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 1xsk_1_E 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 55.161 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.373 32.600 -0.379 0.000 1.302 2 K N 4.783 125.068 120.400 -0.192 0.000 2.416 2 K HA 0.301 4.621 4.320 0.000 0.000 0.283 2 K C 0.190 176.654 176.600 -0.226 0.000 1.037 2 K CA 0.265 56.445 56.287 -0.178 0.000 0.995 2 K CB 0.678 33.099 32.500 -0.131 0.000 0.938 2 K HN 0.699 nan 8.250 nan 0.000 0.475 3 I N 0.271 120.693 120.570 -0.246 0.000 3.345 3 I HA -0.101 4.069 4.170 0.000 0.000 0.258 3 I C 0.984 176.976 176.117 -0.207 0.000 1.134 3 I CA 0.152 61.272 61.300 -0.299 0.000 1.457 3 I CB -0.008 37.704 38.000 -0.480 0.000 1.425 3 I HN 0.507 nan 8.210 nan 0.000 0.461 4 S N 0.515 116.109 115.700 -0.176 0.000 2.632 4 S HA 0.157 4.627 4.470 0.000 0.000 0.267 4 S C -0.305 174.237 174.600 -0.097 0.000 1.276 4 S CA -0.389 57.739 58.200 -0.120 0.000 0.998 4 S CB 1.579 64.710 63.200 -0.115 0.000 0.953 4 S HN 0.271 nan 8.310 nan 0.000 0.547 5 D N -0.098 120.261 120.400 -0.068 0.000 2.502 5 D HA 0.496 5.136 4.640 0.000 0.000 0.301 5 D C 0.546 176.823 176.300 -0.040 0.000 1.202 5 D CA 0.727 54.699 54.000 -0.047 0.000 0.878 5 D CB -0.106 40.681 40.800 -0.023 0.000 1.062 5 D HN 1.138 nan 8.370 nan 0.000 0.499 6 G N 2.513 111.268 108.800 -0.075 0.000 2.698 6 G HA2 -0.310 3.650 3.960 0.000 0.000 0.225 6 G HA3 -0.310 3.650 3.960 0.000 0.000 0.225 6 G C 0.646 175.422 174.900 -0.206 0.000 1.345 6 G CA -0.107 44.929 45.100 -0.106 0.000 0.871 6 G HN 0.448 nan 8.290 nan 0.000 0.540 7 N N -0.783 117.670 118.700 -0.412 0.000 2.354 7 N HA 0.053 4.793 4.740 0.000 0.000 0.179 7 N C 1.856 176.962 175.510 -0.674 0.000 1.021 7 N CA 2.281 54.924 53.050 -0.678 0.000 0.887 7 N CB -0.082 37.754 38.487 -1.086 0.000 0.974 7 N HN 0.619 nan 8.380 nan 0.000 0.437 8 W N -0.158 121.138 121.300 -0.006 0.000 2.762 8 W HA 0.372 5.032 4.660 0.000 0.000 0.265 8 W C 0.262 176.780 176.519 -0.002 0.000 1.263 8 W CA -0.594 56.750 57.345 -0.002 0.000 1.411 8 W CB 0.273 29.732 29.460 -0.001 0.000 1.065 8 W HN -0.134 nan 8.180 nan 0.000 0.609 9 L N -0.012 121.302 121.223 0.150 0.000 2.260 9 L HA 0.647 4.987 4.340 0.000 0.000 0.265 9 L C -0.183 176.701 176.870 0.024 0.000 1.015 9 L CA -1.356 53.538 54.840 0.090 0.000 0.826 9 L CB 1.363 43.469 42.059 0.079 0.000 1.373 9 L HN -0.307 nan 8.230 nan 0.000 0.450 10 I N -0.320 120.257 120.570 0.012 0.000 2.740 10 I HA 0.252 4.423 4.170 0.000 0.000 0.303 10 I C -0.515 175.581 176.117 -0.034 0.000 1.044 10 I CA -0.984 60.302 61.300 -0.024 0.000 1.064 10 I CB 2.041 40.031 38.000 -0.017 0.000 1.249 10 I HN 0.493 nan 8.210 nan 0.000 0.433 11 Q N 3.733 123.494 119.800 -0.064 0.000 2.330 11 Q HA 0.166 4.506 4.340 0.000 0.000 0.279 11 Q C -2.268 173.704 176.000 -0.047 0.000 1.024 11 Q CA -1.400 54.366 55.803 -0.062 0.000 0.900 11 Q CB -0.021 28.662 28.738 -0.091 0.000 1.221 11 Q HN 0.213 nan 8.270 nan 0.000 0.396 12 P HA -0.025 nan 4.420 nan 0.000 0.262 12 P C 0.570 177.852 177.300 -0.029 0.000 1.182 12 P CA 1.165 64.250 63.100 -0.025 0.000 0.761 12 P CB 0.372 32.061 31.700 -0.019 0.000 0.795 13 G N 1.979 110.765 108.800 -0.023 0.000 2.176 13 G HA2 -0.222 3.738 3.960 0.000 0.000 0.253 13 G HA3 -0.222 3.738 3.960 0.000 0.000 0.253 13 G C -0.123 174.758 174.900 -0.032 0.000 0.979 13 G CA -0.369 44.718 45.100 -0.023 0.000 0.641 13 G HN 0.454 nan 8.290 nan 0.000 0.530 14 L N 0.944 122.140 121.223 -0.045 0.000 2.309 14 L HA 0.527 4.867 4.340 0.000 0.000 0.282 14 L C -0.534 176.303 176.870 -0.056 0.000 1.036 14 L CA -0.984 53.817 54.840 -0.065 0.000 0.806 14 L CB 1.331 43.329 42.059 -0.101 0.000 1.220 14 L HN 0.016 nan 8.230 nan 0.000 0.429 15 N N 4.829 123.493 118.700 -0.059 0.000 2.399 15 N HA 0.555 5.295 4.740 0.000 0.000 0.280 15 N C -1.041 174.430 175.510 -0.065 0.000 1.008 15 N CA -0.416 52.609 53.050 -0.041 0.000 0.894 15 N CB 2.485 40.963 38.487 -0.014 0.000 1.273 15 N HN 0.413 nan 8.380 nan 0.000 0.486 16 L N 2.608 123.785 121.223 -0.077 0.000 2.334 16 L HA 0.678 5.018 4.340 0.000 0.000 0.276 16 L C 0.231 176.959 176.870 -0.237 0.000 1.014 16 L CA -1.105 53.642 54.840 -0.155 0.000 0.815 16 L CB 1.479 43.433 42.059 -0.175 0.000 1.268 16 L HN 0.429 nan 8.230 nan 0.000 0.428 17 I N -1.371 119.065 120.570 -0.224 0.000 2.498 17 I HA 0.576 4.746 4.170 0.000 0.000 0.290 17 I C -0.987 175.060 176.117 -0.118 0.000 1.032 17 I CA -0.546 60.680 61.300 -0.122 0.000 1.073 17 I CB 2.079 40.105 38.000 0.042 0.000 1.251 17 I HN 0.533 nan 8.210 nan 0.000 0.426 18 H N 4.551 123.736 119.070 0.191 0.000 2.731 18 H HA 0.498 5.054 4.556 0.000 0.000 0.368 18 H C -2.680 172.569 175.328 -0.131 0.000 1.168 18 H CA -2.151 53.853 56.048 -0.073 0.000 1.181 18 H CB 2.343 32.030 29.762 -0.124 0.000 1.743 18 H HN 0.455 nan 8.280 nan 0.000 0.547 19 P HA 0.159 nan 4.420 nan 0.000 0.280 19 P C 0.402 177.153 177.300 -0.915 0.000 1.386 19 P CA -0.116 62.674 63.100 -0.517 0.000 0.899 19 P CB 0.475 31.683 31.700 -0.820 0.000 1.098 20 L N 1.827 122.793 121.223 -0.428 0.000 2.585 20 L HA 0.233 4.574 4.340 0.000 0.000 0.226 20 L C 1.154 177.991 176.870 -0.055 0.000 1.113 20 L CA 0.562 55.230 54.840 -0.288 0.000 0.876 20 L CB 0.070 42.101 42.059 -0.047 0.000 1.072 20 L HN 0.428 nan 8.230 nan 0.000 0.468 21 Q N 0.204 119.992 119.800 -0.020 0.000 2.378 21 Q HA 0.260 4.600 4.340 0.000 0.000 0.262 21 Q C -1.405 174.811 176.000 0.360 0.000 0.978 21 Q CA -0.395 55.569 55.803 0.269 0.000 0.918 21 Q CB 2.708 31.544 28.738 0.163 0.000 1.415 21 Q HN -0.162 nan 8.270 nan 0.000 0.409 22 V N 5.100 125.323 119.914 0.515 0.000 2.585 22 V HA 0.023 4.143 4.120 0.000 0.000 0.296 22 V C 0.455 176.758 176.094 0.348 0.000 1.035 22 V CA 0.873 63.447 62.300 0.456 0.000 1.084 22 V CB 0.419 32.448 31.823 0.343 0.000 0.953 22 V HN 0.828 nan 8.190 nan 0.000 0.483 23 F N 3.162 123.250 119.950 0.230 0.000 2.602 23 F HA 0.397 4.924 4.527 0.000 0.000 0.284 23 F C 0.822 176.728 175.800 0.177 0.000 1.111 23 F CA 0.456 58.560 58.000 0.175 0.000 1.405 23 F CB 0.593 39.693 39.000 0.166 0.000 1.121 23 F HN 0.567 nan 8.300 nan 0.000 0.603 24 E N 0.562 120.837 120.200 0.126 0.000 2.400 24 E HA 0.436 4.786 4.350 0.000 0.000 0.285 24 E C -2.094 174.654 176.600 0.245 0.000 1.005 24 E CA -0.597 55.831 56.400 0.047 0.000 0.816 24 E CB 2.063 31.753 29.700 -0.017 0.000 1.220 24 E HN -0.128 nan 8.360 nan 0.000 0.426 25 V N 2.950 122.952 119.914 0.145 0.000 2.628 25 V HA 0.586 4.706 4.120 0.000 0.000 0.306 25 V C -0.472 175.705 176.094 0.138 0.000 1.045 25 V CA -0.525 61.856 62.300 0.136 0.000 0.905 25 V CB 1.759 33.634 31.823 0.087 0.000 0.997 25 V HN 0.696 nan 8.190 nan 0.000 0.436 26 E N 2.804 123.084 120.200 0.134 0.000 2.321 26 E HA 0.417 4.767 4.350 0.000 0.000 0.278 26 E C -1.413 175.250 176.600 0.106 0.000 0.902 26 E CA -0.649 55.832 56.400 0.135 0.000 0.758 26 E CB 2.326 32.156 29.700 0.216 0.000 1.213 26 E HN 0.748 nan 8.360 nan 0.000 0.426 27 Q N 3.360 123.219 119.800 0.097 0.000 2.271 27 Q HA 0.297 4.637 4.340 0.000 0.000 0.258 27 Q C -1.311 174.741 176.000 0.088 0.000 0.936 27 Q CA -0.447 55.415 55.803 0.099 0.000 0.909 27 Q CB 1.367 30.161 28.738 0.094 0.000 1.253 27 Q HN 0.485 nan 8.270 nan 0.000 0.440 28 Q N 4.336 124.188 119.800 0.086 0.000 2.347 28 Q HA 0.241 4.581 4.340 0.000 0.000 0.265 28 Q C -0.870 175.175 176.000 0.075 0.000 1.024 28 Q CA -0.720 55.125 55.803 0.070 0.000 0.731 28 Q CB 1.554 30.325 28.738 0.055 0.000 1.245 28 Q HN 0.839 nan 8.270 nan 0.000 0.472 29 D N 1.869 122.311 120.400 0.070 0.000 3.845 29 D HA -0.249 4.391 4.640 0.000 0.000 0.144 29 D C 0.359 176.721 176.300 0.103 0.000 0.889 29 D CA 1.803 55.847 54.000 0.073 0.000 1.096 29 D CB -0.713 40.127 40.800 0.066 0.000 0.515 29 D HN 0.813 nan 8.370 nan 0.000 0.525 30 N N 2.234 121.012 118.700 0.131 0.000 2.380 30 N HA 0.105 4.845 4.740 0.000 0.000 0.255 30 N C -0.607 175.098 175.510 0.326 0.000 1.158 30 N CA 0.202 53.371 53.050 0.198 0.000 0.878 30 N CB 0.536 39.126 38.487 0.171 0.000 1.138 30 N HN 0.439 nan 8.380 nan 0.000 0.509 31 E N 0.462 120.803 120.200 0.235 0.000 2.312 31 E HA 0.350 4.700 4.350 0.000 0.000 0.267 31 E C -1.165 175.525 176.600 0.151 0.000 0.894 31 E CA -0.745 55.759 56.400 0.173 0.000 0.773 31 E CB 2.731 32.469 29.700 0.063 0.000 1.241 31 E HN 0.146 nan 8.360 nan 0.000 0.432 32 M N 3.100 122.757 119.600 0.095 0.000 2.125 32 M HA 0.354 4.834 4.480 0.000 0.000 0.321 32 M C -1.773 174.606 176.300 0.131 0.000 0.983 32 M CA -0.731 54.662 55.300 0.154 0.000 0.934 32 M CB 1.043 33.784 32.600 0.235 0.000 1.542 32 M HN 0.238 nan 8.290 nan 0.000 0.424 33 V N 5.732 125.677 119.914 0.052 0.000 2.427 33 V HA 0.547 4.667 4.120 0.000 0.000 0.286 33 V C -0.503 175.522 176.094 -0.116 0.000 1.034 33 V CA -0.639 61.611 62.300 -0.083 0.000 0.893 33 V CB 1.671 33.386 31.823 -0.180 0.000 0.982 33 V HN 0.669 nan 8.190 nan 0.000 0.452 34 V N 5.213 125.047 119.914 -0.132 0.000 2.531 34 V HA 0.451 4.571 4.120 0.000 0.000 0.301 34 V C -1.197 174.832 176.094 -0.108 0.000 1.034 34 V CA -0.801 61.493 62.300 -0.010 0.000 0.865 34 V CB 1.675 33.655 31.823 0.262 0.000 0.995 34 V HN 0.735 nan 8.190 nan 0.000 0.424 35 Y N 2.960 123.424 120.300 0.273 0.000 2.341 35 Y HA 0.744 5.294 4.550 0.000 0.000 0.340 35 Y C 0.504 176.602 175.900 0.331 0.000 0.997 35 Y CA -0.427 57.843 58.100 0.285 0.000 1.149 35 Y CB 1.672 40.328 38.460 0.327 0.000 1.171 35 Y HN 0.727 nan 8.280 nan 0.000 0.494 36 A N 2.162 125.211 122.820 0.381 0.000 2.386 36 A HA 0.922 5.242 4.320 0.000 0.000 0.311 36 A C -0.960 176.740 177.584 0.194 0.000 1.068 36 A CA -0.667 51.532 52.037 0.269 0.000 0.743 36 A CB 0.894 19.919 19.000 0.043 0.000 1.258 36 A HN 0.796 nan 8.150 nan 0.000 0.429 37 A N 2.323 125.228 122.820 0.141 0.000 2.325 37 A HA 0.767 5.087 4.320 0.000 0.000 0.333 37 A C -2.289 175.339 177.584 0.072 0.000 1.155 37 A CA -1.816 50.271 52.037 0.084 0.000 0.814 37 A CB 0.722 19.757 19.000 0.059 0.000 1.206 37 A HN 0.460 nan 8.150 nan 0.000 0.482 38 P HA -0.018 nan 4.420 nan 0.000 0.239 38 P C 0.138 177.490 177.300 0.087 0.000 1.184 38 P CA 0.927 64.091 63.100 0.105 0.000 0.760 38 P CB -0.033 31.728 31.700 0.101 0.000 0.884 39 R N -3.001 117.548 120.500 0.082 0.000 3.034 39 R HA 0.367 4.707 4.340 0.000 0.000 0.264 39 R C -1.409 174.927 176.300 0.060 0.000 1.030 39 R CA -0.886 55.265 56.100 0.085 0.000 0.903 39 R CB -0.110 30.283 30.300 0.155 0.000 1.414 39 R HN -0.353 nan 8.270 nan 0.000 0.429 40 D N 1.592 121.989 120.400 -0.006 0.000 2.336 40 D HA 0.175 4.815 4.640 0.000 0.000 0.249 40 D C 0.360 176.641 176.300 -0.031 0.000 1.213 40 D CA -0.064 53.891 54.000 -0.074 0.000 0.870 40 D CB 1.615 42.269 40.800 -0.244 0.000 1.076 40 D HN 0.451 nan 8.370 nan 0.000 0.483 41 V N 2.068 122.028 119.914 0.077 0.000 3.006 41 V HA 0.348 4.468 4.120 0.000 0.000 0.357 41 V C 1.079 177.289 176.094 0.194 0.000 1.377 41 V CA -0.523 61.864 62.300 0.145 0.000 1.198 41 V CB -0.275 31.606 31.823 0.097 0.000 1.216 41 V HN 0.315 nan 8.190 nan 0.000 0.520 42 R N 1.659 122.222 120.500 0.106 0.000 2.535 42 R HA 0.333 4.673 4.340 0.000 0.000 0.233 42 R C -0.439 175.901 176.300 0.066 0.000 1.202 42 R CA 0.262 56.421 56.100 0.098 0.000 1.205 42 R CB -0.023 30.293 30.300 0.026 0.000 1.153 42 R HN 0.711 nan 8.270 nan 0.000 0.512 43 E N -0.067 120.195 120.200 0.102 0.000 2.287 43 E HA 0.181 4.531 4.350 0.000 0.000 0.274 43 E C -0.334 176.374 176.600 0.180 0.000 0.896 43 E CA -0.586 55.883 56.400 0.114 0.000 0.788 43 E CB 1.648 31.391 29.700 