0.061 0.000 1.089 224 K HN 0.269 nan 8.250 nan 0.000 0.476 225 V N 0.118 119.999 119.914 -0.056 0.000 2.759 225 V HA -0.084 4.036 4.120 0.000 0.000 0.256 225 V C 0.910 176.981 176.094 -0.038 0.000 1.080 225 V CA 1.162 63.434 62.300 -0.047 0.000 1.101 225 V CB -0.146 31.650 31.823 -0.045 0.000 0.698 225 V HN 0.482 nan 8.190 nan 0.000 0.477 226 S N 0.464 116.144 115.700 -0.033 0.000 2.562 226 S HA 0.438 4.908 4.470 0.000 0.000 0.246 226 S C 0.001 174.597 174.600 -0.006 0.000 1.056 226 S CA -0.513 57.676 58.200 -0.018 0.000 1.042 226 S CB -0.250 62.943 63.200 -0.012 0.000 0.822 226 S HN 0.731 nan 8.310 nan 0.000 0.465 227 K N 0.571 120.962 120.400 -0.015 0.000 2.508 227 K HA 0.510 4.830 4.320 0.000 0.000 0.260 227 K C -1.332 175.257 176.600 -0.018 0.000 0.949 227 K CA -0.848 55.438 56.287 -0.001 0.000 0.834 227 K CB 2.122 34.620 32.500 -0.003 0.000 1.365 227 K HN -0.119 nan 8.250 nan 0.000 0.437 228 V N 2.303 122.217 119.914 0.000 0.000 2.334 228 V HA 0.159 4.279 4.120 0.000 0.000 0.267 228 V C -0.044 176.085 176.094 0.058 0.000 1.040 228 V CA -0.532 61.765 62.300 -0.005 0.000 0.866 228 V CB 0.770 32.497 31.823 -0.160 0.000 1.019 228 V HN 0.665 nan 8.190 nan 0.000 0.468 229 Q N 5.240 125.055 119.800 0.026 0.000 2.256 229 Q HA 0.627 4.967 4.340 0.000 0.000 0.254 229 Q C -1.306 174.703 176.000 0.015 0.000 0.916 229 Q CA -0.504 55.258 55.803 -0.068 0.000 0.932 229 Q CB 1.220 29.926 28.738 -0.053 0.000 1.207 229 Q HN 0.727 nan 8.270 nan 0.000 0.426 230 F N 0.493 120.376 119.950 -0.112 0.000 2.588 230 F HA 0.762 5.289 4.527 0.000 0.000 0.310 230 F C -0.987 174.713 175.800 -0.167 0.000 1.082 230 F CA -0.952 56.846 58.000 -0.335 0.000 0.929 230 F CB 1.697 40.273 39.000 -0.706 0.000 1.254 230 F HN 0.450 nan 8.300 nan 0.000 0.455 231 S N 1.712 117.398 115.700 -0.023 0.000 2.541 231 S HA 0.856 5.326 4.470 0.000 0.000 0.271 231 S C -1.892 172.707 174.600 -0.002 0.000 1.133 231 S CA -0.776 57.430 58.200 0.009 0.000 0.876 231 S CB 1.688 64.853 63.200 -0.058 0.000 1.105 231 S HN 1.441 nan 8.310 nan 0.000 0.470 232 V N 1.007 120.936 119.914 0.025 0.000 2.971 232 V HA 0.576 4.696 4.120 0.000 0.000 0.309 232 V C -1.021 175.092 176.094 0.033 0.000 1.130 232 V CA -0.709 61.568 62.300 -0.038 0.000 0.964 232 V CB 1.943 33.562 31.823 -0.340 0.000 1.029 232 V HN 1.135 nan 8.190 nan 0.000 0.427 233 E N 3.780 123.972 120.200 -0.014 0.000 2.003 233 E HA 0.556 4.906 4.350 0.000 0.000 0.279 233 E C -0.606 175.882 176.600 -0.187 0.000 1.132 233 E CA 0.232 56.475 56.400 -0.263 0.000 0.888 233 E CB 0.472 29.985 29.700 -0.312 0.000 1.056 233 E HN 0.771 nan 8.360 nan 0.000 0.399 234 S N 3.105 118.710 115.700 -0.158 0.000 2.597 234 S HA 0.105 4.575 4.470 0.000 0.000 0.274 234 S C -0.154 174.480 174.600 0.057 0.000 1.132 234 S CA -0.695 57.451 58.200 -0.091 0.000 0.835 234 S CB 1.331 64.346 63.200 -0.309 0.000 1.092 234 S HN 0.519 nan 8.310 nan 0.000 0.457 235 E N 0.701 121.005 120.200 0.174 0.000 2.489 235 E HA 0.179 4.529 4.350 0.000 0.000 0.193 235 E C -0.332 176.468 176.600 0.334 0.000 1.057 235 E CA 0.532 57.101 56.400 0.282 0.000 0.866 235 E CB 0.103 29.970 29.700 0.278 0.000 0.916 235 E HN 0.598 nan 8.360 nan 0.000 0.500 236 Y N -1.810 118.608 120.300 0.198 0.000 2.588 236 Y HA 0.625 5.175 4.550 0.000 0.000 0.343 236 Y C -1.430 174.624 175.900 0.256 0.000 1.065 236 Y CA -1.746 56.479 58.100 0.209 0.000 1.038 236 Y CB 1.016 39.579 38.460 0.172 0.000 1.297 236 Y HN -0.206 nan 8.280 nan 0.000 0.467 237 L N 2.399 123.776 121.223 0.256 0.000 2.409 237 L HA 0.616 4.956 4.340 0.000 0.000 0.272 237 L C -1.394 175.778 176.870 0.503 0.000 0.980 237 L CA -0.486 54.544 54.840 0.317 0.000 0.826 237 L CB 2.113 44.326 42.059 0.258 0.000 1.268 237 L HN 0.903 nan 8.230 nan 0.000 0.407 238 E N 3.997 124.562 120.200 0.608 0.000 2.241 238 E HA 0.489 4.839 4.350 0.000 0.000 0.263 238 E C -1.973 174.765 176.600 0.230 0.000 0.882 238 E CA -0.610 55.950 56.400 0.266 0.000 0.769 238 E CB 1.289 31.128 29.700 0.233 0.000 1.185 238 E HN 0.579 nan 8.360 nan 0.000 0.415 239 Y N 1.628 121.887 120.300 -0.069 0.000 2.605 239 Y HA 0.735 5.285 4.550 0.000 0.000 0.343 239 Y C -1.621 174.028 175.900 -0.418 0.000 1.036 239 Y CA -1.507 56.542 58.100 -0.085 0.000 1.065 239 Y CB 1.089 39.618 38.460 0.115 0.000 1.288 239 Y HN 0.237 nan 8.280 nan 0.000 0.481 240 F N 1.378 121.462 119.950 0.222 0.000 2.499 240 F HA 0.575 5.102 4.527 0.000 0.000 0.333 240 F C -0.725 175.118 175.800 0.071 0.000 1.138 240 F CA -1.192 56.842 58.000 0.058 0.000 0.945 240 F CB 2.016 41.095 39.000 0.132 0.000 1.181 240 F HN 0.346 nan 8.300 nan 0.000 0.435 241 V N 5.237 125.204 119.914 0.088 0.000 2.461 241 V HA 0.347 4.467 4.120 0.000 0.000 0.275 241 V C 0.139 176.264 176.094 0.051 0.000 1.047 241 V CA -0.454 61.828 62.300 -0.030 0.000 0.955 241 V CB 1.203 32.783 31.823 -0.405 0.000 0.988 241 V HN 0.527 nan 8.190 nan 0.000 0.471 242 I N 3.670 124.302 120.570 0.104 0.000 2.411 242 I HA 0.337 4.507 4.170 0.000 0.000 0.284 242 I C -0.205 175.983 176.117 0.118 0.000 1.012 242 I CA -0.512 60.855 61.300 0.111 0.000 1.119 242 I CB 1.649 39.764 38.000 0.193 0.000 1.261 242 I HN 0.516 nan 8.210 nan 0.000 0.448 243 D N 4.150 124.593 120.400 0.072 0.000 2.357 243 D HA 0.299 4.939 4.640 0.000 0.000 0.242 243 D C 0.663 177.003 176.300 0.067 0.000 1.153 243 D CA 0.347 54.393 54.000 0.077 0.000 0.918 243 D CB 1.654 42.476 40.800 0.038 0.000 1.181 243 D HN 0.612 nan 8.370 nan 0.000 0.435 244 G N 0.797 109.637 108.800 0.067 0.000 2.606 244 G HA2 0.115 4.075 3.960 0.000 0.000 0.213 244 G HA3 0.115 4.075 3.960 0.000 0.000 0.213 244 G C -1.527 173.382 174.900 0.014 0.000 2.020 244 G CA -0.140 44.980 45.100 0.033 0.000 0.814 244 G HN 0.580 nan 8.290 nan 0.000 0.685 245 P HA 0.157 nan 4.420 nan 0.000 0.253 245 P C 0.158 177.463 177.300 0.008 0.000 1.260 245 P CA 0.697 63.813 63.100 0.025 0.000 0.800 245 P CB 0.061 31.774 31.700 0.020 0.000 1.162 246 T N -4.637 109.910 114.554 -0.011 0.000 2.940 246 T HA 0.448 4.798 4.350 0.000 0.000 0.288 246 T C -2.215 172.457 174.700 -0.046 0.000 1.033 246 T CA -2.348 59.731 62.100 -0.034 0.000 1.033 246 T CB 1.950 70.790 68.868 -0.046 0.000 1.079 246 T HN -0.362 nan 8.240 nan 0.000 0.496 247 P HA -0.083 nan 4.420 nan 0.000 0.216 247 P C 1.311 178.571 177.300 -0.067 0.000 1.153 247 P CA 1.284 64.330 63.100 -0.090 0.000 0.858 247 P CB 0.088 31.701 31.700 -0.144 0.000 0.789 248 K N -0.836 119.519 120.400 -0.074 0.000 2.148 248 K HA -0.029 4.291 4.320 0.000 0.000 0.204 248 K C 2.105 178.675 176.600 -0.051 0.000 1.050 248 K CA 1.298 57.544 56.287 -0.070 0.000 0.942 248 K CB -0.498 31.953 32.500 -0.082 0.000 0.724 248 K HN 0.055 nan 8.250 nan 0.000 0.446 249 A N 0.977 123.773 122.820 -0.040 0.000 1.898 249 A HA -0.096 4.224 4.320 0.000 0.000 0.216 249 A C 2.324 179.904 177.584 -0.007 0.000 1.181 249 A CA 1.140 53.161 52.037 -0.027 0.000 0.620 249 A CB -0.553 18.434 19.000 -0.021 0.000 0.819 249 A HN 0.048 nan 8.150 nan 0.000 0.442 250 V N 0.103 120.023 119.914 0.011 0.000 2.332 250 V HA -0.274 3.846 4.120 0.000 0.000 0.248 250 V C 2.523 178.654 176.094 0.062 0.000 1.055 250 V CA 2.061 64.395 62.300 0.057 0.000 1.038 250 V CB -0.753 31.117 31.823 0.078 0.000 0.651 250 V HN 0.561 nan 8.190 nan 0.000 0.450 251 L N -0.220 121.014 121.223 0.019 0.000 2.179 251 L HA -0.105 4.235 4.340 0.000 0.000 0.208 251 L C 2.387 179.240 176.870 -0.029 0.000 1.096 251 L CA 1.396 56.232 54.840 -0.007 0.000 0.779 251 L CB -0.549 41.484 42.059 -0.043 0.000 0.922 251 L HN 0.378 nan 8.230 nan 0.000 0.443 252 D N 0.582 120.957 120.400 -0.041 0.000 2.078 252 D HA -0.198 4.442 4.640 0.000 0.000 0.193 252 D C 2.288 178.555 176.300 -0.056 0.000 0.990 252 D CA 1.504 55.468 54.000 -0.060 0.000 0.827 252 D CB 0.080 40.847 40.800 -0.055 0.000 0.975 252 D HN 0.066 nan 8.370 nan 0.000 0.451 253 R N -1.007 119.475 120.500 -0.031 0.000 2.083 253 R HA -0.207 4.133 4.340 0.000 0.000 0.237 253 R C 2.490 178.779 176.300 -0.018 0.000 1.137 253 R CA 1.489 57.571 56.100 -0.030 0.000 0.951 253 R CB -0.787 29.503 30.300 -0.017 0.000 0.851 253 R HN 0.374 nan 8.270 nan 0.000 0.434 254 Y N 1.884 122.106 120.300 -0.129 0.000 2.165 254 Y HA -0.258 4.292 4.550 0.000 0.000 0.286 254 Y C 2.580 178.336 175.900 -0.240 0.000 1.155 254 Y CA 2.112 60.079 58.100 -0.221 0.000 1.164 254 Y CB -0.429 37.697 38.460 -0.557 0.000 0.978 254 Y HN 0.158 nan 8.280 nan 0.000 0.513 255 T N -1.730 112.638 114.554 -0.310 0.000 2.985 255 T HA -0.112 4.238 4.350 0.000 0.000 0.266 255 T C 2.029 176.554 174.700 -0.292 0.000 1.076 255 T CA 1.051 62.924 62.100 -0.379 0.000 1.135 255 T CB -0.453 68.259 68.868 -0.260 0.000 0.890 255 T HN 0.424 nan 8.240 nan 0.000 0.480 256 R N -0.537 119.853 120.500 -0.182 0.000 2.096 256 R HA -0.040 4.300 4.340 0.000 0.000 0.235 256 R C 2.139 178.380 176.300 -0.099 0.000 1.127 256 R CA 1.227 57.252 56.100 -0.125 0.000 0.968 256 R CB -0.496 29.757 30.300 -0.080 0.000 0.861 256 R HN 0.411 nan 8.270 nan 0.000 0.440 257 F N 1.120 120.870 119.950 -0.332 0.000 2.206 257 F HA -0.069 4.458 4.527 0.000 0.000 0.298 257 F C 1.999 177.539 175.800 -0.432 0.000 1.090 257 F CA 1.930 59.712 58.000 -0.363 0.000 1.323 257 F CB -0.288 38.479 39.000 -0.387 0.000 1.028 257 F HN 0.157 nan 8.300 nan 0.000 0.492 258 T N -2.864 111.287 114.554 -0.672 0.000 2.975 258 T HA 0.545 4.895 4.350 0.000 0.000 0.257 258 T C 0.720 175.066 174.700 -0.589 0.000 1.003 258 T CA 0.287 61.898 62.100 -0.815 0.000 0.932 258 T CB 0.205 68.390 68.868 -1.138 0.000 1.087 258 T HN 0.549 nan 8.240 nan 0.000 0.512 259 G N 1.408 109.911 108.800 -0.496 0.000 2.462 259 G HA2 0.262 4.222 3.960 0.000 0.000 0.424 259 G HA3 0.262 4.222 3.960 0.000 0.000 0.424 259 G C -1.423 173.240 174.900 -0.396 0.000 1.573 259 G CA -1.283 43.571 45.100 -0.410 0.000 0.913 259 G HN 0.294 nan 8.290 nan 0.000 0.672 260 R N 1.620 121.941 120.500 -0.298 0.000 2.357 260 R HA 0.431 4.771 4.340 0.000 0.000 0.296 260 R C -2.423 173.725 176.300 -0.254 0.000 1.052 260 R CA -1.990 53.965 56.100 -0.241 0.000 0.988 260 R CB 0.641 30.849 30.300 -0.153 0.000 1.025 260 R HN 0.308 nan 8.270 nan 0.000 0.469 261 P HA -0.053 nan 4.420 nan 0.000 0.261 261 P C -0.458 176.841 177.300 -0.001 0.000 1.183 261 P CA 0.406 63.444 63.100 -0.104 0.000 0.761 261 P CB 0.475 32.178 31.700 0.005 0.000 0.785 262 A N 3.862 126.656 122.820 -0.043 0.000 2.406 262 A HA 0.257 4.577 4.320 0.000 0.000 0.243 262 A C -0.179 177.482 177.584 0.129 0.000 1.082 262 A CA -0.189 51.884 52.037 0.061 0.000 0.786 262 A CB -0.176 18.908 19.000 0.139 0.000 1.029 262 A HN 0.565 nan 8.150 nan 0.000 0.495 263 L N 3.132 124.427 121.223 0.121 0.000 2.261 263 L HA 0.475 4.815 4.340 0.000 0.000 0.289 263 L C -2.212 174.689 176.870 0.052 0.000 1.059 263 L CA -1.811 53.068 54.840 0.065 0.000 0.816 263 L CB 0.475 42.566 42.059 0.054 0.000 1.191 263 L HN 0.378 nan 8.230 nan 0.000 0.431 264 P HA 0.304 nan 4.420 nan 0.000 0.274 264 P C -2.693 174.725 177.300 0.196 0.000 1.237 264 P CA -1.371 61.723 63.100 -0.010 0.000 0.793 264 P CB -0.218 31.341 31.700 -0.235 0.000 0.977 265 P HA -0.030 nan 4.420 nan 0.000 0.268 265 P C 0.407 177.703 177.300 -0.007 0.000 1.205 265 P CA 0.199 63.232 63.100 -0.111 0.000 0.771 265 P CB 0.522 31.893 31.700 -0.547 0.000 0.858 266 A N 5.191 128.010 122.820 -0.002 0.000 1.917 266 A HA -0.185 4.135 4.320 0.000 0.000 0.219 266 A C 2.026 179.728 177.584 0.196 0.000 1.182 266 A CA 1.805 53.838 52.037 -0.007 0.000 0.633 266 A CB -1.808 17.085 19.000 -0.178 0.000 0.819 266 A HN 0.835 nan 8.150 nan 0.000 0.448 267 W N 0.779 122.184 121.300 0.175 0.000 2.341 267 W HA -0.195 4.465 4.660 0.000 0.000 0.283 267 W C 1.871 178.518 176.519 0.214 0.000 1.215 267 W CA 1.409 58.833 57.345 0.133 0.000 1.211 267 W CB -1.471 28.017 29.460 0.046 0.000 1.131 267 W HN 0.558 nan 8.180 nan 0.000 0.552 268 S N 0.438 116.080 115.700 -0.097 0.000 2.474 268 S HA -0.145 4.325 4.470 0.000 0.000 0.235 268 S C 1.382 176.182 174.600 0.333 0.000 0.997 268 S CA 0.605 58.857 58.200 0.087 0.000 0.949 268 S CB -1.345 61.709 63.200 -0.243 0.000 0.766 268 S HN 0.220 nan 8.310 nan 0.000 0.517 269 F N 2.285 122.311 119.950 0.126 0.000 2.811 269 F HA 0.364 4.891 4.527 0.000 0.000 0.301 269 F C 1.903 177.763 175.800 0.100 0.000 1.151 269 F CA -0.197 57.790 58.000 -0.021 0.000 1.412 269 F CB -0.354 38.622 39.000 -0.040 0.000 1.113 269 F HN 0.334 nan 8.300 nan 0.000 0.579 270 G N 0.142 109.131 108.800 0.316 0.000 2.508 270 G HA2 0.326 4.286 3.960 0.000 0.000 0.278 270 G HA3 0.326 4.286 3.960 0.000 0.000 0.278 270 G C -1.103 174.107 174.900 0.517 0.000 1.389 270 G CA -0.537 44.714 45.100 0.250 0.000 1.050 270 G HN -0.011 nan 8.290 nan 0.000 0.522 271 L N -0.439 121.182 121.223 0.663 0.000 2.305 271 L HA 0.565 4.905 4.340 0.000 0.000 0.281 271 L C -1.195 175.946 176.870 0.452 0.000 1.085 271 L CA -1.027 54.108 54.840 0.492 0.000 0.813 271 L CB 0.613 42.884 42.059 0.354 0.000 1.157 271 L HN 0.420 nan 8.230 nan 0.000 0.436 272 W N 6.196 127.561 121.300 0.108 0.000 2.496 272 W HA 0.592 5.252 4.660 0.000 0.000 0.327 272 W C -0.488 176.020 176.519 -0.019 0.000 1.086 272 W CA -0.593 56.753 57.345 0.002 0.000 1.222 272 W CB 1.042 30.401 29.460 -0.168 0.000 1.304 272 W HN 0.293 nan 8.180 nan 0.000 0.547 273 L N 3.275 124.592 121.223 0.157 0.000 2.370 273 L HA 0.691 5.031 4.340 0.000 0.000 0.266 273 L C -0.096 176.638 176.870 -0.226 0.000 1.002 273 L CA -0.420 54.468 54.840 0.081 0.000 0.818 273 L CB 2.043 44.242 42.059 0.234 0.000 1.325 273 L HN 0.626 nan 8.230 nan 0.000 0.418 274 T N -1.552 112.853 114.554 -0.247 0.000 2.927 274 T HA 0.324 4.674 4.350 0.000 0.000 0.286 274 T C 1.056 175.401 174.700 -0.592 0.000 1.040 274 T CA 0.238 62.035 62.100 -0.505 0.000 1.010 274 T CB 1.367 70.233 68.868 -0.003 0.000 1.177 274 T HN 0.722 nan 8.240 nan 0.000 0.546 275 T N -0.808 113.310 114.554 -0.726 0.000 3.098 275 T HA 0.200 4.550 4.350 0.000 0.000 0.266 275 T C 0.916 175.039 174.700 -0.961 0.000 1.145 275 T CA 0.387 61.989 62.100 -0.830 0.000 1.092 275 T CB -0.916 67.300 68.868 -1.087 0.000 0.908 275 T HN 1.048 nan 8.240 nan 0.000 0.526 276 S N -0.082 115.301 115.700 -0.529 0.000 3.769 276 S HA -0.163 4.307 4.470 0.000 0.000 0.656 276 S C 0.027 174.692 174.600 0.108 0.000 1.960 276 S CA 0.166 58.181 58.200 -0.308 0.000 2.104 276 S CB -1.266 61.672 63.200 -0.436 0.000 0.328 276 S HN 0.412 nan 8.310 nan 0.000 1.640 277 F N 1.925 121.917 119.950 0.071 0.000 2.138 277 F HA 0.162 4.689 4.527 0.000 0.000 0.283 277 F C 2.540 178.574 175.800 0.389 0.000 1.100 277 F CA 1.981 60.194 58.000 0.355 0.000 1.189 277 F CB -1.140 38.129 39.000 0.448 0.000 1.060 277 F HN 0.752 nan 8.300 nan 0.000 0.492 278 T N -1.502 113.016 114.554 -0.060 0.000 3.105 278 T HA 0.177 4.527 4.350 0.000 0.000 0.253 278 T C 0.963 175.518 174.700 -0.242 0.000 1.047 278 T CA 0.359 62.235 62.100 -0.373 0.000 0.944 278 T CB -1.404 67.202 68.868 -0.436 0.000 1.016 278 T HN 0.406 nan 8.240 nan 0.000 0.544 279 T N 1.056 115.586 114.554 -0.041 0.000 2.681 279 T HA 0.258 4.608 4.350 0.000 0.000 0.333 279 T C -0.135 174.602 174.700 0.061 0.000 1.049 279 T CA -0.488 61.630 62.100 0.030 0.000 1.002 279 T CB -0.046 68.878 68.868 0.094 0.000 1.161 279 T HN 0.397 nan 8.240 nan 0.000 0.519 280 N N 0.304 119.109 118.700 0.175 0.000 2.342 280 N HA 0.505 5.245 4.740 0.000 0.000 0.293 280 N C -1.617 174.160 175.510 0.444 0.000 1.026 280 N CA -0.795 52.336 53.050 0.134 0.000 0.857 280 N CB 1.158 39.666 38.487 0.035 0.000 1.256 280 N HN 0.515 nan 8.380 nan 0.000 0.484 281 Y N 0.285 120.695 120.300 0.184 0.000 2.429 281 Y HA 0.623 5.173 4.550 0.000 0.000 0.342 281 Y C -0.309 175.655 175.900 0.106 0.000 1.004 281 Y CA -1.601 56.693 58.100 0.323 0.000 1.075 281 Y CB 1.077 39.912 38.460 0.624 0.000 1.214 281 Y HN 0.590 nan 8.280 nan 0.000 0.455 282 D N -1.573 119.009 120.400 0.304 0.000 2.725 282 D HA 0.129 4.769 4.640 0.000 0.000 0.292 282 D C 0.333 176.780 176.300 0.246 0.000 1.288 282 D CA -0.794 53.230 54.000 0.039 0.000 0.784 282 D CB 0.741 41.508 40.800 -0.055 0.000 1.308 282 D HN 0.465 nan 8.370 nan 0.000 0.429 283 E N -0.181 120.138 120.200 0.199 0.000 2.085 283 E HA -0.182 4.168 4.350 0.000 0.000 0.194 283 E C 1.939 178.620 176.600 0.135 0.000 0.994 283 E CA 1.662 58.193 56.400 0.219 0.000 0.801 283 E CB -0.255 29.539 29.700 0.156 0.000 0.743 283 E HN 0.487 nan 8.360 nan 0.000 0.453 284 A N 0.160 123.033 122.820 0.088 0.000 1.883 284 A HA -0.211 4.109 4.320 0.000 0.000 0.217 284 A C 2.393 180.009 177.584 0.054 0.000 1.186 284 A CA 2.199 54.262 52.037 0.044 0.000 0.624 284 A CB -1.033 17.980 19.000 0.023 0.000 0.822 284 A HN 0.347 nan 8.150 nan 0.000 0.444 285 T N -0.383 114.249 114.554 0.129 0.000 2.737 285 T HA -0.108 4.242 4.350 0.000 0.000 0.265 285 T C 1.902 176.771 174.700 0.282 0.000 1.038 285 T CA 1.511 63.736 62.100 0.207 0.000 1.144 285 T CB -0.548 68.517 68.868 0.328 0.000 0.866 285 T HN 0.145 nan 8.240 nan 0.000 0.434 286 V N 2.780 122.875 119.914 0.301 0.000 2.282 286 V HA -0.226 3.894 4.120 0.000 0.000 0.249 286 V C 2.440 178.540 176.094 0.010 0.000 1.057 286 V CA 1.630 64.042 62.300 0.187 0.000 1.032 286 V CB -0.587 31.302 31.823 0.110 0.000 0.645 286 V HN 0.510 nan 8.190 nan 0.000 0.447 287 N N 0.322 119.019 118.700 -0.006 0.000 2.309 287 N HA -0.113 4.627 4.740 0.000 0.000 0.182 287 N C 2.131 177.589 175.510 -0.087 0.000 1.018 287 N CA 1.599 54.612 53.050 -0.061 0.000 0.876 287 N CB -0.117 38.342 38.487 -0.047 0.000 0.972 287 N HN 0.689 nan 8.380 nan 0.000 0.434 288 S N 0.054 115.674 115.700 -0.134 0.000 2.383 288 S HA -0.035 4.435 4.470 0.000 0.000 0.227 288 S C 1.854 176.243 174.600 -0.351 0.000 1.026 288 S CA 0.626 58.645 58.200 -0.301 0.000 0.981 288 S CB -0.615 62.317 63.200 -0.447 0.000 0.818 288 S HN 0.154 nan 8.310 nan 0.000 0.472 289 F N 1.525 121.433 119.950 -0.070 0.000 2.234 289 F HA 0.310 4.837 4.527 0.000 0.000 0.296 289 F C 2.205 178.092 175.800 0.146 0.000 1.089 289 F CA 0.300 58.340 58.000 0.066 0.000 1.343 289 F CB -0.467 38.410 39.000 -0.205 0.000 1.040 289 F HN 0.162 nan 8.300 nan 0.000 0.498 290 I N 0.065 120.719 120.570 0.140 0.000 2.179 290 I HA -0.282 3.888 4.170 0.000 0.000 0.242 290 I C 1.932 178.063 176.117 0.023 0.000 1.088 290 I CA 1.343 62.673 61.300 0.049 0.000 1.357 290 I CB -0.419 37.514 38.000 -0.112 0.000 1.051 290 I HN 0.039 nan 8.210 nan 0.000 0.409 291 D N 0.940 121.317 120.400 -0.039 0.000 2.117 291 D HA -0.144 4.496 4.640 0.000 0.000 0.197 291 D C 2.196 178.423 176.300 -0.122 0.000 0.987 291 D CA 1.534 55.484 54.000 -0.083 0.000 0.829 291 D CB -0.729 40.002 40.800 -0.115 0.000 0.961 291 D HN 0.401 nan 8.370 nan 0.000 0.460 292 G N 0.857 109.566 108.800 -0.152 0.000 2.469 292 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 292 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 292 G C 1.559 176.275 174.900 -0.306 0.000 1.136 292 G CA 0.743 45.590 45.100 -0.422 0.000 0.759 292 G HN 0.128 nan 8.290 nan 0.000 0.562 293 M N 0.951 120.632 119.600 0.135 0.000 2.099 293 M HA 0.045 4.525 4.480 0.000 0.000 0.262 293 M C 3.046 179.384 176.300 0.062 0.000 1.067 293 M CA 1.429 56.871 55.300 0.236 0.000 1.124 293 M CB -1.174 31.589 32.600 0.273 0.000 1.353 293 M HN 0.326 