0.072 0.000 1.244 43 E HN 0.027 nan 8.360 nan 0.000 0.408 44 R N 0.837 121.425 120.500 0.145 0.000 2.387 44 R HA -0.064 4.276 4.340 0.000 0.000 0.203 44 R C 1.365 177.738 176.300 0.123 0.000 1.121 44 R CA 0.776 56.952 56.100 0.127 0.000 1.129 44 R CB -0.105 30.252 30.300 0.094 0.000 0.905 44 R HN 0.408 nan 8.270 nan 0.000 0.477 45 T N -2.196 112.474 114.554 0.193 0.000 3.018 45 T HA 0.003 4.353 4.350 0.000 0.000 0.246 45 T C 0.608 175.404 174.700 0.159 0.000 1.026 45 T CA 0.073 62.279 62.100 0.176 0.000 1.081 45 T CB 0.144 69.161 68.868 0.248 0.000 0.970 45 T HN 0.347 nan 8.240 nan 0.000 0.475 46 W N 1.860 123.161 121.300 0.002 0.000 3.220 46 W HA 0.488 5.148 4.660 0.000 0.000 0.328 46 W C 1.391 177.892 176.519 -0.029 0.000 1.205 46 W CA -0.607 56.733 57.345 -0.008 0.000 1.773 46 W CB 0.133 29.596 29.460 0.004 0.000 1.086 46 W HN 0.288 nan 8.180 nan 0.000 0.622 47 Q N 1.432 121.327 119.800 0.158 0.000 2.292 47 Q HA 0.198 4.538 4.340 0.000 0.000 0.235 47 Q C -0.398 175.582 176.000 -0.034 0.000 0.910 47 Q CA 0.330 56.152 55.803 0.031 0.000 0.952 47 Q CB -0.697 28.069 28.738 0.047 0.000 1.089 47 Q HN 0.259 nan 8.270 nan 0.000 0.431 48 L N -4.870 116.336 121.223 -0.028 0.000 2.612 48 L HA 0.484 4.824 4.340 0.000 0.000 0.256 48 L C -1.241 175.589 176.870 -0.067 0.000 0.949 48 L CA -1.189 53.615 54.840 -0.058 0.000 0.867 48 L CB 1.587 43.614 42.059 -0.054 0.000 1.417 48 L HN -0.112 nan 8.230 nan 0.000 0.414 49 D N -0.188 120.170 120.400 -0.069 0.000 2.767 49 D HA -0.131 4.509 4.640 0.000 0.000 0.239 49 D C -0.191 176.076 176.300 -0.054 0.000 1.103 49 D CA 1.505 55.465 54.000 -0.067 0.000 0.710 49 D CB -0.871 39.876 40.800 -0.089 0.000 1.084 49 D HN 0.991 nan 8.370 nan 0.000 0.435 50 T N -0.919 113.604 114.554 -0.051 0.000 2.957 50 T HA 0.453 4.804 4.350 0.000 0.000 0.336 50 T C -2.670 171.988 174.700 -0.071 0.000 1.462 50 T CA -1.028 61.048 62.100 -0.040 0.000 1.073 50 T CB 1.863 70.726 68.868 -0.009 0.000 1.319 50 T HN -0.231 nan 8.240 nan 0.000 0.485 51 P HA 0.415 nan 4.420 nan 0.000 0.270 51 P C -1.376 175.802 177.300 -0.202 0.000 1.223 51 P CA -0.759 62.236 63.100 -0.175 0.000 0.785 51 P CB 0.365 31.919 31.700 -0.242 0.000 0.923 52 L N 3.130 124.200 121.223 -0.256 0.000 2.518 52 L HA 0.410 4.750 4.340 0.000 0.000 0.262 52 L C -1.314 175.485 176.870 -0.118 0.000 0.982 52 L CA -0.479 54.279 54.840 -0.138 0.000 0.873 52 L CB 0.087 42.096 42.059 -0.082 0.000 1.198 52 L HN 0.316 nan 8.230 nan 0.000 0.427 53 F N 2.544 122.517 119.950 0.039 0.000 2.429 53 F HA 0.318 4.845 4.527 0.000 0.000 0.348 53 F C 1.043 176.894 175.800 0.085 0.000 1.109 53 F CA 0.353 58.376 58.000 0.039 0.000 1.232 53 F CB 1.353 40.338 39.000 -0.025 0.000 1.157 53 F HN 0.355 nan 8.300 nan 0.000 0.564 54 T N 5.209 119.923 114.554 0.267 0.000 2.791 54 T HA 0.526 4.876 4.350 0.000 0.000 0.288 54 T C -0.676 174.041 174.700 0.027 0.000 0.999 54 T CA -0.546 61.617 62.100 0.104 0.000 0.952 54 T CB 0.618 69.537 68.868 0.085 0.000 0.938 54 T HN 0.150 nan 8.240 nan 0.000 0.444 55 L N 3.554 124.754 121.223 -0.039 0.000 2.298 55 L HA 0.563 4.903 4.340 0.000 0.000 0.284 55 L C 0.334 177.017 176.870 -0.312 0.000 1.013 55 L CA -0.413 54.334 54.840 -0.156 0.000 0.824 55 L CB 1.258 43.303 42.059 -0.025 0.000 1.221 55 L HN 0.419 nan 8.230 nan 0.000 0.418 56 R N 2.760 123.007 120.500 -0.422 0.000 2.393 56 R HA 0.632 4.972 4.340 0.000 0.000 0.310 56 R C -1.546 174.429 176.300 -0.542 0.000 0.968 56 R CA -0.488 55.400 56.100 -0.354 0.000 0.867 56 R CB 0.870 31.010 30.300 -0.267 0.000 1.124 56 R HN 0.354 nan 8.270 nan 0.000 0.450 57 F N 6.011 125.864 119.950 -0.162 0.000 2.449 57 F HA 0.441 4.968 4.527 0.000 0.000 0.342 57 F C -0.510 174.868 175.800 -0.704 0.000 1.127 57 F CA -0.596 57.164 58.000 -0.400 0.000 0.975 57 F CB 1.228 39.912 39.000 -0.526 0.000 1.146 57 F HN 0.404 nan 8.300 nan 0.000 0.444 58 F N -0.068 119.492 119.950 -0.651 0.000 2.664 58 F HA 0.801 5.328 4.527 0.000 0.000 0.317 58 F C -0.862 174.938 175.800 0.001 0.000 1.108 58 F CA -2.057 55.696 58.000 -0.413 0.000 0.957 58 F CB 1.536 40.457 39.000 -0.132 0.000 1.365 58 F HN 0.185 nan 8.300 nan 0.000 0.475 59 S N 1.797 117.663 115.700 0.277 0.000 2.756 59 S HA 0.495 4.965 4.470 0.000 0.000 0.303 59 S C -2.066 172.601 174.600 0.112 0.000 1.135 59 S CA -1.429 56.877 58.200 0.175 0.000 1.066 59 S CB 1.321 64.713 63.200 0.320 0.000 1.008 59 S HN 0.593 nan 8.310 nan 0.000 0.482 60 P HA 0.074 nan 4.420 nan 0.000 0.224 60 P C -0.402 176.843 177.300 -0.090 0.000 1.157 60 P CA 0.722 63.816 63.100 -0.010 0.000 0.799 60 P CB 0.320 31.957 31.700 -0.105 0.000 0.809 61 Q N -0.713 118.965 119.800 -0.204 0.000 2.418 61 Q HA 0.197 4.537 4.340 0.000 0.000 0.282 61 Q C -0.415 175.504 176.000 -0.136 0.000 1.044 61 Q CA -0.768 54.936 55.803 -0.165 0.000 0.813 61 Q CB 1.807 30.400 28.738 -0.242 0.000 1.428 61 Q HN 0.009 nan 8.270 nan 0.000 0.402 62 E N 0.217 120.362 120.200 -0.092 0.000 2.502 62 E HA 0.044 4.394 4.350 0.000 0.000 0.261 62 E C 0.620 177.166 176.600 -0.090 0.000 0.974 62 E CA 1.765 58.120 56.400 -0.076 0.000 0.936 62 E CB 0.268 29.931 29.700 -0.062 0.000 0.926 62 E HN 0.825 nan 8.360 nan 0.000 0.459 63 G N 4.023 112.779 108.800 -0.073 0.000 2.179 63 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 63 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 63 G C 0.317 175.173 174.900 -0.074 0.000 0.977 63 G CA 0.379 45.441 45.100 -0.063 0.000 0.641 63 G HN 0.512 nan 8.290 nan 0.000 0.533 64 I N 0.673 121.176 120.570 -0.112 0.000 2.436 64 I HA 0.515 4.685 4.170 0.000 0.000 0.289 64 I C -0.240 175.847 176.117 -0.050 0.000 1.010 64 I CA -1.162 60.050 61.300 -0.147 0.000 1.098 64 I CB 2.269 40.019 38.000 -0.417 0.000 1.266 64 I HN -0.132 nan 8.210 nan 0.000 0.434 65 V N 5.106 125.032 119.914 0.020 0.000 2.357 65 V HA 0.528 4.648 4.120 0.000 0.000 0.284 65 V C 0.590 176.616 176.094 -0.113 0.000 1.018 65 V CA -0.456 61.888 62.300 0.075 0.000 0.841 65 V CB 1.578 33.553 31.823 0.253 0.000 0.991 65 V HN 0.889 nan 8.190 nan 0.000 0.437 66 G N 3.778 112.286 108.800 -0.488 0.000 2.377 66 G HA2 0.569 4.529 3.960 0.000 0.000 0.299 66 G HA3 0.569 4.529 3.960 0.000 0.000 0.299 66 G C -0.904 173.511 174.900 -0.807 0.000 1.150 66 G CA -0.318 44.089 45.100 -1.154 0.000 0.847 66 G HN 0.562 nan 8.290 nan 0.000 0.501 67 V N 2.552 121.997 119.914 -0.781 0.000 2.483 67 V HA 0.506 4.626 4.120 0.000 0.000 0.297 67 V C 0.082 175.911 176.094 -0.441 0.000 1.027 67 V CA -0.892 61.001 62.300 -0.678 0.000 0.855 67 V CB 1.558 32.859 31.823 -0.870 0.000 0.995 67 V HN 0.798 nan 8.190 nan 0.000 0.424 68 R N 5.288 125.628 120.500 -0.267 0.000 2.320 68 R HA 0.619 4.959 4.340 0.000 0.000 0.319 68 R C -1.257 175.003 176.300 -0.067 0.000 0.969 68 R CA -0.497 55.558 56.100 -0.076 0.000 0.857 68 R CB 0.925 31.175 30.300 -0.083 0.000 1.160 68 R HN 0.734 nan 8.270 nan 0.000 0.491 69 I N 5.309 125.919 120.570 0.066 0.000 2.312 69 I HA 0.227 4.397 4.170 0.000 0.000 0.290 69 I C 0.115 176.370 176.117 0.229 0.000 1.008 69 I CA -0.413 60.947 61.300 0.099 0.000 1.226 69 I CB 1.394 39.442 38.000 0.080 0.000 1.371 69 I HN 0.591 nan 8.210 nan 0.000 0.468 70 E N 5.444 125.789 120.200 0.243 0.000 2.288 70 E HA 0.386 4.736 4.350 0.000 0.000 0.268 70 E C -0.722 176.058 176.600 0.300 0.000 0.885 70 E CA -0.726 55.851 56.400 0.295 0.000 0.767 70 E CB 2.578 32.405 29.700 0.212 0.000 1.220 70 E HN 0.620 nan 8.360 nan 0.000 0.427 71 H N 1.833 120.939 119.070 0.061 0.000 2.560 71 H HA 0.199 4.755 4.556 0.000 0.000 0.324 71 H C -0.330 174.875 175.328 -0.206 0.000 1.329 71 H CA -0.243 55.611 56.048 -0.324 0.000 2.007 71 H CB 0.286 29.625 29.762 -0.704 0.000 1.551 71 H HN 0.372 nan 8.280 nan 0.000 0.623 72 F N 1.725 121.524 119.950 -0.252 0.000 2.396 72 F HA 0.174 4.701 4.527 0.000 0.000 0.343 72 F C 1.296 177.063 175.800 -0.055 0.000 1.104 72 F CA -0.228 57.626 58.000 -0.244 0.000 1.161 72 F CB 1.426 40.278 39.000 -0.245 0.000 1.146 72 F HN 0.410 nan 8.300 nan 0.000 0.522 73 Q N 1.626 121.512 119.800 0.143 0.000 2.384 73 Q HA 0.123 4.463 4.340 0.000 0.000 0.207 73 Q C 1.894 177.920 176.000 0.043 0.000 0.904 73 Q CA 0.458 56.303 55.803 0.070 0.000 0.933 73 Q CB 0.350 29.105 28.738 0.028 0.000 1.077 73 Q HN 0.993 nan 8.270 nan 0.000 0.522 74 G N 0.886 109.701 108.800 0.026 0.000 2.848 74 G HA2 0.209 4.169 3.960 0.000 0.000 0.208 74 G HA3 0.209 4.169 3.960 0.000 0.000 0.208 74 G C 0.511 175.425 174.900 0.022 0.000 1.152 74 G CA 0.299 45.391 45.100 -0.014 0.000 0.789 74 G HN 0.325 nan 8.290 nan 0.000 0.531 75 A N -0.306 122.564 122.820 0.084 0.000 2.386 75 A HA 0.519 4.839 4.320 0.000 0.000 0.246 75 A C 1.522 179.160 177.584 0.090 0.000 1.089 75 A CA -0.381 51.721 52.037 0.109 0.000 0.790 75 A CB 0.445 19.553 19.000 0.180 0.000 1.042 75 A HN 0.178 nan 8.150 nan 0.000 0.497 76 L N 0.468 121.746 121.223 0.092 0.000 2.005 76 L HA -0.128 4.212 4.340 0.000 0.000 0.207 76 L C 0.528 177.463 176.870 0.108 0.000 1.072 76 L CA 1.410 56.299 54.840 0.083 0.000 0.744 76 L CB -0.808 41.296 42.059 0.075 0.000 0.895 76 L HN 0.912 nan 8.230 nan 0.000 0.433 77 N N 1.231 120.023 118.700 0.154 0.000 2.608 77 N HA -0.153 4.587 4.740 0.000 0.000 0.273 77 N C -0.765 174.859 175.510 0.189 0.000 1.133 77 N CA -0.241 52.938 53.050 0.214 0.000 0.726 77 N CB -0.923 37.686 38.487 0.203 0.000 0.890 77 N HN 0.390 nan 8.380 nan 0.000 0.548 78 N N 0.238 119.019 118.700 0.135 0.000 2.447 78 N HA 0.386 5.126 4.740 0.000 0.000 0.271 78 N C 1.067 176.533 175.510 -0.074 0.000 1.226 78 N CA -0.050 53.038 53.050 0.063 0.000 0.980 78 N CB 0.584 39.099 38.487 0.046 0.000 1.206 78 N HN 0.352 nan 8.380 nan 0.000 0.558 79 G N 0.089 108.771 108.800 -0.196 0.000 2.611 79 G HA2 0.289 4.249 3.960 0.000 0.000 0.273 79 G HA3 0.289 4.249 3.960 0.000 0.000 0.273 79 G C -2.384 172.308 174.900 -0.346 0.000 1.305 79 G CA -0.560 44.230 45.100 -0.517 0.000 1.010 79 G HN 0.341 nan 8.290 nan 0.000 0.509 80 P HA 0.308 nan 4.420 nan 0.000 0.282 80 P C -1.048 175.802 177.300 -0.750 0.000 1.259 80 P CA -0.344 62.428 63.100 -0.546 0.000 0.826 80 P CB 1.627 33.057 31.700 -0.449 0.000 1.064 81 H N -0.232 118.641 119.070 -0.329 0.000 2.710 81 H HA 0.314 4.870 4.556 0.000 0.000 0.361 81 H C 0.025 175.163 175.328 -0.317 0.000 1.175 81 H CA -0.316 55.554 56.048 -0.296 0.000 1.206 81 H CB 0.270 29.964 29.762 -0.113 0.000 1.750 81 H HN 0.345 nan 8.280 nan 0.000 0.553 82 Y N 1.755 122.009 120.300 -0.077 0.000 2.578 82 Y HA 0.031 4.581 4.550 0.000 0.000 0.339 82 Y C -1.371 174.415 175.900 -0.190 0.000 1.231 82 Y CA -1.849 56.155 58.100 -0.160 0.000 1.461 82 Y CB -0.035 38.341 38.460 -0.141 0.000 1.323 82 Y HN 0.336 nan 8.280 nan 0.000 0.590 83 P HA 0.079 nan 4.420 nan 0.000 0.226 83 P C -0.882 176.265 177.300 -0.255 0.000 1.783 83 P CA -0.029 62.973 63.100 -0.164 0.000 0.980 83 P CB -0.260 31.287 31.700 -0.256 0.000 1.967 84 L N 2.072 123.133 121.223 -0.270 0.000 2.417 84 L HA 0.208 4.548 4.340 0.000 0.000 0.268 84 L C 1.000 177.715 176.870 -0.258 0.000 1.158 84 L CA 0.394 54.947 54.840 -0.478 0.000 0.819 84 L CB -0.159 41.568 42.059 -0.554 0.000 1.112 84 L HN 0.111 nan 8.230 nan 0.000 0.458 85 N N 4.188 122.745 118.700 -0.239 0.000 2.462 85 N HA 0.380 5.120 4.740 0.000 0.000 0.242 85 N C -0.730 174.841 175.510 0.102 0.000 1.010 85 N CA -0.058 52.966 53.050 -0.043 0.000 0.939 85 N CB 1.120 39.582 38.487 -0.042 0.000 1.127 85 N HN 0.418 nan 8.380 nan 0.000 0.509 86 I N 3.350 123.975 120.570 0.093 0.000 2.389 86 I HA 0.333 4.503 4.170 0.000 0.000 0.288 86 