nan 8.290 nan 0.000 0.410 294 A N -0.003 122.819 122.820 0.003 0.000 1.898 294 A HA -0.160 4.160 4.320 0.000 0.000 0.216 294 A C 2.037 179.589 177.584 -0.054 0.000 1.181 294 A CA 1.652 53.674 52.037 -0.026 0.000 0.620 294 A CB -0.753 18.223 19.000 -0.040 0.000 0.819 294 A HN 0.531 nan 8.150 nan 0.000 0.442 295 E N -0.441 119.698 120.200 -0.103 0.000 2.130 295 E HA -0.202 4.148 4.350 0.000 0.000 0.196 295 E C 1.744 178.279 176.600 -0.110 0.000 0.998 295 E CA 1.338 57.660 56.400 -0.130 0.000 0.806 295 E CB -0.118 29.457 29.700 -0.209 0.000 0.738 295 E HN 0.540 nan 8.360 nan 0.000 0.459 296 R N 0.443 120.882 120.500 -0.103 0.000 2.356 296 R HA 0.116 4.456 4.340 0.000 0.000 0.234 296 R C -0.176 176.138 176.300 0.024 0.000 0.929 296 R CA -0.048 56.028 56.100 -0.040 0.000 1.084 296 R CB 0.168 30.453 30.300 -0.024 0.000 1.105 296 R HN 0.071 nan 8.270 nan 0.000 0.515 297 N N 1.012 119.720 118.700 0.012 0.000 2.740 297 N HA -0.179 4.561 4.740 0.000 0.000 0.248 297 N C -1.108 174.440 175.510 0.062 0.000 1.062 297 N CA 0.959 54.025 53.050 0.028 0.000 0.704 297 N CB -1.178 37.322 38.487 0.021 0.000 0.968 297 N HN 0.310 nan 8.380 nan 0.000 0.547 298 L N 0.435 121.710 121.223 0.085 0.000 2.301 298 L HA 0.393 4.733 4.340 0.000 0.000 0.278 298 L C -2.011 174.908 176.870 0.081 0.000 1.022 298 L CA -1.599 53.317 54.840 0.127 0.000 0.854 298 L CB 1.234 43.420 42.059 0.211 0.000 1.226 298 L HN -0.266 nan 8.230 nan 0.000 0.429 299 P HA 0.090 nan 4.420 nan 0.000 0.266 299 P C -0.878 176.294 177.300 -0.214 0.000 1.195 299 P CA 0.090 63.163 63.100 -0.047 0.000 0.768 299 P CB 0.838 32.590 31.700 0.087 0.000 0.838 300 L N 3.611 124.541 121.223 -0.489 0.000 2.464 300 L HA 0.320 4.660 4.340 0.000 0.000 0.266 300 L C -0.176 176.301 176.870 -0.655 0.000 0.965 300 L CA -0.444 54.147 54.840 -0.416 0.000 0.833 300 L CB 1.924 43.933 42.059 -0.084 0.000 1.296 300 L HN 0.545 nan 8.230 nan 0.000 0.405 301 H N 2.532 121.637 119.070 0.059 0.000 2.926 301 H HA 0.338 4.894 4.556 0.000 0.000 0.249 301 H C -0.468 174.783 175.328 -0.129 0.000 0.963 301 H CA -0.022 56.030 56.048 0.007 0.000 1.158 301 H CB 1.307 31.126 29.762 0.096 0.000 1.445 301 H HN 0.231 nan 8.280 nan 0.000 0.452 302 V N 1.092 120.916 119.914 -0.150 0.000 2.760 302 V HA 0.254 4.374 4.120 0.000 0.000 0.309 302 V C -1.533 174.432 176.094 -0.214 0.000 1.077 302 V CA -0.918 61.128 62.300 -0.423 0.000 0.910 302 V CB 2.558 33.618 31.823 -1.271 0.000 1.008 302 V HN 0.116 nan 8.190 nan 0.000 0.424 303 F N 3.445 123.219 119.950 -0.294 0.000 2.520 303 F HA 0.729 5.256 4.527 0.000 0.000 0.322 303 F C -0.468 175.217 175.800 -0.191 0.000 1.103 303 F CA -0.494 57.384 58.000 -0.204 0.000 0.926 303 F CB 1.618 40.492 39.000 -0.208 0.000 1.154 303 F HN 0.718 nan 8.300 nan 0.000 0.453 304 H N 5.227 123.637 119.070 -1.101 0.000 2.505 304 H HA 0.458 5.014 4.556 0.000 0.000 0.338 304 H C -1.695 173.130 175.328 -0.839 0.000 1.057 304 H CA -0.681 54.967 56.048 -0.667 0.000 1.202 304 H CB 0.823 30.341 29.762 -0.407 0.000 1.466 304 H HN 0.481 nan 8.280 nan 0.000 0.499 305 F N 3.893 123.387 119.950 -0.761 0.000 2.424 305 F HA 0.174 4.701 4.527 0.000 0.000 0.356 305 F C 0.766 176.204 175.800 -0.604 0.000 1.110 305 F CA -0.195 57.487 58.000 -0.529 0.000 1.161 305 F CB 0.771 39.620 39.000 -0.253 0.000 1.115 305 F HN 0.665 nan 8.300 nan 0.000 0.507 306 D N 1.113 121.442 120.400 -0.118 0.000 2.507 306 D HA 0.211 4.851 4.640 0.000 0.000 0.280 306 D C 1.070 177.529 176.300 0.266 0.000 1.219 306 D CA -0.421 53.650 54.000 0.119 0.000 1.085 306 D CB 0.886 41.833 40.800 0.245 0.000 1.134 306 D HN 0.570 nan 8.370 nan 0.000 0.583 307 C N -0.354 118.739 119.300 -0.346 0.000 2.391 307 C HA -0.181 4.279 4.460 0.000 0.000 0.276 307 C C 2.287 176.679 174.990 -0.996 0.000 1.217 307 C CA 0.435 58.651 59.018 -1.336 0.000 1.766 307 C CB -1.288 25.140 27.740 -2.186 0.000 2.046 307 C HN 0.489 nan 8.230 nan 0.000 0.475 308 F N 1.575 121.429 119.950 -0.161 0.000 2.772 308 F HA -0.007 4.520 4.527 0.000 0.000 0.302 308 F C 2.023 177.906 175.800 0.137 0.000 1.225 308 F CA 0.181 58.112 58.000 -0.115 0.000 1.429 308 F CB -0.821 37.898 39.000 -0.468 0.000 1.104 308 F HN 0.606 nan 8.300 nan 0.000 0.550 309 W N -0.618 120.848 121.300 0.277 0.000 2.519 309 W HA 0.084 4.744 4.660 0.000 0.000 0.266 309 W C 0.016 176.552 176.519 0.027 0.000 1.253 309 W CA 0.218 57.643 57.345 0.134 0.000 1.274 309 W CB -0.579 28.636 29.460 -0.409 0.000 1.114 309 W HN -0.026 nan 8.180 nan 0.000 0.596 310 M N 1.395 120.755 119.600 -0.401 0.000 2.654 310 M HA 0.299 4.779 4.480 0.000 0.000 0.310 310 M C 0.173 176.553 176.300 0.133 0.000 1.211 310 M CA -0.714 54.411 55.300 -0.293 0.000 0.947 310 M CB 1.999 34.245 32.600 -0.589 0.000 1.647 310 M HN -0.382 nan 8.290 nan 0.000 0.481 311 K N 1.187 121.661 120.400 0.124 0.000 2.382 311 K HA 0.334 4.654 4.320 0.000 0.000 0.275 311 K C -0.204 176.321 176.600 -0.125 0.000 1.009 311 K CA -0.363 55.974 56.287 0.082 0.000 0.970 311 K CB 0.555 33.088 32.500 0.055 0.000 0.934 311 K HN 0.726 nan 8.250 nan 0.000 0.479 312 A N 2.673 125.322 122.820 -0.284 0.000 2.531 312 A HA 0.110 4.430 4.320 0.000 0.000 0.236 312 A C 0.033 177.102 177.584 -0.858 0.000 1.062 312 A CA 0.128 51.615 52.037 -0.915 0.000 0.760 312 A CB -0.571 17.924 19.000 -0.842 0.000 0.995 312 A HN 0.776 nan 8.150 nan 0.000 0.501 313 F N -1.235 118.136 119.950 -0.965 0.000 2.656 313 F HA -0.233 4.294 4.527 0.000 0.000 0.381 313 F C 1.281 176.827 175.800 -0.424 0.000 0.603 313 F CA 1.660 59.288 58.000 -0.620 0.000 1.335 313 F CB -1.868 36.899 39.000 -0.389 0.000 1.836 313 F HN 0.738 nan 8.300 nan 0.000 0.290 314 Q N -1.460 118.173 119.800 -0.279 0.000 2.194 314 Q HA 0.066 4.406 4.340 0.000 0.000 0.214 314 Q C -0.095 175.959 176.000 0.089 0.000 0.838 314 Q CA -0.223 55.553 55.803 -0.046 0.000 0.972 314 Q CB 0.485 29.226 28.738 0.005 0.000 1.131 314 Q HN 0.285 nan 8.270 nan 0.000 0.498 315 W N 0.819 122.075 121.300 -0.073 0.000 2.238 315 W HA 0.206 4.866 4.660 0.000 0.000 0.321 315 W C 0.125 176.741 176.519 0.162 0.000 1.293 315 W CA -1.783 55.557 57.345 -0.008 0.000 1.204 315 W CB 0.256 29.711 29.460 -0.008 0.000 1.167 315 W HN 0.003 nan 8.180 nan 0.000 0.553 316 C N 6.280 125.801 119.300 0.368 0.000 2.258 316 C HA 0.228 4.688 4.460 0.000 0.000 0.321 316 C C 0.978 175.915 174.990 -0.088 0.000 1.168 316 C CA -0.566 58.491 59.018 0.066 0.000 1.531 316 C CB -1.153 26.529 27.740 -0.096 0.000 2.095 316 C HN 0.685 nan 8.230 nan 0.000 0.449 317 D N 2.526 122.870 120.400 -0.093 0.000 2.433 317 D HA 0.089 4.729 4.640 0.000 0.000 0.211 317 D C 0.698 177.123 176.300 0.208 0.000 1.114 317 D CA -0.248 53.857 54.000 0.174 0.000 0.837 317 D CB -0.397 40.562 40.800 0.266 0.000 0.984 317 D HN 0.519 nan 8.370 nan 0.000 0.505 318 F N -0.256 119.687 119.950 -0.012 0.000 2.914 318 F HA -0.195 4.332 4.527 0.000 0.000 0.304 318 F C 0.042 175.887 175.800 0.074 0.000 0.712 318 F CA 0.428 58.433 58.000 0.008 0.000 1.211 318 F CB -1.816 37.209 39.000 0.042 0.000 1.515 318 F HN -0.017 nan 8.300 nan 0.000 0.350 319 E N 0.371 120.632 120.200 0.102 0.000 2.146 319 E HA 0.191 4.541 4.350 0.000 0.000 0.282 319 E C -0.342 176.378 176.600 0.199 0.000 0.989 319 E CA -0.620 55.914 56.400 0.222 0.000 0.799 319 E CB 0.473 30.297 29.700 0.208 0.000 1.088 319 E HN 0.194 nan 8.360 nan 0.000 0.397 320 W N 1.841 123.356 121.300 0.358 0.000 2.210 320 W HA -0.008 4.652 4.660 0.000 0.000 0.330 320 W C 1.005 177.723 176.519 0.332 0.000 1.334 320 W CA -0.019 57.580 57.345 0.424 0.000 1.227 320 W CB 0.384 30.041 29.460 0.329 0.000 1.178 320 W HN 0.308 nan 8.180 nan 0.000 0.560 321 D N 5.484 126.248 120.400 0.606 0.000 2.412 321 D HA -0.025 4.615 4.640 0.000 0.000 0.257 321 D C -1.106 175.465 176.300 0.452 0.000 1.217 321 D CA -1.487 52.790 54.000 0.462 0.000 0.897 321 D CB 1.191 42.247 40.800 0.427 0.000 1.132 321 D HN 0.091 nan 8.370 nan 0.000 0.493 322 P HA -0.061 nan 4.420 nan 0.000 0.229 322 P C 1.679 179.071 177.300 0.153 0.000 1.160 322 P CA 0.517 63.757 63.100 0.233 0.000 0.777 322 P CB 0.392 32.198 31.700 0.176 0.000 0.814 323 L N -0.773 120.521 121.223 0.119 0.000 2.044 323 L HA -0.066 4.274 4.340 0.000 0.000 0.205 323 L C 2.442 179.308 176.870 -0.007 0.000 1.075 323 L CA 1.750 56.621 54.840 0.050 0.000 0.747 323 L CB -1.679 40.400 42.059 0.033 0.000 0.903 323 L HN -0.038 nan 8.230 nan 0.000 0.435 324 T N -0.754 113.770 114.554 -0.051 0.000 2.942 324 T HA -0.001 4.349 4.350 0.000 0.000 0.265 324 T C 0.173 174.535 174.700 -0.564 0.000 1.062 324 T CA 0.981 62.882 62.100 -0.332 0.000 1.139 324 T CB -0.038 68.571 68.868 -0.431 0.000 0.883 324 T HN -0.003 nan 8.240 nan 0.000 0.468 325 F N 1.389 121.468 119.950 0.215 0.000 2.660 325 F HA 0.348 4.875 4.527 0.000 0.000 0.352 325 F C -1.916 173.933 175.800 0.081 0.000 1.257 325 F CA -2.690 55.409 58.000 0.166 0.000 1.200 325 F CB 1.452 40.623 39.000 0.284 0.000 1.473 325 F HN -0.076 nan 8.300 nan 0.000 0.561 326 P HA -0.113 nan 4.420 nan 0.000 0.221 326 P C 0.214 177.539 177.300 0.042 0.000 1.150 326 P CA 1.269 64.424 63.100 0.093 0.000 0.800 326 P CB 0.544 32.276 31.700 0.054 0.000 0.787 327 D N -0.762 119.645 120.400 0.011 0.000 2.513 327 D HA 0.171 4.811 4.640 0.000 0.000 0.295 327 D C -1.781 174.405 176.300 -0.191 0.000 1.202 327 D CA -2.281 51.675 54.000 -0.073 0.000 0.849 327 D CB 0.555 41.325 40.800 -0.051 0.000 1.116 327 D HN -0.117 nan 8.370 nan 0.000 0.502 328 P HA -0.160 nan 4.420 nan 0.000 0.215 328 P C 1.292 178.185 177.300 -0.680 0.000 1.157 328 P CA 0.975 63.553 63.100 -0.871 0.000 0.868 328 P CB 0.424 31.044 31.700 -1.800 0.000 0.788 329 E N -0.270 119.645 120.200 -0.475 0.000 2.077 329 E HA -0.126 4.224 4.350 0.000 0.000 0.193 329 E C 2.230 178.698 176.600 -0.221 0.000 0.989 329 E CA 1.416 57.625 56.400 -0.317 0.000 0.800 329 E CB -0.953 28.615 29.700 -0.220 0.000 0.746 329 E HN 0.160 nan 8.360 nan 0.000 0.452 330 G N 1.402 110.095 108.800 -0.177 0.000 2.418 330 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 330 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 330 G C 1.580 176.417 174.900 -0.104 0.000 1.158 330 G CA 0.955 45.985 45.100 -0.117 0.000 0.771 330 G HN 0.365 nan 8.290 nan 0.000 0.545 331 M N 0.778 120.309 119.600 -0.116 0.000 2.117 331 M HA -0.058 4.422 4.480 0.000 0.000 0.262 331 M C 2.484 178.748 176.300 -0.059 0.000 1.065 331 M CA 2.113 57.380 55.300 -0.055 0.000 1.114 331 M CB -0.280 32.318 32.600 -0.004 0.000 1.361 331 M HN 0.303 nan 8.290 nan 0.000 0.408 332 I N -0.344 120.138 120.570 -0.147 0.000 2.315 332 I HA -0.150 4.020 4.170 0.000 0.000 0.248 332 I C 2.338 178.402 176.117 -0.089 0.000 1.117 332 I CA 1.561 62.803 61.300 -0.098 0.000 1.404 332 I CB -0.634 37.265 38.000 -0.170 0.000 1.071 332 I HN 0.254 nan 8.210 nan 0.000 0.419 333 R N 1.492 121.926 120.500 -0.109 0.000 2.091 333 R HA -0.104 4.236 4.340 0.000 0.000 0.238 333 R C 2.388 178.641 176.300 -0.078 0.000 1.136 333 R CA 1.798 57.841 56.100 -0.096 0.000 0.959 333 R CB -0.691 29.553 30.300 -0.094 0.000 0.856 333 R HN 0.392 nan 8.270 nan 0.000 0.437 334 R N -0.303 120.157 120.500 -0.066 0.000 2.096 334 R HA -0.023 4.317 4.340 0.000 0.000 0.235 334 R C 2.259 178.524 176.300 -0.059 0.000 1.127 334 R CA 1.632 57.699 56.100 -0.056 0.000 0.968 334 R CB -0.331 29.942 30.300 -0.044 0.000 0.861 334 R HN 0.248 nan 8.270 nan 0.000 0.440 335 L N 0.023 121.214 121.223 -0.052 0.000 2.109 335 L HA -0.128 4.212 4.340 0.000 0.000 0.207 335 L C 2.356 179.177 176.870 -0.080 0.000 1.086 335 L CA 1.095 55.896 54.840 -0.064 0.000 0.760 335 L CB -0.270 41.767 42.059 -0.036 0.000 0.910 335 L HN 0.029 nan 8.230 nan 0.000 0.437 336 K N 0.591 120.938 120.400 -0.088 0.000 2.148 336 K HA -0.087 4.233 4.320 0.000 0.000 0.204 336 K C 2.039 178.576 176.600 -0.106 0.000 1.050 336 K CA 1.177 57.394 56.287 -0.117 0.000 0.942 336 K CB -0.132 32.290 32.500 -0.129 0.000 0.724 336 K HN 0.239 nan 8.250 nan 0.000 0.446 337 A N 0.728 123.495 122.820 -0.087 0.000 2.067 337 A HA -0.131 4.189 4.320 0.000 0.000 0.219 337 A C 1.526 179.068 177.584 -0.070 0.000 1.158 337 A CA 1.333 53.325 52.037 -0.076 0.000 0.661 337 A CB -0.298 18.662 19.000 -0.067 0.000 0.801 337 A HN 0.294 nan 8.150 nan 0.000 0.452 338 K N -1.351 119.006 120.400 -0.073 0.000 2.486 338 K HA 0.163 4.483 4.320 0.000 0.000 0.194 338 K C 1.109 177.668 176.600 -0.068 0.000 1.033 338 K CA 0.511 56.757 56.287 -0.068 0.000 1.004 338 K CB -0.090 32.367 32.500 -0.072 0.000 0.798 338 K HN 0.654 nan 8.250 nan 0.000 0.495 339 G N 1.086 109.838 108.800 -0.081 0.000 2.176 339 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 339 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 339 G C -0.014 174.825 174.900 -0.102 0.000 0.986 339 G CA -0.443 44.609 45.100 -0.080 0.000 0.643 339 G HN 0.107 nan 8.290 nan 0.000 0.522 340 L N 0.772 121.922 121.223 -0.121 0.000 2.395 340 L HA 0.497 4.837 4.340 0.000 0.000 0.269 340 L C 0.629 177.347 176.870 -0.253 0.000 1.133 340 L CA -0.617 54.135 54.840 -0.146 0.000 0.812 340 L CB 0.787 42.783 42.059 -0.105 0.000 1.125 340 L HN -0.099 nan 8.230 nan 0.000 0.452 341 K N 2.457 122.638 120.400 -0.367 0.000 2.110 341 K HA 0.535 4.855 4.320 0.000 0.000 0.263 341 K C -0.858 175.506 176.600 -0.394 0.000 0.975 341 K CA -0.721 55.219 56.287 -0.579 0.000 0.895 341 K CB 2.041 33.847 32.500 -1.157 0.000 1.060 341 K HN 0.241 nan 8.250 nan 0.000 0.448 342 I N 1.233 121.601 120.570 -0.337 0.000 2.378 342 I HA 0.162 4.332 4.170 0.000 0.000 0.291 342 I C -0.069 175.929 176.117 -0.199 0.000 0.992 342 I CA -0.454 60.749 61.300 -0.162 0.000 1.154 342 I CB 1.409 39.391 38.000 -0.031 0.000 1.315 342 I HN 0.469 nan 8.210 nan 0.000 0.448 343 C N 7.368 126.595 119.300 -0.123 0.000 2.435 343 C HA 0.906 5.366 4.460 0.000 0.000 0.333 343 C C -0.179 174.800 174.990 -0.019 0.000 1.202 343 C CA -0.368 58.618 59.018 -0.054 0.000 1.830 343 C CB 0.790 28.601 27.740 0.117 0.000 2.326 343 C HN 0.701 nan 8.230 nan 0.000 0.507 344 V N 2.797 122.695 119.914 -0.027 0.000 2.914 344 V HA 0.673 4.793 4.120 0.000 0.000 0.314 344 V C -0.812 175.460 176.094 0.296 0.000 1.084 344 V CA -0.899 61.361 62.300 -0.067 0.000 0.963 344 V CB 1.469 33.026 31.823 -0.444 0.000 1.025 344 V HN 1.070 nan 8.190 nan 0.000 0.432 345 W N 5.712 127.117 121.300 0.176 0.000 2.253 345 W HA 0.666 5.326 4.660 0.000 0.000 0.322 345 W C -0.148 176.591 176.519 0.367 0.000 1.342 345 W CA -0.137 57.393 57.345 0.309 0.000 1.218 345 W CB 0.694 30.271 29.460 0.194 0.000 1.205 345 W HN 0.860 nan 8.180 nan 0.000 0.551 346 I N 4.122 124.416 120.570 -0.460 0.000 3.042 346 I HA 0.638 4.808 4.170 0.000 0.000 0.310 346 I C -0.967 174.471 176.117 -1.131 0.000 1.117 346 I CA -1.178 59.746 61.300 -0.626 0.000 1.003 346 I CB 2.274 40.213 38.000 -0.102 0.000 1.228 346 I HN 0.709 nan 8.210 nan 0.000 0.443 347 N N 2.170 120.424 118.700 -0.743 0.000 3.039 347 N HA 0.579 5.319 4.740 0.000 0.000 0.257 347 N C -2.827 172.579 175.510 -0.174 0.000 1.497 347 N CA -1.490 51.300 53.050 -0.433 0.000 0.861 347 N CB 2.567 40.706 38.487 -0.580 0.000 1.479 347 N HN 0.394 nan 8.380 nan 0.000 0.547 348 P HA 0.292 nan 4.420 nan 0.000 0.270 348 P C -1.412 175.965 177.300 0.128 0.000 1.754 348 P CA 0.088 63.081 63.100 -0.179 0.000 1.202 348 P CB -0.311 31.009 31.700 -0.633 0.000 1.592 349 Y N -0.055 120.393 120.300 0.247 0.000 2.598 349 Y HA 0.641 5.191 4.550 0.000 0.000 0.340 349 Y C 0.297 176.318 175.900 0.201 0.000 1.038 349 Y CA -2.377 55.821 58.100 0.163 0.000 1.100 349 Y CB 1.504 40.087 38.460 0.204 0.000 1.281 349 Y HN -0.220 nan 8.280 nan 0.000 0.488 350 I N 0.707 121.431 120.570 0.258 0.000 2.571 350 I HA 0.653 4.823 4.170 0.000 0.000 0.289 350 I C -0.137 176.162 176.117 0.304 0.000 1.115 350 I CA -0.570 60.875 61.300 0.241 0.000 1.045 350 I CB 1.533 39.563 38.000 0.049 0.000 1.238 350 I HN 0.773 nan 8.210 nan 0.000 0.424 351 G N 4.673 113.612 108.800 0.232 0.000 2.441 351 G HA2 0.064 4.024 3.960 0.000 0.000 0.243 351 G HA3 0.064 4.024 3.960 0.000 0.000 0.243 351 G C 0.343 175.204 174.900 -0.066 0.000 1.281 351 G CA -0.186 44.956 45.100 0.071 0.000 0.854 351 G HN 0.860 nan 8.290 nan 0.000 0.560 352 Q N 1.437 120.959 119.800 -0.464 0.000 2.226 352 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 352 Q C 2.217 177.901 176.000 -0.527 0.000 0.975 352 Q CA 1.482 56.601 55.803 -1.141 0.000 0.866 352 Q CB -0.062 28.019 28.738 -1.096 0.000 0.915 352 Q HN 0.714 nan 8.270 nan 0.000 0.440 353 K N 0.387 120.625 120.400 -0.270 0.000 2.211 353 K HA -0.072 4.248 4.320 0.000 0.000 0.204 353 K C 0.596 177.176 176.600 -0.032 0.000 1.047 353 K CA 0.687 56.894 56.287 -0.133 0.000 0.935 353 K CB -0.104 32.353 32.500 -0.070 0.000 0.728 353 K HN 0.041 nan 8.250 nan 0.000 0.452 354 S N 0.931 116.646 115.700 0.025 0.000 2.546 354 S HA 0.062 4.532 4.470 0.000 0.000 0.290 354 S C -1.881 172.812 174.600 0.154 0.000 1.290 354 S CA -1.369 56.903 58.200 0.121 0.000 1.069 354 S CB 0.908 64.229 63.200 0.201 0.000 0.846 354 S HN 0.083 nan 8.310 nan 0.000 0.495 355 P HA -0.053 nan 4.420 nan 0.000 0.220 355 P C 1.263 178.674 177.300 0.184 0.000 1.148 355 P CA 0.496 63.682 63.100 0.145 0.000 0.803 355 P CB 0.098 31.878 31.700 0.132 0.000 0.782 356 V N -1.458 118.597 119.914 0.235 0.000 2.970 356 V HA -0.175 3.945 4.120 0.000 0.000 0.260 356 V C 1.956 178.154 176.094 0.174 0.000 1.100 356 V CA 1.041 63.496 62.300 0.259 0.000 1.122 356 V CB -1.233 30.839 31.823 0.416 0.000 0.721 356 V HN 0.032 nan 8.190 nan 0.000 0.483 357 F N 1.601 121.575 119.950 0.040 0.000 2.091 357 F HA -0.270 4.257 4.527 0.000 0.000 0.299 357 F C 2.455 178.219 175.800 -0.059 0.000 1.103 357 F CA 2.465 60.448 58.000 -0.029 0.000 1.228 357 F CB -0.161 38.824 39.000 -0.025 0.000 0.984 357 F HN 0.040 nan 8.300 nan 0.000 0.477 358 K N 0.396 120.933 120.400 0.229 0.000 2.063 358 K HA -0.279 4.041 4.320 0.000 0.000 0.208 358 K C 2.236 178.809 176.600 -0.045 0.000 1.048 358 K CA 1.863 58.215 56.287 0.107 0.000 0.928 358 K CB -0.422 32.145 32.500 0.112 0.000 0.713 358 K HN 0.504 nan 8.250 nan 0.000 0.442 359 E N 0.639 120.813 120.200 -0.044 0.000 2.058 359 E HA -0.217 4.133 4.350 0.000 0.000 0.194 359 E C 2.067 178.492 176.600 -0.293 0.000 0.997 359 E CA 1.372 57.709 56.400 -0.106 0.000 0.801 359 E CB -0.100 29.599 29.700 -0.003 0.000 0.746 359 E HN 0.356 nan 8.360 nan 0.000 0.450 360 L N 0.592 121.584 121.223 -0.384 0.000 2.046 360 L HA -0.213 4.127 4.340 0.000 0.000 0.208 360 L C 2.956 179.545 176.870 -0.468 0.000 1.077 360 L CA 1.553 56.075 54.840 -0.530 0.000 0.747 360 L CB -0.515 41.213 42.059 -0.551 0.000 0.896 360 L HN 0.315 nan 8.230 nan 0.000 0.432 361 Q N 0.472 120.015 119.800 -0.429 0.000 2.050 361 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 361 Q C 2.032 177.902 176.000 -0.216 0.000 0.980 361 Q CA 1.694 57.305 55.803 -0.319 0.000 0.840 361 Q CB 0.041 28.634 28.738 -0.243 0.000 0.898 361 Q HN 0.505 nan 8.270 nan 0.000 0.424 362 E N 0.153 120.235 120.200 -0.196 0.000 2.110 362 E HA -0.172 4.178 4.350 0.000 0.000 0.193 362 E C 1.794 178.265 176.600 -0.215 0.000 0.988 362 E CA 1.107 57.413 56.400 -0.157 0.000 0.804 362 E CB 0.123 29.752 29.700 -0.119 0.000 0.745 362 E HN 0.287 nan 8.360 nan 0.000 0.458 363 K N -0.846 119.319 120.400 -0.392 0.000 2.418 363 K HA 0.052 4.372 4.320 0.000 0.000 0.195 363 K C 0.957 177.297 176.600 -0.432 0.000 1.035 363 K CA 0.524 56.464 56.287 -0.577 0.000 1.003 363 K CB 0.650 32.420 32.500 -1.216 0.000 0.793 363 K HN 0.225 nan 8.250 nan 0.000 0.494 364 G N 0.967 109.607 108.800 -0.266 0.000 2.132 364 G HA2 -0.230 3.730 3.960 0.000 0.000 0.228 364 G HA3 -0.230 3.730 3.960 0.000 0.000 0.228 364 G C 0.214 175.207 174.900 0.154 0.000 1.000 364 G CA -0.153 44.935 45.100 -0.020 0.000 0.693 364 G HN 0.220 nan 8.290 nan 0.000 0.515 365 Y N -0.313 119.907 120.300 -0.134 0.000 2.511 365 Y HA 0.426 4.976 4.550 0.000 0.000 0.279 365 Y C 1.806 177.623 175.900 -0.139 0.000 1.157 365 Y CA -0.464 57.559 58.100 -0.130 0.000 1.300 365 Y CB 0.067 38.414 38.460 -0.189 0.000 1.052 365 Y HN 0.313 nan 8.280 nan 0.000 0.529 366 L N 0.404 121.599 121.223 -0.047 0.000 2.334 366 L HA 0.293 4.633 4.340 0.000 0.000 0.275 366 L C -0.234 176.571 176.870 -0.108 0.000 1.036 366 L CA -1.247 53.501 54.840 -0.153 0.000 0.807 366 L CB 1.289 43.174 42.059 -0.290 0.000 1.231 366 L HN -0.149 nan 8.230 nan 0.000 0.438 367 L N 3.107 124.232 121.223 -0.162 0.000 2.499 367 L HA 0.090 4.430 4.340 0.000 0.000 0.273 367 L C -0.231 176.541 176.870 -0.164 0.000 1.195 367 L CA 0.746 55.429 54.840 -0.262 0.000 0.882 367 L CB -0.072 41.680 42.059 -0.512 0.000 1.133 367 L HN 0.467 nan 8.230 nan 0.000 0.483 368 K N 5.033 125.334 120.400 -0.165 0.000 2.208 368 K HA 0.525 4.845 4.320 0.000 0.000 0.247 368 K C -0.342 176.208 176.600 -0.082 0.000 0.953 368 K CA -0.871 55.372 56.287 -0.074 0.000 0.837 368 K CB 1.570 34.046 32.500 -0.040 0.000 1.131 368 K HN 0.572 nan 8.250 nan 0.000 0.431 369 R N 1.308 121.807 120.500 -0.002 0.000 2.707 369 R HA 0.057 4.397 4.340 0.000 0.000 0.270 369 R C -1.749 174.546 176.300 -0.009 0.000 1.083 369 R CA -1.554 54.553 56.100 0.012 0.000 1.182 369 R CB -0.117 30.212 30.300 0.048 0.000 1.084 369 R HN 0.343 nan 8.270 nan 0.000 0.528 370 P HA -0.188 nan 4.420 nan 0.000 0.218 370 P C 0.329 177.632 177.300 0.004 0.000 1.148 370 P CA 1.346 64.447 63.100 0.002 0.000 0.822 370 P CB 0.062 31.770 31.700 0.014 0.000 0.784 371 D N -1.698 118.705 120.400 0.006 0.000 2.363 371 D HA 0.010 4.650 4.640 0.000 0.000 0.226 371 D C 1.494 177.795 176.300 0.001 0.000 1.020 371 D CA 0.962 54.965 54.000 0.004 0.000 0.892 371 D CB -1.011 39.791 40.800 0.005 0.000 0.900 371 D HN 0.247 nan 8.370 nan 0.000 0.531 372 G N 0.011 108.811 108.800 -0.001 0.000 2.195 372 G HA2 -0.299 3.661 3.960 0.000 0.000 0.246 372 G HA3 -0.299 3.661 3.960 0.000 0.000 0.246 372 G C 0.460 175.358 174.900 -0.004 0.000 0.984 372 G CA 0.496 45.595 45.100 -0.001 0.000 0.633 372 G HN 0.877 nan 8.290 nan 0.000 0.525 373 S N 0.324 116.022 115.700 -0.004 0.000 2.589 373 S HA 0.623 5.093 4.470 0.000 0.000 0.265 373 S C 0.696 175.293 174.600 -0.005 0.000 1.342 373 S CA -0.568 57.629 58.200 -0.007 0.000 1.005 373 S CB 1.046 64.239 63.200 -0.010 0.000 0.909 373 S HN 0.729 nan 8.310 nan 0.000 0.555 374 L N 1.127 122.347 121.223 -0.006 0.000 2.416 374 L HA 0.199 4.539 4.340 0.000 0.000 0.272 374 L C 0.214 177.094 176.870 0.016 0.000 1.161 374 L CA -0.560 54.283 54.840 0.004 0.000 0.845 374 L CB 0.191 42.258 42.059 0.014 0.000 1.119 374 L HN 0.839 nan 8.230 nan 0.000 0.464 375 W N 4.716 125.932 121.300 -0.140 0.000 2.368 375 W HA 0.204 4.864 4.660 0.000 0.000 0.316 375 W C -0.298 176.134 176.519 -0.145 0.000 1.375 375 W CA 0.062 57.306 57.345 -0.168 0.000 1.261 375 W CB 0.337 29.638 29.460 -0.264 0.000 1.298 375 W HN 0.446 nan 8.180 nan 0.000 0.539 376 Q N 5.783 125.076 119.800 -0.846 0.000 2.345 376 Q HA 0.352 4.692 4.340 0.000 0.000 0.275 376 Q C -0.904 174.584 176.000 -0.853 0.000 1.063 376 Q CA -0.887 54.523 55.803 -0.656 0.000 0.819 376 Q CB 2.382 30.977 28.738 -0.238 0.000 1.356 376 Q HN 0.568 nan 8.270 nan 0.000 0.418 377 W N 0.834 121.700 121.300 -0.724 0.000 3.098 377 W HA 0.550 5.210 4.660 0.000 0.000 0.367 377 W C -0.827 175.568 176.519 -0.207 0.000 1.163 377 W CA -0.969 56.112 57.345 -0.439 0.000 1.113 377 W CB -0.044 29.175 29.460 -0.402 0.000 1.501 377 W HN 0.459 nan 8.180 nan 0.000 0.598 378 D N 0.198 120.591 120.400 -0.013 0.000 2.431 378 D HA 0.117 4.757 4.640 0.000 0.000 0.213 378 D C -0.250 175.920 176.300 -0.217 0.000 1.130 378 D CA 0.100 54.036 54.000 -0.106 0.000 0.834 378 D CB 0.535 41.262 40.800 -0.121 0.000 0.985 378 D HN 0.155 nan 8.370 nan 0.000 0.504 379 K N 0.250 120.296 120.400 -0.589 0.000 2.270 379 K HA 0.059 4.379 4.320 0.000 0.000 0.276 379 K C 0.618 177.290 176.600 0.121 0.000 1.023 379 K CA -0.468 55.558 56.287 -0.434 0.000 0.955 379 K CB 1.756 33.683 32.500 -0.954 0.000 0.975 379 K HN 0.114 nan 8.250 nan 0.000 0.471 380 W N 0.285 121.618 121.300 0.055 0.000 0.426 380 W HA -0.339 4.321 4.660 0.000 0.000 0.214 380 W C -0.834 175.770 176.519 0.141 0.000 0.914 380 W CA 1.506 58.967 57.345 0.194 0.000 0.347 380 W CB -0.483 29.136 29.460 0.265 0.000 1.904 380 W HN 0.564 nan 8.180 nan 0.000 1.103 381 Q N 0.438 120.286 119.800 0.079 0.000 2.389 381 Q HA 0.429 4.769 4.340 0.000 0.000 0.277 381 Q C -2.343 173.648 176.000 -0.016 0.000 1.082 381 Q CA -1.798 53.961 55.803 -0.072 0.000 0.810 381 Q CB 1.589 30.305 28.738 -0.037 0.000 1.374 381 Q HN -0.113 nan 8.270 nan 0.000 0.422 382 P HA 0.071 nan 4.420 nan 0.000 0.268 382 P C 0.558 177.763 177.300 -0.159 0.000 1.204 382 P CA 0.625 63.614 63.100 -0.185 0.000 0.768 382 P CB 0.366 31.849 31.700 -0.360 0.000 0.842 383 G N 2.549 111.269 108.800 -0.134 0.000 2.258 383 G HA2 -0.300 3.660 3.960 0.000 0.000 0.274 383 G HA3 -0.300 3.660 3.960 0.000 0.000 0.274 383 G C 0.081 174.953 174.900 -0.047 0.000 1.021 383 G CA -0.062 44.948 45.100 -0.151 0.000 0.798 383 G HN 0.625 nan 8.290 nan 0.000 0.507 384 L N -0.012 121.264 121.223 0.088 0.000 2.559 384 L HA 0.449 4.789 4.340 0.000 0.000 0.282 384 L C 0.711 177.705 176.870 0.207 0.000 1.232 384 L CA 0.598 55.568 54.840 0.216 0.000 0.885 384 L CB 0.423 42.696 42.059 0.356 0.000 1.131 384 L HN 0.597 nan 8.230 nan 0.000 0.498 385 A N 6.292 129.268 122.820 0.260 0.000 2.386 385 A HA 0.764 5.084 4.320 0.000 0.000 0.308 385 A C -0.833 176.784 177.584 0.055 0.000 1.128 385 A CA -0.755 51.381 52.037 0.165 0.000 0.789 385 A CB 1.180 20.230 19.000 0.084 0.000 1.325 385 A HN 0.683 nan 8.150 nan 0.000 0.437 386 I N 0.840 121.389 120.570 -0.033 0.000 2.377 386 I HA 0.249 4.419 4.170 0.000 0.000 0.293 386 I C -1.045 174.962 176.117 -0.184 0.000 0.987 386 I CA -0.484 60.776 61.300 -0.066 0.000 1.185 386 I CB 1.347 39.211 38.000 -0.227 0.000 1.341 386 I HN 0.640 nan 8.210 nan 0.000 0.455 387 Y N 3.518 123.722 120.300 -0.159 0.000 2.544 387 Y HA -0.038 4.512 4.550 0.000 0.000 0.330 387 Y C 0.772 176.407 175.900 -0.442 0.000 1.136 387 Y CA 0.017 57.892 58.100 -0.375 0.000 1.417 387 Y CB 0.141 38.210 38.460 -0.652 0.000 1.229 387 Y HN 0.440 nan 8.280 nan 0.000 0.532 388 D N 4.518 124.885 120.400 -0.054 0.000 2.483 388 D HA 0.041 4.681 4.640 0.000 0.000 0.220 388 D C 0.091 176.496 176.300 0.175 0.000 1.173 388 D CA 0.065 54.156 54.000 0.150 0.000 0.964 388 D CB -0.339 40.557 40.800 0.160 0.000 1.046 388 D HN 0.540 nan 8.370 nan 0.000 0.517 389 F N 0.924 121.041 119.950 0.278 0.000 2.771 389 F HA -0.071 4.456 4.527 0.000 0.000 0.299 389 F C 2.388 178.216 175.800 0.046 0.000 1.177 389 F CA 0.338 58.358 58.000 0.032 0.000 1.450 389 F CB 0.185 39.067 39.000 -0.196 0.000 1.114 389 F HN 0.315 nan 8.300 nan 0.000 0.587 390 T N -3.580 111.170 114.554 0.327 0.000 3.081 390 T HA -0.010 4.340 4.350 0.000 0.000 0.250 390 T C 0.651 175.480 174.700 0.214 0.000 1.100 390 T CA -0.194 62.068 62.100 0.270 0.000 1.038 390 T CB -0.280 68.789 68.868 0.337 0.000 0.962 390 T HN -0.005 nan 8.240 nan 0.000 0.516 391 N N 2.705 121.416 118.700 0.018 0.000 2.462 391 N HA 0.281 5.021 4.740 0.000 0.000 0.242 391 N C -1.901 173.406 175.510 -0.339 0.000 1.010 391 N CA -2.507 50.225 53.050 -0.531 0.000 0.939 391 N CB 1.860 40.001 38.487 -0.577 0.000 1.127 391 N HN -0.001 nan 8.380 nan 0.000 0.509 392 P HA -0.120 nan 4.420 nan 0.000 0.216 392 P C 0.444 177.639 177.300 -0.175 0.000 1.153 392 P CA 1.210 64.229 63.100 -0.135 0.000 0.858 392 P CB 0.462 32.128 31.700 -0.058 0.000 0.789 393 D N -0.573 119.668 120.400 -0.264 0.000 2.178 393 D HA -0.077 4.563 4.640 0.000 0.000 0.202 393 D C 2.016 177.930 176.300 -0.642 0.000 0.974 393 D CA 1.378 55.202 54.000 -0.294 0.000 0.841 393 D CB -0.580 40.130 40.800 -0.149 0.000 0.953 393 D HN 0.116 nan 8.370 nan 0.000 0.478 394 A N 0.486 122.835 122.820 -0.784 0.000 1.898 394 A HA -0.162 4.158 4.320 0.000 0.000 0.216 394 A C 2.529 180.088 177.584 -0.042 0.000 1.181 394 A CA 1.068 52.713 52.037 -0.652 0.000 0.620 394 A CB -0.941 17.854 19.000 -0.341 0.000 0.819 394 A HN 0.325 nan 8.150 nan 0.000 0.442 395 C N -0.484 118.833 119.300 0.027 0.000 2.401 395 C HA -0.141 4.319 4.460 0.000 0.000 0.276 395 C C 2.722 177.742 174.990 0.050 0.000 1.233 395 C CA 1.577 60.644 59.018 0.082 0.000 1.753 395 C CB -1.006 26.724 27.740 -0.016 0.000 2.029 395 C HN 0.735 nan 8.230 nan 0.000 0.478 396 K N -1.038 119.363 120.400 0.002 0.000 2.062 396 K HA -0.186 4.134 4.320 0.000 0.000 0.205 396 K C 2.042 178.680 176.600 0.064 0.000 1.051 396 K CA 1.433 57.724 56.287 0.007 0.000 0.941 396 K CB -0.354 32.144 32.500 -0.003 0.000 0.719 396 K HN 0.658 nan 8.250 nan 0.000 0.440 397 W N 0.662 121.914 121.300 -0.080 0.000 2.335 397 W HA -0.286 4.374 4.660 0.000 0.000 0.311 397 W C 1.949 178.450 176.519 -0.030 0.000 1.213 397 W CA 1.970 59.318 57.345 0.005 0.000 1.274 397 W CB -0.405 29.121 29.460 0.110 0.000 1.148 397 W HN 0.184 nan 8.180 nan 0.000 0.498 398 Y N 0.620 121.041 120.300 0.202 0.000 2.133 398 Y HA -0.182 4.368 4.550 0.000 0.000 0.287 398 Y C 2.466 178.170 175.900 -0.326 0.000 1.134 398 Y CA 2.796 60.879 58.100 -0.029 0.000 1.133 398 Y CB -1.009 37.521 38.460 0.118 0.000 0.987 398 Y HN -0.023 nan 8.280 nan 0.000 0.502 399 A N 0.085 122.883 122.820 -0.036 0.000 1.948 399 A HA -0.251 4.069 4.320 0.000 0.000 0.220 399 A C 1.853 179.270 177.584 -0.279 0.000 1.177 399 A CA 2.248 54.187 52.037 -0.163 0.000 0.636 399 A CB -0.843 18.093 19.000 -0.107 0.000 0.815 399 A HN 0.559 nan 8.150 nan 0.000 0.449 400 D N -0.373 119.845 120.400 -0.303 0.000 2.149 400 D HA -0.082 4.558 4.640 0.000 0.000 0.201 400 D C 1.944 177.973 176.300 -0.451 0.000 0.972 400 D CA 0.953 54.760 54.000 -0.323 0.000 0.835 400 D CB -0.155 40.467 40.800 -0.297 0.000 0.966 400 D HN 0.251 nan 8.370 nan 0.000 0.476 401 K N 0.657 120.621 120.400 -0.726 0.000 2.032 401 K HA -0.070 4.250 4.320 0.000 0.000 0.209 401 K C 2.382 178.536 176.600 -0.743 0.000 1.048 401 K CA 0.461 56.202 56.287 -0.909 0.000 0.927 401 K CB -0.731 30.749 32.500 -1.699 0.000 0.712 401 K HN 0.264 nan 8.250 nan 0.000 0.441 402 L N 0.950 121.708 121.223 -0.774 0.000 2.046 402 L HA -0.195 4.145 4.340 0.000 0.000 0.208 402 L C 2.425 179.205 176.870 -0.150 0.000 1.077 402 L CA 1.412 55.971 54.840 -0.468 0.000 0.747 402 L CB -0.417 41.324 42.059 -0.530 0.000 0.896 402 L HN 0.179 nan 8.230 nan 0.000 0.432 403 K N 0.042 120.325 120.400 -0.194 0.000 2.097 403 K HA -0.119 4.201 4.320 0.000 0.000 0.206 403 K C 2.136 178.682 176.600 -0.090 0.000 1.049 403 K CA 1.238 57.459 56.287 -0.110 0.000 0.933 403 K CB -0.465 31.961 32.500 -0.124 0.000 0.717 403 K HN 0.402 nan 8.250 nan 0.000 0.442 404 G N 1.126 109.848 108.800 -0.130 0.000 2.422 404 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 404 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 404 G C 1.447 176.339 174.900 -0.013 0.000 1.146 404 G CA 0.499 45.552 45.100 -0.078 0.000 0.769 404 G HN 0.089 nan 8.290 nan 0.000 0.547 405 L N 0.174 121.411 121.223 0.023 0.000 2.027 405 L HA -0.072 4.268 4.340 0.000 0.000 0.206 405 L C 3.006 179.890 176.870 0.023 0.000 1.074 405 L CA 0.515 55.409 54.840 0.090 0.000 0.745 405 L CB -0.452 41.736 42.059 0.214 0.000 0.898 405 L HN 0.080 nan 8.230 nan 0.000 0.433 406 V N 0.101 120.034 119.914 0.031 0.000 2.392 406 V HA -0.311 3.809 4.120 0.000 0.000 0.249 406 V C 2.693 178.748 176.094 -0.066 0.000 1.059 406 V CA 1.803 64.078 62.300 -0.042 0.000 1.051 406 V CB -0.972 30.839 31.823 -0.019 0.000 0.658 406 V HN 0.500 nan 8.190 nan 0.000 0.455 407 A N -0.751 122.038 122.820 -0.053 0.000 2.015 407 A HA -0.134 4.186 4.320 0.000 0.000 0.219 407 A C 2.133 179.674 177.584 -0.072 0.000 1.163 407 A CA 1.681 53.681 52.037 -0.062 0.000 0.646 407 A CB -0.466 18.500 19.000 -0.055 0.000 0.806 407 A HN 0.529 nan 8.150 nan 0.000 0.448 408 M N -1.382 118.175 119.600 -0.072 0.000 2.659 408 M HA 0.139 4.619 4.480 0.000 0.000 0.243 408 M C 1.329 177.554 176.300 -0.126 0.000 1.111 408 M CA 0.886 56.124 55.300 -0.103 0.000 1.070 408 M CB 0.204 32.736 32.600 -0.113 0.000 1.525 408 M HN 0.628 nan 8.290 nan 0.000 0.517 409 G N 0.253 108.981 108.800 -0.121 0.000 2.163 409 G HA2 -0.175 3.785 3.960 0.000 0.000 0.213 409 G HA3 -0.175 3.785 3.960 0.000 0.000 0.213 409 G C 0.020 174.818 174.900 -0.169 0.000 0.991 409 G CA -0.466 44.549 45.100 -0.142 0.000 0.653 409 G HN 0.252 nan 8.290 nan 0.000 0.518 410 V N 1.657 121.470 119.914 -0.169 0.000 2.585 410 V HA 0.198 4.318 4.120 0.000 0.000 0.296 410 V C 1.137 177.046 176.094 -0.309 0.000 1.035 410 V CA 0.955 63.114 62.300 -0.236 0.000 1.084 410 V CB 1.245 32.919 31.823 -0.247 0.000 0.953 410 V HN 0.344 nan 8.190 nan 0.000 0.483 411 D N 2.268 122.462 120.400 -0.343 0.000 2.338 411 D HA 0.139 4.780 4.640 0.000 0.000 0.208 411 D C 0.449 176.578 176.300 -0.285 0.000 0.997 411 D CA 0.820 54.634 54.000 -0.309 0.000 0.880 411 D CB 0.723 41.282 40.800 -0.401 0.000 0.980 411 D HN 0.762 nan 8.370 nan 0.000 0.509 412 C N -1.472 117.561 119.300 -0.445 0.000 3.284 412 C HA 0.759 5.219 4.460 0.000 0.000 0.348 412 C C -1.545 173.038 174.990 -0.678 0.000 1.448 412 C CA -1.368 57.411 59.018 -0.397 0.000 1.223 412 C CB 0.811 28.598 27.740 0.078 0.000 1.588 412 C HN -0.009 nan 8.230 nan 0.000 0.451 413 F N 0.305 120.310 119.950 0.091 0.000 2.588 413 F HA 0.604 5.131 4.527 0.000 0.000 0.310 413 F C 0.012 175.842 175.800 0.051 0.000 1.082 413 F CA -0.683 57.354 58.000 0.063 0.000 0.929 413 F CB 1.750 40.761 39.000 0.018 0.000 1.254 413 F HN 0.728 nan 8.300 nan 0.000 0.455 414 K N 1.922 122.458 120.400 0.227 0.000 2.263 414 K HA 0.224 4.544 4.320 0.000 0.000 0.282 414 K C -0.387 176.162 176.600 -0.085 0.000 1.089 414 K CA -0.265 56.030 56.287 0.015 0.000 0.907 414 K CB 0.624 33.069 32.500 -0.092 0.000 1.148 414 K HN 0.766 nan 8.250 nan 0.000 0.470 415 T N 1.223 115.717 114.554 -0.100 0.000 3.455 415 T HA 0.079 4.429 4.350 0.000 0.000 0.286 415 T C 0.004 174.659 174.700 -0.075 0.000 1.157 415 T CA -0.802 61.197 62.100 -0.167 0.000 1.090 415 T CB 0.063 68.663 68.868 -0.447 0.000 1.112 415 T HN 0.374 nan 8.240 nan 0.000 0.779 416 D N 1.161 121.497 120.400 -0.105 0.000 2.354 416 D HA 0.493 5.133 4.640 0.000 0.000 0.247 416 D C 0.677 177.122 176.300 0.241 0.000 1.138 416 D CA -0.735 53.259 54.000 -0.011 0.000 0.958 416 D CB 0.253 41.039 40.800 -0.025 0.000 1.144 416 D HN 0.375 nan 8.370 nan 0.000 0.458 417 F N -0.050 119.873 119.950 -0.046 0.000 2.182 417 F HA -0.189 4.338 4.527 0.000 0.000 0.318 417 F C 1.801 177.667 175.800 0.110 0.000 0.129 417 F CA 1.355 59.349 58.000 -0.010 0.000 0.911 417 F CB -1.470 37.419 39.000 -0.185 0.000 4.131 417 F HN 0.579 nan 8.300 nan 0.000 0.140 418 G N -1.127 107.854 108.800 0.302 0.000 2.179 418 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 418 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 418 G C 0.529 175.600 174.900 0.286 0.000 0.990 418 G CA 0.692 45.991 45.100 0.332 0.000 0.646 418 G HN 0.715 nan 8.290 nan 0.000 0.517 419 E N 0.104 120.474 120.200 0.284 0.000 2.102 419 E HA 0.206 4.556 4.350 0.000 0.000 0.190 419 E C 1.720 178.327 176.600 0.011 0.000 0.971 419 E CA 0.420 56.901 56.400 0.135 0.000 0.821 419 E CB 0.007 29.856 29.700 0.249 0.000 0.777 419 E HN 0.437 nan 8.360 nan 0.000 0.460 420 R N 1.380 121.994 120.500 0.190 0.000 4.071 420 R HA 0.189 4.529 4.340 0.000 0.000 0.220 420 R C -0.606 175.630 176.300 -0.108 0.000 1.614 420 R CA -0.154 56.062 56.100 0.193 0.000 1.505 420 R CB 0.090 30.661 30.300 0.450 0.000 1.384 420 R HN 0.056 nan 8.270 nan 0.000 0.758 421 I N 4.313 124.758 120.570 -0.209 0.000 2.297 421 I HA 0.232 4.402 4.170 0.000 0.000 0.291 421 I C -1.735 174.288 176.117 -0.156 0.000 1.033 421 I CA -3.252 57.829 61.300 -0.364 0.000 1.253 421 I CB 0.878 38.631 38.000 -0.412 0.000 1.396 421 I HN 0.110 nan 8.210 nan 0.000 0.476 422 P HA 0.173 nan 4.420 nan 0.000 0.274 422 P C 0.527 177.738 177.300 -0.149 0.000 1.237 422 P CA -0.039 62.812 63.100 -0.415 0.000 0.793 422 P CB 0.938 31.981 31.700 -1.096 0.000 0.977 423 T N -4.054 110.516 114.554 0.027 0.000 3.001 423 T HA 0.026 4.376 4.350 0.000 0.000 0.251 423 T C 0.478 175.214 174.700 0.060 0.000 1.040 423 T CA -0.066 62.110 62.100 0.125 0.000 0.985 423 T CB -0.521 68.481 68.868 0.222 0.000 1.011 423 T HN 0.394 nan 8.240 nan 0.000 0.509 424 D N 2.957 123.367 120.400 0.018 0.000 2.896 424 D HA 0.346 4.986 4.640 0.000 0.000 0.240 424 D C 0.328 176.627 176.300 -0.001 0.000 1.193 424 D CA -0.506 53.522 54.000 0.047 0.000 0.983 424 D CB 0.123 40.987 40.800 0.108 0.000 1.074 424 D HN 0.494 nan 8.370 nan 0.000 0.496 425 V N -3.323 116.545 119.914 -0.076 0.000 3.206 425 V HA 0.564 4.684 4.120 0.000 0.000 0.305 425 V C -1.239 174.758 176.094 -0.162 0.000 1.257 425 V CA -1.169 61.012 62.300 -0.199 0.000 1.057 425 V CB 2.153 33.669 31.823 -0.511 0.000 1.075 425 V HN 0.172 nan 8.190 nan 0.000 0.443 426 Q N 0.839 120.520 119.800 -0.197 0.000 2.347 426 Q HA 0.412 4.752 4.340 0.000 0.000 0.265 426 Q C -1.723 174.203 176.000 -0.123 0.000 1.024 426 Q CA -0.497 55.255 55.803 -0.085 0.000 0.731 426 Q CB 1.401 30.130 28.738 -0.015 0.000 1.245 426 Q HN 0.808 nan 8.270 nan 0.000 0.472 427 W N 2.998 124.329 121.300 0.052 0.000 2.158 427 W HA 0.055 4.715 4.660 0.000 0.000 0.339 427 W C 1.191 177.785 176.519 0.125 0.000 1.294 427 W CA -0.369 57.036 57.345 0.099 0.000 1.231 427 W CB 0.285 29.810 29.460 0.109 0.000 1.143 427 W HN 0.722 nan 8.180 nan 0.000 0.571 428 F N 2.725 122.846 119.950 0.285 0.000 2.115 428 F HA -0.384 4.143 4.527 0.000 0.000 0.300 428 F C 2.194 178.101 175.800 0.178 0.000 1.092 428 F CA 2.511 60.626 58.000 0.191 0.000 1.245 428 F CB -0.088 39.022 39.000 0.183 0.000 0.995 428 F HN 0.411 nan 8.300 nan 0.000 0.481 429 D N -1.071 119.533 120.400 0.340 0.000 2.340 429 D HA 0.112 4.752 4.640 0.000 0.000 0.220 429 D C 1.721 178.084 176.300 0.104 0.000 1.039 429 D CA 0.866 54.977 54.000 0.185 0.000 0.866 429 D CB -0.480 40.465 40.800 0.241 0.000 0.913 429 D HN 0.458 nan 8.370 nan 0.000 0.523 430 G N 0.468 109.357 108.800 0.147 0.000 2.143 430 G HA2 -0.283 3.677 3.960 0.000 0.000 0.249 430 G HA3 -0.283 3.677 3.960 0.000 0.000 0.249 430 G C 0.378 175.351 174.900 0.122 0.000 0.981 430 G CA 0.470 45.639 45.100 0.115 0.000 0.665 430 G HN 0.782 nan 8.290 nan 0.000 0.528 431 S N -0.486 115.291 115.700 0.127 0.000 2.600 431 S HA 0.455 4.925 4.470 0.000 0.000 0.265 431 S C 0.135 174.787 174.600 0.088 0.000 1.325 431 S CA 0.065 58.284 58.200 0.031 0.000 1.002 431 S CB 1.737 64.882 63.200 -0.092 0.000 0.921 431 S HN 0.401 nan 8.310 nan 0.000 0.554 432 D N 1.419 121.838 120.400 0.032 0.000 2.363 432 D HA 0.243 4.883 4.640 0.000 0.000 0.263 432 D C -1.559 174.822 176.300 0.134 0.000 1.258 432 D CA -2.101 51.951 54.000 0.086 0.000 0.907 432 D CB 0.961 41.792 40.800 0.052 0.000 1.107 432 D HN 0.181 nan 8.370 nan 0.000 0.495 433 P HA -0.132 nan 4.420 nan 0.000 0.220 433 P C 1.166 178.660 177.300 0.322 0.000 1.148 433 P CA 0.803 64.138 63.100 0.391 0.000 0.803 433 P CB 0.307 32.231 31.700 0.372 0.000 0.782 434 Q N -0.004 119.955 119.800 0.265 0.000 2.167 434 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 434 Q C 1.824 178.024 176.000 0.333 0.000 0.970 434 Q CA 1.408 57.411 55.803 0.333 0.000 0.855 434 Q CB -0.361 28.514 28.738 0.228 0.000 0.911 434 Q HN 0.420 nan 8.270 nan 0.000 0.438 435 K N -0.695 119.816 120.400 0.184 0.000 2.262 435 K HA 0.129 4.449 4.320 0.000 0.000 0.200 435 K C 1.940 178.584 176.600 0.074 0.000 1.049 435 K CA 0.183 56.531 56.287 0.101 0.000 0.979 435 K CB 0.150 32.635 32.500 -0.025 0.000 0.773 435 K HN 0.076 nan 8.250 nan 0.000 0.474 436 M N 0.331 119.946 119.600 0.026 0.000 2.394 436 M HA -0.105 4.375 4.480 0.000 0.000 0.264 436 M C 1.942 178.269 176.300 0.045 0.000 1.073 436 M CA 1.501 56.745 55.300 -0.094 0.000 1.111 436 M CB -0.811 31.463 32.600 -0.543 0.000 1.401 436 M HN 0.236 nan 8.290 nan 0.000 0.448 437 H N 1.180 120.253 119.070 0.004 0.000 2.289 437 H HA -0.158 4.398 4.556 0.000 0.000 0.296 437 H C 1.735 176.968 175.328 -0.157 0.000 1.091 437 H CA 2.476 58.421 56.048 -0.171 0.000 1.274 437 H CB 0.197 29.582 29.762 -0.627 0.000 1.364 437 H HN 0.308 nan 8.280 nan 0.000 0.490 438 N N -1.065 117.605 118.700 -0.050 0.000 2.290 438 N HA -0.104 4.636 4.740 0.000 0.000 0.179 438 N C 1.811 177.432 175.510 0.185 0.000 1.016 438 N CA 1.190 54.273 53.050 0.056 0.000 0.871 438 N CB -0.501 38.118 38.487 0.220 0.000 0.987 438 N HN 0.511 nan 8.380 nan 0.000 0.431 439 H N -0.298 118.838 119.070 0.110 0.000 2.462 439 H HA -0.033 4.523 4.556 0.000 0.000 0.292 439 H C 1.763 177.195 175.328 0.173 0.000 1.049 439 H CA 0.986 57.121 56.048 0.145 0.000 1.334 439 H CB -0.247 29.541 29.762 0.044 0.000 1.404 439 H HN 0.190 nan 8.280 nan 0.000 0.544 440 Y N 0.610 120.892 120.300 -0.030 0.000 2.096 440 Y HA -0.391 4.159 4.550 0.000 0.000 0.278 440 Y C 2.601 178.552 175.900 0.084 0.000 1.192 440 Y CA 2.259 60.350 58.100 -0.015 0.000 1.143 440 Y CB -0.818 37.642 38.460 -0.000 0.000 0.963 440 Y HN 0.350 nan 8.280 nan 0.000 0.505 441 A N -1.036 121.937 122.820 0.254 0.000 1.978 441 A HA -0.273 4.047 4.320 0.000 0.000 0.220 441 A C 2.108 179.761 177.584 0.115 0.000 1.170 441 A CA 1.797 53.984 52.037 0.249 0.000 0.636 441 A CB -1.450 17.698 19.000 0.246 0.000 0.810 441 A HN 0.762 nan 8.150 nan 0.000 0.448 442 Y N 0.234 120.482 120.300 -0.086 0.000 2.184 442 Y HA -0.136 4.414 4.550 0.000 0.000 0.290 442 Y C 2.044 177.803 175.900 -0.234 0.000 1.129 442 Y CA 1.555 59.582 58.100 -0.122 0.000 1.144 442 Y CB -0.051 38.260 38.460 -0.248 0.000 0.995 442 Y HN 0.215 nan 8.280 nan 0.000 0.513 443 I N 0.066 120.480 120.570 -0.261 0.000 2.252 443 I HA -0.322 3.848 4.170 0.000 0.000 0.245 443 I C 2.370 178.193 176.117 -0.489 0.000 1.102 443 I CA 1.655 62.759 61.300 -0.327 0.000 1.385 443 I CB -1.667 36.192 38.000 -0.235 0.000 1.064 443 I HN 0.425 nan 8.210 nan 0.000 0.414 444 Y N 2.358 122.276 120.300 -0.637 0.000 2.053 444 Y HA -0.336 4.214 4.550 0.000 0.000 0.277 444 Y C 2.596 178.145 175.900 -0.586 0.000 1.159 444 Y CA 1.900 59.572 58.100 -0.712 0.000 1.125 444 Y CB -0.153 38.080 38.460 -0.379 0.000 0.969 444 Y HN 0.213 nan 8.280 nan 0.000 0.492 445 N N 0.486 118.797 118.700 -0.648 0.000 2.188 445 N HA -0.217 4.523 4.740 0.000 0.000 0.184 445 N C 1.810 176.772 175.510 -0.913 0.000 1.018 445 N CA 1.531 54.146 53.050 -0.724 0.000 0.858 445 N CB -0.372 37.870 38.487 -0.409 0.000 0.989 445 N HN 0.608 nan 8.380 nan 0.000 0.426 446 E N 1.412 120.917 120.200 -1.158 0.000 2.085 446 E HA -0.159 4.191 4.350 0.000 0.000 0.194 446 E C 2.208 178.370 176.600 -0.730 0.000 0.994 446 E CA 0.608 56.171 56.400 -1.396 0.000 0.801 446 E CB -0.107 29.002 29.700 -0.986 0.000 0.743 446 E HN 0.253 nan 8.360 nan 0.000 0.453 447 L N 0.411 121.271 121.223 -0.604 0.000 2.042 447 L HA -0.195 4.145 4.340 0.000 0.000 0.210 447 L C 2.307 178.968 176.870 -0.348 0.000 1.076 447 L CA 1.277 55.837 54.840 -0.466 0.000 0.749 447 L CB -0.124 41.541 42.059 -0.656 0.000 0.893 447 L HN 0.099 nan 8.230 nan 0.000 0.432 448 V N -0.986 118.708 119.914 -0.366 0.000 2.379 448 V HA -0.286 3.834 4.120 0.000 0.000 0.245 448 V C 2.098 178.122 176.094 -0.117 0.000 1.044 448 V CA 1.937 64.099 62.300 -0.229 0.000 1.036 448 V CB -0.824 30.849 31.823 -0.251 0.000 0.664 448 V HN 0.700 nan 8.190 nan 0.000 0.453 449 W N 1.501 122.571 121.300 -0.384 0.000 2.318 449 W HA -0.248 4.412 4.660 0.000 0.000 0.313 449 W C 2.235 178.642 176.519 -0.188 0.000 1.221 449 W CA 2.152 59.326 57.345 -0.285 0.000 1.266 449 W CB -0.381 28.775 29.460 -0.507 0.000 1.150 449 W HN 0.343 nan 8.180 nan 0.000 0.496 450 N N 0.404 119.062 118.700 -0.070 0.000 2.289 450 N HA -0.153 4.587 4.740 0.000 0.000 0.184 450 N C 1.698 177.130 175.510 -0.129 0.000 1.016 450 N CA 1.568 54.567 53.050 -0.086 0.000 0.872 450 N CB -0.836 37.605 38.487 -0.077 0.000 0.973 450 N HN 0.045 nan 8.380 nan 0.000 0.433 451 V N 0.904 120.739 119.914 -0.131 0.000 2.295 451 V HA -0.181 3.939 4.120 0.000 0.000 0.246 451 V C 2.189 178.223 176.094 -0.100 0.000 1.049 451 V CA 1.103 63.343 62.300 -0.100 0.000 1.024 451 V CB -0.377 31.396 31.823 -0.083 0.000 0.648 451 V HN 0.169 nan 8.190 nan 0.000 0.447 452 L N 0.159 121.299 121.223 -0.137 0.000 2.046 452 L HA -0.176 4.164 4.340 0.000 0.000 0.208 452 L C 2.386 179.110 176.870 -0.242 0.000 1.077 452 L CA 2.089 56.812 54.840 -0.196 0.000 0.747 452 L CB -1.166 40.714 42.059 -0.298 0.000 0.896 452 L HN 0.386 nan 8.230 nan 0.000 0.432 453 K N -0.560 119.652 120.400 -0.314 0.000 2.148 453 K HA -0.151 4.169 4.320 0.000 0.000 0.204 453 K C 1.086 177.613 176.600 -0.120 0.000 1.050 453 K CA 1.460 57.605 56.287 -0.236 0.000 0.942 453 K CB 0.037 32.410 32.500 -0.212 0.000 0.724 453 K HN 0.240 nan 8.250 nan 0.000 0.446 454 D N -0.271 120.067 120.400 -0.103 0.000 2.340 454 D HA -0.030 4.610 4.640 0.000 0.000 0.220 454 D C 1.203 177.463 176.300 -0.066 0.000 1.039 454 D CA 1.047 55.006 54.000 -0.069 0.000 0.866 454 D CB 0.799 41.562 40.800 -0.061 0.000 0.913 454 D HN 0.514 nan 8.370 nan 0.000 0.523 455 T N -2.832 111.675 114.554 -0.078 0.000 3.429 455 T HA -0.008 4.342 4.350 0.000 0.000 0.212 455 T C 1.957 176.617 174.700 -0.067 0.000 0.980 455 T CA 0.643 62.703 62.100 -0.067 0.000 1.201 455 T CB -0.651 68.179 68.868 -0.064 0.000 1.289 455 T HN -0.080 nan 8.240 nan 0.000 0.346 456 V N 0.393 120.261 119.914 -0.078 0.000 2.667 456 V HA 0.533 4.653 4.120 0.000 0.000 0.252 456 V C 1.395 177.456 176.094 -0.054 0.000 1.065 456 V CA 0.614 62.875 62.300 -0.065 0.000 1.083 456 V CB -1.594 30.190 31.823 -0.065 0.000 0.692 456 V HN 1.461 nan 8.190 nan 0.000 0.468 457 G N -0.061 108.692 108.800 -0.079 0.000 2.629 457 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 457 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 457 G C 0.045 174.882 174.900 -0.105 0.000 1.232 457 G CA 0.172 45.230 45.100 -0.069 0.000 0.803 457 G HN 0.476 nan 8.290 nan 0.000 0.638 458 E N -0.048 120.101 120.200 -0.085 0.000 2.077 458 E HA -0.142 4.208 4.350 0.000 0.000 0.193 458 E C 2.175 178.747 176.600 -0.046 0.000 0.989 458 E CA 1.799 58.141 56.400 -0.096 0.000 0.800 458 E CB -0.081 29.633 29.700 0.023 0.000 0.746 458 E HN 0.735 nan 8.360 nan 0.000 0.452 459 E N 0.194 120.400 120.200 0.010 0.000 2.209 459 E HA -0.194 4.156 4.350 0.000 0.000 0.196 459 E C 1.526 178.150 176.600 0.041 0.000 0.993 459 E CA 0.867 57.297 56.400 0.049 0.000 0.819 459 E CB -0.028 29.709 29.700 0.063 0.000 0.745 459 E HN 0.246 nan 8.360 nan 0.000 0.477 460 E N 0.318 120.531 120.200 0.021 0.000 2.474 460 E HA 0.176 4.526 4.350 0.000 0.000 0.195 460 E C 0.151 176.759 176.600 0.013 0.000 1.039 460 E CA 0.051 56.509 56.400 0.096 0.000 0.881 460 E CB 0.544 30.324 29.700 0.134 0.000 0.970 460 E HN 0.179 nan 8.360 nan 0.000 0.486 461 A N 1.175 123.877 122.820 -0.197 0.000 2.363 461 A HA 0.459 4.779 4.320 0.000 0.000 0.270 461 A C -0.137 177.260 177.584 -0.312 0.000 1.121 461 A CA -0.233 51.529 52.037 -0.460 0.000 0.800 461 A CB 0.882 19.191 19.000 -1.151 0.000 1.052 461 A HN 0.020 nan 8.150 nan 0.000 0.493 462 V N 3.689 123.534 119.914 -0.115 0.000 3.098 462 V HA 0.595 4.715 4.120 0.000 0.000 0.294 462 V C -1.324 174.894 176.094 0.208 0.000 1.351 462 V CA -0.520 61.848 62.300 0.113 0.000 0.999 462 V CB 1.940 33.765 31.823 0.003 0.000 1.104 462 V HN 0.907 nan 8.190 nan 0.000 0.438 463 L N 4.093 125.461 121.223 0.241 0.000 2.303 463 L HA 0.683 5.023 4.340 0.000 0.000 0.256 463 L C -1.577 175.398 176.870 0.174 0.000 1.034 463 L CA -0.691 54.266 54.840 0.195 0.000 0.832 463 L CB 2.379 44.506 42.059 0.114 0.000 1.403 463 L HN 0.532 nan 8.230 nan 0.000 0.419 464 F N 1.185 121.011 119.950 -0.207 0.000 2.382 464 F HA 0.623 5.150 4.527 0.000 0.000 0.361 464 F C 0.201 175.820 175.800 -0.302 0.000 1.109 464 F CA -0.863 56.915 58.000 -0.371 0.000 1.031 464 F CB 1.562 40.189 39.000 -0.621 0.000 1.234 464 F HN 0.338 nan 8.300 nan 0.000 0.445 465 A N 4.732 127.431 122.820 -0.202 0.000 2.303 465 A HA 0.561 4.881 4.320 0.000 0.000 0.320 465 A C 1.051 178.618 177.584 -0.028 0.000 1.192 465 A CA -0.617 51.313 52.037 -0.180 0.000 0.821 465 A CB 0.956 19.744 19.000 -0.354 0.000 1.188 465 A HN 0.871 nan 8.150 nan 0.000 0.492 466 R N 1.360 121.865 120.500 0.008 0.000 2.140 466 R HA 0.108 4.448 4.340 0.000 0.000 0.213 466 R C 0.682 176.982 176.300 0.000 0.000 1.059 466 R CA 1.211 57.305 56.100 -0.009 0.000 1.000 466 R CB 0.142 30.361 30.300 -0.134 0.000 0.910 466 R HN 0.642 nan 8.270 nan 0.000 0.455 467 S N -1.236 114.529 115.700 0.108 0.000 2.648 467 S HA 0.815 5.285 4.470 0.000 0.000 0.305 467 S C -1.411 173.318 174.600 0.216 0.000 1.094 467 S CA -0.347 57.965 58.200 0.187 0.000 0.983 467 S CB 1.914 65.254 63.200 0.233 0.000 1.101 467 S HN 0.348 nan 8.310 nan 0.000 0.514 468 A N 1.265 124.203 122.820 0.197 0.000 2.599 468 A HA 0.859 5.179 4.320 0.000 0.000 0.290 468 A C -0.716 177.002 177.584 0.224 0.000 1.101 468 A CA -0.512 51.659 52.037 0.222 0.000 0.674 468 A CB 1.269 20.315 19.000 0.076 0.000 1.277 468 A HN 0.932 nan 8.150 nan 0.000 0.419 469 S N -1.218 114.657 115.700 0.292 0.000 2.672 469 S HA 0.581 5.051 4.470 0.000 0.000 0.271 469 S C -1.027 173.698 174.600 0.208 0.000 1.171 469 S CA -0.181 58.182 58.200 0.272 0.000 0.817 469 S CB 1.161 64.555 63.200 0.322 0.000 1.150 469 S HN 1.521 nan 8.310 nan 0.000 0.478 470 V N 2.731 122.640 119.914 -0.009 0.000 2.584 470 V HA 0.382 4.502 4.120 0.000 0.000 0.303 470 V C 1.790 177.722 176.094 -0.271 0.000 1.035 470 V CA 1.964 64.073 62.300 -0.318 0.000 1.172 470 V CB -0.174 31.013 31.823 -1.062 0.000 0.896 470 V HN 1.554 nan 8.190 nan 0.000 0.486 471 G N 4.248 112.865 108.800 -0.306 0.000 2.258 471 G HA2 -0.214 3.746 3.960 0.000 0.000 0.233 471 G HA3 -0.214 3.746 3.960 0.000 0.000 0.233 471 G C 0.956 175.774 174.900 -0.138 0.000 1.006 471 G CA 0.274 45.221 45.100 -0.255 0.000 0.620 471 G HN 1.380 nan 8.290 nan 0.000 0.511 472 A N 1.045 123.897 122.820 0.053 0.000 2.168 472 A HA 0.187 4.507 4.320 0.000 0.000 0.215 472 A C 2.186 179.648 177.584 -0.204 0.000 1.152 472 A CA 2.025 54.100 52.037 0.063 0.000 0.716 472 A CB -0.366 18.874 19.000 0.401 0.000 0.794 472 A HN 0.956 nan 8.150 nan 0.000 0.465 473 Q N 0.700 120.085 119.800 -0.691 0.000 2.439 473 Q HA -0.154 4.186 4.340 0.000 0.000 0.211 473 Q C 0.970 176.629 176.000 -0.569 0.000 0.978 473 Q CA 1.551 56.832 55.803 -0.870 0.000 0.897 473 Q CB -0.482 27.398 28.738 -1.429 0.000 0.956 473 Q HN 0.654 nan 8.270 nan 0.000 0.483 474 K N 0.114 120.009 120.400 -0.842 0.000 2.439 474 K HA 0.023 4.343 4.320 0.000 0.000 0.197 474 K C -0.378 175.470 176.600 -1.253 0.000 1.041 474 K CA 0.390 56.067 56.287 -1.016 0.000 0.970 474 K CB 0.162 31.930 32.500 -1.219 0.000 0.773 474 K HN 0.153 nan 8.250 nan 0.000 0.479 475 F N 1.626 121.161 119.950 -0.691 0.000 2.471 475 F HA 0.282 4.809 4.527 0.000 0.000 0.318 475 F C -2.329 173.198 175.800 -0.454 0.000 1.308 475 F CA -3.619 53.738 58.000 -1.072 0.000 1.162 475 F CB 0.202 38.780 39.000 -0.704 0.000 1.383 475 F HN -0.167 nan 8.300 nan 0.000 0.552 476 P HA 0.240 nan 4.420 nan 0.000 0.274 476 P C -0.317 176.943 177.300 -0.068 0.000 1.246 476 P CA -0.095 62.976 63.100 -0.049 0.000 0.795 476 P CB 2.416 34.117 31.700 0.003 0.000 1.006 477 V N 1.620 121.388 119.914 -0.243 0.000 2.815 477 V HA 0.276 4.396 4.120 0.000 0.000 0.314 477 V C -0.066 175.749 176.094 -0.466 0.000 1.064 477 V CA -0.609 61.482 62.300 -0.349 0.000 0.952 477 V CB 1.205 32.599 31.823 -0.714 0.000 1.020 477 V HN 0.552 nan 8.190 nan 0.000 0.439 478 H N 1.751 120.754 119.070 -0.112 0.000 2.502 478 H HA 0.367 4.923 4.556 0.000 0.000 0.327 478 H C -1.033 174.172 175.328 -0.205 0.000 1.099 478 H CA 0.065 56.071 56.048 -0.071 0.000 1.323 478 H CB 0.860 30.642 29.762 0.034 0.000 1.450 478 H HN 0.725 nan 8.280 nan 0.000 0.502 479 W N 3.641 124.717 121.300 -0.374 0.000 2.532 479 W HA 0.408 5.068 4.660 0.000 0.000 0.321 479 W C 0.812 177.147 176.519 -0.306 0.000 1.037 479 W CA -0.953 56.044 57.345 -0.581 0.000 1.220 479 W CB 1.206 30.292 29.460 -0.623 0.000 1.361 479 W HN 0.740 nan 8.180 nan 0.000 0.468 480 G N 3.460 111.704 108.800 -0.928 0.000 2.586 480 G HA2 0.287 4.247 3.960 0.000 0.000 0.215 480 G HA3 0.287 4.247 3.960 0.000 0.000 0.215 480 G C 0.728 175.274 174.900 -0.591 0.000 1.128 480 G CA 0.805 45.693 45.100 -0.354 0.000 0.774 480 G HN 1.452 nan 8.290 nan 0.000 0.543 481 G N -0.392 107.373 108.800 -1.726 0.000 2.610 481 G HA2 -0.141 3.819 3.960 0.000 0.000 0.304 481 G HA3 -0.141 3.819 3.960 0.000 0.000 0.304 481 G C -1.045 173.306 174.900 -0.915 0.000 1.309 481 G CA -0.302 43.978 45.100 -1.366 0.000 0.906 481 G HN 0.196 nan 8.290 nan 0.000 0.521 482 D N 0.160 120.329 120.400 -0.384 0.000 2.317 482 D HA 0.475 5.115 4.640 0.000 0.000 0.252 482 D C 0.105 176.328 176.300 -0.129 0.000 1.174 482 D CA 0.417 54.286 54.000 -0.218 0.000 0.866 482 D CB 1.016 41.741 40.800 -0.124 0.000 1.127 482 D HN 0.608 nan 8.370 nan 0.000 0.467 483 C N 2.497 121.771 119.300 -0.043 0.000 2.561 483 C HA 0.353 4.813 4.460 0.000 0.000 0.319 483 C C -0.127 174.886 174.990 0.038 0.000 1.198 483 C CA -0.909 58.137 59.018 0.047 0.000 1.665 483 C CB 0.433 28.330 27.740 0.262 0.000 2.258 483 C HN 0.500 nan 8.230 nan 0.000 0.493 484 Y N 0.708 121.144 120.300 0.226 0.000 2.326 484 Y HA 0.375 4.925 4.550 0.000 0.000 0.333 484 Y C 0.974 177.038 175.900 0.275 0.000 1.240 484 Y CA -0.036 58.191 58.100 0.211 0.000 1.365 484 Y CB 0.501 39.061 38.460 0.168 0.000 1.289 484 Y HN 0.767 nan 8.280 nan 0.000 0.548 485 A N 3.620 126.666 122.820 0.375 0.000 3.056 485 A HA 0.345 4.665 4.320 0.000 0.000 0.274 485 A C -0.492 177.243 177.584 0.251 0.000 1.661 485 A CA -0.258 51.956 52.037 0.294 0.000 1.363 485 A CB -1.674 17.420 19.000 0.157 0.000 1.139 485 A HN 0.827 nan 8.150 nan 0.000 0.598 486 N N -2.160 116.732 118.700 0.321 0.000 2.708 486 N HA 0.379 5.119 4.740 0.000 0.000 0.257 486 N C -0.151 175.427 175.510 0.113 0.000 1.373 486 N CA -0.784 52.334 53.050 0.113 0.000 0.843 486 N CB 0.343 38.912 38.487 0.137 0.000 1.503 486 N HN -0.063 nan 8.380 nan 0.000 0.504 487 Y N -0.065 120.381 120.300 0.243 0.000 2.224 487 Y HA -0.038 4.512 4.550 0.000 0.000 0.289 487 Y C 1.672 177.674 175.900 0.171 0.000 1.146 487 Y CA 1.325 59.566 58.100 0.236 0.000 1.182 487 Y CB -0.386 38.241 38.460 0.278 0.000 0.983 487 Y HN 0.669 nan 8.280 nan 0.000 0.524 488 E N -0.492 119.867 120.200 0.265 0.000 2.058 488 E HA -0.209 4.141 4.350 0.000 0.000 0.194 488 E C 2.490 179.171 176.600 0.134 0.000 0.997 488 E CA 1.642 58.128 56.400 0.143 0.000 0.801 488 E CB -0.596 29.174 29.700 0.116 0.000 0.746 488 E HN 0.217 nan 8.360 nan 0.000 0.450 489 S N -0.482 115.330 115.700 0.186 0.000 2.383 489 S HA -0.121 4.349 4.470 0.000 0.000 0.227 489 S C 1.890 176.581 174.600 0.151 0.000 1.026 489 S CA 1.218 59.553 58.200 0.224 0.000 0.981 489 S CB -0.177 63.244 63.200 0.369 0.000 0.818 489 S HN 0.297 nan 8.310 nan 0.000 0.472 490 M N 0.769 120.340 119.600 -0.049 0.000 2.175 490 M HA -0.039 4.441 4.480 0.000 0.000 0.264 490 M C 2.094 178.438 176.300 0.073 0.000 1.063 490 M CA 1.596 56.623 55.300 -0.455 0.000 1.119 490 M CB -0.430 31.725 32.600 -0.741 0.000 1.377 490 M HN 0.459 nan 8.290 nan 0.000 0.415 491 A N 1.090 123.995 122.820 0.143 0.000 1.898 491 A HA -0.210 4.110 4.320 0.000 0.000 0.216 491 A C 1.913 179.515 177.584 0.031 0.000 1.181 491 A CA 1.841 53.859 52.037 -0.031 0.000 0.620 491 A CB -0.940 17.857 19.000 -0.338 0.000 0.819 491 A HN 0.777 nan 8.150 nan 0.000 0.442 492 E N -0.204 120.050 120.200 0.089 0.000 2.204 492 E HA -0.115 4.235 4.350 0.000 0.000 0.194 492 E C 1.891 178.675 176.600 0.306 0.000 0.989 492 E CA 1.415 57.916 56.400 0.168 0.000 0.824 492 E CB -0.439 29.360 29.700 0.166 0.000 0.756 492 E HN 0.438 nan 8.360 nan 0.000 0.477 493 S N 1.255 117.134 115.700 0.299 0.000 2.368 493 S HA -0.128 4.342 4.470 0.000 0.000 0.225 493 S C 1.871 176.680 174.600 0.349 0.000 1.030 493 S CA 1.150 59.619 58.200 0.447 0.000 0.999 493 S CB -0.332 63.170 63.200 0.504 0.000 0.844 493 S HN 0.259 nan 8.310 nan 0.000 0.459 494 L N 2.328 123.710 121.223 0.264 0.000 2.083 494 L HA -0.021 4.319 4.340 0.000 0.000 0.209 494 L C 2.149 178.927 176.870 -0.152 0.000 1.083 494 L CA 1.616 56.501 54.840 0.074 0.000 0.752 494 L CB -0.538 41.511 42.059 -0.015 0.000 0.899 494 L HN 0.118 nan 8.230 nan 0.000 0.433 495 R N -0.350 120.110 120.500 -0.067 0.000 2.096 495 R HA -0.148 4.192 4.340 0.000 0.000 0.240 495 R C 2.228 178.366 176.300 -0.269 0.000 1.139 495 R CA 1.360 57.386 56.100 -0.124 0.000 0.952 495 R CB -1.214 29.060 30.300 -0.043 0.000 0.854 495 R HN 0.592 nan 8.270 nan 0.000 0.436 496 G N 0.392 109.039 108.800 -0.256 0.000 2.446 496 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 496 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 496 G C 1.536 175.940 174.900 -0.826 0.000 1.168 496 G CA 0.951 45.720 45.100 -0.552 0.000 0.771 496 G HN 0.469 nan 8.290 nan 0.000 0.551 497 G N 0.967 108.979 108.800 -1.313 0.000 2.459 497 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 497 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 497 G C 1.834 176.142 174.900 -0.987 0.000 1.183 497 G CA 0.904 44.733 45.100 -2.117 0.000 0.776 497 G HN 0.423 nan 8.290 nan 0.000 0.552 498 L N 0.669 121.526 121.223 -0.610 0.000 2.046 498 L HA -0.105 4.235 4.340 0.000 0.000 0.208 498 L C 3.242 179.935 176.870 -0.294 0.000 1.077 498 L CA 1.299 55.929 54.840 -0.351 0.000 0.747 498 L CB -0.514 41.418 42.059 -0.211 0.000 0.896 498 L HN 0.182 nan 8.230 nan 0.000 0.432 499 S N 0.066 115.574 115.700 -0.320 0.000 2.370 499 S HA -0.225 4.246 4.470 0.000 0.000 0.226 499 S C 1.980 176.425 174.600 -0.258 0.000 1.033 