I C 0.009 176.186 176.117 0.100 0.000 0.999 86 I CA -0.643 60.744 61.300 0.146 0.000 1.129 86 I CB 1.494 39.603 38.000 0.181 0.000 1.288 86 I HN 0.132 nan 8.210 nan 0.000 0.444 87 L N 5.591 126.869 121.223 0.091 0.000 2.375 87 L HA 0.395 4.735 4.340 0.000 0.000 0.268 87 L C 0.740 177.664 176.870 0.091 0.000 1.058 87 L CA -0.616 54.265 54.840 0.069 0.000 0.803 87 L CB 1.143 43.227 42.059 0.042 0.000 1.212 87 L HN 0.567 nan 8.230 nan 0.000 0.451 88 Q N 0.583 120.428 119.800 0.075 0.000 2.246 88 Q HA 0.033 4.373 4.340 0.000 0.000 0.222 88 Q C 0.183 176.227 176.000 0.073 0.000 0.851 88 Q CA 0.221 56.074 55.803 0.083 0.000 0.945 88 Q CB 0.698 29.475 28.738 0.065 0.000 1.122 88 Q HN 0.745 nan 8.270 nan 0.000 0.508 89 D N -0.493 119.941 120.400 0.057 0.000 2.402 89 D HA 0.042 4.682 4.640 0.000 0.000 0.216 89 D C 0.202 176.525 176.300 0.038 0.000 1.128 89 D CA -0.277 53.750 54.000 0.044 0.000 0.833 89 D CB 0.457 41.275 40.800 0.030 0.000 0.971 89 D HN -0.209 nan 8.370 nan 0.000 0.503 90 V N 1.616 121.560 119.914 0.051 0.000 2.493 90 V HA -0.064 4.056 4.120 0.000 0.000 0.292 90 V C 0.907 177.015 176.094 0.023 0.000 1.016 90 V CA -0.108 62.212 62.300 0.033 0.000 1.097 90 V CB 0.509 32.359 31.823 0.046 0.000 0.947 90 V HN 0.148 nan 8.190 nan 0.000 0.479 91 K N 5.040 125.435 120.400 -0.008 0.000 2.379 91 K HA 0.418 4.738 4.320 0.000 0.000 0.284 91 K C -0.417 176.140 176.600 -0.071 0.000 1.044 91 K CA -0.232 56.039 56.287 -0.027 0.000 0.974 91 K CB 0.833 33.312 32.500 -0.034 0.000 0.962 91 K HN 0.656 nan 8.250 nan 0.000 0.474 92 V N 0.106 119.961 119.914 -0.098 0.000 3.156 92 V HA 0.632 4.753 4.120 0.000 0.000 0.310 92 V C -0.825 175.135 176.094 -0.223 0.000 1.234 92 V CA -0.828 61.326 62.300 -0.243 0.000 1.065 92 V CB 2.047 33.642 31.823 -0.381 0.000 1.088 92 V HN 0.697 nan 8.190 nan 0.000 0.451 93 T N 1.972 116.324 114.554 -0.336 0.000 2.881 93 T HA 0.738 5.088 4.350 0.000 0.000 0.290 93 T C -0.768 173.805 174.700 -0.212 0.000 1.000 93 T CA -0.058 61.916 62.100 -0.210 0.000 0.978 93 T CB 1.074 69.841 68.868 -0.167 0.000 0.997 93 T HN 0.683 nan 8.240 nan 0.000 0.443 94 I N 3.586 124.112 120.570 -0.075 0.000 2.466 94 I HA 0.404 4.574 4.170 0.000 0.000 0.289 94 I C -0.384 175.735 176.117 0.003 0.000 1.026 94 I CA -0.720 60.585 61.300 0.009 0.000 1.078 94 I CB 1.813 39.880 38.000 0.113 0.000 1.249 94 I HN 0.674 nan 8.210 nan 0.000 0.429 95 E N 4.601 124.800 120.200 -0.000 0.000 2.343 95 E HA 0.301 4.651 4.350 0.000 0.000 0.260 95 E C -1.328 175.278 176.600 0.009 0.000 0.908 95 E CA -0.864 55.536 56.400 -0.000 0.000 0.814 95 E CB 1.703 31.395 29.700 -0.014 0.000 1.302 95 E HN 0.402 nan 8.360 nan 0.000 0.408 96 N N 2.933 121.643 118.700 0.016 0.000 2.462 96 N HA 0.120 4.860 4.740 0.000 0.000 0.242 96 N C -0.790 174.724 175.510 0.006 0.000 1.010 96 N CA 0.001 53.062 53.050 0.018 0.000 0.939 96 N CB 1.184 39.688 38.487 0.027 0.000 1.127 96 N HN 0.645 nan 8.380 nan 0.000 0.509 97 T N 0.087 114.643 114.554 0.003 0.000 2.937 97 T HA 0.292 4.642 4.350 0.000 0.000 0.283 97 T C 0.986 175.660 174.700 -0.042 0.000 1.012 97 T CA -0.506 61.581 62.100 -0.022 0.000 0.997 97 T CB 1.337 70.185 68.868 -0.032 0.000 1.136 97 T HN 0.345 nan 8.240 nan 0.000 0.551 98 E N -0.217 119.944 120.200 -0.065 0.000 2.268 98 E HA -0.038 4.312 4.350 0.000 0.000 0.195 98 E C 2.108 178.638 176.600 -0.117 0.000 0.995 98 E CA 1.088 57.444 56.400 -0.073 0.000 0.836 98 E CB -0.062 29.597 29.700 -0.068 0.000 0.763 98 E HN 0.679 nan 8.360 nan 0.000 0.491 99 R N -1.702 118.676 120.500 -0.204 0.000 2.146 99 R HA 0.122 4.462 4.340 0.000 0.000 0.206 99 R C -0.106 175.921 176.300 -0.456 0.000 1.049 99 R CA 0.486 56.338 56.100 -0.413 0.000 1.029 99 R CB 0.289 30.195 30.300 -0.658 0.000 0.949 99 R HN 0.149 nan 8.270 nan 0.000 0.471 100 Y N -1.583 118.681 120.300 -0.061 0.000 2.677 100 Y HA 0.657 5.207 4.550 0.000 0.000 0.334 100 Y C -0.922 174.923 175.900 -0.092 0.000 1.154 100 Y CA -1.617 56.426 58.100 -0.095 0.000 1.070 100 Y CB 2.116 40.506 38.460 -0.117 0.000 1.294 100 Y HN -0.053 nan 8.280 nan 0.000 0.475 101 A N 1.298 124.158 122.820 0.067 0.000 2.359 101 A HA 0.654 4.974 4.320 0.000 0.000 0.303 101 A C -1.463 176.050 177.584 -0.119 0.000 1.066 101 A CA -0.527 51.497 52.037 -0.022 0.000 0.730 101 A CB 1.657 20.637 19.000 -0.035 0.000 1.211 101 A HN 0.717 nan 8.150 nan 0.000 0.439 102 E N 1.903 122.047 120.200 -0.092 0.000 2.275 102 E HA 0.581 4.931 4.350 0.000 0.000 0.270 102 E C -2.092 174.475 176.600 -0.056 0.000 0.882 102 E CA -0.484 55.831 56.400 -0.142 0.000 0.758 102 E CB 1.546 31.169 29.700 -0.129 0.000 1.195 102 E HN 0.561 nan 8.360 nan 0.000 0.419 103 F N 3.983 123.787 119.950 -0.244 0.000 2.482 103 F HA 0.537 5.064 4.527 0.000 0.000 0.331 103 F C -1.049 174.694 175.800 -0.095 0.000 1.115 103 F CA -0.536 57.384 58.000 -0.133 0.000 0.955 103 F CB 1.245 40.181 39.000 -0.107 0.000 1.136 103 F HN 0.331 nan 8.300 nan 0.000 0.452 104 K N 4.024 124.018 120.400 -0.676 0.000 2.443 104 K HA 0.541 4.861 4.320 0.000 0.000 0.252 104 K C -1.680 174.612 176.600 -0.513 0.000 0.933 104 K CA -0.645 55.382 56.287 -0.434 0.000 0.792 104 K CB 1.871 34.223 32.500 -0.246 0.000 1.185 104 K HN 0.586 nan 8.250 nan 0.000 0.425 105 S N 2.983 118.518 115.700 -0.275 0.000 2.756 105 S HA 0.622 5.092 4.470 0.000 0.000 0.303 105 S C 0.215 174.753 174.600 -0.105 0.000 1.135 105 S CA 0.559 58.648 58.200 -0.185 0.000 1.066 105 S CB 0.661 63.813 63.200 -0.079 0.000 1.008 105 S HN 1.078 nan 8.310 nan 0.000 0.482 106 G N 5.418 114.158 108.800 -0.100 0.000 2.543 106 G HA2 -0.318 3.642 3.960 0.000 0.000 0.286 106 G HA3 -0.318 3.642 3.960 0.000 0.000 0.286 106 G C 0.472 175.332 174.900 -0.066 0.000 1.153 106 G CA 0.585 45.643 45.100 -0.071 0.000 0.968 106 G HN 0.719 nan 8.290 nan 0.000 0.544 107 N N -0.114 118.557 118.700 -0.048 0.000 2.254 107 N HA 0.360 5.100 4.740 0.000 0.000 0.190 107 N C 0.329 175.820 175.510 -0.032 0.000 1.107 107 N CA -0.201 52.825 53.050 -0.039 0.000 0.869 107 N CB 0.664 39.135 38.487 -0.027 0.000 0.983 107 N HN 0.399 nan 8.380 nan 0.000 0.487 108 L N 1.376 122.584 121.223 -0.025 0.000 2.307 108 L HA 0.433 4.773 4.340 0.000 0.000 0.282 108 L C -0.124 176.749 176.870 0.004 0.000 1.051 108 L CA -0.307 54.535 54.840 0.004 0.000 0.804 108 L CB 1.146 43.219 42.059 0.023 0.000 1.197 108 L HN -0.042 nan 8.230 nan 0.000 0.431 109 S N 3.652 119.366 115.700 0.023 0.000 2.595 109 S HA 0.960 5.430 4.470 0.000 0.000 0.281 109 S C -0.915 173.703 174.600 0.030 0.000 1.117 109 S CA -0.380 57.821 58.200 0.001 0.000 0.873 109 S CB 1.665 64.814 63.200 -0.084 0.000 1.108 109 S HN 1.052 nan 8.310 nan 0.000 0.477 110 A N 1.585 124.381 122.820 -0.040 0.000 2.318 110 A HA 0.813 5.133 4.320 0.000 0.000 0.317 110 A C -0.288 177.007 177.584 -0.482 0.000 1.159 110 A CA -0.779 51.081 52.037 -0.295 0.000 0.799 110 A CB 0.935 19.796 19.000 -0.232 0.000 1.194 110 A HN 0.854 nan 8.150 nan 0.000 0.479 111 R N 2.592 122.757 120.500 -0.559 0.000 2.480 111 R HA 0.603 4.943 4.340 0.000 0.000 0.306 111 R C -1.830 174.118 176.300 -0.587 0.000 0.958 111 R CA -0.345 55.438 56.100 -0.529 0.000 0.861 111 R CB 1.696 31.688 30.300 -0.513 0.000 1.171 111 R HN 0.481 nan 8.270 nan 0.000 0.445 112 V N 3.350 122.962 119.914 -0.503 0.000 2.370 112 V HA 0.264 4.384 4.120 0.000 0.000 0.283 112 V C -0.064 175.855 176.094 -0.291 0.000 1.023 112 V CA -0.617 61.378 62.300 -0.508 0.000 0.857 112 V CB 1.746 33.304 31.823 -0.442 0.000 0.985 112 V HN 0.797 nan 8.190 nan 0.000 0.443 113 S N 5.132 120.647 115.700 -0.308 0.000 2.528 113 S HA 0.316 4.786 4.470 0.000 0.000 0.277 113 S C 0.133 174.759 174.600 0.043 0.000 1.297 113 S CA -0.474 57.778 58.200 0.087 0.000 1.052 113 S CB 0.417 63.665 63.200 0.080 0.000 0.917 113 S HN 0.618 nan 8.310 nan 0.000 0.492 114 K N 1.563 122.030 120.400 0.113 0.000 2.098 114 K HA 0.628 4.948 4.320 0.000 0.000 0.244 114 K C 0.833 177.487 176.600 0.091 0.000 1.014 114 K CA -0.173 56.167 56.287 0.089 0.000 0.917 114 K CB 0.656 33.179 32.500 0.039 0.000 1.072 114 K HN 0.867 nan 8.250 nan 0.000 0.477 115 G N 1.174 110.027 108.800 0.089 0.000 2.828 115 G HA2 -0.302 3.658 3.960 0.000 0.000 0.463 115 G HA3 -0.302 3.658 3.960 0.000 0.000 0.463 115 G C 0.651 175.565 174.900 0.024 0.000 1.394 115 G CA 0.409 45.533 45.100 0.039 0.000 0.862 115 G HN 0.774 nan 8.290 nan 0.000 0.540 116 E N -0.594 119.532 120.200 -0.123 0.000 2.196 116 E HA -0.236 4.114 4.350 0.000 0.000 0.222 116 E C 1.201 177.659 176.600 -0.238 0.000 1.072 116 E CA 2.555 58.782 56.400 -0.289 0.000 0.902 116 E CB -0.394 28.933 29.700 -0.621 0.000 0.780 116 E HN 0.594 nan 8.360 nan 0.000 0.467 117 F N 1.451 121.460 119.950 0.098 0.000 2.566 117 F HA 0.142 4.669 4.527 0.000 0.000 0.349 117 F C 0.397 176.280 175.800 0.138 0.000 1.245 117 F CA -0.604 57.461 58.000 0.107 0.000 1.169 117 F CB -0.448 38.589 39.000 0.062 0.000 1.470 117 F HN 0.112 nan 8.300 nan 0.000 0.634 118 W N 3.725 125.116 121.300 0.152 0.000 2.210 118 W HA 0.391 5.051 4.660 0.000 0.000 0.330 118 W C -0.572 175.999 176.519 0.086 0.000 1.334 118 W CA -0.014 57.392 57.345 0.103 0.000 1.227 118 W CB 1.357 30.857 29.460 0.067 0.000 1.178 118 W HN 0.388 nan 8.180 nan 0.000 0.560 119 S N 7.214 122.407 115.700 -0.844 0.000 2.584 119 S HA 0.385 4.855 4.470 0.000 0.000 0.280 119 S C -1.920 172.217 174.600 -0.772 0.000 1.162 119 S CA -0.828 57.017 58.200 -0.593 0.000 0.951 119 S CB 0.729 63.774 63.200 -0.259 0.000 1.108 119 S HN 0.560 nan 8.310 nan 0.000 0.464 120 L N 4.330 125.229 121.223 -0.539 0.000 2.298 120 L HA 0.635 4.975 4.340 0.000 0.000 0.284 120 L C -1.351 175.239 176.870 -0.467 0.000 1.013 120 L CA -0.363 54.182 54.840 -0.491 0.000 0.824 120 L CB 1.016 42.942 42.059 -0.222 0.000 1.221 120 L HN 0.703 nan 8.230 nan 0.000 0.418 121 D N 4.575 124.620 120.400 -0.592 0.000 2.498 121 D HA 0.378 5.018 4.640 0.000 0.000 0.247 121 D C -1.087 174.826 176.300 -0.646 0.000 1.070 121 D CA -0.033 53.667 54.000 -0.499 0.000 0.842 121 D CB 2.196 42.771 40.800 -0.375 0.000 1.361 121 D HN 0.141 nan 8.370 nan 0.000 0.484 122 F N 1.842 121.716 119.950 -0.126 0.000 2.411 122 F HA 0.367 4.894 4.527 0.000 0.000 0.352 122 F C -0.092 175.627 175.800 -0.135 0.000 1.123 122 F CA -0.758 57.170 58.000 -0.120 0.000 1.044 122 F CB 1.024 39.953 39.000 -0.118 0.000 1.135 122 F HN -0.043 nan 8.300 nan 0.000 0.461 123 L N 3.342 124.572 121.223 0.012 0.000 2.354 123 L HA 0.578 4.918 4.340 0.000 0.000 0.269 123 L C -0.270 176.596 176.870 -0.007 0.000 1.005 123 L CA -0.919 53.905 54.840 -0.027 0.000 0.819 123 L CB 1.837 43.847 42.059 -0.082 0.000 1.311 123 L HN 0.585 nan 8.230 nan 0.000 0.423 124 R N 1.925 122.421 120.500 -0.007 0.000 2.310 124 R HA 0.293 4.633 4.340 0.000 0.000 0.324 124 R C -0.253 176.039 176.300 -0.013 0.000 0.955 124 R CA -0.258 55.841 56.100 -0.001 0.000 0.830 124 R CB 0.352 30.663 30.300 0.018 0.000 1.154 124 R HN 0.798 nan 8.270 nan 0.000 0.458 125 N N 2.701 121.387 118.700 -0.023 0.000 2.721 125 N HA -0.255 4.485 4.740 0.000 0.000 0.249 125 N C 0.553 176.045 175.510 -0.031 0.000 1.072 125 N CA 0.873 53.907 53.050 -0.027 0.000 0.710 125 N CB -0.626 37.849 38.487 -0.019 0.000 0.993 125 N HN 1.073 nan 8.380 nan 0.000 0.547 126 G N -1.311 107.463 108.800 -0.043 0.000 2.179 126 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 126 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 126 G C -0.295 174.576 174.900 -0.049 0.000 0.977 126 G CA 0.520 45.589 45.100 -0.051 0.000 0.641 126 G HN 0.517 nan 8.290 nan 0.000 0.533 127 E N 0.103 120.282 120.200 -0.035 0.000 2.166 127 E HA 0.355 4.705 4.350 0.000 0.000 0.275 127 E C 0.198 176.783 176.600 -0.026 0.000 0.941 127 E CA -0.913 55.471 56.400 -0.027 0.000 0.784 127 E CB 1.590 31.285 29.700 -0.009 0.000 1.115 127 E HN 0.326 nan 8.360 nan 0.000 0.399 128 R N 4.133 124.612 120.500 -0.034 0.000 2.291 128 R HA 0.075 4.415 4.340 0.000 0.000 0.333 128 R C 1.249 177.549 176.300 -0.001 0.000 1.082 128 R CA 0.054 56.134 56.100 -0.034 0.000 0.948 128 R CB -0.108 30.159 30.300 -0.055 0.000 1.009 128 R HN 0.647 nan 8.270 nan 0.000 0.460 129 I N -0.038 120.532 120.570 -0.002 0.000 3.030 129 I HA 0.215 4.385 4.170 0.000 0.000 0.270 129 I C 0.489 176.590 176.117 -0.027 0.000 1.211 129 I CA -0.002 61.309 61.300 0.018 0.000 1.479 129 I CB 0.412 38.410 38.000 -0.003 0.000 1.105 129 I HN 0.533 nan 8.210 nan 0.000 0.447 130 T N -1.064 113.462 114.554 -0.046 0.000 2.632 130 T HA 0.582 4.932 4.350 0.000 0.000 0.290 130 T C -0.955 173.831 174.700 0.143 0.000 1.899 130 T CA 0.043 62.150 62.100 0.011 0.000 0.946 130 T CB 0.938 69.724 68.868 -0.136 0.000 2.024 130 T HN 0.706 nan 8.240 nan 0.000 0.471 131 G N 0.498 109.420 108.800 0.202 0.000 2.324 131 G HA2 0.473 4.433 3.960 0.000 0.000 0.293 131 G HA3 0.473 4.433 3.960 0.000 0.000 0.293 131 G C -1.421 173.565 174.900 0.144 0.000 1.297 131 G CA 0.391 45.625 45.100 0.223 0.000 0.853 131 G HN 1.069 nan 8.290 nan 0.000 0.535 132 S N -0.583 115.167 115.700 0.084 0.000 2.478 132 S HA 0.609 5.079 4.470 0.000 0.000 0.312 132 S C 0.022 174.648 174.600 0.044 0.000 1.094 132 S CA -0.346 57.895 58.200 0.068 0.000 1.081 132 S CB 1.156 64.424 63.200 0.113 0.000 1.007 132 S HN 0.576 nan 8.310 nan 0.000 0.475 133 Q N 1.667 121.490 119.800 0.038 0.000 2.318 133 Q HA 0.362 4.702 4.340 0.000 0.000 0.222 133 Q C -0.123 175.955 176.000 0.131 0.000 1.003 133 Q CA -0.561 55.277 55.803 0.057 0.000 0.936 133 Q CB 1.078 29.830 28.738 0.024 0.000 1.204 133 Q HN 0.599 nan 8.270 nan 0.000 0.524 134 V N 2.305 122.338 119.914 0.200 0.000 2.599 134 V HA -0.076 4.044 4.120 0.000 0.000 0.300 134 V C -0.083 175.994 176.094 -0.028 0.000 1.034 134 V CA 0.925 63.366 62.300 0.235 0.000 1.115 134 V CB -0.423 31.557 31.823 0.262 0.000 0.934 134 V HN 0.810 nan 8.190 nan 0.000 0.485 135 K N 3.818 124.085 120.400 -0.222 0.000 3.379 135 K HA -0.142 4.178 4.320 0.000 0.000 0.300 135 K C 0.479 176.818 176.600 -0.435 0.000 1.302 135 K CA 0.958 56.849 56.287 -0.661 0.000 0.877 135 K CB -1.403 30.783 32.500 -0.524 0.000 1.343 135 K HN 0.833 nan 8.250 nan 0.000 0.488 136 N N 0.750 119.314 118.700 -0.226 0.000 2.184 136 N HA 0.016 4.756 4.740 0.000 0.000 0.206 136 N C -0.318 174.933 175.510 -0.432 0.000 1.151 136 N CA 0.266 53.239 53.050 -0.128 0.000 0.878 136 N CB 0.424 38.870 38.487 -0.069 0.000 1.014 136 N HN 0.466 nan 8.380 nan 0.000 0.512 137 N N -0.494 117.822 118.700 -0.640 0.000 2.697 137 N HA 0.715 5.455 4.740 0.000 0.000 0.272 137 N C 0.268 175.200 175.510 -0.964 0.000 1.381 137 N CA -0.454 51.949 53.050 -1.079 0.000 0.797 137 N CB 1.604 39.791 38.487 -0.500 0.000 1.523 137 N HN -0.003 nan 8.380 nan 0.000 0.518 138 G N -1.618 106.646 108.800 -0.892 0.000 2.278 138 G HA2 0.135 4.095 3.960 0.000 0.000 0.265 138 G HA3 0.135 4.095 3.960 0.000 0.000 0.265 138 G C -2.345 172.623 174.900 0.113 0.000 1.329 138 G CA -0.833 44.004 45.100 -0.438 0.000 1.017 138 G HN 0.712 nan 8.290 nan 0.000 0.472 139 Y N 0.194 120.587 120.300 0.155 0.000 2.352 139 Y HA 0.669 5.219 4.550 0.000 0.000 0.339 139 Y C -0.147 175.792 175.900 0.065 0.000 0.992 139 Y CA -0.846 57.316 58.100 0.103 0.000 1.100 139 Y CB 2.082 40.452 38.460 -0.150 0.000 1.192 139 Y HN 0.490 nan 8.280 nan 0.000 0.458 140 V N 6.597 126.342 119.914 -0.281 0.000 2.409 140 V HA 0.321 4.441 4.120 0.000 0.000 0.291 140 V C -0.677 175.116 176.094 -0.502 0.000 1.020 140 V CA -0.824 61.305 62.300 -0.285 0.000 0.848 140 V CB 1.505 33.224 31.823 -0.174 0.000 0.990 140 V HN 0.742 nan 8.190 nan 0.000 0.430 141 Q N 3.294 122.890 119.800 -0.340 0.000 2.400 141 Q HA 0.251 4.592 4.340 0.000 0.000 0.255 141 Q C -0.892 175.037 176.000 -0.119 0.000 1.008 141 Q CA -0.536 55.107 55.803 -0.267 0.000 0.841 141 Q CB 1.072 29.747 28.738 -0.106 0.000 1.220 141 Q HN 0.769 nan 8.270 nan 0.000 0.474 142 D N 2.809 123.159 120.400 -0.082 0.000 2.339 142 D HA 0.078 4.718 4.640 0.000 0.000 0.241 142 D C 0.224 176.509 176.300 -0.025 0.000 1.183 142 D CA 0.137 54.129 54.000 -0.014 0.000 0.859 142 D CB 1.628 42.481 40.800 0.088 0.000 1.067 142 D HN 0.525 nan 8.370 nan 0.000 0.484 143 T N 2.991 117.533 114.554 -0.021 0.000 3.043 143 T HA -0.035 4.315 4.350 0.000 0.000 0.263 143 T C 1.454 176.148 174.700 -0.010 0.000 1.094 143 T CA 0.415 62.507 62.100 -0.013 0.000 1.127 143 T CB 0.136 68.997 68.868 -0.011 0.000 0.905 143 T HN 0.445 nan 8.240 nan 0.000 0.490 144 N N 2.528 121.223 118.700 -0.009 0.000 2.457 144 N HA -0.036 4.704 4.740 0.000 0.000 0.180 144 N C 0.938 176.445 175.510 -0.005 0.000 1.050 144 N CA 0.871 53.916 53.050 -0.007 0.000 0.906 144 N CB -0.013 38.467 38.487 -0.010 0.000 0.968 144 N HN 0.609 nan 8.380 nan 0.000 0.445 145 N N -0.737 117.961 118.700 -0.004 0.000 2.142 145 N HA -0.001 4.739 4.740 0.000 0.000 0.233 145 N C -0.510 174.988 175.510 -0.020 0.000 1.335 145 N CA -0.053 52.993 53.050 -0.006 0.000 0.837 145 N CB 0.237 38.725 38.487 0.003 0.000 1.238 145 N HN -0.297 nan 8.380 nan 0.000 0.501 146 Q N -0.567 119.218 119.800 -0.025 0.000 2.480 146 Q HA -0.229 4.111 4.340 0.000 0.000 0.265 146 Q C -0.828 175.124 176.000 -0.079 0.000 1.072 146 Q CA 0.974 56.755 55.803 -0.035 0.000 1.018 146 Q CB -2.167 26.560 28.738 -0.019 0.000 1.433 146 Q HN 0.673 nan 8.270 nan 0.000 0.513 147 R N 0.769 121.191 120.500 -0.129 0.000 2.532 147 R HA 0.515 4.855 4.340 0.000 0.000 0.295 147 R C 0.093 176.110 176.300 -0.473 0.000 0.968 147 R CA -0.696 55.222 56.100 -0.303 0.000 0.916 147 R CB 0.970 31.061 30.300 -0.349 0.000 1.124 147 R HN 0.043 nan 8.270 nan 0.000 0.463 148 N N 2.098 120.446 118.700 -0.588 0.000 2.321 148 N HA 0.335 5.075 4.740 0.000 0.000 0.299 148 N C -1.319 173.729 175.510 -0.770 0.000 1.048 148 N CA -0.389 52.288 53.050 -0.622 0.000 0.836 148 N CB 1.748 40.028 38.487 -0.346 0.000 1.269 148 N HN 0.392 nan 8.380 nan 0.000 0.486 149 Y N 0.216 120.297 120.300 -0.365 0.000 2.536 149 Y HA 0.495 5.045 4.550 0.000 0.000 0.347 149 Y C 0.167 176.007 175.900 -0.099 0.000 1.000 149 Y CA -1.037 56.946 58.100 -0.194 0.000 1.051 149 Y CB 1.645 40.002 38.460 -0.171 0.000 1.259 149 Y HN 0.162 nan 8.280 nan 0.000 0.468 150 M N 3.679 123.390 119.600 0.185 0.000 2.336 150 M HA 0.419 4.899 4.480 0.000 0.000 0.342 150 M C -1.071 175.360 176.300 0.219 0.000 1.128 150 M CA -0.823 54.604 55.300 0.212 0.000 1.016 150 M CB 0.930 33.617 32.600 0.145 0.000 1.665 150 M HN 0.708 nan 8.290 nan 0.000 0.445 151 F N 0.830 120.755 119.950 -0.043 0.000 2.613 151 F HA 0.893 5.420 4.527 0.000 0.000 0.314 151 F C -1.133 174.524 175.800 -0.239 0.000 1.075 151 F CA -1.039 56.870 58.000 -0.152 0.000 0.945 151 F CB 1.613 40.513 39.000 -0.168 0.000 1.310 151 F HN 0.545 nan 8.300 nan 0.000 0.467 152 E N 1.053 120.884 120.200 -0.614 0.000 2.366 152 E HA 0.549 4.899 4.350 0.000 0.000 0.278 152 E C -1.848 174.277 176.600 -0.792 0.000 0.923 152 E CA -0.697 55.196 56.400 -0.846 0.000 0.761 152 E CB 1.996 31.095 29.700 -1.002 0.000 1.231 152 E HN 0.752 nan 8.360 nan 0.000 0.443 153 R N 3.491 123.715 120.500 -0.461 0.000 2.473 153 R HA 0.464 4.804 4.340 0.000 0.000 0.303 153 R C -0.752 175.475 176.300 -0.122 0.000 1.002 153 R CA -0.605 55.352 56.100 -0.239 0.000 0.884 153 R CB 1.030 31.281 30.300 -0.082 0.000 1.173 153 R HN 0.429 nan 8.270 nan 0.000 0.464 154 L N 3.174 124.381 121.223 -0.026 0.000 2.275 154 L HA 0.305 4.645 4.340 0.000 0.000 0.288 154 L C 0.137 177.081 176.870 0.123 0.000 1.046 154 L CA -0.809 54.101 54.840 0.116 0.000 0.805 154 L CB 1.219 43.435 42.059 0.262 0.000 1.193 154 L HN 0.425 nan 8.230 nan 0.000 0.426 155 D N 3.779 124.243 120.400 0.107 0.000 2.378 155 D HA 0.280 4.920 4.640 0.000 0.000 0.238 155 D C -0.262 176.114 176.300 0.126 0.000 1.180 155 D CA 0.350 54.402 54.000 0.085 0.000 0.895 155 D CB 1.448 42.284 40.800 0.060 0.000 1.192 155 D HN 0.256 nan 8.370 nan 0.000 0.438 156 L N 1.189 122.462 121.223 0.084 0.000 2.376 156 L HA 0.386 4.726 4.340 0.000 0.000 0.275 156 L C 0.960 177.864 176.870 0.057 0.000 0.987 156 L CA -0.800 54.091 54.840 0.086 0.000 0.828 156 L CB 1.962 44.041 42.059 0.034 0.000 1.249 156 L HN 0.324 nan 8.230 nan 0.000 0.409 157 G N 2.063 110.905 108.800 0.071 0.000 2.653 157 G HA2 0.368 4.328 3.960 0.000 0.000 0.265 157 G HA3 0.368 4.328 3.960 0.000 0.000 0.265 157 G C 0.060 174.977 174.900 0.028 0.000 1.237 157 G CA -0.522 44.606 45.100 0.046 0.000 0.946 157 G HN 0.290 nan 8.290 nan 0.000 0.522 158 V N 0.755 120.682 119.914 0.020 0.000 2.694 158 V HA 0.329 4.449 4.120 0.000 0.000 0.306 158 V C 1.779 177.884 176.094 0.018 0.000 1.054 158 V CA 1.591 63.900 62.300 0.015 0.000 1.161 158 V CB 0.406 32.236 31.823 0.012 0.000 0.916 158 V HN 1.823 nan 8.190 nan 0.000 0.490 159 G N 3.188 111.999 108.800 0.018 0.000 2.180 159 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 159 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 159 G C 0.194 175.097 174.900 0.004 0.000 0.989 159 G CA 0.617 45.731 45.100 0.024 0.000 0.692 159 G HN 0.894 nan 8.290 nan 0.000 0.526 160 E N 1.086 121.284 120.200 -0.004 0.000 2.289 160 E HA 0.525 4.875 4.350 0.000 0.000 0.278 160 E C 0.733 177.283 176.600 -0.083 0.000 1.032 160 E CA 0.208 56.594 56.400 -0.023 0.000 0.854 160 E CB 0.477 30.184 29.700 0.013 0.000 1.046 160 E HN 0.381 nan 8.360 nan 0.000 0.409 161 T N 0.193 114.666 114.554 -0.135 0.000 2.912 161 T HA 0.578 4.928 4.350 0.000 0.000 0.288 161 T C -0.448 174.020 174.700 -0.387 0.000 1.030 161 T CA -0.918 60.995 62.100 -0.311 0.000 1.020 161 T CB 1.548 70.137 68.868 -0.465 0.000 1.056 161 T HN 0.164 nan 8.240 nan 0.000 0.480 162 V N 2.431 121.996 119.914 -0.581 0.000 2.555 162 V HA 0.610 4.730 4.120 0.000 0.000 0.302 162 V C -1.286 174.357 176.094 -0.751 0.000 1.038 162 V CA -0.824 61.180 62.300 -0.493 0.000 0.887 162 V CB 0.945 32.523 31.823 -0.409 0.000 0.991 162 V HN 0.949 nan 8.190 nan 0.000 0.434 163 Y N 1.555 121.720 120.300 -0.224 0.000 2.581 163 Y HA 0.872 5.422 4.550 0.000 0.000 0.345 163 Y C 0.741 176.484 175.900 -0.263 0.000 1.036 163 Y CA 0.211 58.172 58.100 -0.231 0.000 1.042 163 Y CB 2.350 40.679 38.460 -0.217 0.000 1.289 163 Y HN 0.991 nan 8.280 nan 0.000 0.471 164 G N 0.181 108.925 108.800 -0.095 0.000 2.443 164 G HA2 -0.114 3.846 3.960 0.000 0.000 0.209 164 G HA3 -0.114 3.846 3.960 0.000 0.000 0.209 164 G C -0.404 174.365 174.900 -0.219 0.000 1.176 164 G CA -0.402 44.598 45.100 -0.167 0.000 1.074 164 G HN 1.188 nan 8.290 nan 0.000 0.577 165 L N -0.158 120.927 121.223 -0.229 0.000 3.938 165 L HA 0.035 4.375 4.340 0.000 0.000 0.405 165 L C 1.470 178.237 176.870 -0.171 0.000 1.202 165 L CA 1.312 55.999 54.840 -0.255 0.000 0.920 165 L CB -1.846 39.978 42.059 -0.391 0.000 2.054 165 L HN 2.942 nan 8.230 nan 0.000 0.815 166 G N 0.174 108.887 108.800 -0.145 0.000 2.627 166 G HA2 -0.248 3.712 3.960 0.000 0.000 0.214 166 G HA3 -0.248 3.712 3.960 0.000 0.000 0.214 166 G C -0.298 174.418 174.900 -0.306 0.000 1.331 166 G CA 0.186 45.166 45.100 -0.200 0.000 0.891 166 G HN 0.458 nan 8.290 nan 0.000 0.539 167 E N 1.038 121.006 120.200 -0.386 0.000 1.865 167 E HA 0.357 4.707 4.350 