499 S CA 1.526 59.568 58.200 -0.263 0.000 1.011 499 S CB -0.352 62.660 63.200 -0.313 0.000 0.852 499 S HN 0.341 nan 8.310 nan 0.000 0.457 500 I N 1.144 121.494 120.570 -0.367 0.000 2.394 500 I HA -0.126 4.044 4.170 0.000 0.000 0.251 500 I C 2.205 178.268 176.117 -0.091 0.000 1.136 500 I CA 1.064 62.188 61.300 -0.293 0.000 1.425 500 I CB -0.411 37.336 38.000 -0.421 0.000 1.079 500 I HN 0.392 nan 8.210 nan 0.000 0.425 501 G N 0.284 108.997 108.800 -0.146 0.000 2.511 501 G HA2 -0.115 3.845 3.960 0.000 0.000 0.217 501 G HA3 -0.115 3.845 3.960 0.000 0.000 0.217 501 G C 1.492 176.353 174.900 -0.065 0.000 1.133 501 G CA 0.032 45.084 45.100 -0.081 0.000 0.792 501 G HN 0.355 nan 8.290 nan 0.000 0.539 502 L N 0.964 122.140 121.223 -0.079 0.000 2.610 502 L HA 0.118 4.458 4.340 0.000 0.000 0.232 502 L C 1.534 178.437 176.870 0.055 0.000 1.149 502 L CA 0.347 55.164 54.840 -0.039 0.000 0.872 502 L CB 0.385 42.410 42.059 -0.056 0.000 0.992 502 L HN 0.088 nan 8.230 nan 0.000 0.447 503 S N -1.000 114.734 115.700 0.057 0.000 2.749 503 S HA 0.376 4.846 4.470 0.000 0.000 0.246 503 S C 1.101 175.747 174.600 0.077 0.000 1.023 503 S CA 0.356 58.620 58.200 0.107 0.000 1.012 503 S CB 1.255 64.530 63.200 0.125 0.000 0.942 503 S HN 0.478 nan 8.310 nan 0.000 0.531 504 G N 1.287 110.096 108.800 0.015 0.000 2.179 504 G HA2 -0.208 3.752 3.960 0.000 0.000 0.220 504 G HA3 -0.208 3.752 3.960 0.000 0.000 0.220 504 G C -0.186 174.531 174.900 -0.305 0.000 0.990 504 G CA -0.697 44.343 45.100 -0.100 0.000 0.646 504 G HN 0.431 nan 8.290 nan 0.000 0.517 505 F N 1.076 120.932 119.950 -0.156 0.000 2.410 505 F HA 0.561 5.088 4.527 0.000 0.000 0.349 505 F C 1.584 177.283 175.800 -0.169 0.000 1.117 505 F CA 0.217 58.120 58.000 -0.161 0.000 1.104 505 F CB 1.920 40.806 39.000 -0.189 0.000 1.122 505 F HN 0.006 nan 8.300 nan 0.000 0.483 506 G N 2.951 111.678 108.800 -0.122 0.000 2.683 506 G HA2 0.084 4.044 3.960 0.000 0.000 0.213 506 G HA3 0.084 4.044 3.960 0.000 0.000 0.213 506 G C -0.211 174.201 174.900 -0.814 0.000 1.142 506 G CA 0.362 45.155 45.100 -0.512 0.000 0.793 506 G HN 0.387 nan 8.290 nan 0.000 0.534 507 F N -2.208 117.834 119.950 0.152 0.000 2.591 507 F HA 0.628 5.155 4.527 0.000 0.000 0.309 507 F C -1.229 174.701 175.800 0.217 0.000 1.098 507 F CA -1.546 56.550 58.000 0.160 0.000 0.937 507 F CB 1.950 40.962 39.000 0.020 0.000 1.250 507 F HN -0.005 nan 8.300 nan 0.000 0.447 508 W N 2.916 124.299 121.300 0.139 0.000 3.132 508 W HA 0.616 5.276 4.660 0.000 0.000 0.337 508 W C -1.265 175.252 176.519 -0.003 0.000 1.082 508 W CA -1.001 56.348 57.345 0.008 0.000 1.242 508 W CB 1.770 31.213 29.460 -0.029 0.000 1.354 508 W HN 0.601 nan 8.180 nan 0.000 0.461 509 S N 3.698 118.965 115.700 -0.720 0.000 2.690 509 S HA 0.922 5.392 4.470 0.000 0.000 0.291 509 S C -0.736 173.237 174.600 -1.045 0.000 1.138 509 S CA -0.337 57.388 58.200 -0.791 0.000 1.013 509 S CB 1.973 64.493 63.200 -1.133 0.000 1.053 509 S HN 0.780 nan 8.310 nan 0.000 0.539 510 H N -2.069 116.502 119.070 -0.832 0.000 2.967 510 H HA 0.648 5.204 4.556 0.000 0.000 0.318 510 H C -2.192 172.989 175.328 -0.245 0.000 1.375 510 H CA -1.089 54.534 56.048 -0.708 0.000 1.132 510 H CB 0.488 29.712 29.762 -0.895 0.000 1.848 510 H HN 0.437 nan 8.280 nan 0.000 0.524 511 D N 1.068 121.389 120.400 -0.132 0.000 2.280 511 D HA 0.286 4.926 4.640 0.000 0.000 0.236 511 D C -0.086 175.936 176.300 -0.463 0.000 1.082 511 D CA -0.363 53.555 54.000 -0.137 0.000 0.834 511 D CB 1.540 42.393 40.800 0.088 0.000 1.100 511 D HN 0.413 nan 8.370 nan 0.000 0.486 512 I N 1.579 121.847 120.570 -0.504 0.000 2.533 512 I HA 0.201 4.371 4.170 0.000 0.000 0.284 512 I C 1.591 177.200 176.117 -0.846 0.000 1.109 512 I CA 0.523 61.362 61.300 -0.768 0.000 1.412 512 I CB 0.562 38.279 38.000 -0.472 0.000 1.396 512 I HN 0.689 nan 8.210 nan 0.000 0.543 513 G N 3.792 111.781 108.800 -1.352 0.000 2.176 513 G HA2 -0.108 3.852 3.960 0.000 0.000 0.253 513 G HA3 -0.108 3.852 3.960 0.000 0.000 0.253 513 G C 0.744 175.172 174.900 -0.786 0.000 0.979 513 G CA 0.083 44.743 45.100 -0.733 0.000 0.641 513 G HN 1.456 nan 8.290 nan 0.000 0.530 514 G N -0.994 107.082 108.800 -1.207 0.000 2.575 514 G HA2 -0.066 3.894 3.960 0.000 0.000 0.267 514 G HA3 -0.066 3.894 3.960 0.000 0.000 0.267 514 G C 0.589 175.462 174.900 -0.046 0.000 1.264 514 G CA 0.665 45.483 45.100 -0.470 0.000 0.935 514 G HN 1.393 nan 8.290 nan 0.000 0.568 515 F N 0.490 120.376 119.950 -0.105 0.000 2.592 515 F HA 0.374 4.901 4.527 0.000 0.000 0.280 515 F C 1.469 177.259 175.800 -0.017 0.000 1.083 515 F CA 0.629 58.606 58.000 -0.039 0.000 1.365 515 F CB 0.251 39.260 39.000 0.015 0.000 1.100 515 F HN 0.641 nan 8.300 nan 0.000 0.633 516 E N 2.500 122.693 120.200 -0.010 0.000 2.820 516 E HA -0.169 4.181 4.350 0.000 0.000 0.251 516 E C 0.910 177.483 176.600 -0.045 0.000 0.944 516 E CA 0.281 56.667 56.400 -0.022 0.000 0.955 516 E CB 0.359 30.162 29.700 0.172 0.000 0.904 516 E HN 0.500 nan 8.360 nan 0.000 0.513 517 N N 3.022 121.663 118.700 -0.097 0.000 2.223 517 N HA -0.116 4.624 4.740 0.000 0.000 0.185 517 N C -0.082 175.405 175.510 -0.040 0.000 1.016 517 N CA 0.987 53.975 53.050 -0.104 0.000 0.863 517 N CB -0.165 38.250 38.487 -0.119 0.000 0.983 517 N HN 0.222 nan 8.380 nan 0.000 0.429 518 T N 0.842 115.399 114.554 0.006 0.000 2.853 518 T HA 0.645 4.995 4.350 0.000 0.000 0.317 518 T C -0.060 174.696 174.700 0.094 0.000 1.059 518 T CA -0.750 61.375 62.100 0.042 0.000 0.954 518 T CB 1.246 70.135 68.868 0.035 0.000 0.994 518 T HN 0.397 nan 8.240 nan 0.000 0.479 519 A N 5.014 127.926 122.820 0.152 0.000 2.310 519 A HA 0.746 5.066 4.320 0.000 0.000 0.299 519 A C -2.365 175.291 177.584 0.121 0.000 1.147 519 A CA -1.789 50.325 52.037 0.128 0.000 0.818 519 A CB 0.007 19.083 19.000 0.128 0.000 1.096 519 A HN 0.465 nan 8.150 nan 0.000 0.495 520 P HA 0.273 nan 4.420 nan 0.000 0.271 520 P C 0.793 177.979 177.300 -0.190 0.000 1.218 520 P CA 0.316 63.376 63.100 -0.066 0.000 0.780 520 P CB 0.916 32.483 31.700 -0.222 0.000 0.901 521 A N 2.674 125.449 122.820 -0.075 0.000 1.940 521 A HA -0.252 4.068 4.320 0.000 0.000 0.219 521 A C 1.902 179.362 177.584 -0.206 0.000 1.176 521 A CA 2.188 54.067 52.037 -0.264 0.000 0.631 521 A CB -1.832 17.143 19.000 -0.040 0.000 0.814 521 A HN 0.842 nan 8.150 nan 0.000 0.446 522 H N -1.699 117.352 119.070 -0.032 0.000 2.353 522 H HA -0.025 4.531 4.556 0.000 0.000 0.300 522 H C 1.599 177.096 175.328 0.282 0.000 1.090 522 H CA 1.413 57.536 56.048 0.126 0.000 1.327 522 H CB -0.806 29.224 29.762 0.445 0.000 1.383 522 H HN 0.113 nan 8.280 nan 0.000 0.508 523 V N 0.612 120.342 119.914 -0.308 0.000 2.343 523 V HA -0.291 3.829 4.120 0.000 0.000 0.247 523 V C 2.333 178.508 176.094 0.134 0.000 1.051 523 V CA 2.087 64.277 62.300 -0.183 0.000 1.036 523 V CB -0.928 30.668 31.823 -0.377 0.000 0.654 523 V HN 0.505 nan 8.190 nan 0.000 0.451 524 Y N 1.004 121.207 120.300 -0.160 0.000 2.224 524 Y HA -0.246 4.304 4.550 0.000 0.000 0.289 524 Y C 2.493 178.376 175.900 -0.030 0.000 1.146 524 Y CA 1.954 59.943 58.100 -0.185 0.000 1.182 524 Y CB -0.063 38.002 38.460 -0.658 0.000 0.983 524 Y HN 0.144 nan 8.280 nan 0.000 0.524 525 K N -0.243 120.242 120.400 0.142 0.000 2.025 525 K HA -0.141 4.179 4.320 0.000 0.000 0.207 525 K C 2.155 178.919 176.600 0.273 0.000 1.049 525 K CA 1.394 57.785 56.287 0.174 0.000 0.933 525 K CB -0.066 32.443 32.500 0.015 0.000 0.714 525 K HN 0.096 nan 8.250 nan 0.000 0.438 526 R N 0.019 120.753 120.500 0.390 0.000 2.083 526 R HA -0.154 4.186 4.340 0.000 0.000 0.237 526 R C 2.004 178.468 176.300 0.272 0.000 1.137 526 R CA 1.111 57.418 56.100 0.344 0.000 0.951 526 R CB -0.819 29.763 30.300 0.470 0.000 0.851 526 R HN 0.443 nan 8.270 nan 0.000 0.434 527 W N 1.194 122.562 121.300 0.112 0.000 2.402 527 W HA -0.139 4.521 4.660 0.000 0.000 0.286 527 W C 1.998 178.496 176.519 -0.035 0.000 1.221 527 W CA 0.179 57.590 57.345 0.109 0.000 1.257 527 W CB -0.550 28.948 29.460 0.063 0.000 1.120 527 W HN 0.066 nan 8.180 nan 0.000 0.551 528 C N 0.245 119.592 119.300 0.078 0.000 2.413 528 C HA -0.158 4.302 4.460 0.000 0.000 0.276 528 C C 3.064 178.004 174.990 -0.083 0.000 1.248 528 C CA 1.698 60.678 59.018 -0.062 0.000 1.742 528 C CB -1.599 26.103 27.740 -0.063 0.000 2.017 528 C HN 0.358 nan 8.230 nan 0.000 0.481 529 A N 0.210 122.888 122.820 -0.237 0.000 1.898 529 A HA -0.145 4.175 4.320 0.000 0.000 0.216 529 A C 1.964 179.457 177.584 -0.152 0.000 1.181 529 A CA 1.608 53.208 52.037 -0.727 0.000 0.620 529 A CB -0.831 17.656 19.000 -0.855 0.000 0.819 529 A HN 0.500 nan 8.150 nan 0.000 0.442 530 F N 1.544 121.454 119.950 -0.066 0.000 2.069 530 F HA -0.082 4.445 4.527 0.000 0.000 0.298 530 F C 2.275 178.240 175.800 0.276 0.000 1.113 530 F CA 1.410 59.495 58.000 0.141 0.000 1.214 530 F CB -1.144 37.924 39.000 0.113 0.000 0.978 530 F HN 0.178 nan 8.300 nan 0.000 0.474 531 G N 0.925 109.777 108.800 0.087 0.000 2.440 531 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 531 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 531 G C 1.567 176.424 174.900 -0.072 0.000 1.154 531 G CA 0.873 45.828 45.100 -0.241 0.000 0.767 531 G HN 0.368 nan 8.290 nan 0.000 0.552 532 L N -0.131 121.120 121.223 0.046 0.000 2.492 532 L HA 0.248 4.589 4.340 0.000 0.000 0.223 532 L C 1.242 178.238 176.870 0.210 0.000 1.132 532 L CA 0.542 55.463 54.840 0.135 0.000 0.850 532 L CB -0.352 41.827 42.059 0.200 0.000 0.966 532 L HN 0.122 nan 8.230 nan 0.000 0.454 533 L N -0.851 120.524 121.223 0.254 0.000 3.036 533 L HA 0.269 4.609 4.340 0.000 0.000 0.237 533 L C 0.332 177.488 176.870 0.476 0.000 1.319 533 L CA 0.189 55.239 54.840 0.350 0.000 1.112 533 L CB -0.613 41.649 42.059 0.339 0.000 1.480 533 L HN 0.002 nan 8.230 nan 0.000 0.506 534 S N -1.859 114.056 115.700 0.358 0.000 2.634 534 S HA 0.364 4.834 4.470 0.000 0.000 0.296 534 S C 1.119 175.880 174.600 0.269 0.000 1.104 534 S CA -0.021 58.394 58.200 0.358 0.000 0.920 534 S CB 2.003 65.430 63.200 0.379 0.000 1.111 534 S HN 0.365 nan 8.310 nan 0.000 0.493 535 S N 0.774 116.652 115.700 0.298 0.000 2.359 535 S HA -0.114 4.356 4.470 0.000 0.000 0.224 535 S C 0.188 174.681 174.600 -0.178 0.000 1.035 535 S CA 1.275 59.636 58.200 0.269 0.000 1.018 535 S CB -0.480 63.059 63.200 0.565 0.000 0.876 535 S HN 0.770 nan 8.310 nan 0.000 0.448 536 H N -0.305 118.741 119.070 -0.041 0.000 2.717 536 H HA 0.734 5.290 4.556 0.000 0.000 0.366 536 H C -1.196 174.014 175.328 -0.197 0.000 1.132 536 H CA -0.475 55.473 56.048 -0.166 0.000 1.180 536 H CB 2.232 31.788 29.762 -0.344 0.000 1.678 536 H HN 0.170 nan 8.280 nan 0.000 0.537 537 S N 2.169 117.844 115.700 -0.040 0.000 2.736 537 S HA 0.509 4.979 4.470 0.000 0.000 0.285 537 S C -0.747 173.854 174.600 0.001 0.000 1.163 537 S CA -0.886 57.259 58.200 -0.092 0.000 1.025 537 S CB 1.698 64.908 63.200 0.018 0.000 1.030 537 S HN 0.575 nan 8.310 nan 0.000 0.486 538 R N 2.479 122.939 120.500 -0.067 0.000 2.744 538 R HA 0.668 5.008 4.340 0.000 0.000 0.279 538 R C -1.765 174.534 176.300 -0.002 0.000 0.977 538 R CA -0.792 55.322 56.100 0.023 0.000 0.906 538 R CB 1.017 31.315 30.300 -0.003 0.000 1.197 538 R HN 0.609 nan 8.270 nan 0.000 0.463 539 L N 3.710 124.967 121.223 0.057 0.000 2.280 539 L HA 0.451 4.791 4.340 0.000 0.000 0.287 539 L C -0.977 175.949 176.870 0.093 0.000 1.023 539 L CA -0.658 54.215 54.840 0.055 0.000 0.819 539 L CB 1.397 43.513 42.059 0.095 0.000 1.212 539 L HN 0.694 nan 8.230 nan 0.000 0.420 540 H N 2.400 121.460 119.070 -0.017 0.000 3.179 540 H HA 0.568 5.124 4.556 0.000 0.000 0.331 540 H C -0.643 174.753 175.328 0.112 0.000 1.013 540 H CA -0.374 55.674 56.048 -0.001 0.000 1.430 540 H CB 1.377 31.129 29.762 -0.018 0.000 1.895 540 H HN 0.589 nan 8.280 nan 0.000 0.468 541 G N 1.522 110.086 108.800 -0.393 0.000 2.753 541 G HA2 0.370 4.331 3.960 0.000 0.000 0.285 541 G HA3 0.370 4.331 3.960 0.000 0.000 0.285 541 G C 0.204 174.871 174.900 -0.387 0.000 1.344 541 G CA -0.030 44.897 45.100 -0.287 0.000 1.050 541 G HN 0.626 nan 8.290 nan 0.000 0.532 542 S N -1.050 114.405 115.700 -0.409 0.000 2.440 542 S HA 0.094 4.564 4.470 0.000 0.000 0.194 542 S C 1.576 176.063 174.600 -0.188 0.000 0.952 542 S CA 0.860 58.767 58.200 -0.487 0.000 0.898 542 S CB -0.123 62.600 63.200 -0.795 0.000 0.875 542 S HN 0.429 nan 8.310 nan 0.000 0.581 543 K N 1.240 121.526 120.400 -0.190 0.000 2.358 543 K HA 0.294 4.614 4.320 0.000 0.000 0.200 543 K C -0.142 176.397 176.600 -0.102 0.000 1.030 543 K CA 0.099 56.307 56.287 -0.132 0.000 1.097 543 K CB 0.846 33.276 32.500 -0.117 0.000 0.862 543 K HN 0.461 nan 8.250 nan 0.000 0.534 544 S N -0.513 115.110 115.700 -0.128 0.000 2.550 544 S HA 0.337 4.807 4.470 0.000 0.000 0.270 544 S C -0.754 173.745 174.600 -0.169 0.000 1.145 544 S CA -1.024 57.117 58.200 -0.099 0.000 0.852 544 S CB 0.450 63.598 63.200 -0.085 0.000 1.119 544 S HN 0.114 nan 8.310 nan 0.000 0.465 545 Y N 1.264 121.348 120.300 -0.360 0.000 2.811 545 Y HA 0.134 4.685 4.550 0.000 0.000 0.334 545 Y C 1.753 177.446 175.900 -0.345 0.000 1.247 545 Y CA 0.038 57.853 58.100 -0.475 0.000 1.526 545 Y CB 0.520 38.377 38.460 -1.005 0.000 1.284 545 Y HN 0.501 nan 8.280 nan 0.000 0.586 546 R N 3.025 123.461 120.500 -0.107 0.000 3.192 546 R HA 0.091 4.431 4.340 0.000 0.000 0.264 546 R C -0.882 175.453 176.300 0.058 0.000 1.464 546 R CA -0.149 55.962 56.100 0.018 0.000 1.309 546 R CB -1.085 29.274 30.300 0.099 0.000 1.283 546 R HN 0.483 nan 8.270 nan 0.000 0.584 547 V N -1.057 118.734 119.914 -0.205 0.000 2.583 547 V HA 0.243 4.363 4.120 0.000 0.000 0.287 547 V C -1.409 174.421 176.094 -0.439 0.000 1.051 547 V CA -1.575 60.454 62.300 -0.453 0.000 1.010 547 V CB 1.312 32.444 31.823 -1.152 0.000 0.988 547 V HN -0.014 nan 8.190 nan 0.000 0.478 548 P HA -0.074 nan 4.420 nan 0.000 0.220 548 P C 1.140 178.520 177.300 0.133 0.000 1.148 548 P CA 1.555 64.749 63.100 0.158 0.000 0.803 548 P CB -0.131 31.805 31.700 0.393 0.000 0.782 549 W N -0.529 120.833 121.300 0.103 0.000 3.077 549 W HA 0.500 5.160 4.660 0.000 0.000 0.245 549 W C 1.660 178.156 176.519 -0.039 0.000 1.316 549 W CA 0.311 57.685 57.345 0.048 0.000 1.537 549 W CB -1.535 27.956 29.460 0.050 0.000 1.131 549 W HN -0.129 nan 8.180 nan 0.000 0.695 550 A N 0.405 123.009 122.820 -0.361 0.000 1.972 550 A HA -0.086 4.234 4.320 0.000 0.000 0.219 550 A C 1.482 178.762 177.584 -0.506 0.000 1.169 550 A CA 1.384 53.131 52.037 -0.483 0.000 0.635 550 A CB -0.823 17.707 19.000 -0.784 0.000 0.810 550 A HN 0.507 nan 8.150 nan 0.000 0.446 551 Y N 0.301 120.508 120.300 -0.154 0.000 2.254 551 Y HA 0.288 4.838 4.550 0.000 0.000 0.274 551 Y C 0.491 176.381 175.900 -0.016 0.000 1.093 551 Y CA 0.499 58.526 58.100 -0.121 0.000 1.105 551 Y CB 0.045 38.365 38.460 -0.233 0.000 1.041 551 Y HN 0.490 nan 8.280 nan 0.000 0.489 552 D N -2.976 117.542 120.400 0.197 0.000 2.671 552 D HA 0.122 4.762 4.640 0.000 0.000 0.273 552 D C -0.591 175.812 176.300 0.170 0.000 1.264 552 D CA -0.525 53.567 54.000 0.152 0.000 0.788 552 D CB 0.251 41.122 40.800 0.118 0.000 1.324 552 D HN -0.123 nan 8.370 nan 0.000 0.424 553 D N -0.129 120.357 120.400 0.143 0.000 2.149 553 D HA -0.158 4.482 4.640 0.000 0.000 0.198 553 D C 1.469 177.860 176.300 0.153 0.000 0.990 553 D CA 1.448 55.534 54.000 0.143 0.000 0.839 553 D CB 0.067 40.930 40.800 0.106 0.000 0.948 553 D HN 0.692 nan 8.370 nan 0.000 0.460 554 E N 0.336 120.616 120.200 0.133 0.000 2.110 554 E HA -0.143 4.207 4.350 0.000 0.000 0.193 554 E C 1.828 178.520 176.600 0.155 0.000 0.988 554 E CA 1.113 57.592 56.400 0.132 0.000 0.804 554 E CB 0.121 29.881 29.700 0.101 0.000 0.745 554 E HN 0.021 nan 8.360 nan 0.000 0.458 555 S N -0.205 115.589 115.700 0.157 0.000 2.399 555 S HA -0.174 4.296 4.470 0.000 0.000 0.231 555 S C 2.038 176.824 174.600 0.309 0.000 1.022 555 S CA 1.053 59.392 58.200 0.231 0.000 0.983 555 S CB -0.306 63.025 63.200 0.218 0.000 0.803 555 S HN 0.472 nan 8.310 nan 0.000 0.480 556 C N 1.848 121.319 119.300 0.285 0.000 2.429 556 C HA -0.061 4.399 4.460 0.000 0.000 0.277 556 C C 2.398 177.541 174.990 0.255 0.000 1.262 556 C CA 0.350 59.547 59.018 0.299 0.000 1.733 556 C CB -1.203 26.707 27.740 0.283 0.000 2.010 556 C HN 0.547 nan 8.230 nan 0.000 0.483 557 D N 0.671 121.201 120.400 0.218 0.000 2.178 557 D HA -0.088 4.552 4.640 0.000 0.000 0.201 557 D C 2.163 178.610 176.300 0.245 0.000 0.980 557 D CA 0.980 55.098 54.000 0.197 0.000 0.842 557 D CB -0.363 40.532 40.800 0.158 0.000 0.948 557 D HN 0.306 nan 8.370 nan 0.000 0.472 558 V N 0.598 120.686 119.914 0.289 0.000 2.270 558 V HA -0.191 3.929 4.120 0.000 0.000 0.245 558 V C 2.697 179.070 176.094 0.465 0.000 1.043 558 V CA 0.952 63.495 62.300 0.405 0.000 1.014 558 V CB -0.528 31.538 31.823 0.404 0.000 0.645 558 V HN 0.037 nan 8.190 nan 0.000 0.447 559 V N 0.102 120.238 119.914 0.371 0.000 2.252 559 V HA -0.349 3.771 4.120 0.000 0.000 0.249 559 V C 2.575 178.842 176.094 0.289 0.000 1.056 559 V CA 2.689 65.185 62.300 0.327 0.000 1.022 559 V CB -0.799 31.210 31.823 0.310 0.000 0.641 559 V HN 0.486 nan 8.190 nan 0.000 0.445 560 R N -0.819 119.830 120.500 0.248 0.000 2.083 560 R HA -0.220 4.120 4.340 0.000 0.000 0.237 560 R C 2.246 178.616 176.300 0.117 0.000 1.137 560 R CA 2.249 58.453 56.100 0.174 0.000 0.951 560 R CB -0.486 29.905 30.300 0.151 0.000 0.851 560 R HN 0.494 nan 8.270 nan 0.000 0.434 561 F N -0.040 119.891 119.950 -0.031 0.000 2.095 561 F HA -0.191 4.336 4.527 0.000 0.000 0.298 561 F C 1.442 177.016 175.800 -0.376 0.000 1.104 561 F CA 1.612 59.455 58.000 -0.261 0.000 1.232 561 F CB -0.184 38.557 39.000 -0.432 0.000 0.987 561 F HN -0.008 nan 8.300 nan 0.000 0.475 562 F N -0.253 119.761 119.950 0.108 0.000 2.416 562 F HA -0.039 4.488 4.527 0.000 0.000 0.296 562 F C 2.423 178.224 175.800 0.002 0.000 1.099 562 F CA 1.302 59.316 58.000 0.023 0.000 1.427 562 F CB -1.203 37.908 39.000 0.186 0.000 1.079 562 F HN -0.163 nan 8.300 nan 0.000 0.536 563 T N -0.449 114.224 114.554 0.199 0.000 2.737 563 T HA -0.203 4.147 4.350 0.000 0.000 0.265 563 T C 1.933 176.682 174.700 0.082 0.000 1.038 563 T CA 1.418 63.625 62.100 0.178 0.000 1.144 563 T CB -0.342 68.654 68.868 0.213 0.000 0.866 563 T HN 0.261 nan 8.240 nan 0.000 0.434 564 Q N 0.285 120.070 119.800 -0.026 0.000 2.077 564 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 564 Q C 2.356 178.250 176.000 -0.176 0.000 0.989 564 Q CA 1.403 57.139 55.803 -0.112 0.000 0.853 564 Q CB -0.453 28.165 28.738 -0.200 0.000 0.907 564 Q HN 0.306 nan 8.270 nan 0.000 0.418 565 L N 1.257 122.277 121.223 -0.340 0.000 2.012 565 L HA -0.232 4.108 4.340 0.000 0.000 0.210 565 L C 2.228 179.058 176.870 -0.068 0.000 1.073 565 L CA 1.961 56.604 54.840 -0.328 0.000 0.748 565 L CB -0.439 41.308 42.059 -0.520 0.000 0.891 565 L HN 0.055 nan 8.230 nan 0.000 0.431 566 K N -1.233 119.190 120.400 0.037 0.000 2.026 566 K HA -0.198 4.122 4.320 0.000 0.000 0.208 566 K C 2.151 178.819 176.600 0.113 0.000 1.048 566 K CA 1.863 58.221 56.287 0.117 0.000 0.929 566 K CB -0.380 32.223 32.500 0.172 0.000 0.713 566 K HN 0.534 nan 8.250 nan 0.000 0.439 567 C N 0.712 120.079 119.300 0.111 0.000 2.401 567 C HA -0.081 4.379 4.460 0.000 0.000 0.276 567 C C 2.586 177.709 174.990 0.222 0.000 1.233 567 C CA 0.752 59.871 59.018 0.168 0.000 1.753 567 C CB -0.935 26.880 27.740 0.125 0.000 2.029 567 C HN 0.493 nan 8.230 nan 0.000 0.478 568 R N 0.082 120.648 120.500 0.110 0.000 2.148 568 R HA 0.018 4.358 4.340 0.000 0.000 0.227 568 R C 1.945 178.312 176.300 0.110 0.000 1.103 568 R CA 1.004 57.174 56.100 0.118 0.000 0.983 568 R CB -0.273 30.034 30.300 0.012 0.000 0.874 568 R HN 0.594 nan 8.270 nan 0.000 0.451 569 M N -0.120 119.528 119.600 0.080 0.000 2.619 569 M HA -0.001 4.479 4.480 0.000 0.000 0.251 569 M C 1.673 177.987 176.300 0.024 0.000 1.106 569 M CA 0.565 55.918 55.300 0.088 0.000 1.086 569 M CB 0.122 32.803 32.600 0.134 0.000 1.465 569 M HN 0.035 nan 8.290 nan 0.000 0.506 570 M N 0.147 119.699 119.600 -0.079 0.000 2.213 570 M HA -0.072 4.408 4.480 0.000 0.000 0.263 570 M C -0.722 175.071 176.300 -0.846 0.000 1.062 570 M CA 1.624 56.682 55.300 -0.404 0.000 1.105 570 M CB -2.071 30.309 32.600 -0.366 0.000 1.385 570 M HN -0.001 nan 8.290 nan 0.000 0.417 571 P HA -0.169 nan 4.420 nan 0.000 0.218 571 P C 1.454 178.583 177.300 -0.285 0.000 1.149 571 P CA 1.153 63.865 63.100 -0.646 0.000 0.817 571 P CB -0.311 31.257 31.700 -0.220 0.000 0.785 572 Y N 0.109 120.270 120.300 -0.232 0.000 2.153 572 Y HA -0.101 4.449 4.550 0.000 0.000 0.289 572 Y C 1.968 177.788 175.900 -0.133 0.000 1.119 572 Y CA 1.215 59.247 58.100 -0.112 0.000 1.116 572 Y CB -1.132 37.306 38.460 -0.036 0.000 1.004 572 Y HN -0.285 nan 8.280 nan 0.000 0.501 573 L N -0.276 120.786 121.223 -0.268 0.000 2.042 573 L HA -0.255 4.085 4.340 0.000 0.000 0.210 573 L C 2.284 178.938 176.870 -0.359 0.000 1.076 573 L CA 1.831 56.487 54.840 -0.306 0.000 0.749 573 L CB -1.824 40.181 42.059 -0.089 0.000 0.893 573 L HN 0.394 nan 8.230 nan 0.000 0.432 574 Y N -0.042 119.872 120.300 -0.642 0.000 2.314 574 Y HA -0.207 4.343 4.550 0.000 0.000 0.293 574 Y C 2.766 178.449 175.900 -0.362 0.000 1.129 574 Y CA 1.316 59.035 58.100 -0.635 0.000 1.201 574 Y CB -0.085 37.814 38.460 -0.935 0.000 0.999 574 Y HN 0.100 nan 8.280 nan 0.000 0.541 575 R N 0.825 121.155 120.500 -0.283 0.000 2.081 575 R HA -0.120 4.220 4.340 0.000 0.000 0.235 575 R C 1.829 177.980 176.300 -0.248 0.000 1.131 575 R CA 1.911 57.882 56.100 -0.215 0.000 0.960 575 R CB -0.407 29.810 30.300 -0.138 0.000 0.856 575 R HN 0.176 nan 8.270 nan 0.000 0.436 576 E N 0.186 120.184 120.200 -0.337 0.000 2.204 576 E HA -0.088 4.262 4.350 0.000 0.000 0.194 576 E C 1.806 178.301 176.600 -0.175 0.000 0.989 576 E CA 1.242 57.470 56.400 -0.287 0.000 0.824 576 E CB -0.311 29.142 29.700 -0.411 0.000 0.756 576 E HN 0.481 nan 8.360 nan 0.000 0.477 577 A N 1.419 124.147 122.820 -0.152 0.000 1.929 577 A HA 0.031 4.351 4.320 0.000 0.000 0.216 577 A C 2.411 179.991 177.584 -0.007 0.000 1.176 577 A CA 1.559 53.632 52.037 0.060 0.000 0.628 577 A CB -0.422 18.652 19.000 0.123 0.000 0.816 577 A HN 0.250 nan 8.150 nan 0.000 0.444 578 A N -0.222 122.478 122.820 -0.201 0.000 1.972 578 A HA -0.165 4.155 4.320 0.000 0.000 0.219 578 A C 2.204 179.740 177.584 -0.081 0.000 1.169 578 A CA 1.504 53.458 52.037 -0.138 0.000 0.635 578 A CB -0.469 18.437 19.000 -0.157 0.000 0.810 578 A HN 0.529 nan 8.150 nan 0.000 0.446 579 R N -0.676 119.763 120.500 -0.101 0.000 2.105 579 R HA -0.135 4.205 4.340 0.000 0.000 0.239 579 R C 2.461 178.697 176.300 -0.106 0.000 1.135 579 R CA 1.210 57.251 56.100 -0.098 0.000 0.967 579 R CB -0.414 29.818 30.300 -0.113 0.000 0.861 579 R HN 0.536 nan 8.270 nan 0.000 0.442 580 A N 1.283 124.023 122.820 -0.133 0.000 1.902 580 A HA -0.226 4.094 4.320 0.000 0.000 0.217 580 A C 1.931 179.461 177.584 -0.090 0.000 1.181 580 A CA 1.677 53.596 52.037 -0.196 0.000 0.623 580 A CB -0.760 17.948 19.000 -0.487 0.000 0.818 580 A HN 0.451 nan 8.150 nan 0.000 0.443 581 N N 0.111 118.815 118.700 0.006 0.000 2.216 581 N HA -0.079 4.661 4.740 0.000 0.000 0.183 581 N C 1.868 177.356 175.510 -0.038 0.000 1.017 581 N CA 1.343 54.403 53.050 0.017 0.000 0.861 581 N CB -0.172 38.351 38.487 0.060 0.000 0.986 581 N HN 0.362 nan 8.380 nan 0.000 0.428 582 A N 0.577 123.369 122.820 -0.047 0.000 1.930 582 A HA 0.088 4.408 4.320 0.000 0.000 0.215 582 A C 2.077 179.620 177.584 -0.069 0.000 1.176 582 A CA 0.778 52.783 52.037 -0.053 0.000 0.632 582 A CB 0.007 18.977 19.000 -0.050 0.000 0.819 582 A HN 0.269 nan 8.150 nan 0.000 0.445 583 R N -2.453 117.998 120.500 -0.081 0.000 2.531 583 R HA 0.231 4.571 4.340 0.000 0.000 0.316 583 R C 0.883 177.121 176.300 -0.103 0.000 0.955 583 R CA 0.546 56.595 56.100 -0.085 0.000 1.120 583 R CB 0.658 30.911 30.300 -0.078 0.000 1.361 583 R HN 0.648 nan 8.270 nan 0.000 0.534 584 G N 1.715 110.442 108.800 -0.122 0.000 2.168 584 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 584 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 584 G C 0.108 174.919 174.900 -0.148 0.000 0.997 584 G CA 0.794 45.806 45.100 -0.148 0.000 0.708 584 G HN 0.257 nan 8.290 nan 0.000 0.520 585 T N 3.539 118.008 114.554 -0.142 0.000 2.738 585 T HA 0.463 4.813 4.350 0.000 0.000 0.293 585 T C -1.464 173.126 174.700 -0.183 0.000 0.913 585 T CA -0.390 61.627 62.100 -0.138 0.000 1.103 585 T CB 1.833 70.631 68.868 -0.116 0.000 0.880 585 T HN 0.349 nan 8.240 nan 0.000 0.526 586 P HA 0.131 nan 4.420 nan 0.000 0.272 586 P C 0.882 178.082 177.300 -0.168 0.000 1.223 586 P CA -0.361 62.607 63.100 -0.220 0.000 0.784 586 P CB 0.864 32.476 31.700 -0.147 0.000 0.923 587 M N 0.744 120.231 119.600 -0.189 0.000 2.086 587 M HA -0.064 4.416 4.480 0.000 0.000 0.261 587 M C 1.528 177.870 176.300 0.071 0.000 1.067 587 M CA 1.835 57.113 55.300 -0.036 0.000 1.116 587 M CB -0.189 32.448 32.600 0.061 0.000 1.348 587 M HN 0.391 nan 8.290 nan 0.000 0.407 588 M N 1.517 121.157 119.600 0.066 0.000 2.108 588 M HA 0.214 4.694 4.480 0.000 0.000 0.347 588 M C -0.971 175.335 176.300 0.010 0.000 1.326 588 M CA 0.143 55.484 55.300 0.067 0.000 1.126 588 M CB 0.360 32.918 32.600 -0.071 0.000 1.606 588 M HN 0.040 nan 8.290 nan 0.000 0.462 589 R N 3.959 124.518 120.500 0.099 0.000 2.494 589 R HA 0.650 4.990 4.340 0.000 0.000 0.305 589 R C -0.347 175.998 176.300 0.075 0.000 0.959 589 R CA -0.731 55.395 56.100 0.044 0.000 0.864 589 R CB 1.607 31.930 30.300 0.037 0.000 1.159 589 R HN 0.820 nan 8.270 nan 0.000 0.446 590 A N 3.593 126.408 122.820 -0.008 0.000 2.520 590 A HA 0.020 4.340 4.320 0.000 0.000 0.235 590 A C 1.316 178.925 177.584 0.041 0.000 1.065 590 A CA -0.137 51.897 52.037 -0.005 0.000 0.764 590 A CB 0.188 19.129 19.000 -0.099 0.000 1.002 590 A HN 0.786 nan 8.150 nan 0.000 0.502 591 M N 1.885 121.532 119.600 0.078 0.000 2.149 591 M HA -0.219 4.261 4.480 0.000 0.000 0.261 591 M C 2.040 178.427 176.300 0.146 0.000 1.064 591 M CA 2.354 57.749 55.300 0.158 0.000 1.102 591 M CB -1.495 31.158 32.600 0.088 0.000 1.369 591 M HN 1.007 nan 8.290 nan 0.000 0.408 592 M N -0.964 118.628 119.600 -0.012 0.000 2.267 592 M HA -0.138 4.342 4.480 0.000 0.000 0.263 592 M C 2.040 178.263 176.300 -0.129 0.000 1.063 592 M CA 1.810 57.048 55.300 -0.103 0.000 1.090 592 M CB -1.090 31.338 32.600 -0.287 0.000 1.392 592 M HN 0.261 nan 8.290 nan 0.000 0.422 593 M N -0.469 119.048 119.600 -0.138 0.000 2.236 593 M HA -0.089 4.391 4.480 0.000 0.000 0.266 593 M C 1.831 178.060 176.300 -0.119 0.000 1.070 593 M CA 1.799 57.014 55.300 -0.141 0.000 1.137 593 M CB 0.023 32.543 32.600 -0.134 0.000 1.378 593 M HN 0.436 nan 8.290 nan 0.000 0.426 594 E N -0.105 120.041 120.200 -0.090 0.000 2.190 594 E HA 0.019 4.369 4.350 0.000 0.000 0.191 594 E C -0.428 175.820 176.600 -0.586 0.000 0.978 594 E CA 0.877 57.090 56.400 -0.311 0.000 0.839 594 E CB 0.275 29.816 29.700 -0.265 0.000 0.787 594 E HN 0.478 nan 8.360 nan 0.000 0.473 595 F N 0.607 120.566 119.950 0.016 0.000 2.523 595 F HA 0.338 4.865 4.527 0.000 0.000 0.322 595 F C -1.821 173.978 175.800 -0.002 0.000 1.361 595 F CA -1.954 56.067 58.000 0.036 0.000 1.151 595 F CB 1.681 40.735 39.000 0.090 0.000 1.391 595 F HN -0.027 nan 8.300 nan 0.000 0.566 596 P HA -0.078 nan 4.420 nan 0.000 0.226 596 P C 0.453 177.771 177.300 0.030 0.000 1.153 596 P CA 1.196 64.299 63.100 0.005 0.000 0.777 596 P CB 0.439 32.115 31.700 -0.040 0.000 0.794 597 D N -0.787 119.653 120.400 0.067 0.000 2.349 597 D HA 0.015 4.655 4.640 0.000 0.000 0.214 597 D C 0.162 176.511 176.300 0.082 0.000 1.063 597 D CA 0.468 54.507 54.000 0.065 0.000 0.847 597 D CB -0.077 40.763 40.800 0.067 0.000 0.933 597 D HN 0.137 nan 8.370 nan 0.000 0.513 598 D N 1.160 121.624 120.400 0.106 0.000 2.359 598 D HA 0.102 4.742 4.640 0.000 0.000 0.230 598 D C -1.576 174.735 176.300 0.020 0.000 1.118 598 D CA -2.053 52.000 54.000 0.089 0.000 0.844 598 D CB 2.116 43.002 40.800 0.143 0.000 1.059 598 D HN -0.078 nan 8.370 nan 0.000 0.493 599 P HA 0.003 nan 4.420 nan 0.000 0.233 599 P C 0.861 178.133 177.300 -0.047 0.000 1.167 599 P CA 0.258 63.356 63.100 -0.003 0.000 0.770 599 P CB 0.286 31.998 31.700 0.019 0.000 0.837 600 A N -0.676 122.054 122.820 -0.150 0.000 2.119 600 A HA -0.067 4.253 4.320 0.000 0.000 0.217 600 A C 2.083 179.430 177.584 -0.396 0.000 1.153 600 A CA 0.918 52.747 52.037 -0.347 0.000 0.692 600 A CB -1.430 17.092 19.000 -0.796 0.000 0.799 600 A HN 0.258 nan 8.150 nan 0.000 0.458 601 C N -0.393 118.755 119.300 -0.254 0.000 2.696 601 C HA 0.065 4.525 4.460 0.000 0.000 0.264 601 C C 1.817 176.776 174.990 -0.051 0.000 1.288 601 C CA -0.016 58.909 59.018 -0.156 0.000 1.717 601 C CB -0.857 26.850 27.740 -0.054 0.000 1.893 601 C HN 0.557 nan 8.230 nan 0.000 0.577 602 D N 0.832 121.207 120.400 -0.042 0.000 2.133 602 D HA -0.140 4.500 4.640 0.000 0.000 0.195 602 D C 0.985 177.165 176.300 -0.200 0.000 0.997 602 D CA 1.708 55.633 54.000 -0.126 0.000 0.840 602 D CB -0.143 40.508 40.800 -0.248 0.000 0.947 602 D HN 0.592 nan 8.370 nan 0.000 0.452 603 Y N -0.326 120.010 120.300 0.060 0.000 2.584 603 Y HA 0.298 4.848 4.550 0.000 0.000 0.254 603 Y C 0.439 176.374 175.900 0.059 0.000 1.177 603 Y CA -0.377 57.756 58.100 0.054 0.000 1.216 603 Y CB 0.294 38.765 38.460 0.017 0.000 1.172 603 Y HN -0.218 nan 8.280 nan 0.000 0.529 604 L N 2.861 124.175 121.223 0.151 0.000 2.456 604 L HA 0.081 4.421 4.340 0.000 0.000 0.277 604 L C 0.296 177.220 176.870 0.091 0.000 1.124 604 L CA 0.248 55.157 54.840 0.114 0.000 0.880 604 L CB 0.454 42.530 42.059 0.028 0.000 1.192 604 L HN 0.317 nan 8.230 nan 0.000 0.463 605 D N 1.822 122.274 120.400 0.086 0.000 2.527 605 D HA 0.014 4.654 4.640 0.000 0.000 0.224 605 D C 1.047 177.363 176.300 0.025 0.000 1.217 605 D CA -0.210 53.817 54.000 0.044 0.000 0.819 605 D CB 0.370 41.185 40.800 0.024 0.000 1.061 605 D HN 0.380 nan 8.370 nan 0.000 0.515 606 R N 0.397 120.931 120.500 0.057 0.000 2.543 606 R HA 0.225 4.565 4.340 0.000 0.000 0.323 606 R C 0.250 176.656 176.300 0.177 0.000 1.002 606 R CA -0.012 56.140 56.100 0.086 0.000 1.106 606 R CB 0.685 30.992 30.300 0.013 0.000 1.280 606 R HN 0.372 nan 8.270 nan 0.000 0.549 607 Q N -0.215 119.664 119.800 0.131 0.000 2.648 607 Q HA 0.440 4.780 4.340 0.000 0.000 0.300 607 Q C -1.431 174.678 176.000 0.181 0.000 0.954 607 Q CA -1.198 54.646 55.803 0.069 0.000 0.757 607 Q CB 1.624 30.333 28.738 -0.048 0.000 1.482 607 Q HN 0.068 nan 8.270 nan 0.000 0.437 608 Y N -2.185 118.106 120.300 -0.014 0.000 2.713 608 Y HA 0.654 5.204 4.550 0.000 0.000 0.335 608 Y C -1.605 174.334 175.900 0.064 0.000 1.222 608 Y CA -1.581 56.536 58.100 0.027 0.000 1.061 608 Y CB 1.248 39.730 38.460 0.037 0.000 1.314 608 Y HN 0.530 nan 8.280 nan 0.000 0.453 609 M N 3.042 122.803 119.600 0.268 0.000 2.209 609 M HA 0.371 4.851 4.480 0.000 0.000 0.355 609 M C -1.249 175.251 176.300 0.333 0.000 1.171 609 M CA -0.674 54.767 55.300 0.235 0.000 1.069 609 M CB 1.459 34.213 32.600 0.258 0.000 1.622 609 M HN 0.754 nan 8.290 nan 0.000 0.459 610 L N 3.717 125.116 121.223 0.293 0.000 2.297 610 L HA 0.638 4.978 4.340 0.000 0.000 0.277 610 L C 0.439 177.491 176.870 0.303 0.000 1.040 610 L CA 0.693 55.740 54.840 0.346 0.000 0.867 610 L CB 0.153 42.440 42.059 0.381 0.000 1.244 610 L HN 0.964 nan 8.230 nan 0.000 0.433 611 G N 3.811 112.716 108.800 0.175 0.000 2.750 611 G HA2 -0.293 3.667 3.960 0.000 0.000 0.228 611 G HA3 -0.293 3.667 3.960 0.000 0.000 0.228 611 G C 0.340 175.336 174.900 0.160 0.000 1.367 611 G CA 0.024 45.173 45.100 0.082 0.000 0.871 611 G HN 0.550 nan 8.290 nan 0.000 0.560 612 D N 0.319 120.794 120.400 0.126 0.000 2.178 612 D HA -0.050 4.590 4.640 0.000 0.000 0.201 612 D C 2.046 178.438 176.300 0.154 0.000 0.980 612 D CA 1.643 55.701 54.000 0.097 0.000 0.842 612 D CB 0.015 40.852 40.800 0.061 0.000 0.948 612 D HN 0.355 nan 8.370 nan 0.000 0.472 613 N N -0.497 118.355 118.700 0.253 0.000 2.171 613 N HA 0.047 4.787 4.740 0.000 0.000 0.212 613 N C -0.268 175.284 175.510 0.069 0.000 1.184 613 N CA 0.014 53.123 53.050 0.098 0.000 0.888 613 N CB 2.232 40.716 38.487 -0.006 0.000 1.038 613 N HN 0.059 nan 8.380 nan 0.000 0.517 614 V N 1.031 121.045 119.914 0.166 0.000 2.531 614 V HA 0.497 4.617 4.120 0.000 0.000 0.301 614 V C -0.659 175.523 176.094 0.148 0.000 1.034 614 V CA -0.776 61.588 62.300 0.107 0.000 0.865 614 V CB 2.084 33.869 31.823 -0.064 0.000 0.995 614 V HN -0.082 nan 8.190 nan 0.000 0.424 615 M N 7.356 127.034 119.600 0.131 0.000 2.108 615 M HA 0.501 4.981 4.480 0.000 0.000 0.354 615 M C -1.076 175.062 176.300 -0.271 0.000 1.229 615 M CA -0.090 55.151 55.300 -0.099 0.000 1.081 615 M CB 1.085 33.499 32.600 -0.310 0.000 1.606 615 M HN 0.841 nan 8.290 nan 0.000 0.467 616 V N 5.439 125.082 119.914 -0.451 0.000 2.495 616 V HA 0.894 5.014 4.120 0.000 0.000 0.298 616 V C -0.993 174.735 176.094 -0.609 0.000 1.031 616 V CA -0.356 61.610 62.300 -0.557 0.000 0.871 616 V CB 1.561 33.086 31.823 -0.497 0.000 0.988 616 V HN 0.957 nan 8.190 nan 0.000 0.432 617 A N 7.650 130.201 122.820 -0.448 0.000 2.586 617 A HA 0.836 5.156 4.320 0.000 0.000 0.320 617 A C -2.785 174.641 177.584 -0.263 0.000 1.281 617 A CA -1.676 50.172 52.037 -0.316 0.000 0.775 617 A CB 0.766 19.549 19.000 -0.362 0.000 1.122 617 A HN 0.741 nan 8.150 nan 0.000 0.470 618 P HA 0.168 nan 4.420 nan 0.000 0.269 618 P C -0.321 176.677 177.300 -0.503 0.000 1.217 618 P CA 0.040 62.871 63.100 -0.448 0.000 0.783 618 P CB 0.729 31.936 31.700 -0.822 0.000 0.898 619 V N 3.003 122.650 119.914 -0.446 0.000 2.370 619 V HA 0.232 4.352 4.120 0.000 0.000 0.283 619 V C 0.168 176.038 176.094 -0.374 0.000 1.023 619 V CA 0.143 62.290 62.300 -0.256 0.000 0.857 619 V CB 0.278 32.048 31.823 -0.088 0.000 0.985 619 V HN 0.438 nan 8.190 nan 0.000 0.443 620 F N 2.745 122.582 119.950 -0.188 0.000 2.750 620 F HA 0.297 4.824 4.527 0.000 0.000 0.297 620 F C 1.026 176.260 175.800 -0.944 0.000 1.138 620 F CA -0.260 57.499 58.000 -0.401 0.000 1.346 620 F CB 0.652 39.558 39.000 -0.156 0.000 0.965 620 F HN 0.561 nan 8.300 nan 0.000 0.514 621 T N -4.642 109.513 114.554 -0.666 0.000 2.900 621 T HA 0.268 4.618 4.350 0.000 0.000 0.303 621 T C 0.613 175.185 174.700 -0.213 0.000 1.142 621 T CA -0.710 61.102 62.100 -0.479 0.000 1.007 621 T CB 2.388 71.167 68.868 -0.147 0.000 1.156 621 T HN 0.183 nan 8.240 nan 0.000 0.490 622 E N 1.144 121.371 120.200 0.046 0.000 2.046 622 E HA -0.036 4.314 4.350 0.000 0.000 0.190 622 E C 2.233 178.837 176.600 0.007 0.000 0.982 622 E CA 1.096 57.612 56.400 0.193 0.000 0.800 622 E CB -0.441 29.206 29.700 -0.088 0.000 0.756 622 E HN 0.806 nan 8.360 nan 0.000 0.449 623 A N 0.128 122.929 122.820 -0.032 0.000 2.125 623 A HA -0.003 4.317 4.320 0.000 0.000 0.219 623 A C 1.916 179.441 177.584 -0.097 0.000 1.156 623 A CA 1.570 53.571 52.037 -0.059 0.000 0.671 623 A CB -0.735 18.249 19.000 -0.028 0.000 0.794 623 A HN 0.596 nan 8.150 nan 0.000 0.459 624 G N -1.100 107.644 108.800 -0.092 0.000 2.176 624 G HA2 -0.182 3.778 3.960 0.000 0.000 0.232 624 G HA3 -0.182 3.778 3.960 0.000 0.000 0.232 624 G C -0.358 174.562 174.900 0.034 0.000 0.986 624 G CA 0.110 45.175 45.100 -0.059 0.000 0.643 624 G HN 0.536 nan 8.290 nan 0.000 0.522 625 D N 0.232 120.647 120.400 0.025 0.000 2.424 625 D HA 0.432 5.072 4.640 0.000 0.000 0.244 625 D C -0.015 176.349 176.300 0.107 0.000 1.134 625 D CA 0.600 54.641 54.000 0.068 0.000 0.881 625 D CB 2.433 43.255 40.800 0.038 0.000 1.191 625 D HN 0.427 nan 8.370 nan 0.000 0.445 626 V N 2.165 122.188 119.914 0.181 0.000 2.817 626 V HA 0.191 4.311 4.120 0.000 0.000 0.303 626 V C -1.625 174.659 176.094 0.317 0.000 1.151 626 V CA -0.592 61.851 62.300 0.238 0.000 0.929 626 V CB 2.182 34.137 31.823 0.219 0.000 1.030 626 V HN 0.451 nan 8.190 nan 0.000 0.427 627 Q N 5.958 125.955 119.800 0.329 0.000 2.337 627 Q HA 0.730 5.070 4.340 0.000 0.000 0.266 627 Q C -1.328 174.995 176.000 0.540 0.000 1.023 627 Q CA -0.450 55.577 55.803 0.374 0.000 0.829 627 Q CB 2.628 31.551 28.738 0.308 0.000 1.306 627 Q HN 0.751 nan 8.270 nan 0.000 0.449 628 F N -1.036 119.042 119.950 0.213 0.000 2.662 628 F HA 0.630 5.157 4.527 0.000 0.000 0.312 628 F C -1.747 173.697 175.800 -0.592 0.000 1.113 628 F CA -1.461 56.426 58.000 -0.189 0.000 0.951 628 F CB 1.171 40.057 39.000 -0.190 0.000 1.344 628 F HN 0.461 nan 8.300 nan 0.000 0.462 629 Y N 2.255 121.992 120.300 -0.938 0.000 2.377 629 Y HA 0.741 5.292 4.550 0.000 0.000 0.339 629 Y C -1.837 173.690 175.900 -0.622 0.000 1.011 629 Y CA -1.292 56.150 58.100 -1.098 0.000 1.093 629 Y CB 1.535 39.164 38.460 -1.384 0.000 1.201 629 Y HN 0.713 nan 8.280 nan 0.000 0.455 630 L N 8.954 129.362 121.223 -1.357 0.000 2.333 630 L HA 0.580 4.920 4.340 0.000 0.000 0.280 630 L C -2.367 173.691 176.870 -1.354 0.000 1.004 630 L CA -2.928 51.156 54.840 -1.259 0.000 0.820 630 L CB 1.366 42.805 42.059 -1.034 0.000 1.247 630 L HN 0.591 nan 8.230 nan 0.000 0.416 631 P HA 0.067 nan 4.420 nan 0.000 0.273 631 P C -0.436 176.875 177.300 0.018 0.000 1.250 631 P CA -0.529 62.358 63.100 -0.355 0.000 0.793 631 P CB 0.479 31.746 31.700 -0.723 0.000 1.011 632 E N 0.211 120.463 120.200 0.087 0.000 2.604 632 E HA 0.242 4.592 4.350 0.000 0.000 0.267 632 E C 0.248 176.954 176.600 0.177 0.000 0.970 632 E CA 1.003 57.481 56.400 0.130 0.000 0.956 632 E CB -0.354 29.418 29.700 0.120 0.000 0.939 632 E HN 0.689 nan 8.360 nan 0.000 0.465 633 G N 2.885 111.755 108.800 0.117 0.000 2.357 633 G HA2 -0.111 3.849 3.960 0.000 0.000 0.643 633 G HA3 -0.111 3.849 3.960 0.000 0.000 0.643 633 G C -1.210 173.720 174.900 0.051 0.000 1.358 633 G CA -0.726 44.368 45.100 -0.009 0.000 0.986 633 G HN 0.559 nan 8.290 nan 0.000 0.620 634 R N 0.104 120.569 120.500 -0.059 0.000 2.215 634 R HA 0.473 4.813 4.340 0.000 0.000 0.337 634 R C -0.661 175.631 176.300 -0.014 0.000 1.010 634 R CA -0.658 55.463 56.100 0.034 0.000 0.871 634 R CB 0.370 30.686 30.300 0.027 0.000 1.134 634 R HN 0.450 nan 8.270 nan 0.000 0.477 635 W N 2.064 123.354 121.300 -0.017 0.000 2.303 635 W HA 0.316 4.976 4.660 0.000 0.000 0.334 635 W C 0.123 176.735 176.519 0.155 0.000 1.197 635 W CA -0.119 57.243 57.345 0.029 0.000 1.262 635 W CB 1.636 31.077 29.460 -0.032 0.000 1.153 635 W HN 0.294 nan 8.180 nan 0.000 0.596 636 T N 1.906 116.688 114.554 0.379 0.000 2.848 636 T HA 0.094 4.444 4.350 0.000 0.000 0.285 636 T C -0.721 174.036 174.700 0.096 0.000 0.995 636 T CA -0.634 61.654 62.100 0.314 0.000 0.970 636 T CB 0.934 70.024 68.868 0.370 0.000 0.976 636 T HN 0.273 nan 8.240 nan 0.000 0.441 637 H N 