0.000 0.000 0.269 167 E C 0.666 176.861 176.600 -0.676 0.000 1.177 167 E CA -0.178 55.920 56.400 -0.504 0.000 0.932 167 E CB -0.086 29.357 29.700 -0.429 0.000 1.066 167 E HN 0.471 nan 8.360 nan 0.000 0.405 168 R N 3.034 123.142 120.500 -0.653 0.000 2.732 168 R HA 0.335 4.675 4.340 0.000 0.000 0.278 168 R C -0.182 175.664 176.300 -0.757 0.000 0.976 168 R CA -0.699 55.010 56.100 -0.651 0.000 0.963 168 R CB 0.790 30.903 30.300 -0.312 0.000 1.150 168 R HN 0.440 nan 8.270 nan 0.000 0.478 169 F N -0.300 119.623 119.950 -0.045 0.000 2.653 169 F HA 0.088 4.615 4.527 0.000 0.000 0.304 169 F C 1.241 177.026 175.800 -0.024 0.000 1.092 169 F CA -0.422 57.566 58.000 -0.020 0.000 1.279 169 F CB 0.247 39.259 39.000 0.019 0.000 1.044 169 F HN 0.479 nan 8.300 nan 0.000 0.564 170 T N -1.379 113.206 114.554 0.052 0.000 2.833 170 T HA 0.676 5.026 4.350 0.000 0.000 0.292 170 T C 0.699 175.392 174.700 -0.013 0.000 1.031 170 T CA -0.657 61.458 62.100 0.024 0.000 0.937 170 T CB 0.732 69.595 68.868 -0.009 0.000 1.256 170 T HN 0.142 nan 8.240 nan 0.000 0.551 171 A N 0.341 123.149 122.820 -0.021 0.000 2.587 171 A HA 0.204 4.524 4.320 0.000 0.000 0.235 171 A C 1.392 178.946 177.584 -0.050 0.000 1.044 171 A CA -0.343 51.679 52.037 -0.025 0.000 0.754 171 A CB -0.648 18.339 19.000 -0.022 0.000 0.968 171 A HN 0.970 nan 8.150 nan 0.000 0.509 172 L N 3.849 125.053 121.223 -0.032 0.000 2.042 172 L HA -0.073 4.267 4.340 0.000 0.000 0.210 172 L C 1.000 177.806 176.870 -0.107 0.000 1.076 172 L CA 1.757 56.574 54.840 -0.040 0.000 0.749 172 L CB -0.261 41.813 42.059 0.025 0.000 0.893 172 L HN 0.477 nan 8.230 nan 0.000 0.432 173 V N 0.859 120.686 119.914 -0.145 0.000 2.455 173 V HA 0.065 4.185 4.120 0.000 0.000 0.273 173 V C 1.457 177.386 176.094 -0.276 0.000 1.045 173 V CA -0.190 61.882 62.300 -0.381 0.000 0.976 173 V CB 1.009 32.642 31.823 -0.317 0.000 0.993 173 V HN 0.315 nan 8.190 nan 0.000 0.475 174 R N 3.285 123.568 120.500 -0.362 0.000 2.096 174 R HA -0.063 4.277 4.340 0.000 0.000 0.235 174 R C 0.669 176.847 176.300 -0.203 0.000 1.127 174 R CA 0.631 56.571 56.100 -0.266 0.000 0.968 174 R CB -0.538 29.572 30.300 -0.318 0.000 0.861 174 R HN 0.787 nan 8.270 nan 0.000 0.440 175 N N 0.167 118.739 118.700 -0.213 0.000 2.030 175 N HA -0.033 4.707 4.740 0.000 0.000 0.292 175 N C 0.849 176.303 175.510 -0.094 0.000 1.315 175 N CA 1.620 54.586 53.050 -0.140 0.000 0.810 175 N CB 0.081 38.505 38.487 -0.106 0.000 1.048 175 N HN 0.459 nan 8.380 nan 0.000 0.492 176 G N 0.641 109.391 108.800 -0.084 0.000 2.194 176 G HA2 -0.242 3.718 3.960 0.000 0.000 0.236 176 G HA3 -0.242 3.718 3.960 0.000 0.000 0.236 176 G C -0.247 174.617 174.900 -0.060 0.000 0.987 176 G CA 0.297 45.358 45.100 -0.064 0.000 0.635 176 G HN 0.789 nan 8.290 nan 0.000 0.520 177 Q N 0.135 119.893 119.800 -0.070 0.000 2.399 177 Q HA 0.711 5.051 4.340 0.000 0.000 0.276 177 Q C -0.293 175.682 176.000 -0.041 0.000 1.098 177 Q CA -0.321 55.449 55.803 -0.054 0.000 0.827 177 Q CB 1.846 30.549 28.738 -0.059 0.000 1.386 177 Q HN 0.591 nan 8.270 nan 0.000 0.443 178 T N -1.312 113.230 114.554 -0.020 0.000 2.829 178 T HA 0.568 4.918 4.350 0.000 0.000 0.282 178 T C -0.590 174.124 174.700 0.025 0.000 0.990 178 T CA -0.686 61.419 62.100 0.008 0.000 1.028 178 T CB 1.489 70.356 68.868 -0.003 0.000 0.951 178 T HN 0.588 nan 8.240 nan 0.000 0.460 179 V N 2.649 122.609 119.914 0.077 0.000 2.686 179 V HA 0.595 4.715 4.120 0.000 0.000 0.306 179 V C -1.376 174.832 176.094 0.189 0.000 1.065 179 V CA -0.692 61.658 62.300 0.084 0.000 0.894 179 V CB 1.958 33.777 31.823 -0.005 0.000 1.004 179 V HN 1.014 nan 8.190 nan 0.000 0.424 180 E N 3.817 124.113 120.200 0.161 0.000 2.133 180 E HA 0.307 4.657 4.350 0.000 0.000 0.274 180 E C -0.082 176.683 176.600 0.274 0.000 0.930 180 E CA -0.314 56.209 56.400 0.205 0.000 0.770 180 E CB 1.691 31.469 29.700 0.130 0.000 1.104 180 E HN 0.882 nan 8.360 nan 0.000 0.403 181 T N 1.001 115.768 114.554 0.356 0.000 3.455 181 T HA 0.227 4.577 4.350 0.000 0.000 0.286 181 T C -0.210 174.784 174.700 0.490 0.000 1.157 181 T CA -0.710 61.609 62.100 0.365 0.000 1.090 181 T CB -0.255 68.853 68.868 0.400 0.000 1.112 181 T HN 0.406 nan 8.240 nan 0.000 0.779 182 W N 4.185 125.598 121.300 0.190 0.000 2.802 182 W HA 0.298 4.958 4.660 0.000 0.000 0.331 182 W C -1.296 175.391 176.519 0.280 0.000 1.021 182 W CA -1.024 56.462 57.345 0.235 0.000 1.259 182 W CB 1.296 30.829 29.460 0.122 0.000 1.323 182 W HN 0.357 nan 8.180 nan 0.000 0.432 183 N N 5.208 123.997 118.700 0.148 0.000 2.412 183 N HA 0.120 4.860 4.740 0.000 0.000 0.258 183 N C -0.186 175.411 175.510 0.145 0.000 1.236 183 N CA 0.702 53.806 53.050 0.090 0.000 0.882 183 N CB 0.650 39.117 38.487 -0.034 0.000 1.066 183 N HN 0.396 nan 8.380 nan 0.000 0.465 184 R N 0.230 120.819 120.500 0.148 0.000 2.764 184 R HA 0.269 4.609 4.340 0.000 0.000 0.270 184 R C -1.183 175.175 176.300 0.097 0.000 1.014 184 R CA -0.786 55.419 56.100 0.176 0.000 0.904 184 R CB 1.502 31.920 30.300 0.197 0.000 1.236 184 R HN 0.395 nan 8.270 nan 0.000 0.466 185 D N 0.735 121.230 120.400 0.158 0.000 2.485 185 D HA 0.216 4.856 4.640 0.000 0.000 0.256 185 D C -0.057 176.279 176.300 0.059 0.000 1.141 185 D CA -0.039 54.058 54.000 0.162 0.000 0.942 185 D CB 0.815 41.792 40.800 0.295 0.000 1.003 185 D HN 0.787 nan 8.370 nan 0.000 0.507 186 G N 1.084 109.794 108.800 -0.151 0.000 3.519 186 G HA2 0.487 4.447 3.960 0.000 0.000 0.269 186 G HA3 0.487 4.447 3.960 0.000 0.000 0.269 186 G C 0.828 175.676 174.900 -0.087 0.000 1.028 186 G CA 0.182 45.246 45.100 -0.060 0.000 0.809 186 G HN 0.772 nan 8.290 nan 0.000 0.521 187 G N 0.131 108.838 108.800 -0.155 0.000 2.584 187 G HA2 -0.004 3.956 3.960 0.000 0.000 0.229 187 G HA3 -0.004 3.956 3.960 0.000 0.000 0.229 187 G C 0.750 175.506 174.900 -0.241 0.000 1.320 187 G CA 0.695 45.770 45.100 -0.041 0.000 0.891 187 G HN 1.168 nan 8.290 nan 0.000 0.573 188 T N -3.500 110.886 114.554 -0.280 0.000 3.043 188 T HA 0.503 4.853 4.350 0.000 0.000 0.272 188 T C 1.305 175.695 174.700 -0.517 0.000 0.990 188 T CA 1.188 62.734 62.100 -0.923 0.000 0.897 188 T CB 0.106 68.435 68.868 -0.899 0.000 1.111 188 T HN 1.739 nan 8.240 nan 0.000 0.529 189 S N 1.295 116.919 115.700 -0.126 0.000 2.562 189 S HA 0.436 4.906 4.470 0.000 0.000 0.246 189 S C 0.480 175.102 174.600 0.037 0.000 1.056 189 S CA -0.265 57.932 58.200 -0.004 0.000 1.042 189 S CB -0.164 63.050 63.200 0.023 0.000 0.822 189 S HN 0.745 nan 8.310 nan 0.000 0.465 190 T N -1.695 112.897 114.554 0.063 0.000 2.804 190 T HA 0.444 4.795 4.350 0.000 0.000 0.290 190 T C 0.656 175.421 174.700 0.108 0.000 1.099 190 T CA -0.497 61.646 62.100 0.072 0.000 1.011 190 T CB 1.350 70.250 68.868 0.053 0.000 1.291 190 T HN 0.030 nan 8.240 nan 0.000 0.523 191 E N 0.173 120.418 120.200 0.075 0.000 2.409 191 E HA -0.080 4.270 4.350 0.000 0.000 0.198 191 E C 0.240 176.882 176.600 0.071 0.000 1.024 191 E CA 0.573 57.011 56.400 0.065 0.000 0.861 191 E CB -0.154 29.571 29.700 0.042 0.000 0.788 191 E HN 0.727 nan 8.360 nan 0.000 0.521 192 Q N 0.324 120.170 119.800 0.077 0.000 2.368 192 Q HA 0.529 4.869 4.340 0.000 0.000 0.237 192 Q C -0.613 175.411 176.000 0.040 0.000 0.987 192 Q CA -0.038 55.800 55.803 0.059 0.000 0.896 192 Q CB 1.492 30.254 28.738 0.040 0.000 1.241 192 Q HN 0.290 nan 8.270 nan 0.000 0.485 193 A N 0.930 123.745 122.820 -0.008 0.000 2.539 193 A HA 0.458 4.778 4.320 0.000 0.000 0.296 193 A C -1.190 176.348 177.584 -0.077 0.000 1.073 193 A CA -0.654 51.351 52.037 -0.054 0.000 0.700 193 A CB 0.553 19.513 19.000 -0.068 0.000 1.296 193 A HN 0.807 nan 8.150 nan 0.000 0.405 194 Y N 0.476 120.811 120.300 0.058 0.000 2.490 194 Y HA 0.156 4.706 4.550 0.000 0.000 0.285 194 Y C 0.512 176.391 175.900 -0.036 0.000 1.117 194 Y CA 0.958 59.055 58.100 -0.005 0.000 1.262 194 Y CB 0.247 38.653 38.460 -0.089 0.000 1.043 194 Y HN 0.495 nan 8.280 nan 0.000 0.553 195 K N 1.368 121.815 120.400 0.078 0.000 2.616 195 K HA 0.271 4.591 4.320 0.000 0.000 0.241 195 K C -1.141 175.420 176.600 -0.065 0.000 0.961 195 K CA -0.350 55.914 56.287 -0.038 0.000 0.942 195 K CB 1.044 33.411 32.500 -0.222 0.000 1.153 195 K HN 0.027 nan 8.250 nan 0.000 0.452 196 N N 3.580 122.299 118.700 0.032 0.000 2.456 196 N HA 0.477 5.217 4.740 0.000 0.000 0.296 196 N C -0.708 174.863 175.510 0.102 0.000 1.102 196 N CA -0.495 52.595 53.050 0.066 0.000 0.924 196 N CB 1.687 40.270 38.487 0.161 0.000 1.186 196 N HN 0.333 nan 8.380 nan 0.000 0.492 197 I N 2.433 123.057 120.570 0.089 0.000 2.571 197 I HA 0.189 4.359 4.170 0.000 0.000 0.286 197 I C -2.335 173.866 176.117 0.141 0.000 1.134 197 I CA -1.628 59.750 61.300 0.130 0.000 1.052 197 I CB 2.327 40.402 38.000 0.125 0.000 1.237 197 I HN 0.220 nan 8.210 nan 0.000 0.435 198 P HA 0.115 nan 4.420 nan 0.000 0.228 198 P C -0.641 176.839 177.300 0.299 0.000 1.748 198 P CA 0.234 63.552 63.100 0.364 0.000 0.909 198 P CB -0.552 31.472 31.700 0.540 0.000 1.882 199 F N 2.944 122.860 119.950 -0.057 0.000 2.547 199 F HA 0.547 5.074 4.527 0.000 0.000 0.316 199 F C -1.391 174.294 175.800 -0.192 0.000 1.121 199 F CA -1.390 56.512 58.000 -0.163 0.000 0.911 199 F CB 1.527 40.318 39.000 -0.348 0.000 1.179 199 F HN -0.017 nan 8.300 nan 0.000 0.443 200 Y N 5.314 124.904 120.300 -1.184 0.000 2.609 200 Y HA 0.827 5.377 4.550 0.000 0.000 0.342 200 Y C -1.379 173.845 175.900 -1.126 0.000 1.058 200 Y CA -1.817 55.680 58.100 -1.006 0.000 1.055 200 Y CB 1.669 39.783 38.460 -0.577 0.000 1.292 200 Y HN 0.821 nan 8.280 nan 0.000 0.476 201 M N 1.549 120.842 119.600 -0.512 0.000 2.575 201 M HA 0.826 5.307 4.480 0.000 0.000 0.284 201 M C -1.454 174.758 176.300 -0.147 0.000 1.253 201 M CA -0.587 54.457 55.300 -0.426 0.000 0.861 201 M CB 2.640 35.014 32.600 -0.377 0.000 1.733 201 M HN 0.929 nan 8.290 nan 0.000 0.462 202 T N -2.054 112.318 114.554 -0.304 0.000 2.910 202 T HA 0.456 4.806 4.350 0.000 0.000 0.287 202 T C 0.358 174.977 174.700 -0.135 0.000 1.050 202 T CA -0.601 61.387 62.100 -0.186 0.000 1.011 202 T CB 1.102 69.743 68.868 -0.379 0.000 1.195 202 T HN 0.837 nan 8.240 nan 0.000 0.540 203 N N -0.252 118.437 118.700 -0.018 0.000 2.421 203 N HA 0.010 4.750 4.740 0.000 0.000 0.201 203 N C 0.877 176.351 175.510 -0.059 0.000 1.198 203 N CA -0.181 52.850 53.050 -0.033 0.000 0.838 203 N CB -0.249 38.252 38.487 0.024 0.000 1.011 203 N HN 0.678 nan 8.380 nan 0.000 0.463 204 R N -0.210 120.222 120.500 -0.113 0.000 2.397 204 R HA 0.172 4.512 4.340 0.000 0.000 0.241 204 R C 0.290 176.591 176.300 0.001 0.000 0.914 204 R CA 0.509 56.594 56.100 -0.025 0.000 1.071 204 R CB 0.018 30.360 30.300 0.069 0.000 1.116 204 R HN 0.299 nan 8.270 nan 0.000 0.524 205 G N 0.833 109.578 108.800 -0.092 0.000 2.149 205 G HA2 -0.293 3.667 3.960 0.000 0.000 0.235 205 G HA3 -0.293 3.667 3.960 0.000 0.000 0.235 205 G C -0.563 174.364 174.900 0.046 0.000 1.018 205 G CA 0.571 45.654 45.100 -0.028 0.000 0.728 205 G HN 0.451 nan 8.290 nan 0.000 0.508 206 Y N -2.051 118.235 120.300 -0.024 0.000 2.588 206 Y HA 0.817 5.367 4.550 0.000 0.000 0.343 206 Y C 0.235 176.079 175.900 -0.095 0.000 1.065 206 Y CA -1.503 56.572 58.100 -0.041 0.000 1.038 206 Y CB 0.939 39.376 38.460 -0.039 0.000 1.297 206 Y HN 0.699 nan 8.280 nan 0.000 0.467 207 G N 0.168 109.043 108.800 0.124 0.000 2.569 207 G HA2 0.639 4.599 3.960 0.000 0.000 0.300 207 G HA3 0.639 4.599 3.960 0.000 0.000 0.300 207 G C -1.846 173.018 174.900 -0.061 0.000 1.269 207 G CA -0.798 44.240 45.100 -0.105 0.000 0.959 207 G HN 1.545 nan 8.290 nan 0.000 0.478 208 V N 