3.003 121.978 119.070 -0.159 0.000 2.848 637 H HA 0.109 4.665 4.556 0.000 0.000 0.341 637 H C 0.848 175.954 175.328 -0.369 0.000 1.060 637 H CA -0.463 55.178 56.048 -0.677 0.000 1.444 637 H CB 0.944 30.238 29.762 -0.779 0.000 1.446 637 H HN 0.500 nan 8.280 nan 0.000 0.583 638 L N 5.870 126.708 121.223 -0.642 0.000 2.079 638 L HA -0.154 4.186 4.340 0.000 0.000 0.210 638 L C 1.705 178.701 176.870 0.209 0.000 1.081 638 L CA 2.159 56.907 54.840 -0.153 0.000 0.752 638 L CB -0.522 41.477 42.059 -0.101 0.000 0.896 638 L HN 0.830 nan 8.230 nan 0.000 0.433 639 W N -4.494 116.902 121.300 0.159 0.000 2.835 639 W HA 0.263 4.923 4.660 0.000 0.000 0.278 639 W C 1.823 178.391 176.519 0.081 0.000 1.075 639 W CA -0.034 57.367 57.345 0.093 0.000 1.439 639 W CB -0.707 28.792 29.460 0.066 0.000 0.927 639 W HN -0.051 nan 8.180 nan 0.000 0.604 640 H N 1.472 120.395 119.070 -0.245 0.000 2.495 640 H HA 0.051 4.607 4.556 0.000 0.000 0.287 640 H C 0.464 175.765 175.328 -0.044 0.000 1.033 640 H CA 0.993 56.887 56.048 -0.257 0.000 1.307 640 H CB -0.605 28.798 29.762 -0.598 0.000 1.401 640 H HN 0.336 nan 8.280 nan 0.000 0.555 641 N N 0.877 119.660 118.700 0.139 0.000 2.815 641 N HA -0.173 4.567 4.740 0.000 0.000 0.247 641 N C -0.509 175.098 175.510 0.163 0.000 1.030 641 N CA 0.950 54.101 53.050 0.168 0.000 0.881 641 N CB -0.876 37.698 38.487 0.145 0.000 1.134 641 N HN 0.634 nan 8.380 nan 0.000 0.582 642 D N 0.889 121.383 120.400 0.157 0.000 2.372 642 D HA 0.106 4.746 4.640 0.000 0.000 0.243 642 D C -0.134 176.326 176.300 0.267 0.000 1.121 642 D CA 0.344 54.446 54.000 0.170 0.000 0.898 642 D CB 0.962 41.845 40.800 0.138 0.000 1.202 642 D HN 0.229 nan 8.370 nan 0.000 0.428 643 E N 0.454 120.782 120.200 0.214 0.000 2.207 643 E HA 0.615 4.965 4.350 0.000 0.000 0.270 643 E C -0.626 176.056 176.600 0.136 0.000 0.927 643 E CA -0.858 55.671 56.400 0.216 0.000 0.799 643 E CB 2.255 32.046 29.700 0.152 0.000 1.172 643 E HN 0.360 nan 8.360 nan 0.000 0.404 644 L N 1.589 122.859 121.223 0.078 0.000 2.422 644 L HA 0.418 4.758 4.340 0.000 0.000 0.264 644 L C -0.785 176.086 176.870 0.001 0.000 0.984 644 L CA -1.018 53.757 54.840 -0.108 0.000 0.819 644 L CB 2.104 43.804 42.059 -0.598 0.000 1.330 644 L HN 0.423 nan 8.230 nan 0.000 0.410 645 D N 0.967 121.396 120.400 0.048 0.000 2.253 645 D HA 0.445 5.085 4.640 0.000 0.000 0.249 645 D C 0.034 176.404 176.300 0.118 0.000 1.049 645 D CA -0.039 54.023 54.000 0.103 0.000 0.929 645 D CB 2.451 43.300 40.800 0.080 0.000 1.176 645 D HN 0.663 nan 8.370 nan 0.000 0.437 646 G N -0.906 107.954 108.800 0.100 0.000 2.702 646 G HA2 0.340 4.300 3.960 0.000 0.000 0.254 646 G HA3 0.340 4.300 3.960 0.000 0.000 0.254 646 G C 0.173 175.015 174.900 -0.098 0.000 1.380 646 G CA 0.108 45.186 45.100 -0.037 0.000 1.042 646 G HN 0.667 nan 8.290 nan 0.000 0.557 647 S N -1.613 113.957 115.700 -0.216 0.000 3.635 647 S HA -0.185 4.285 4.470 0.000 0.000 0.328 647 S C 0.275 174.844 174.600 -0.052 0.000 1.135 647 S CA 1.858 60.016 58.200 -0.071 0.000 0.942 647 S CB -1.602 61.626 63.200 0.046 0.000 0.930 647 S HN 1.708 nan 8.310 nan 0.000 0.512 648 R N -1.852 118.443 120.500 -0.342 0.000 2.741 648 R HA 0.566 4.906 4.340 0.000 0.000 0.276 648 R C -1.387 174.662 176.300 -0.418 0.000 1.028 648 R CA -1.163 54.827 56.100 -0.184 0.000 0.865 648 R CB -0.219 29.943 30.300 -0.230 0.000 1.268 648 R HN 0.205 nan 8.270 nan 0.000 0.475 649 W N 1.253 122.376 121.300 -0.295 0.000 2.251 649 W HA 0.422 5.082 4.660 0.000 0.000 0.329 649 W C 0.344 176.409 176.519 -0.757 0.000 1.234 649 W CA 0.485 57.613 57.345 -0.362 0.000 1.228 649 W CB 0.828 30.182 29.460 -0.177 0.000 1.135 649 W HN 0.287 nan 8.180 nan 0.000 0.576 650 H N 1.757 120.571 119.070 -0.426 0.000 2.690 650 H HA 0.352 4.909 4.556 0.000 0.000 0.368 650 H C -1.005 174.029 175.328 -0.490 0.000 1.150 650 H CA -1.130 54.551 56.048 -0.610 0.000 1.174 650 H CB 2.489 31.595 29.762 -1.092 0.000 1.684 650 H HN 0.253 nan 8.280 nan 0.000 0.538 651 K N 2.446 122.780 120.400 -0.110 0.000 2.413 651 K HA 0.328 4.648 4.320 0.000 0.000 0.257 651 K C -1.063 175.596 176.600 0.098 0.000 0.946 651 K CA -0.445 55.853 56.287 0.018 0.000 0.823 651 K CB 1.499 34.008 32.500 0.016 0.000 1.109 651 K HN 0.610 nan 8.250 nan 0.000 0.427 652 Q N 2.033 121.967 119.800 0.224 0.000 2.528 652 Q HA 0.262 4.602 4.340 0.000 0.000 0.289 652 Q C -1.476 174.646 176.000 0.204 0.000 1.091 652 Q CA -1.095 54.850 55.803 0.235 0.000 0.797 652 Q CB 2.799 31.806 28.738 0.448 0.000 1.466 652 Q HN 0.530 nan 8.270 nan 0.000 0.436 653 Q N 1.072 120.907 119.800 0.058 0.000 2.333 653 Q HA 0.317 4.657 4.340 0.000 0.000 0.268 653 Q C -1.535 174.383 176.000 -0.137 0.000 1.007 653 Q CA -0.316 55.499 55.803 0.020 0.000 0.810 653 Q CB 1.122 29.843 28.738 -0.029 0.000 1.264 653 Q HN 0.577 nan 8.270 nan 0.000 0.452 654 H N 1.997 121.063 119.070 -0.006 0.000 2.538 654 H HA 0.392 4.948 4.556 0.000 0.000 0.353 654 H C -0.054 175.227 175.328 -0.079 0.000 1.109 654 H CA -0.587 55.459 56.048 -0.004 0.000 1.192 654 H CB 2.049 31.849 29.762 0.063 0.000 1.555 654 H HN 0.867 nan 8.280 nan 0.000 0.518 655 G N 0.543 109.359 108.800 0.026 0.000 2.621 655 G HA2 0.116 4.076 3.960 0.000 0.000 0.271 655 G HA3 0.116 4.076 3.960 0.000 0.000 0.271 655 G C 0.275 175.194 174.900 0.033 0.000 1.236 655 G CA -0.407 44.650 45.100 -0.071 0.000 0.958 655 G HN 0.487 nan 8.290 nan 0.000 0.512 656 F N -1.105 118.962 119.950 0.196 0.000 2.451 656 F HA 0.059 4.586 4.527 0.000 0.000 0.299 656 F C 2.092 178.064 175.800 0.287 0.000 1.101 656 F CA 0.275 58.417 58.000 0.236 0.000 1.436 656 F CB 0.047 39.179 39.000 0.219 0.000 1.074 656 F HN 0.056 nan 8.300 nan 0.000 0.553 657 L N -1.250 120.172 121.223 0.332 0.000 2.653 657 L HA 0.221 4.561 4.340 0.000 0.000 0.232 657 L C 0.454 177.470 176.870 0.245 0.000 1.169 657 L CA 0.119 55.011 54.840 0.086 0.000 0.951 657 L CB -0.905 41.006 42.059 -0.247 0.000 1.181 657 L HN -0.070 nan 8.230 nan 0.000 0.460 658 S N -0.261 115.746 115.700 0.511 0.000 2.579 658 S HA 0.910 5.380 4.470 0.000 0.000 0.272 658 S C -1.246 173.639 174.600 0.475 0.000 1.141 658 S CA -0.580 58.018 58.200 0.663 0.000 0.843 658 S CB 1.380 64.978 63.200 0.663 0.000 1.122 658 S HN 0.124 nan 8.310 nan 0.000 0.468 659 L N -0.603 120.781 121.223 0.267 0.000 2.947 659 L HA 0.680 5.020 4.340 0.000 0.000 0.267 659 L C -3.207 173.413 176.870 -0.416 0.000 1.004 659 L CA -2.260 52.398 54.840 -0.303 0.000 0.937 659 L CB 1.494 43.499 42.059 -0.090 0.000 1.496 659 L HN 0.350 nan 8.230 nan 0.000 0.409 660 P HA 0.223 nan 4.420 nan 0.000 0.265 660 P C -0.928 176.093 177.300 -0.465 0.000 1.222 660 P CA 0.087 62.918 63.100 -0.448 0.000 0.767 660 P CB 0.837 31.991 31.700 -0.908 0.000 0.801 661 V N 5.695 125.154 119.914 -0.759 0.000 2.516 661 V HA 0.270 4.390 4.120 0.000 0.000 0.271 661 V C -0.953 174.581 176.094 -0.934 0.000 0.992 661 V CA -0.491 61.398 62.300 -0.685 0.000 0.857 661 V CB 0.181 31.710 31.823 -0.488 0.000 1.047 661 V HN 0.380 nan 8.190 nan 0.000 0.455 662 Y N 2.266 122.327 120.300 -0.398 0.000 2.352 662 Y HA 0.661 5.211 4.550 0.000 0.000 0.339 662 Y C 0.150 176.097 175.900 0.079 0.000 0.992 662 Y CA -0.855 57.143 58.100 -0.171 0.000 1.100 662 Y CB 2.272 40.653 38.460 -0.131 0.000 1.192 662 Y HN 0.361 nan 8.280 nan 0.000 0.458 663 V N 4.908 124.836 119.914 0.023 0.000 2.427 663 V HA 0.416 4.536 4.120 0.000 0.000 0.286 663 V C 0.158 176.067 176.094 -0.308 0.000 1.034 663 V CA -1.272 60.855 62.300 -0.287 0.000 0.893 663 V CB 1.079 32.295 31.823 -1.010 0.000 0.982 663 V HN 0.725 nan 8.190 nan 0.000 0.452 664 R N 2.422 122.570 120.500 -0.587 0.000 2.756 664 R HA 0.130 4.470 4.340 0.000 0.000 0.264 664 R C 0.041 175.991 176.300 -0.584 0.000 1.026 664 R CA -0.362 55.088 56.100 -1.085 0.000 1.121 664 R CB 0.259 30.088 30.300 -0.787 0.000 0.999 664 R HN 0.925 nan 8.270 nan 0.000 0.449 665 D N 1.238 121.301 120.400 -0.561 0.000 2.361 665 D HA -0.094 4.546 4.640 0.000 0.000 0.239 665 D C -0.162 176.024 176.300 -0.190 0.000 1.200 665 D CA -0.357 53.481 54.000 -0.270 0.000 0.915 665 D CB 0.231 40.888 40.800 -0.239 0.000 1.170 665 D HN 0.512 nan 8.370 nan 0.000 0.444 666 N N -0.862 117.774 118.700 -0.106 0.000 2.727 666 N HA -0.159 4.581 4.740 0.000 0.000 0.249 666 N C -0.903 174.604 175.510 -0.005 0.000 1.048 666 N CA 0.976 53.992 53.050 -0.056 0.000 0.714 666 N CB -1.513 36.928 38.487 -0.076 0.000 0.959 666 N HN 0.542 nan 8.380 nan 0.000 0.544 667 T N 0.947 115.527 114.554 0.042 0.000 2.841 667 T HA 0.574 4.924 4.350 0.000 0.000 0.283 667 T C -0.232 174.582 174.700 0.191 0.000 1.000 667 T CA -0.557 61.586 62.100 0.072 0.000 0.977 667 T CB 2.360 71.211 68.868 -0.028 0.000 0.979 667 T HN 0.175 nan 8.240 nan 0.000 0.446 668 L N 4.217 125.535 121.223 0.158 0.000 2.349 668 L HA 0.785 5.125 4.340 0.000 0.000 0.278 668 L C -1.669 175.350 176.870 0.248 0.000 0.996 668 L CA -0.765 54.194 54.840 0.198 0.000 0.825 668 L CB 1.228 43.341 42.059 0.091 0.000 1.243 668 L HN 0.562 nan 8.230 nan 0.000 0.412 669 L N 4.739 126.168 121.223 0.344 0.000 2.385 669 L HA 0.890 5.231 4.340 0.000 0.000 0.273 669 L C -0.521 176.558 176.870 0.348 0.000 0.990 669 L CA -0.210 54.804 54.840 0.289 0.000 0.821 669 L CB 1.940 44.132 42.059 0.222 0.000 1.279 669 L HN 0.750 nan 8.230 nan 0.000 0.412 670 A N 5.179 128.156 122.820 0.261 0.000 2.252 670 A HA 0.697 5.017 4.320 0.000 0.000 0.309 670 A C -1.140 176.480 177.584 0.060 0.000 1.285 670 A CA -0.398 51.676 52.037 0.061 0.000 0.900 670 A CB 0.205 19.191 19.000 -0.024 0.000 1.157 670 A HN 0.498 nan 8.150 nan 0.000 0.536 671 L N 2.100 123.367 121.223 0.074 0.000 2.334 671 L HA 0.754 5.094 4.340 0.000 0.000 0.272 671 L C 0.966 177.886 176.870 0.083 0.000 1.020 671 L CA -0.071 54.828 54.840 0.098 0.000 0.812 671 L CB 1.477 43.623 42.059 0.146 0.000 1.264 671 L HN 0.785 nan 8.230 nan 0.000 0.439 672 G N 0.393 109.296 108.800 0.172 0.000 2.601 672 G HA2 0.385 4.345 3.960 0.000 0.000 0.317 672 G HA3 0.385 4.345 3.960 0.000 0.000 0.317 672 G C 0.103 175.127 174.900 0.206 0.000 1.246 672 G CA -0.392 44.889 45.100 0.301 0.000 1.012 672 G HN 0.692 nan 8.290 nan 0.000 0.494 673 N N -0.388 118.420 118.700 0.180 0.000 2.321 673 N HA 0.062 4.802 4.740 0.000 0.000 0.242 673 N C -0.400 175.016 175.510 -0.157 0.000 1.141 673 N CA -0.508 52.552 53.050 0.018 0.000 0.864 673 N CB 0.390 38.894 38.487 0.029 0.000 1.100 673 N HN 0.312 nan 8.380 nan 0.000 0.510 674 N N 0.960 119.434 118.700 -0.378 0.000 2.371 674 N HA 0.109 4.849 4.740 0.000 0.000 0.291 674 N C -1.232 174.063 175.510 -0.358 0.000 1.053 674 N CA -0.315 52.375 53.050 -0.600 0.000 0.870 674 N CB 1.769 39.455 38.487 -1.335 0.000 1.503 674 N HN 0.189 nan 8.380 nan 0.000 0.485 675 D N 1.677 121.967 120.400 -0.184 0.000 2.501 675 D HA 0.105 4.745 4.640 0.000 0.000 0.224 675 D C 0.206 176.493 176.300 -0.022 0.000 1.202 675 D CA 0.255 54.206 54.000 -0.081 0.000 0.829 675 D CB 0.511 41.261 40.800 -0.084 0.000 1.023 675 D HN 0.327 nan 8.370 nan 0.000 0.499 676 Q N 0.340 120.123 119.800 -0.028 0.000 2.353 676 Q HA 0.201 4.541 4.340 0.000 0.000 0.240 676 Q C 0.465 176.609 176.000 0.241 0.000 0.868 676 Q CA 0.453 56.300 55.803 0.073 0.000 0.944 676 Q CB 1.482 30.231 28.738 0.018 0.000 1.104 676 Q HN 0.510 nan 8.270 nan 0.000 0.531 677 R N -0.541 120.043 120.500 0.140 0.000 2.707 677 R HA 0.402 4.742 4.340 0.000 0.000 0.272 677 R C -2.593 173.793 176.300 0.145 0.000 1.011 677 R CA -1.445 54.724 56.100 0.115 0.000 0.893 677 R CB 1.241 31.641 30.300 0.166 0.000 1.233 677 R HN -0.307 nan 8.270 nan 0.000 0.464 678 P HA -0.031 nan 4.420 nan 0.000 0.230 678 P C -0.694 176.853 177.300 0.410 0.000 1.168 678 P CA 0.805 64.064 63.100 0.265 0.000 0.793 678 P CB 0.098 31.878 31.700 0.133 0.000 0.851 679 D N 0.919 121.485 120.400 0.277 0.000 2.443 679 D HA 0.221 4.861 4.640 0.000 0.000 0.221 679 D C -0.157 176.155 176.300 0.019 0.000 1.097 679 D CA -0.816 53.228 54.000 0.075 0.000 0.865 679 D CB 0.027 40.883 40.800 0.093 0.000 1.034 679 D HN 0.257 nan 8.370 nan 0.000 0.511 680 Y N -1.118 118.914 120.300 -0.447 0.000 2.764 680 Y HA 0.447 4.997 4.550 0.000 0.000 0.331 680 Y C -1.432 173.995 175.900 -0.789 0.000 1.280 680 Y CA -1.762 56.080 58.100 -0.429 0.000 1.065 680 Y CB 1.005 39.359 38.460 -0.176 0.000 1.319 680 Y HN 0.048 nan 8.280 nan 0.000 0.453 681 V N 3.467 123.176 119.914 -0.340 0.000 2.356 681 V HA 0.133 4.253 4.120 0.000 0.000 0.258 681 V C -0.162 175.711 176.094 -0.368 0.000 1.065 681 V CA -0.394 61.624 62.300 -0.469 0.000 0.935 681 V CB -0.341 31.285 31.823 -0.329 0.000 1.061 681 V HN 0.859 nan 8.190 nan 0.000 0.484 682 W N 4.940 126.100 121.300 -0.234 0.000 2.402 682 W HA -0.068 4.592 4.660 0.000 0.000 0.286 682 W C 2.134 178.609 176.519 -0.074 0.000 1.221 682 W CA 1.459 58.669 57.345 -0.224 0.000 1.257 682 W CB -0.718 28.599 29.460 -0.238 0.000 1.120 682 W HN 0.995 nan 8.180 nan 0.000 0.551 683 H N -0.638 118.516 119.070 0.139 0.000 2.533 683 H HA 0.253 4.809 4.556 0.000 0.000 0.271 683 H C -0.581 174.774 175.328 0.044 0.000 1.000 683 H CA 0.461 56.554 56.048 0.076 0.000 1.149 683 H CB -0.368 29.441 29.762 0.078 0.000 1.375 683 H HN 0.108 nan 8.280 nan 0.000 0.582 684 E N 0.194 120.239 120.200 -0.258 0.000 2.187 684 E HA 0.403 4.753 4.350 0.000 0.000 0.268 684 E C 0.171 176.773 176.600 0.002 0.000 0.896 684 E CA -0.402 55.930 56.400 -0.114 0.000 0.766 684 E CB 1.779 31.368 29.700 -0.185 0.000 1.142 684 E HN 0.443 nan 8.360 nan 0.000 0.408 685 G N 2.848 111.677 108.800 0.048 0.000 2.159 685 G HA2 -0.278 3.682 3.960 0.000 0.000 0.256 685 G HA3 -0.278 3.682 3.960 0.000 0.000 0.256 685 G C 0.364 175.306 174.900 0.071 0.000 0.977 685 G CA 0.218 45.355 45.100 0.060 0.000 0.652 685 G HN 0.504 nan 8.290 nan 0.000 0.531 686 T N 1.106 115.692 114.554 0.055 0.000 2.902 686 T HA 0.483 4.833 4.350 0.000 0.000 0.301 686 T C 0.618 175.240 174.700 -0.130 0.000 1.012 686 T CA 0.734 62.767 62.100 -0.112 0.000 1.151 686 T CB 1.604 70.251 68.868 -0.369 0.000 0.946 686 T HN 1.457 nan 8.240 nan 0.000 0.542 687 A N 3.993 126.720 122.820 -0.156 0.000 2.280 687 A HA 0.644 4.964 4.320 0.000 0.000 0.320 687 A C -0.341 177.118 177.584 -0.209 0.000 1.366 687 A CA -0.731 51.245 52.037 -0.102 0.000 0.938 687 A CB -0.183 18.844 19.000 0.045 0.000 1.157 687 A HN 0.691 nan 8.150 nan 0.000 0.536 688 F N 1.679 121.610 119.950 -0.033 0.000 2.371 688 F HA 0.443 4.970 4.527 0.000 0.000 0.329 688 F C 0.960 176.589 175.800 -0.284 0.000 1.107 688 F CA 0.386 58.370 58.000 -0.027 0.000 1.137 688 F CB 1.086 40.091 39.000 0.009 0.000 1.214 688 F HN 0.494 nan 8.300 nan 0.000 0.536 689 H N 2.815 122.036 119.070 0.251 0.000 2.934 689 H HA 0.330 4.886 4.556 0.000 0.000 0.340 689 H C -1.478 173.843 175.328 -0.013 0.000 1.008 689 H CA -0.785 55.280 56.048 0.028 0.000 1.317 689 H CB 2.308 32.056 29.762 -0.023 0.000 1.670 689 H HN 0.434 nan 8.280 nan 0.000 0.516 690 L N 4.026 125.218 121.223 -0.051 0.000 2.287 690 L HA 0.438 4.778 4.340 0.000 0.000 0.287 690 L C -1.495 175.283 176.870 -0.153 0.000 1.022 690 L CA -0.246 54.589 54.840 -0.007 0.000 0.814 690 L CB 0.278 42.344 42.059 0.011 0.000 1.217 690 L HN 0.320 nan 8.230 nan 0.000 0.420 691 F N 3.994 123.968 119.950 0.040 0.000 2.449 691 F HA 0.400 4.927 4.527 0.000 0.000 0.342 691 F C 0.870 176.652 175.800 -0.029 0.000 1.127 691 F CA -0.713 57.294 58.000 0.011 0.000 0.975 691 F CB 1.042 40.034 39.000 -0.014 0.000 1.146 691 F HN 0.615 nan 8.300 nan 0.000 0.444 692 N N 2.696 121.473 118.700 0.127 0.000 2.689 692 N HA -0.246 4.494 4.740 0.000 0.000 0.263 692 N C -0.725 174.775 175.510 -0.018 0.000 0.987 692 N CA -0.080 52.994 53.050 0.040 0.000 0.782 692 N CB -0.444 38.057 38.487 0.023 0.000 0.903 692 N HN 0.489 nan 8.380 nan 0.000 0.547 693 L N 1.431 122.653 121.223 -0.003 0.000 2.385 693 L HA 0.082 4.422 4.340 0.000 0.000 0.281 693 L C 0.575 177.416 176.870 -0.049 0.000 1.106 693 L CA -0.030 54.798 54.840 -0.020 0.000 0.856 693 L CB 0.385 42.455 42.059 0.017 0.000 1.186 693 L HN 0.301 nan 8.230 nan 0.000 0.453 694 Q N 2.646 122.355 119.800 -0.151 0.000 2.256 694 Q HA 0.147 4.487 4.340 0.000 0.000 0.232 694 Q C -0.637 175.400 176.000 0.060 0.000 0.965 694 Q CA -0.757 54.971 55.803 -0.125 0.000 0.908 694 Q CB 1.199 29.730 28.738 -0.345 0.000 1.209 694 Q HN 0.546 nan 8.270 nan 0.000 0.489 695 D N -0.539 119.916 120.400 0.092 0.000 2.458 695 D HA 0.154 4.794 4.640 0.000 0.000 0.243 695 D C 0.768 177.192 176.300 0.207 0.000 1.146 695 D CA 1.846 55.917 54.000 0.118 0.000 0.877 695 D CB 0.311 41.157 40.800 0.075 0.000 1.176 695 D HN 0.675 nan 8.370 nan 0.000 0.461 696 G N 2.922 111.798 108.800 0.126 0.000 2.195 696 G HA2 -0.215 3.745 3.960 0.000 0.000 0.246 696 G HA3 -0.215 3.745 3.960 0.000 0.000 0.246 696 G C 0.383 175.259 174.900 -0.040 0.000 0.984 696 G CA 0.322 45.444 45.100 0.038 0.000 0.633 696 G HN 0.714 nan 8.290 nan 0.000 0.525 697 H N 0.190 119.258 119.070 -0.004 0.000 2.615 697 H HA 0.675 5.231 4.556 0.000 0.000 0.346 697 H C -0.437 174.885 175.328 -0.011 0.000 1.200 697 H CA -0.217 55.826 56.048 -0.009 0.000 1.264 697 H CB 2.002 31.759 29.762 -0.008 0.000 1.699 697 H HN 0.365 nan 8.280 nan 0.000 0.567 698 E N 0.525 120.789 120.200 0.106 0.000 2.292 698 E HA 0.560 4.910 4.350 0.000 0.000 0.272 698 E C -1.775 174.851 176.600 0.043 0.000 0.881 698 E CA -0.988 55.439 56.400 0.046 0.000 0.754 698 E CB 2.047 31.749 29.700 0.002 0.000 1.201 698 E HN 0.700 nan 8.360 nan 0.000 0.425 699 A N 3.276 126.110 122.820 0.023 0.000 2.331 699 A HA 0.635 4.955 4.320 0.000 0.000 0.320 699 A C -1.099 176.478 177.584 -0.012 0.000 1.138 699 A CA -0.585 51.463 52.037 0.019 0.000 0.790 699 A CB 1.427 20.449 19.000 0.037 0.000 1.206 699 A HN 0.342 nan 8.150 nan 0.000 0.470 700 V N 1.055 120.962 119.914 -0.012 0.000 2.628 700 V HA 0.548 4.668 4.120 0.000 0.000 0.306 700 V C -0.426 175.664 176.094 -0.008 0.000 1.045 700 V CA -0.592 61.684 62.300 -0.041 0.000 0.905 700 V CB 1.540 33.336 31.823 -0.046 0.000 0.997 700 V HN 1.050 nan 8.190 nan 0.000 0.436 701 C N 4.269 123.549 119.300 -0.033 0.000 2.396 701 C HA 0.627 5.087 4.460 0.000 0.000 0.321 701 C C -0.308 174.700 174.990 0.029 0.000 1.233 701 C CA -0.392 58.659 59.018 0.055 0.000 1.440 701 C CB 0.473 28.288 27.740 0.126 0.000 2.110 701 C HN 1.008 nan 8.230 nan 0.000 0.473 702 E N 4.060 124.299 120.200 0.065 0.000 2.129 702 E HA 0.444 4.794 4.350 0.000 0.000 0.268 702 E C -0.870 175.803 176.600 0.122 0.000 0.900 702 E CA -0.373 56.059 56.400 0.053 0.000 0.755 702 E CB 1.787 31.494 29.700 0.011 0.000 1.117 702 E HN 0.585 nan 8.360 nan 0.000 0.410 703 V N 5.730 125.764 119.914 0.200 0.000 2.432 703 V HA 0.300 4.420 4.120 0.000 0.000 0.275 703 V C -1.937 174.284 176.094 0.211 0.000 1.043 703 V CA -1.654 60.790 62.300 0.240 0.000 0.925 703 V CB 0.789 32.834 31.823 0.370 0.000 0.985 703 V HN 0.590 nan 8.190 nan 0.000 0.466 704 P HA 0.518 nan 4.420 nan 0.000 0.285 704 P C -0.612 176.920 177.300 0.387 0.000 1.269 704 P CA -0.511 62.740 63.100 0.251 0.000 0.844 704 P CB 1.721 33.565 31.700 0.240 0.000 1.094 705 A N 1.416 124.401 122.820 0.274 0.000 2.259 705 A HA 0.518 4.838 4.320 0.000 0.000 0.278 705 A C 1.734 179.506 177.584 0.312 0.000 1.107 705 A CA 0.192 52.361 52.037 0.218 0.000 0.828 705 A CB -0.645 18.410 19.000 0.092 0.000 1.111 705 A HN 0.518 nan 8.150 nan 0.000 0.498 706 A N -0.181 122.690 122.820 0.085 0.000 2.032 706 A HA -0.162 4.158 4.320 0.000 0.000 0.221 706 A C 1.269 178.993 177.584 0.233 0.000 1.165 706 A CA 2.254 54.298 52.037 0.011 0.000 0.645 706 A CB -0.698 18.228 19.000 -0.124 0.000 0.807 706 A HN 0.868 nan 8.150 nan 0.000 0.453 707 D N -2.988 117.543 120.400 0.218 0.000 2.349 707 D HA 0.313 4.953 4.640 0.000 0.000 0.214 707 D C 1.140 177.575 176.300 0.224 0.000 1.063 707 D CA 0.846 54.972 54.000 0.209 0.000 0.847 707 D CB -0.461 40.410 40.800 0.117 0.000 0.933 707 D HN 0.744 nan 8.370 nan 0.000 0.513 708 G N 0.374 109.364 108.800 0.316 0.000 2.199 708 G HA2 -0.305 3.655 3.960 0.000 0.000 0.254 708 G HA3 -0.305 3.655 3.960 0.000 0.000 0.254 708 G C 0.483 175.441 174.900 0.097 0.000 0.982 708 G CA 0.441 45.647 45.100 0.176 0.000 0.632 708 G HN 0.855 nan 8.290 nan 0.000 0.529 709 S N -0.642 115.119 115.700 0.102 0.000 2.584 709 S HA 0.542 5.012 4.470 0.000 0.000 0.270 709 S C 0.441 175.083 174.600 0.070 0.000 1.346 709 S CA -0.022 58.216 58.200 0.062 0.000 1.018 709 S CB 2.038 65.268 63.200 0.050 0.000 0.899 709 S HN 1.056 nan 8.310 nan 0.000 0.542 710 V N 3.418 123.357 119.914 0.042 0.000 2.389 710 V HA 0.199 4.319 4.120 0.000 0.000 0.264 710 V C 1.135 177.256 176.094 0.045 0.000 1.049 710 V CA -0.168 62.159 62.300 0.045 0.000 0.932 710 V CB 0.272 32.103 31.823 0.013 0.000 1.011 710 V HN 0.977 nan 8.190 nan 0.000 0.475 711 I N 4.375 124.986 120.570 0.068 0.000 2.852 711 I HA 0.215 4.385 4.170 0.000 0.000 0.264 711 I C 0.179 176.379 176.117 0.138 0.000 1.179 711 I CA 0.824 62.146 61.300 0.035 0.000 1.480 711 I CB 0.432 38.371 38.000 -0.100 0.000 1.111 711 I HN 0.537 nan 8.210 nan 0.000 0.441 712 F N -0.070 119.877 119.950 -0.005 0.000 2.596 712 F HA 0.415 4.942 4.527 0.000 0.000 0.311 712 F C -0.970 174.827 175.800 -0.004 0.000 1.116 712 F CA -0.472 57.531 58.000 0.004 0.000 0.957 712 F CB 1.778 40.805 39.000 0.046 0.000 1.250 712 F HN -0.398 nan 8.300 nan 0.000 0.444 713 T N 6.476 120.578 114.554 -0.753 0.000 2.824 713 T HA 0.543 4.893 4.350 0.000 0.000 0.282 713 T C -1.153 172.951 174.700 -0.993 0.000 0.993 713 T CA -0.572 61.164 62.100 -0.605 0.000 0.967 713 T CB 1.463 70.124 68.868 -0.345 0.000 0.960 713 T HN 0.510 nan 8.240 nan 0.000 0.441 714 L N 3.140 123.945 121.223 -0.697 0.000 2.346 714 L HA 0.628 4.968 4.340 0.000 0.000 0.274 714 L C -0.506 176.139 176.870 -0.374 0.000 1.007 714 L CA -0.815 53.636 54.840 -0.648 0.000 0.818 714 L CB 1.709 43.243 42.059 -0.876 0.000 1.284 714 L HN 0.515 nan 8.230 nan 0.000 0.424 715 K N 2.942 123.175 120.400 -0.278 0.000 2.427 715 K HA 0.702 5.022 4.320 0.000 0.000 0.252 715 K C -1.199 175.333 176.600 -0.113 0.000 0.931 715 K CA -0.619 55.571 56.287 -0.162 0.000 0.793 715 K CB 2.570 34.993 32.500 -0.128 0.000 1.211 715 K HN 0.590 nan 8.250 nan 0.000 0.426 716 A N 1.722 124.500 122.820 -0.070 0.000 2.311 716 A HA 0.763 5.083 4.320 0.000 0.000 0.306 716 A C -1.097 176.483 177.584 -0.007 0.000 1.189 716 A CA -0.605 51.414 52.037 -0.031 0.000 0.791 716 A CB 1.188 20.177 19.000 -0.018 0.000 1.172 716 A HN 0.700 nan 8.150 nan 0.000 0.481 717 A N 2.687 125.507 122.820 0.000 0.000 2.343 717 A HA 0.795 5.115 4.320 0.000 0.000 0.316 717 A C -0.157 177.440 177.584 0.022 0.000 1.104 717 A CA -0.659 51.384 52.037 0.011 0.000 0.768 717 A CB 0.959 19.957 19.000 -0.002 0.000 1.213 717 A HN 0.892 nan 8.150 nan 0.000 0.456 718 R N 1.163 121.687 120.500 0.038 0.000 2.387 718 R HA 0.620 4.960 4.340 0.000 0.000 0.314 718 R C -1.001 175.322 176.300 0.038 0.000 0.958 718 R CA 0.003 56.127 56.100 0.040 0.000 0.846 718 R CB 1.458 31.789 30.300 0.052 0.000 1.147 718 R HN 0.714 nan 8.270 nan 0.000 0.447 719 T N 2.942 117.512 114.554 0.027 0.000 2.881 719 T HA 0.526 4.876 4.350 0.000 0.000 0.291 719 T C 0.542 175.254 174.700 0.021 0.000 0.990 719 T CA 0.623 62.736 62.100 0.022 0.000 0.976 719 T CB 1.139 70.014 68.868 0.011 0.000 0.970 719 T HN 0.911 nan 8.240 nan 0.000 0.438 720 G N 5.695 114.510 108.800 0.024 0.000 2.596 720 G HA2 -0.301 3.659 3.960 0.000 0.000 0.304 720 G HA3 -0.301 3.659 3.960 0.000 0.000 0.304 720 G C 0.496 175.410 174.900 0.024 0.000 1.189 720 G CA 0.515 45.628 45.100 0.022 0.000 0.986 720 G HN 0.722 nan 8.290 nan 0.000 0.548 721 N N 1.340 120.052 118.700 0.019 0.000 2.214 721 N HA 0.298 5.038 4.740 0.000 0.000 0.214 721 N C -0.161 175.360 175.510 0.017 0.000 1.132 721 N CA 0.754 53.817 53.050 0.021 0.000 0.856 721 N CB 0.756 39.254 38.487 0.017 0.000 1.020 721 N HN 0.493 nan 8.380 nan 0.000 0.509 722 T N 1.506 116.070 114.554 0.016 0.000 2.758 722 T HA 0.456 4.806 4.350 0.000 0.000 0.285 722 T C 0.280 174.991 174.700 0.019 0.000 0.981 722 T CA -0.555 61.553 62.100 0.014 0.000 0.965 722 T CB 1.137 70.011 68.868 0.009 0.000 0.927 722 T HN 0.138 nan 8.240 nan 0.000 0.448 723 I N 1.604 122.187 120.570 0.021 0.000 2.354 723 I HA 0.602 4.772 4.170 0.000 0.000 0.292 723 I C -0.518 175.611 176.117 0.020 0.000 0.989 723 I CA -0.350 60.964 61.300 0.022 0.000 1.188 723 I CB 1.430 39.445 38.000 0.025 0.000 1.342 723 I HN 0.373 nan 8.210 nan 0.000 0.457 724 T N 6.623 121.186 114.554 0.016 0.000 2.767 724 T HA 0.483 4.833 4.350 0.000 0.000 0.284 724 T C -0.203 174.504 174.700 0.011 0.000 0.973 724 T CA -0.429 61.679 62.100 0.014 0.000 0.996 724 T CB 1.473 70.346 68.868 0.008 0.000 0.927 724 T HN 0.426 nan 8.240 nan 0.000 0.456 725 V N 4.404 124.332 119.914 0.024 0.000 2.417 725 V HA 0.658 4.779 4.120 0.000 0.000 0.291 725 V C 0.253 176.365 176.094 0.029 0.000 1.024 725 V CA -0.867 61.446 62.300 0.022 0.000 0.861 725 V CB 1.467 33.328 31.823 0.064 0.000 0.985 725 V HN 1.100 nan 8.190 nan 0.000 0.436 726 T N 1.101 115.640 114.554 -0.024 0.000 2.879 726 T HA 0.767 5.117 4.350 0.000 0.000 0.290 726 T C -0.092 174.533 174.700 -0.125 0.000 0.993 726 T CA -0.561 61.522 62.100 -0.029 0.000 0.975 726 T CB 1.747 70.592 68.868 -0.039 0.000 0.981 726 T HN 0.907 nan 8.240 nan 0.000 0.439 727 G N 0.770 109.527 108.800 -0.072 0.000 2.416 727 G HA2 0.746 4.706 3.960 0.000 0.000 0.329 727 G HA3 0.746 4.706 3.960 0.000 0.000 0.329 727 G C -0.974 173.801 174.900 -0.209 0.000 1.173 727 G CA -1.044 43.887 45.100 -0.282 0.000 0.929 727 G HN 1.175 nan 8.290 nan 0.000 0.475 728 A N 0.708 123.240 122.820 -0.480 0.000 2.381 728 A HA 1.007 5.327 4.320 0.000 0.000 0.299 728 A C 0.440 177.936 177.584 -0.146 0.000 1.049 728 A CA 0.379 52.303 52.037 -0.188 0.000 0.715 728 A CB 1.278 20.180 19.000 -0.162 0.000 1.222 728 A HN 2.574 nan 8.150 nan 0.000 0.428 729 G N 0.758 109.632 108.800 0.124 0.000 2.378 729 G HA2 0.132 4.092 3.960 0.000 0.000 0.198 729 G HA3 0.132 4.092 3.960 0.000 0.000 0.198 729 G C -0.482 174.652 174.900 0.391 0.000 1.223 729 G CA -0.035 45.201 45.100 0.226 0.000 1.088 729 G HN 1.147 nan 8.290 nan 0.000 0.530 730 E N 0.428 120.822 120.200 0.325 0.000 2.129 730 E HA 0.643 4.994 4.350 0.000 0.000 0.268 730 E C -0.242 176.414 176.600 0.092 0.000 0.900 730 E CA -0.184 56.324 56.400 0.180 0.000 0.755 730 E CB 1.091 30.824 29.700 0.055 0.000 1.117 730 E HN 1.651 nan 8.360 nan 0.000 0.410 731 A N 3.985 126.801 122.820 -0.007 0.000 2.604 731 A HA 0.636 4.956 4.320 0.000 0.000 0.295 731 A C -1.638 176.024 177.584 0.130 0.000 1.067 731 A CA -0.904 51.103 52.037 -0.050 0.000 0.683 731 A CB 1.683 20.194 19.000 -0.816 0.000 1.281 731 A HN 0.478 nan 8.150 nan 0.000 0.407 732 K N 1.253 121.753 120.400 0.168 0.000 2.371 732 K HA 0.624 4.944 4.320 0.000 0.000 0.251 732 K C -0.081 176.583 176.600 0.106 0.000 0.934 732 K CA -0.561 55.791 56.287 0.109 0.000 0.798 732 K CB 1.269 33.795 32.500 0.044 0.000 1.204 732 K HN 0.665 nan 8.250 nan 0.000 0.427 733 N N 2.260 120.946 118.700 -0.024 0.000 2.725 733 N HA -0.165 4.575 4.740 0.000 0.000 0.251 733 N C -1.073 174.462 175.510 0.043 0.000 1.031 733 N CA 0.772 53.790 53.050 -0.054 0.000 0.720 733 N CB -0.224 38.250 38.487 -0.022 0.000 0.930 733 N HN 0.595 nan 8.380 nan 0.000 0.543 734 W N -0.815 120.495 121.300 0.018 0.000 2.481 734 W HA 0.739 5.399 4.660 0.000 0.000 0.369 734 W C -0.155 176.424 176.519 0.101 0.000 1.235 734 W CA -0.558 56.827 57.345 0.066 0.000 1.344 734 W CB 0.785 30.352 29.460 0.178 0.000 1.360 734 W HN -0.095 nan 8.180 nan 0.000 0.658 735 T N 1.948 116.860 114.554 0.597 0.000 2.894 735 T HA 0.416 4.766 4.350 0.000 0.000 0.309 735 T C -1.577 173.418 174.700 0.493 0.000 1.208 735 T CA -0.737 61.581 62.100 0.363 0.000 1.016 735 T CB 1.758 70.706 68.868 0.134 0.000 1.192 735 T HN 0.438 nan 8.240 nan 0.000 0.491 736 L N 3.191 124.615 121.223 0.336 0.000 2.343 736 L HA 0.619 4.959 4.340 0.000 0.000 0.278 736 L C -0.692 176.213 176.870 0.059 0.000 0.996 736 L CA -0.546 54.441 54.840 0.245 0.000 0.831 736 L CB 0.862 43.085 42.059 0.273 0.000 1.232 736 L HN 0.851 nan 8.230 nan 0.000 0.413 737 C N 6.711 125.962 119.300 -0.082 0.000 2.307 737 C HA 0.446 4.906 4.460 0.000 0.000 0.340 737 C C 0.357 175.311 174.990 -0.061 0.000 1.275 737 C CA -0.714 58.245 59.018 -0.099 0.000 1.811 737 C CB -0.107 27.509 27.740 -0.207 0.000 2.372 737 C HN 0.759 nan 8.230 nan 0.000 0.531 738 L N 8.118 129.324 121.223 -0.029 0.000 2.328 738 L HA 0.366 4.706 4.340 0.000 0.000 0.280 738 L C 0.514 177.349 176.870 -0.059 0.000 1.111 738 L CA -0.244 54.574 54.840 -0.036 0.000 0.909 738 L CB -0.295 41.764 42.059 -0.000 0.000 1.277 738 L HN 0.616 nan 8.230 nan 0.000 0.433 739 R N 3.488 123.898 120.500 -0.150 0.000 2.522 739 R HA 0.007 4.347 4.340 0.000 0.000 0.284 739 R C 0.572 176.835 176.300 -0.061 0.000 1.032 739 R CA 0.002 56.001 56.100 -0.169 0.000 1.049 739 R CB 0.021 30.029 30.300 -0.488 0.000 0.956 739 R HN 0.585 nan 8.270 nan 0.000 0.422 740 N N -0.479 118.215 118.700 -0.009 0.000 2.741 740 N HA -0.168 4.572 4.740 0.000 0.000 0.251 740 N C -0.948 174.569 175.510 0.011 0.000 1.112 740 N CA 0.911 53.972 53.050 0.019 0.000 0.750 740 N CB -1.040 37.473 38.487 0.044 0.000 1.119 740 N HN 0.277 nan 8.380 nan 0.000 0.561 741 V N 1.370 121.286 119.914 0.004 0.000 2.357 741 V HA 0.270 4.390 4.120 0.000 0.000 0.284 741 V C 1.546 177.641 176.094 0.002 0.000 1.018 741 V CA -0.425 61.878 62.300 0.004 0.000 0.841 741 V CB 1.775 33.606 31.823 0.014 0.000 0.991 741 V HN 0.103 nan 8.190 nan 0.000 0.437 742 V N 1.781 121.686 119.914 -0.015 0.000 3.174 742 V HA 0.370 4.490 4.120 0.000 0.000 0.254 742 V C 0.622 176.702 176.094 -0.023 0.000 1.120 742 V CA 0.723 63.013 62.300 -0.017 0.000 1.114 742 V CB -0.284 31.523 31.823 -0.026 0.000 0.756 742 V HN 0.697 nan 8.190 nan 0.000 0.467 743 K N -0.333 120.039 120.400 -0.046 0.000 2.523 743 K HA 0.682 5.002 4.320 0.000 0.000 0.257 743 K C -2.087 174.591 176.600 0.130 0.000 0.932 743 K CA -0.515 55.758 56.287 -0.024 0.000 0.812 743 K CB 3.221 35.598 32.500 -0.205 0.000 1.326 743 K HN 0.014 nan 8.250 nan 0.000 0.433 744 V N 3.334 123.402 119.914 0.258 0.000 2.680 744 V HA 0.153 4.273 4.120 0.000 0.000 0.309 744 V C 0.739 176.924 176.094 0.152 0.000 1.052 744 V CA -0.593 61.865 62.300 0.263 0.000 0.908 744 V CB 1.754 33.645 31.823 0.114 0.000 1.001 744 V HN 0.952 nan 8.190 nan 0.000 0.431 745 N N 2.763 121.360 118.700 -0.172 0.000 2.188 745 N HA 0.144 4.884 4.740 0.000 0.000 0.184 745 N C 0.405 175.847 175.510 -0.113 0.000 1.018 745 N CA 1.388 54.241 53.050 -0.328 0.000 0.858 745 N CB 0.155 38.407 38.487 -0.390 0.000 0.989 745 N HN 0.915 nan 8.380 nan 0.000 0.426 746 G N -1.187 107.581 108.800 -0.053 0.000 2.466 746 G HA2 0.447 4.407 3.960 0.000 0.000 0.291 746 G HA3 0.447 4.407 3.960 0.000 0.000 0.291 746 G C -2.271 172.627 174.900 -0.004 0.000 1.460 746 G CA -0.715 44.372 45.100 -0.023 0.000 0.791 746 G HN 0.129 nan 8.290 nan 0.000 0.505 747 L N 0.481 121.705 121.223 0.001 0.000 2.516 747 L HA 0.489 4.829 4.340 0.000 0.000 0.267 747 L C -1.065 175.808 176.870 0.005 0.000 0.957 747 L CA -0.870 53.975 54.840 0.009 0.000 0.860 747 L CB 2.097 44.163 42.059 0.013 0.000 1.265 747 L HN 0.533 nan 8.230 nan 0.000 0.403 748 Q N 3.056 122.860 119.800 0.008 0.000 2.256 748 Q HA 0.322 4.662 4.340 0.000 0.000 0.257 748 Q C -0.616 175.389 176.000 0.009 0.000 0.936 748 Q CA -0.536 55.271 55.803 0.006 0.000 0.903 748 Q CB 1.710 30.452 28.738 0.007 0.000 1.263 748 Q HN 0.611 nan 8.270 nan 0.000 0.440 749 D N 0.475 120.877 120.400 0.004 0.000 2.800 749 D HA -0.126 4.514 4.640 0.000 0.000 0.232 749 D C -0.255 176.040 176.300 -0.009 0.000 1.137 749 D CA 1.759 55.759 54.000 0.000 0.000 0.718 749 D CB -0.898 39.908 40.800 0.011 0.000 1.084 749 D HN 0.861 nan 8.370 nan 0.000 0.432 750 G N -1.678 107.114 108.800 -0.013 0.000 2.601 750 G HA2 0.567 4.527 3.960 0.000 0.000 0.291 750 G HA3 0.567 4.527 3.960 0.000 0.000 0.291 750 G C -0.485 174.402 174.900 -0.020 0.000 1.456 750 G CA 0.015 45.099 45.100 -0.027 0.000 0.804 750 G HN 0.365 nan 8.290 nan 0.000 0.499 751 S N -0.807 114.875 115.700 -0.030 0.000 2.672 751 S HA 0.782 5.252 4.470 0.000 0.000 0.276 751 S C -0.148 174.447 174.600 -0.008 0.000 1.207 751 S CA -0.562 57.627 58.200 -0.018 0.000 1.002 751 S CB 1.717 64.903 63.200 -0.024 0.000 0.998 751 S HN 1.108 nan 8.310 nan 0.000 0.542 752 Q N -0.417 119.383 119.800 0.001 0.000 2.456 752 Q HA 0.817 5.157 4.340 0.000 0.000 0.283 752 Q C -1.539 174.467 176.000 0.011 0.000 1.084 752 Q CA -1.538 54.271 55.803 0.010 0.000 0.801 752 Q CB 2.066 30.815 28.738 0.019 0.000 1.434 752 Q HN 1.062 nan 8.270 nan 0.000 0.419 753 A N 1.188 124.017 122.820 0.015 0.000 2.566 753 A HA 0.421 4.741 4.320 0.000 0.000 0.297 753 A C -1.233 176.364 177.584 0.021 0.000 1.059 753 A CA -0.789 51.258 52.037 0.016 0.000 0.691 753 A CB 1.689 20.697 19.000 0.013 0.000 1.282 753 A HN 0.761 nan 8.150 nan 0.000 0.401 754 E N 0.856 121.069 120.200 0.022 0.000 2.392 754 E HA 0.403 4.753 4.350 0.000 0.000 0.264 754 E C 0.320 176.938 176.600 0.030 0.000 1.024 754 E CA 0.610 57.025 56.400 0.025 0.000 0.903 754 E CB 0.790 30.503 29.700 0.022 0.000 0.963 754 E HN 0.773 nan 8.360 nan 0.000 0.432 755 S N 0.636 116.357 115.700 0.036 0.000 2.618 755 S HA 0.113 4.583 4.470 0.000 0.000 0.277 755 S C 0.884 175.515 174.600 0.051 0.000 1.138 755 S CA -0.780 57.448 58.200 0.047 0.000 0.844 755 S CB 1.573 64.808 63.200 0.059 0.000 1.127 755 S HN 0.654 nan 8.310 nan 0.000 0.474 756 E N 1.120 121.356 120.200 0.061 0.000 2.118 756 E HA -0.288 4.062 4.350 0.000 0.000 0.195 756 E C 1.154 177.797 176.600 0.072 0.000 0.992 756 E CA 1.586 58.026 56.400 0.066 0.000 0.804 756 E CB -0.556 29.191 29.700 0.078 0.000 0.741 756 E HN 0.860 nan 8.360 nan 0.000 0.458 757 Q N 0.767 120.617 119.800 0.083 0.000 2.392 757 Q HA 0.320 4.660 4.340 0.000 0.000 0.203 757 Q C 0.741 176.772 176.000 0.052 0.000 0.917 757 Q CA 0.381 56.234 55.803 0.083 0.000 0.939 757 Q CB 0.981 29.786 28.738 0.112 0.000 1.063 757 Q HN 0.355 nan 8.270 nan 0.000 0.516 758 G N 0.746 109.573 108.800 0.045 0.000 2.355 758 G HA2 -0.020 3.940 3.960 0.000 0.000 0.619 758 G HA3 -0.020 3.940 3.960 0.000 0.000 0.619 758 G C -1.577 173.339 174.900 0.027 0.000 1.337 758 G CA -1.258 43.858 45.100 0.027 0.000 0.993 758 G HN 0.010 nan 8.290 nan 0.000 0.599 759 L N 0.026 121.262 121.223 0.021 0.000 2.640 759 L HA 0.296 4.636 4.340 0.000 0.000 0.280 759 L C 0.921 177.803 176.870 0.021 0.000 1.229 759 L CA 0.280 55.135 54.840 0.024 0.000 0.919 759 L CB 0.731 42.807 42.059 0.028 0.000 1.168 759 L HN 0.531 nan 8.230 nan 0.000 0.496 760 V N 6.145 126.073 119.914 0.023 0.000 2.333 760 V HA 0.294 4.414 4.120 0.000 0.000 0.274 760 V C 0.134 176.242 176.094 0.024 0.000 1.028 760 V CA -0.723 61.589 62.300 0.020 0.000 0.851 760 V CB 1.409 33.244 31.823 0.020 0.000 1.000 760 V HN 0.427 nan 8.190 nan 0.000 0.456 761 V N 5.124 125.060 119.914 0.036 0.000 2.509 761 V HA 0.448 4.568 4.120 0.000 0.000 0.284 761 V C 0.097 176.206 176.094 0.024 0.000 1.047 761 V CA -0.665 61.655 62.300 0.034 0.000 0.952 761 V CB 1.728 33.584 31.823 0.054 0.000 0.988 761 V HN 0.885 nan 8.190 nan 0.000 0.469 762 K N 8.076 128.461 120.400 -0.025 0.000 2.274 762 K HA 0.586 4.906 4.320 0.000 0.000 0.262 762 K C -2.757 173.754 176.600 -0.148 0.000 0.961 762 K CA -1.932 54.295 56.287 -0.100 0.000 0.833 762 K CB 2.089 34.535 32.500 -0.090 0.000 1.102 762 K HN 0.370 nan 8.250 nan 0.000 0.436 763 P HA 0.172 nan 4.420 nan 0.000 0.281 763 P C -1.509 175.668 177.300 -0.206 0.000 1.249 763 P CA -0.299 62.648 63.100 -0.255 0.000 0.810 763 P CB 0.996 32.407 31.700 -0.481 0.000 1.008 764 Q N 1.345 121.079 119.800 -0.110 0.000 3.025 764 Q HA 0.509 4.849 4.340 0.000 0.000 0.216 764 Q C -0.033 175.947 176.000 -0.034 0.000 0.828 764 Q CA -0.646 55.109 55.803 -0.079 0.000 0.806 764 Q CB 0.620 29.318 28.738 -0.067 0.000 1.423 764 Q HN 0.759 nan 8.270 nan 0.000 0.455 765 G N 2.467 111.257 108.800 -0.015 0.000 3.288 765 G HA2 -0.212 3.748 3.960 0.000 0.000 0.195 765 G HA3 -0.212 3.748 3.960 0.000 0.000 0.195 765 G C 0.242 175.165 174.900 0.038 0.000 1.093 765 G CA -0.221 44.885 45.100 0.011 0.000 0.852 765 G HN 0.562 nan 8.290 nan 0.000 0.453 766 N N -0.516 118.214 118.700 0.050 0.000 2.729 766 N HA 0.041 4.781 4.740 0.000 0.000 0.259 766 N C 0.860 176.403 175.510 0.055 0.000 1.119 766 N CA 1.789 54.888 53.050 0.081 0.000 0.679 766 N CB -1.069 37.492 38.487 0.123 0.000 0.892 766 N HN 1.478 nan 8.380 nan 0.000 0.558 767 A N 1.282 124.128 122.820 0.043 0.000 2.063 767 A HA 0.243 4.563 4.320 0.000 0.000 0.211 767 A C 1.596 179.211 177.584 0.050 0.000 1.177 767 A CA 0.488 52.547 52.037 0.037 0.000 0.759 767 A CB 0.085 19.100 19.000 0.024 0.000 0.857 767 A HN 0.671 nan 8.150 nan 0.000 0.468 768 L N 0.921 122.180 121.223 0.061 0.000 4.571 768 L HA -0.226 4.114 4.340 0.000 0.000 0.547 768 L C 0.671 177.572 176.870 0.053 0.000 0.909 768 L CA 0.818 55.698 54.840 0.066 0.000 0.901 768 L CB -1.537 40.597 42.059 0.125 0.000 1.881 768 L HN 0.468 nan 8.230 nan 0.000 0.984 769 T N 0.104 114.680 114.554 0.036 0.000 2.930 769 T HA 0.363 4.713 4.350 0.000 0.000 0.306 769 T C -0.018 174.698 174.700 0.026 0.000 1.045 769 T CA -0.180 61.937 62.100 0.028 0.000 1.134 769 T CB 0.409 69.289 68.868 0.019 0.000 0.961 769 T HN 0.358 nan 8.240 nan 0.000 0.545 770 I N 2.154 122.739 120.570 0.026 0.000 2.569 770 I HA 0.637 4.807 4.170 0.000 0.000 0.296 770 I C -0.489 175.639 176.117 0.018 0.000 1.028 770 I CA -0.303 61.011 61.300 0.025 0.000 1.082 770 I CB 2.377 40.398 38.000 0.035 0.000 1.264 770 I HN 0.447 nan 8.210 nan 0.000 0.429 771 T N 7.311 121.870 114.554 0.008 0.000 2.772 771 T HA 0.595 4.945 4.350 0.000 0.000 0.288 771 T C 0.175 174.872 174.700 -0.005 0.000 0.994 771 T CA -0.433 61.664 62.100 -0.006 0.000 0.951 771 T CB 0.610 69.461 68.868 -0.028 0.000 0.933 771 T HN 0.525 nan 8.240 nan 0.000 0.447 772 L N 2.840 124.074 121.223 0.018 0.000 2.472 772 L HA 0.343 4.683 4.340 0.000 0.000 0.260 772 L C 1.479 178.365 176.870 0.026 0.000 1.209 772 L CA -0.950 53.930 54.840 0.066 0.000 0.817 772 L CB 0.293 42.394 42.059 0.071 0.000 1.106 772 L HN 0.606 nan 8.230 nan 0.000 0.479 773 H N 0.000 119.077 119.070 0.012 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.055 56.048 0.012 0.000 1.023 773 H CB 0.000 29.769 29.762 0.012 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496