0.115 119.762 119.914 -0.445 0.000 2.668 208 V HA 0.766 4.886 4.120 0.000 0.000 0.304 208 V C -1.649 174.411 176.094 -0.057 0.000 1.071 208 V CA -0.973 61.185 62.300 -0.237 0.000 0.894 208 V CB 1.449 33.040 31.823 -0.387 0.000 1.008 208 V HN 0.945 nan 8.190 nan 0.000 0.425 209 L N 7.245 128.664 121.223 0.328 0.000 2.287 209 L HA 0.740 5.080 4.340 0.000 0.000 0.287 209 L C -0.543 176.551 176.870 0.374 0.000 1.022 209 L CA -0.065 55.045 54.840 0.451 0.000 0.814 209 L CB 1.724 44.128 42.059 0.575 0.000 1.217 209 L HN 0.618 nan 8.230 nan 0.000 0.420 210 V N 5.068 125.143 119.914 0.269 0.000 2.389 210 V HA 0.193 4.313 4.120 0.000 0.000 0.264 210 V C 0.777 177.065 176.094 0.324 0.000 1.049 210 V CA -0.446 61.976 62.300 0.203 0.000 0.932 210 V CB 0.583 32.424 31.823 0.031 0.000 1.011 210 V HN 0.801 nan 8.190 nan 0.000 0.475 211 N N 4.209 123.049 118.700 0.233 0.000 3.105 211 N HA -0.016 4.724 4.740 0.000 0.000 0.309 211 N C -0.238 175.132 175.510 -0.234 0.000 1.291 211 N CA 0.218 53.386 53.050 0.198 0.000 1.153 211 N CB -0.511 38.154 38.487 0.297 0.000 1.447 211 N HN 0.656 nan 8.380 nan 0.000 0.555 212 H N -0.384 118.852 119.070 0.275 0.000 2.970 212 H HA 0.240 4.797 4.556 0.000 0.000 0.315 212 H C -1.840 173.485 175.328 -0.005 0.000 0.992 212 H CA -1.644 54.452 56.048 0.081 0.000 1.363 212 H CB 1.959 31.776 29.762 0.091 0.000 1.532 212 H HN 0.161 nan 8.280 nan 0.000 0.514 213 P HA -0.130 nan 4.420 nan 0.000 0.225 213 P C 0.116 177.508 177.300 0.153 0.000 1.148 213 P CA 1.026 63.960 63.100 -0.277 0.000 0.779 213 P CB 0.540 31.931 31.700 -0.515 0.000 0.780 214 Q N -1.225 118.702 119.800 0.212 0.000 2.308 214 Q HA 0.211 4.551 4.340 0.000 0.000 0.207 214 Q C 0.142 176.381 176.000 0.398 0.000 1.035 214 Q CA -0.717 55.289 55.803 0.337 0.000 1.008 214 Q CB -0.632 28.253 28.738 0.243 0.000 1.168 214 Q HN -0.077 nan 8.270 nan 0.000 0.565 215 C N 1.142 120.713 119.300 0.452 0.000 2.517 215 C HA 0.228 4.688 4.460 0.000 0.000 0.403 215 C C -0.181 174.933 174.990 0.207 0.000 1.467 215 C CA -0.270 58.954 59.018 0.343 0.000 1.542 215 C CB -1.354 26.371 27.740 -0.024 0.000 2.482 215 C HN 0.494 nan 8.230 nan 0.000 0.610 216 V N 7.196 127.265 119.914 0.259 0.000 2.459 216 V HA 0.421 4.541 4.120 0.000 0.000 0.295 216 V C 0.288 176.447 176.094 0.108 0.000 1.029 216 V CA -0.119 62.269 62.300 0.146 0.000 0.874 216 V CB 1.890 33.828 31.823 0.191 0.000 0.985 216 V HN 0.916 nan 8.190 nan 0.000 0.438 217 S N 4.726 120.401 115.700 -0.042 0.000 2.422 217 S HA 0.684 5.154 4.470 0.000 0.000 0.308 217 S C -0.951 173.592 174.600 -0.096 0.000 1.097 217 S CA -0.372 57.817 58.200 -0.017 0.000 1.099 217 S CB -0.051 63.094 63.200 -0.091 0.000 0.976 217 S HN 0.389 nan 8.310 nan 0.000 0.471 218 F N 2.902 122.885 119.950 0.056 0.000 2.436 218 F HA 0.451 4.979 4.527 0.000 0.000 0.340 218 F C 0.706 176.497 175.800 -0.015 0.000 1.113 218 F CA -0.696 57.336 58.000 0.052 0.000 1.022 218 F CB 1.532 40.544 39.000 0.020 0.000 1.128 218 F HN 0.396 nan 8.300 nan 0.000 0.466 219 E N 3.429 123.708 120.200 0.132 0.000 2.256 219 E HA 0.227 4.578 4.350 0.000 0.000 0.243 219 E C -0.973 175.637 176.600 0.018 0.000 0.925 219 E CA -0.335 56.085 56.400 0.034 0.000 0.748 219 E CB 1.741 31.425 29.700 -0.026 0.000 1.206 219 E HN 0.254 nan 8.360 nan 0.000 0.428 220 V N 1.695 121.602 119.914 -0.012 0.000 2.326 220 V HA 0.196 4.316 4.120 0.000 0.000 0.249 220 V C 1.438 177.478 176.094 -0.090 0.000 1.114 220 V CA 0.415 62.661 62.300 -0.091 0.000 1.028 220 V CB 0.070 31.790 31.823 -0.173 0.000 1.170 220 V HN 0.908 nan 8.190 nan 0.000 0.494 221 G N 4.541 113.297 108.800 -0.074 0.000 2.187 221 G HA2 -0.318 3.642 3.960 0.000 0.000 0.261 221 G HA3 -0.318 3.642 3.960 0.000 0.000 0.261 221 G C 0.872 175.735 174.900 -0.061 0.000 1.000 221 G CA 0.795 45.855 45.100 -0.067 0.000 0.718 221 G HN 0.956 nan 8.290 nan 0.000 0.519 222 S N -1.768 113.898 115.700 -0.057 0.000 2.502 222 S HA 0.334 4.804 4.470 0.000 0.000 0.215 222 S C 1.453 176.018 174.600 -0.058 0.000 1.009 222 S CA 0.945 59.113 58.200 -0.053 0.000 0.908 222 S CB 0.628 63.800 63.200 -0.046 0.000 0.801 222 S HN 0.638 nan 8.310 nan 0.000 0.505 223 E N 1.091 121.253 120.200 -0.063 0.000 2.176 223 E HA 0.178 4.528 4.350 0.000 0.000 0.194 223 E C -0.458 176.095 176.600 -0.078 0.000 0.947 223 E CA 0.071 56.426 56.400 -0.076 0.000 0.960 223 E CB 0.454 30.101 29.700 -0.088 0.000 1.002 223 E HN 0.010 nan 8.360 nan 0.000 0.479 224 K N 2.445 122.802 120.400 -0.072 0.000 2.268 224 K HA 0.114 4.434 4.320 0.000 0.000 0.276 224 K C 1.074 177.637 176.600 -0.062 0.000 1.080 224 K CA 0.015 56.259 56.287 -0.073 0.000 0.910 224 K CB 1.461 33.923 32.500 -0.064 0.000 1.163 224 K HN 0.250 nan 8.250 nan 0.000 0.465 225 V N 0.717 120.593 119.914 -0.063 0.000 2.527 225 V HA -0.228 3.892 4.120 0.000 0.000 0.255 225 V C 1.121 177.188 176.094 -0.046 0.000 1.081 225 V CA 2.181 64.448 62.300 -0.054 0.000 1.092 225 V CB -0.694 31.098 31.823 -0.052 0.000 0.673 225 V HN 0.609 nan 8.190 nan 0.000 0.470 226 S N -1.226 114.450 115.700 -0.041 0.000 2.561 226 S HA 0.517 4.987 4.470 0.000 0.000 0.245 226 S C 0.015 174.606 174.600 -0.015 0.000 1.001 226 S CA -0.658 57.526 58.200 -0.026 0.000 1.002 226 S CB -0.247 62.941 63.200 -0.021 0.000 0.805 226 S HN 0.756 nan 8.310 nan 0.000 0.458 227 K N 0.147 120.532 120.400 -0.024 0.000 2.536 227 K HA 0.595 4.915 4.320 0.000 0.000 0.269 227 K C -1.652 174.934 176.600 -0.022 0.000 0.965 227 K CA -0.793 55.488 56.287 -0.010 0.000 0.860 227 K CB 2.460 34.950 32.500 -0.016 0.000 1.423 227 K HN 0.008 nan 8.250 nan 0.000 0.438 228 V N 2.428 122.344 119.914 0.004 0.000 2.328 228 V HA 0.232 4.352 4.120 0.000 0.000 0.278 228 V C -0.452 175.674 176.094 0.054 0.000 1.021 228 V CA -0.520 61.780 62.300 -0.001 0.000 0.838 228 V CB 1.064 32.833 31.823 -0.090 0.000 0.999 228 V HN 0.625 nan 8.190 nan 0.000 0.447 229 Q N 5.530 125.342 119.800 0.021 0.000 2.290 229 Q HA 0.621 4.961 4.340 0.000 0.000 0.259 229 Q C -1.495 174.484 176.000 -0.036 0.000 0.941 229 Q CA -0.580 55.177 55.803 -0.076 0.000 0.912 229 Q CB 1.387 30.091 28.738 -0.057 0.000 1.244 229 Q HN 0.715 nan 8.270 nan 0.000 0.441 230 F N 0.835 120.695 119.950 -0.150 0.000 2.547 230 F HA 0.729 5.256 4.527 0.000 0.000 0.316 230 F C -0.942 174.733 175.800 -0.209 0.000 1.121 230 F CA -0.901 56.864 58.000 -0.392 0.000 0.911 230 F CB 1.595 40.127 39.000 -0.780 0.000 1.179 230 F HN 0.403 nan 8.300 nan 0.000 0.443 231 S N 2.313 117.978 115.700 -0.059 0.000 2.569 231 S HA 0.887 5.357 4.470 0.000 0.000 0.280 231 S C -1.674 172.915 174.600 -0.017 0.000 1.111 231 S CA -0.855 57.338 58.200 -0.011 0.000 0.887 231 S CB 1.839 64.988 63.200 -0.085 0.000 1.095 231 S HN 1.284 nan 8.310 nan 0.000 0.476 232 V N 0.716 120.646 119.914 0.027 0.000 2.971 232 V HA 0.526 4.646 4.120 0.000 0.000 0.309 232 V C -0.947 175.203 176.094 0.094 0.000 1.130 232 V CA -0.745 61.554 62.300 -0.001 0.000 0.964 232 V CB 1.929 33.619 31.823 -0.222 0.000 1.029 232 V HN 1.121 nan 8.190 nan 0.000 0.427 233 E N 3.628 123.897 120.200 0.116 0.000 1.944 233 E HA 0.500 4.850 4.350 0.000 0.000 0.272 233 E C -0.513 176.010 176.600 -0.128 0.000 1.195 233 E CA 0.290 56.647 56.400 -0.071 0.000 0.926 233 E CB 0.389 30.001 29.700 -0.147 0.000 1.051 233 E HN 0.758 nan 8.360 nan 0.000 0.404 234 S N 3.053 118.677 115.700 -0.127 0.000 2.615 234 S HA 0.141 4.611 4.470 0.000 0.000 0.268 234 S C -0.289 174.335 174.600 0.039 0.000 1.146 234 S CA -0.692 57.441 58.200 -0.110 0.000 0.818 234 S CB 1.366 64.333 63.200 -0.387 0.000 1.111 234 S HN 0.486 nan 8.310 nan 0.000 0.465 235 E N 0.624 120.920 120.200 0.160 0.000 2.474 235 E HA 0.222 4.572 4.350 0.000 0.000 0.195 235 E C -0.787 176.028 176.600 0.358 0.000 1.039 235 E CA 0.348 56.933 56.400 0.309 0.000 0.881 235 E CB 0.302 30.201 29.700 0.330 0.000 0.970 235 E HN 0.566 nan 8.360 nan 0.000 0.486 236 Y N -1.808 118.603 120.300 0.186 0.000 2.552 236 Y HA 0.580 5.130 4.550 0.000 0.000 0.337 236 Y C -1.513 174.528 175.900 0.235 0.000 1.094 236 Y CA -1.663 56.555 58.100 0.197 0.000 1.028 236 Y CB 0.828 39.389 38.460 0.167 0.000 1.321 236 Y HN -0.219 nan 8.280 nan 0.000 0.456 237 L N 3.326 124.720 121.223 0.285 0.000 2.333 237 L HA 0.625 4.965 4.340 0.000 0.000 0.280 237 L C -1.072 176.084 176.870 0.477 0.000 1.004 237 L CA -0.606 54.452 54.840 0.364 0.000 0.820 237 L CB 1.755 43.991 42.059 0.295 0.000 1.247 237 L HN 0.908 nan 8.230 nan 0.000 0.416 238 E N 4.186 124.700 120.200 0.523 0.000 2.241 238 E HA 0.476 4.826 4.350 0.000 0.000 0.263 238 E C -1.922 174.758 176.600 0.134 0.000 0.882 238 E CA -0.593 55.930 56.400 0.204 0.000 0.769 238 E CB 1.284 31.088 29.700 0.173 0.000 1.185 238 E HN 0.567 nan 8.360 nan 0.000 0.415 239 Y N 1.631 121.866 120.300 -0.108 0.000 2.605 239 Y HA 0.738 5.288 4.550 0.000 0.000 0.343 239 Y C -1.604 174.076 175.900 -0.368 0.000 1.036 239 Y CA -1.537 56.501 58.100 -0.104 0.000 1.065 239 Y CB 1.049 39.550 38.460 0.069 0.000 1.288 239 Y HN 0.236 nan 8.280 nan 0.000 0.481 240 F N 0.977 121.024 119.950 0.161 0.000 2.518 240 F HA 0.602 5.129 4.527 0.000 0.000 0.323 240 F C -0.823 174.974 175.800 -0.004 0.000 1.129 240 F CA -1.196 56.797 58.000 -0.012 0.000 0.920 240 F CB 2.237 41.265 39.000 0.048 0.000 1.160 240 F HN 0.352 nan 8.300 nan 0.000 0.440 241 V N 5.293 125.219 119.914 0.021 0.000 2.383 241 V HA 0.379 4.499 4.120 0.000 0.000 0.275 241 V C 0.062 176.148 176.094 -0.014 0.000 1.036 241 V CA -0.540 61.697 62.300 -0.105 0.000 0.889 241 V CB 1.157 32.680 31.823 -0.500 0.000 0.985 241 V HN 0.510 nan 8.190 nan 0.000 0.459 242 I N 3.909 124.514 120.570 0.058 0.000 2.339 242 I HA 0.352 4.522 4.170 0.000 0.000 0.290 242 I C -0.055 176.110 176.117 0.081 0.000 0.994 242 I CA -0.471 60.864 61.300 0.058 0.000 1.191 242 I CB 1.567 39.648 38.000 0.134 0.000 1.343 242 I HN 0.527 nan 8.210 nan 0.000 0.458 243 D N 4.319 124.742 120.400 0.039 0.000 2.339 243 D HA 0.365 5.005 4.640 0.000 0.000 0.245 243 D C 0.688 177.017 176.300 0.047 0.000 1.115 243 D CA 0.138 54.171 54.000 0.055 0.000 0.917 243 D CB 1.632 42.444 40.800 0.021 0.000 1.192 243 D HN 0.594 nan 8.370 nan 0.000 0.428 244 G N 1.220 110.053 108.800 0.056 0.000 2.756 244 G HA2 0.116 4.076 3.960 0.000 0.000 0.203 244 G HA3 0.116 4.076 3.960 0.000 0.000 0.203 244 G C -1.365 173.539 174.900 0.007 0.000 2.015 244 G CA -0.106 45.009 45.100 0.025 0.000 0.835 244 G HN 0.625 nan 8.290 nan 0.000 0.648 245 P HA 0.126 nan 4.420 nan 0.000 0.245 245 P C 0.216 177.514 177.300 -0.002 0.000 1.212 245 P CA 0.848 63.958 63.100 0.017 0.000 0.774 245 P CB 0.003 31.712 31.700 0.016 0.000 0.999 246 T N -4.894 109.648 114.554 -0.021 0.000 2.932 246 T HA 0.443 4.793 4.350 0.000 0.000 0.289 246 T C -2.236 172.429 174.700 -0.058 0.000 1.039 246 T CA -2.362 59.712 62.100 -0.044 0.000 1.024 246 T CB 2.005 70.841 68.868 -0.053 0.000 1.090 246 T HN -0.366 nan 8.240 nan 0.000 0.496 247 P HA -0.117 nan 4.420 nan 0.000 0.216 247 P C 1.315 178.566 177.300 -0.081 0.000 1.157 247 P CA 1.410 64.447 63.100 -0.105 0.000 0.880 247 P CB 0.070 31.673 31.700 -0.161 0.000 0.791 248 K N -0.927 119.420 120.400 -0.089 0.000 2.147 248 K HA -0.042 4.278 4.320 0.000 0.000 0.205 248 K C 2.071 178.635 176.600 -0.060 0.000 1.049 248 K CA 1.366 57.604 56.287 -0.082 0.000 0.936 248 K CB -0.480 31.963 32.500 -0.096 0.000 0.722 248 K HN 0.078 nan 8.250 nan 0.000 0.446 249 A N 0.845 123.636 122.820 -0.049 0.000 1.970 249 A HA -0.051 4.269 4.320 0.000 0.000 0.216 249 A C 2.295 179.869 177.584 -0.016 0.000 1.170 249 A CA 0.848 52.863 52.037 -0.036 0.000 0.645 249 A CB -0.305 18.677 19.000 -0.030 0.000 0.816 249 A HN 0.035 nan 8.150 nan 0.000 0.447 250 V N 0.262 120.176 119.914 -0.000 0.000 2.270 250 V HA -0.236 3.884 4.120 0.000 0.000 0.245 250 V C 2.518 178.645 176.094 0.055 0.000 1.043 250 V CA 1.888 64.215 62.300 0.045 0.000 1.014 250 V CB -0.795 31.069 31.823 0.068 0.000 0.645 250 V HN 0.572 nan 8.190 nan 0.000 0.447 251 L N 0.247 121.485 121.223 0.026 0.000 2.187 251 L HA -0.206 4.134 4.340 0.000 0.000 0.213 251 L C 2.392 179.253 176.870 -0.015 0.000 1.100 251 L CA 1.757 56.602 54.840 0.009 0.000 0.765 251 L CB -0.640 41.401 42.059 -0.030 0.000 0.904 251 L HN 0.437 nan 8.230 nan 0.000 0.437 252 D N 0.344 120.722 120.400 -0.036 0.000 2.097 252 D HA -0.164 4.476 4.640 0.000 0.000 0.197 252 D C 2.313 178.576 176.300 -0.061 0.000 0.984 252 D CA 1.380 55.345 54.000 -0.059 0.000 0.826 252 D CB 0.127 40.892 40.800 -0.058 0.000 0.973 252 D HN 0.128 nan 8.370 nan 0.000 0.460 253 R N -1.072 119.404 120.500 -0.040 0.000 2.075 253 R HA -0.147 4.193 4.340 0.000 0.000 0.232 253 R C 2.401 178.672 176.300 -0.050 0.000 1.126 253 R CA 1.158 57.224 56.100 -0.056 0.000 0.963 253 R CB -0.652 29.614 30.300 -0.056 0.000 0.858 253 R HN 0.316 nan 8.270 nan 0.000 0.435 254 Y N 2.091 122.296 120.300 -0.159 0.000 2.128 254 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 254 Y C 2.563 178.315 175.900 -0.246 0.000 1.154 254 Y CA 2.187 60.141 58.100 -0.244 0.000 1.149 254 Y CB -0.546 37.590 38.460 -0.539 0.000 0.976 254 Y HN 0.131 nan 8.280 nan 0.000 0.505 255 T N -1.573 112.806 114.554 -0.292 0.000 2.995 255 T HA -0.137 4.213 4.350 0.000 0.000 0.269 255 T C 2.002 176.517 174.700 -0.309 0.000 1.091 255 T CA 1.200 63.071 62.100 -0.381 0.000 1.128 255 T CB -0.440 68.283 68.868 -0.241 0.000 0.891 255 T HN 0.444 nan 8.240 nan 0.000 0.492 256 R N -0.825 119.555 120.500 -0.199 0.000 2.115 256 R HA 0.036 4.376 4.340 0.000 0.000 0.226 256 R C 2.082 178.314 176.300 -0.114 0.000 1.100 256 R CA 0.769 56.785 56.100 -0.141 0.000 0.980 256 R CB -0.367 29.876 30.300 -0.095 0.000 0.875 256 R HN 0.403 nan 8.270 nan 0.000 0.445 257 F N 1.180 120.914 119.950 -0.361 0.000 2.074 257 F HA -0.082 4.445 4.527 0.000 0.000 0.293 257 F C 2.296 177.818 175.800 -0.464 0.000 1.116 257 F CA 2.048 59.809 58.000 -0.398 0.000 1.212 257 F CB -0.764 37.969 39.000 -0.446 0.000 0.998 257 F HN 0.092 nan 8.300 nan 0.000 0.471 258 T N -1.981 112.130 114.554 -0.737 0.000 3.044 258 T HA 0.484 4.834 4.350 0.000 0.000 0.250 258 T C 0.746 175.073 174.700 -0.622 0.000 1.081 258 T CA 0.441 62.029 62.100 -0.853 0.000 1.040 258 T CB -0.253 67.935 68.868 -1.133 0.000 0.962 258 T HN 0.665 nan 8.240 nan 0.000 0.506 259 G N 1.105 109.589 108.800 -0.526 0.000 2.326 259 G HA2 0.260 4.220 3.960 0.000 0.000 0.299 259 G HA3 0.260 4.220 3.960 0.000 0.000 0.299 259 G C -1.406 173.249 174.900 -0.407 0.000 1.643 259 G CA -1.267 43.573 45.100 -0.434 0.000 0.916 259 G HN 0.280 nan 8.290 nan 0.000 0.700 260 R N 1.880 122.194 120.500 -0.311 0.000 2.265 260 R HA 0.413 4.753 4.340 0.000 0.000 0.314 260 R C -2.413 173.731 176.300 -0.259 0.000 1.053 260 R CA -1.847 54.104 56.100 -0.249 0.000 0.931 260 R CB 0.837 31.039 30.300 -0.164 0.000 1.024 260 R HN 0.305 nan 8.270 nan 0.000 0.457 261 P HA -0.028 nan 4.420 nan 0.000 0.266 261 P C -0.515 176.763 177.300 -0.038 0.000 1.195 261 P CA 0.296 63.307 63.100 -0.148 0.000 0.768 261 P CB 0.623 32.299 31.700 -0.040 0.000 0.838 262 A N 2.971 125.755 122.820 -0.060 0.000 2.271 262 A HA 0.437 4.757 4.320 0.000 0.000 0.288 262 A C -0.522 177.120 177.584 0.096 0.000 1.094 262 A CA -0.364 51.689 52.037 0.027 0.000 0.828 262 A CB -0.007 19.034 19.000 0.067 0.000 1.091 262 A HN 0.555 nan 8.150 nan 0.000 0.493 263 L N 2.366 123.643 121.223 0.091 0.000 2.268 263 L HA 0.459 4.799 4.340 0.000 0.000 0.289 263 L C -2.250 174.620 176.870 -0.000 0.000 1.064 263 L CA -1.789 53.071 54.840 0.033 0.000 0.824 263 L CB 0.352 42.440 42.059 0.047 0.000 1.202 263 L HN 0.365 nan 8.230 nan 0.000 0.433 264 P HA 0.207 nan 4.420 nan 0.000 0.271 264 P C -2.673 174.697 177.300 0.118 0.000 1.233 264 P CA -0.952 62.059 63.100 -0.148 0.000 0.789 264 P CB -0.281 31.140 31.700 -0.465 0.000 0.951 265 P HA 0.041 nan 4.420 nan 0.000 0.274 265 P C 0.196 177.525 177.300 0.048 0.000 1.231 265 P CA -0.060 62.991 63.100 -0.082 0.000 0.790 265 P CB 0.740 32.172 31.700 -0.446 0.000 0.951 266 A N 4.098 126.975 122.820 0.095 0.000 1.892 266 A HA -0.187 4.133 4.320 0.000 0.000 0.218 266 A C 2.086 179.841 177.584 0.285 0.000 1.188 266 A CA 1.982 54.096 52.037 0.130 0.000 0.631 266 A CB -2.026 16.909 19.000 -0.108 0.000 0.822 266 A HN 0.847 nan 8.150 nan 0.000 0.447 267 W N 0.993 122.402 121.300 0.180 0.000 2.331 267 W HA -0.213 4.447 4.660 0.000 0.000 0.291 267 W C 1.874 178.489 176.519 0.159 0.000 1.214 267 W CA 1.556 58.974 57.345 0.122 0.000 1.228 267 W CB -1.479 28.005 29.460 0.041 0.000 1.135 267 W HN 0.552 nan 8.180 nan 0.000 0.537 268 S N 0.428 115.993 115.700 -0.226 0.000 2.474 268 S HA -0.164 4.306 4.470 0.000 0.000 0.235 268 S C 1.344 176.036 174.600 0.153 0.000 0.997 268 S CA 0.692 58.870 58.200 -0.037 0.000 0.949 268 S CB -1.354 61.602 63.200 -0.407 0.000 0.766 268 S HN 0.186 nan 8.310 nan 0.000 0.517 269 F N 2.541 122.550 119.950 0.099 0.000 2.811 269 F HA 0.358 4.885 4.527 0.000 0.000 0.301 269 F C 1.917 177.755 175.800 0.064 0.000 1.151 269 F CA -0.192 57.783 58.000 -0.042 0.000 1.412 269 F CB -0.611 38.359 39.000 -0.050 0.000 1.113 269 F HN 0.325 nan 8.300 nan 0.000 0.579 270 G N 0.060 109.012 108.800 0.252 0.000 2.489 270 G HA2 0.313 4.273 3.960 0.000 0.000 0.271 270 G HA3 0.313 4.273 3.960 0.000 0.000 0.271 270 G C -1.034 174.116 174.900 0.417 0.000 1.427 270 G CA -0.516 44.631 45.100 0.078 0.000 1.057 270 G HN 0.006 nan 8.290 nan 0.000 0.532 271 L N -0.644 120.946 121.223 0.611 0.000 2.292 271 L HA 0.590 4.930 4.340 0.000 0.000 0.284 271 L C -1.302 175.817 176.870 0.416 0.000 1.065 271 L CA -0.993 54.139 54.840 0.487 0.000 0.806 271 L CB 0.830 43.107 42.059 0.363 0.000 1.175 271 L HN 0.424 nan 8.230 nan 0.000 0.431 272 W N 6.170 127.500 121.300 0.050 0.000 2.433 272 W HA 0.572 5.232 4.660 0.000 0.000 0.315 272 W C -0.798 175.658 176.519 -0.105 0.000 1.087 272 W CA -0.558 56.750 57.345 -0.062 0.000 1.205 272 W CB 1.320 30.654 29.460 -0.210 0.000 1.288 272 W HN 0.313 nan 8.180 nan 0.000 0.504 273 L N 3.132 124.384 121.223 0.048 0.000 2.365 273 L HA 0.755 5.095 4.340 0.000 0.000 0.273 273 L C -0.184 176.542 176.870 -0.241 0.000 1.000 273 L CA -0.120 54.713 54.840 -0.011 0.000 0.819 273 L CB 1.867 43.994 42.059 0.114 0.000 1.284 273 L HN 0.299 nan 8.230 nan 0.000 0.418 274 T N 1.437 115.899 114.554 -0.154 0.000 2.932 274 T HA 0.334 4.684 4.350 0.000 0.000 0.289 274 T C 1.010 175.666 174.700 -0.072 0.000 1.039 274 T CA 0.263 62.255 62.100 -0.180 0.000 1.024 274 T CB 1.633 70.633 68.868 0.221 0.000 1.090 274 T HN 0.782 nan 8.240 nan 0.000 0.496 275 T N -0.566 113.894 114.554 -0.158 0.000 3.085 275 T HA 0.215 4.565 4.350 0.000 0.000 0.263 275 T C 0.693 175.369 174.700 -0.039 0.000 1.127 275 T CA 0.238 62.292 62.100 -0.076 0.000 1.103 275 T CB -0.192 68.225 68.868 -0.751 0.000 0.921 275 T HN 0.618 nan 8.240 nan 0.000 0.510 276 S N -0.691 114.996 115.700 -0.022 0.000 3.900 276 S HA -0.118 4.352 4.470 0.000 0.000 0.700 276 S C -0.175 174.491 174.600 0.110 0.000 1.109 276 S CA -0.091 58.055 58.200 -0.091 0.000 1.200 276 S CB -1.447 61.692 63.200 -0.103 0.000 0.475 276 S HN 0.376 nan 8.310 nan 0.000 0.721 277 F N 2.244 122.125 119.950 -0.114 0.000 2.012 277 F HA 0.100 4.627 4.527 0.000 0.000 0.289 277 F C 2.594 178.634 175.800 0.399 0.000 1.185 277 F CA 2.384 60.489 58.000 0.174 0.000 1.149 277 F CB -1.174 37.887 39.000 0.101 0.000 0.994 277 F HN 0.772 nan 8.300 nan 0.000 0.481 278 T N -1.233 113.205 114.554 -0.194 0.000 3.163 278 T HA 0.188 4.538 4.350 0.000 0.000 0.252 278 T C 0.608 175.156 174.700 -0.254 0.000 1.056 278 T CA 0.243 62.154 62.100 -0.316 0.000 0.947 278 T CB -1.690 66.937 68.868 -0.402 0.000 1.016 278 T HN 0.404 nan 8.240 nan 0.000 0.554 279 T N 0.511 115.009 114.554 -0.094 0.000 2.813 279 T HA 0.277 4.627 4.350 0.000 0.000 0.297 279 T C 0.059 174.786 174.700 0.046 0.000 1.036 279 T CA -0.817 61.198 62.100 -0.143 0.000 1.044 279 T CB 0.251 68.904 68.868 -0.359 0.000 0.993 279 T HN 0.363 nan 8.240 nan 0.000 0.535 280 N N 1.157 119.895 118.700 0.062 0.000 2.529 280 N HA 0.518 5.258 4.740 0.000 0.000 0.278 280 N C -1.245 174.472 175.510 0.346 0.000 1.146 280 N CA -0.572 52.501 53.050 0.040 0.000 0.980 280 N CB 0.448 38.937 38.487 0.003 0.000 1.124 280 N HN 0.811 nan 8.380 nan 0.000 0.458 281 Y N -0.960 119.360 120.300 0.033 0.000 2.522 281 Y HA 0.360 4.910 4.550 0.000 0.000 0.326 281 Y C -1.934 173.964 175.900 -0.003 0.000 1.198 281 Y CA -1.260 56.891 58.100 0.085 0.000 1.112 281 Y CB 0.911 39.532 38.460 0.270 0.000 1.342 281 Y HN 0.437 nan 8.280 nan 0.000 0.460 282 D N 1.070 121.500 120.400 0.051 0.000 2.812 282 D HA 0.146 4.786 4.640 0.000 0.000 0.318 282 D C 0.294 176.566 176.300 -0.046 0.000 1.234 282 D CA -0.623 53.135 54.000 -0.403 0.000 0.989 282 D CB 1.545 42.130 40.800 -0.357 0.000 1.442 282 D HN 0.780 nan 8.370 nan 0.000 0.537 283 E N -0.103 120.037 120.200 -0.100 0.000 2.219 283 E HA -0.199 4.151 4.350 0.000 0.000 0.198 283 E C 1.752 178.415 176.600 0.106 0.000 0.998 283 E CA 1.554 58.117 56.400 0.271 0.000 0.818 283 E CB -0.117 29.703 29.700 0.201 0.000 0.741 283 E HN 0.464 nan 8.360 nan 0.000 0.477 284 A N 0.081 122.901 122.820 -0.001 0.000 1.840 284 A HA -0.125 4.195 4.320 0.000 0.000 0.214 284 A C 2.399 179.925 177.584 -0.097 0.000 1.198 284 A CA 1.801 53.809 52.037 -0.048 0.000 0.608 284 A CB -0.945 18.015 19.000 -0.067 0.000 0.839 284 A HN 0.314 nan 8.150 nan 0.000 0.443 285 T N -0.075 114.403 114.554 -0.127 0.000 2.849 285 T HA -0.115 4.235 4.350 0.000 0.000 0.270 285 T C 1.814 176.251 174.700 -0.439 0.000 1.066 285 T CA 1.464 63.368 62.100 -0.325 0.000 1.130 285 T CB -0.378 68.324 68.868 -0.277 0.000 0.864 285 T HN 0.148 nan 8.240 nan 0.000 0.481 286 V N 2.396 122.227 119.914 -0.139 0.000 2.270 286 V HA -0.159 3.961 4.120 0.000 0.000 0.245 286 V C 2.420 178.356 176.094 -0.263 0.000 1.043 286 V CA 1.475 63.664 62.300 -0.186 0.000 1.014 286 V CB -0.480 31.356 31.823 0.021 0.000 0.645 286 V HN 0.492 nan 8.190 nan 0.000 0.447 287 N N 0.014 118.620 118.700 -0.156 0.000 2.223 287 N HA -0.153 4.587 4.740 0.000 0.000 0.185 287 N C 2.141 177.593 175.510 -0.097 0.000 1.016 287 N CA 1.650 54.622 53.050 -0.129 0.000 0.863 287 N CB -0.372 38.064 38.487 -0.084 0.000 0.983 287 N HN 0.491 nan 8.380 nan 0.000 0.429 288 S N 0.729 116.355 115.700 -0.123 0.000 2.359 288 S HA -0.130 4.340 4.470 0.000 0.000 0.222 288 S C 1.806 176.488 174.600 0.137 0.000 1.038 288 S CA 1.006 59.166 58.200 -0.067 0.000 1.051 288 S CB -0.317 62.775 63.200 -0.180 0.000 0.944 288 S HN 0.140 nan 8.310 nan 0.000 0.433 289 F N 1.685 121.658 119.950 0.037 0.000 2.095 289 F HA 0.033 4.560 4.527 0.000 0.000 0.298 289 F C 2.362 178.235 175.800 0.122 0.000 1.104 289 F CA 0.330 58.430 58.000 0.166 0.000 1.232 289 F CB -1.271 37.776 39.000 0.079 0.000 0.987 289 F HN 0.243 nan 8.300 nan 0.000 0.475 290 I N -0.004 120.645 120.570 0.131 0.000 2.163 290 I HA -0.314 3.856 4.170 0.000 0.000 0.243 290 I C 2.071 178.198 176.117 0.018 0.000 1.085 290 I CA 1.657 62.959 61.300 0.003 0.000 1.347 290 I CB -0.489 37.408 38.000 -0.172 0.000 1.044 290 I HN 0.075 nan 8.210 nan 0.000 0.408 291 D N 0.782 121.177 120.400 -0.009 0.000 2.144 291 D HA -0.107 4.533 4.640 0.000 0.000 0.200 291 D C 2.164 178.425 176.300 -0.065 0.000 0.978 291 D CA 1.466 55.440 54.000 -0.043 0.000 0.833 291 D CB -0.493 40.269 40.800 -0.063 0.000 0.961 291 D HN 0.407 nan 8.370 nan 0.000 0.470 292 G N 0.910 109.676 108.800 -0.056 0.000 2.422 292 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 292 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 292 G C 1.598 176.337 174.900 -0.267 0.000 1.146 292 G CA 0.515 45.418 45.100 -0.328 0.000 0.769 292 G HN 0.111 nan 8.290 nan 0.000 0.547 293 M N 1.050 120.726 119.600 0.126 0.000 2.099 293 M HA 0.063 4.543 4.480 0.000 0.000 0.262 293 M C 3.070 179.405 176.300 0.057 0.000 1.067 293 M CA 1.390 56.819 55.300 0.215 0.000 1.124 293 M CB -1.207 31.526 32.600 0.222 0.000 1.353 293 M HN 0.313 nan 8.290 nan 0.000 0.410 294 A N 0.251 123.074 122.820 0.005 0.000 1.933 294 A HA -0.158 4.162 4.320 0.000 0.000 0.218 294 A C 1.898 179.456 177.584 -0.043 0.000 1.175 294 A CA 1.506 53.528 52.037 -0.025 0.000 0.628 294 A CB -0.710 18.265 19.000 -0.041 0.000 0.814 294 A HN 0.614 nan 8.150 nan 0.000 0.444 295 E N -0.930 119.223 120.200 -0.078 0.000 2.511 295 E HA -0.006 4.344 4.350 0.000 0.000 0.196 295 E C 1.111 177.654 176.600 -0.094 0.000 1.066 295 E CA 0.183 56.525 56.400 -0.097 0.000 0.871 295 E CB 0.044 29.662 29.700 -0.136 0.000 0.863 295 E HN 0.506 nan 8.360 nan 0.000 0.520 296 R N 0.375 120.835 120.500 -0.067 0.000 2.508 296 R HA 0.143 4.483 4.340 0.000 0.000 0.300 296 R C -0.089 176.229 176.300 0.029 0.000 0.970 296 R CA -0.145 55.941 56.100 -0.023 0.000 1.102 296 R CB 0.477 30.776 30.300 -0.002 0.000 1.246 296 R HN 0.014 nan 8.270 nan 0.000 0.539 297 N N 1.030 119.739 118.700 0.015 0.000 2.747 297 N HA -0.180 4.560 4.740 0.000 0.000 0.249 297 N C -0.893 174.647 175.510 0.050 0.000 1.107 297 N CA 0.860 53.924 53.050 0.023 0.000 0.707 297 N CB -1.106 37.393 38.487 0.020 0.000 1.054 297 N HN 0.286 nan 8.380 nan 0.000 0.555 298 L N 1.205 122.472 121.223 0.075 0.000 2.270 298 L HA 0.330 4.670 4.340 0.000 0.000 0.286 298 L C -1.885 175.019 176.870 0.055 0.000 1.059 298 L CA -1.457 53.445 54.840 0.104 0.000 0.839 298 L CB 0.698 42.865 42.059 0.179 0.000 1.221 298 L HN -0.272 nan 8.230 nan 0.000 0.431 299 P HA 0.011 nan 4.420 nan 0.000 0.265 299 P C -0.932 176.254 177.300 -0.190 0.000 1.187 299 P CA 0.094 63.156 63.100 -0.063 0.000 0.766 299 P CB 0.637 32.382 31.700 0.074 0.000 0.820 300 L N 3.991 124.945 121.223 -0.449 0.000 2.464 300 L HA 0.297 4.637 4.340 0.000 0.000 0.266 300 L C -0.150 176.336 176.870 -0.641 0.000 0.965 300 L CA -0.380 54.231 54.840 -0.381 0.000 0.833 300 L CB 1.567 43.558 42.059 -0.113 0.000 1.296 300 L HN 0.520 nan 8.230 nan 0.000 0.405 301 H N 2.961 122.038 119.070 0.012 0.000 2.927 301 H HA 0.420 4.976 4.556 0.000 0.000 0.255 301 H C -0.295 174.930 175.328 -0.173 0.000 0.974 301 H CA -0.026 56.001 56.048 -0.034 0.000 1.199 301 H CB 1.200 30.998 29.762 0.060 0.000 1.447 301 H HN 0.197 nan 8.280 nan 0.000 0.467 302 V N 1.184 120.980 119.914 -0.196 0.000 2.686 302 V HA 0.229 4.349 4.120 0.000 0.000 0.306 302 V C -1.504 174.408 176.094 -0.304 0.000 1.065 302 V CA -0.942 61.078 62.300 -0.466 0.000 0.894 302 V CB 2.471 33.548 31.823 -1.244 0.000 1.004 302 V HN 0.100 nan 8.190 nan 0.000 0.424 303 F N 3.670 123.399 119.950 -0.369 0.000 2.469 303 F HA 0.712 5.239 4.527 0.000 0.000 0.332 303 F C -0.311 175.301 175.800 -0.313 0.000 1.103 303 F CA -0.480 57.335 58.000 -0.308 0.000 0.979 303 F CB 1.400 40.199 39.000 -0.336 0.000 1.137 303 F HN 0.695 nan 8.300 nan 0.000 0.463 304 H N 5.190 123.481 119.070 -1.297 0.000 2.505 304 H HA 0.441 4.997 4.556 0.000 0.000 0.338 304 H C -1.667 173.139 175.328 -0.871 0.000 1.057 304 H CA -0.701 54.860 56.048 -0.812 0.000 1.202 304 H CB 0.735 30.205 29.762 -0.486 0.000 1.466 304 H HN 0.455 nan 8.280 nan 0.000 0.499 305 F N 3.986 123.403 119.950 -0.888 0.000 2.404 305 F HA 0.178 4.705 4.527 0.000 0.000 0.358 305 F C 0.731 176.237 175.800 -0.490 0.000 1.120 305 F CA -0.378 57.330 58.000 -0.487 0.000 1.144 305 F CB 0.652 39.437 39.000 -0.359 0.000 1.133 305 F HN 0.659 nan 8.300 nan 0.000 0.495 306 D N 1.218 121.670 120.400 0.086 0.000 2.425 306 D HA 0.141 4.781 4.640 0.000 0.000 0.274 306 D C 1.238 177.765 176.300 0.378 0.000 1.242 306 D CA -0.323 53.883 54.000 0.343 0.000 1.060 306 D CB 0.790 41.875 40.800 0.475 0.000 1.112 306 D HN 0.578 nan 8.370 nan 0.000 0.561 307 C N -0.385 118.764 119.300 -0.252 0.000 2.353 307 C HA -0.236 4.224 4.460 0.000 0.000 0.272 307 C C 2.383 176.857 174.990 -0.861 0.000 1.165 307 C CA 0.610 58.878 59.018 -1.249 0.000 1.786 307 C CB -1.407 25.100 27.740 -2.054 0.000 2.071 307 C HN 0.525 nan 8.230 nan 0.000 0.451 308 F N 1.562 121.475 119.950 -0.062 0.000 2.788 308 F HA -0.040 4.487 4.527 0.000 0.000 0.300 308 F C 2.023 177.979 175.800 0.260 0.000 1.229 308 F CA 0.389 58.429 58.000 0.066 0.000 1.446 308 F CB -0.863 38.029 39.000 -0.179 0.000 1.118 308 F HN 0.621 nan 8.300 nan 0.000 0.579 309 W N -0.984 120.488 121.300 0.285 0.000 2.800 309 W HA 0.202 4.862 4.660 0.000 0.000 0.249 309 W C -0.007 176.584 176.519 0.120 0.000 1.294 309 W CA 0.074 57.565 57.345 0.243 0.000 1.402 309 W CB -0.678 28.619 29.460 -0.272 0.000 1.126 309 W HN -0.005 nan 8.180 nan 0.000 0.652 310 M N 1.221 120.616 119.600 -0.341 0.000 2.705 310 M HA 0.314 4.794 4.480 0.000 0.000 0.311 310 M C 0.152 176.484 176.300 0.054 0.000 1.214 310 M CA -0.770 54.340 55.300 -0.316 0.000 0.920 310 M CB 2.461 34.704 32.600 -0.596 0.000 1.687 310 M HN -0.389 nan 8.290 nan 0.000 0.481 311 K N 1.058 121.489 120.400 0.052 0.000 2.382 311 K HA 0.383 4.703 4.320 0.000 0.000 0.275 311 K C -0.222 176.284 176.600 -0.158 0.000 1.009 311 K CA -0.386 55.915 56.287 0.023 0.000 0.970 311 K CB 0.588 33.099 32.500 0.018 0.000 0.934 311 K HN 0.721 nan 8.250 nan 0.000 0.479 312 A N 2.357 124.995 122.820 -0.303 0.000 2.531 312 A HA 0.135 4.455 4.320 0.000 0.000 0.236 312 A C 0.014 177.082 177.584 -0.860 0.000 1.062 312 A CA 0.044 51.544 52.037 -0.895 0.000 0.760 312 A CB -0.584 17.896 19.000 -0.866 0.000 0.995 312 A HN 0.767 nan 8.150 nan 0.000 0.501 313 F N -1.275 118.081 119.950 -0.990 0.000 2.748 313 F HA -0.254 4.273 4.527 0.000 0.000 0.370 313 F C 1.314 176.853 175.800 -0.434 0.000 0.620 313 F CA 1.733 59.336 58.000 -0.662 0.000 1.233 313 F CB -1.924 36.825 39.000 -0.417 0.000 1.708 313 F HN 0.749 nan 8.300 nan 0.000 0.298 314 Q N -1.620 118.012 119.800 -0.280 0.000 2.171 314 Q HA 0.052 4.392 4.340 0.000 0.000 0.218 314 Q C -0.171 175.889 176.000 0.099 0.000 0.822 314 Q CA -0.396 55.386 55.803 -0.035 0.000 0.987 314 Q CB 0.316 29.058 28.738 0.007 0.000 1.144 314 Q HN 0.300 nan 8.270 nan 0.000 0.494 315 W N 1.108 122.367 121.300 -0.070 0.000 2.589 315 W HA -0.124 4.536 4.660 0.000 0.000 0.350 315 W C 0.603 177.234 176.519 0.186 0.000 1.201 315 W CA -0.218 57.133 57.345 0.009 0.000 1.225 315 W CB -0.558 28.893 29.460 -0.015 0.000 1.226 315 W HN 0.264 nan 8.180 nan 0.000 0.578 316 C N 4.209 123.688 119.300 0.298 0.000 4.617 316 C HA -0.248 4.212 4.460 0.000 0.000 0.314 316 C C 1.039 175.962 174.990 -0.111 0.000 1.194 316 C CA 0.518 59.499 59.018 -0.061 0.000 2.250 316 C CB -2.171 25.584 27.740 0.026 0.000 1.219 316 C HN 0.721 nan 8.230 nan 0.000 0.723 317 D N -1.037 119.340 120.400 -0.038 0.000 2.433 317 D HA 0.295 4.935 4.640 0.000 0.000 0.211 317 D C 0.761 177.227 176.300 0.278 0.000 1.114 317 D CA -0.163 53.994 54.000 0.261 0.000 0.837 317 D CB -0.289 40.678 40.800 0.278 0.000 0.984 317 D HN 0.498 nan 8.370 nan 0.000 0.505 318 F N 0.505 120.503 119.950 0.080 0.000 3.074 318 F HA -0.202 4.325 4.527 0.000 0.000 0.289 318 F C -0.359 175.464 175.800 0.040 0.000 0.863 318 F CA 0.377 58.388 58.000 0.019 0.000 1.121 318 F CB -2.013 37.012 39.000 0.042 0.000 1.169 318 F HN 0.003 nan 8.300 nan 0.000 0.570 319 E N -0.087 120.147 120.200 0.056 0.000 2.113 319 E HA 0.196 4.546 4.350 0.000 0.000 0.273 319 E C -0.380 176.295 176.600 0.124 0.000 0.924 319 E CA -0.699 55.800 56.400 0.165 0.000 0.764 319 E CB 0.590 30.390 29.700 0.168 0.000 1.104 319 E HN 0.245 nan 8.360 nan 0.000 0.406 320 W N 1.986 123.455 121.300 0.282 0.000 2.251 320 W HA -0.006 4.654 4.660 0.000 0.000 0.327 320 W C 1.042 177.710 176.519 0.249 0.000 1.361 320 W CA -0.003 57.551 57.345 0.349 0.000 1.234 320 W CB 0.429 30.094 29.460 0.341 0.000 1.212 320 W HN 0.303 nan 8.180 nan 0.000 0.557 321 D N 5.531 126.232 120.400 0.503 0.000 2.348 321 D HA 0.028 4.668 4.640 0.000 0.000 0.259 321 D C -1.409 175.081 176.300 0.317 0.000 1.296 321 D CA -1.551 52.649 54.000 0.334 0.000 0.931 321 D CB 1.065 42.038 40.800 0.289 0.000 1.067 321 D HN 0.079 nan 8.370 nan 0.000 0.503 322 P HA -0.138 nan 4.420 nan 0.000 0.218 322 P C 1.518 178.876 177.300 0.096 0.000 1.146 322 P CA 0.897 64.095 63.100 0.164 0.000 0.813 322 P CB 0.236 32.010 31.700 0.124 0.000 0.778 323 L N -2.213 119.051 121.223 0.068 0.000 2.179 323 L HA -0.070 4.270 4.340 0.000 0.000 0.208 323 L C 2.042 178.878 176.870 -0.057 0.000 1.096 323 L CA 1.417 56.261 54.840 0.006 0.000 0.779 323 L CB -1.073 40.984 42.059 -0.003 0.000 0.922 323 L HN 0.013 nan 8.230 nan 0.000 0.443 324 T N -1.233 113.274 114.554 -0.078 0.000 3.033 324 T HA 0.112 4.462 4.350 0.000 0.000 0.248 324 T C 0.098 174.449 174.700 -0.581 0.000 1.040 324 T CA 0.604 62.494 62.100 -0.349 0.000 1.133 324 T CB 0.133 68.773 68.868 -0.380 0.000 0.895 324 T HN -0.037 nan 8.240 nan 0.000 0.465 325 F N 0.997 121.050 119.950 0.171 0.000 2.660 325 F HA 0.401 4.928 4.527 0.000 0.000 0.352 325 F C -2.204 173.616 175.800 0.034 0.000 1.257 325 F CA -2.669 55.403 58.000 0.120 0.000 1.200 325 F CB 1.420 40.556 39.000 0.226 0.000 1.473 325 F HN -0.073 nan 8.300 nan 0.000 0.561 326 P HA -0.189 nan 4.420 nan 0.000 0.216 326 P C 0.035 177.336 177.300 0.002 0.000 1.154 326 P CA 1.608 64.738 63.100 0.050 0.000 0.865 326 P CB 0.280 31.991 31.700 0.017 0.000 0.789 327 D N -2.995 117.379 120.400 -0.044 0.000 2.375 327 D HA 0.180 4.820 4.640 0.000 0.000 0.259 327 D C -2.066 174.064 176.300 -0.283 0.000 1.235 327 D CA -2.319 51.601 54.000 -0.133 0.000 0.924 327 D CB 0.568 41.312 40.800 -0.094 0.000 1.143 327 D HN -0.153 nan 8.370 nan 0.000 0.529 328 P HA -0.141 nan 4.420 nan 0.000 0.214 328 P C 1.123 178.025 177.300 -0.664 0.000 1.163 328 P CA 0.942 63.400 63.100 -1.071 0.000 0.883 328 P CB 0.400 30.990 31.700 -1.850 0.000 0.788 329 E N -0.867 119.078 120.200 -0.425 0.000 2.106 329 E HA -0.109 4.241 4.350 0.000 0.000 0.192 329 E C 2.189 178.671 176.600 -0.198 0.000 0.984 329 E CA 1.169 57.412 56.400 -0.262 0.000 0.806 329 E CB -0.794 28.800 29.700 -0.175 0.000 0.750 329 E HN 0.147 nan 8.360 nan 0.000 0.458 330 G N 1.298 109.991 108.800 -0.179 0.000 2.421 330 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 330 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 330 G C 1.543 176.371 174.900 -0.120 0.000 1.171 330 G CA 0.900 45.924 45.100 -0.126 0.000 0.775 330 G HN 0.274 nan 8.290 nan 0.000 0.543 331 M N 0.045 119.560 119.600 -0.143 0.000 2.086 331 M HA -0.006 4.474 4.480 0.000 0.000 0.261 331 M C 2.468 178.715 176.300 -0.087 0.000 1.067 331 M CA 1.531 56.774 55.300 -0.095 0.000 1.116 331 M CB -0.249 32.300 32.600 -0.085 0.000 1.348 331 M HN 0.241 nan 8.290 nan 0.000 0.407 332 I N 0.010 120.491 120.570 -0.148 0.000 2.226 332 I HA -0.285 3.885 4.170 0.000 0.000 0.245 332 I C 2.439 178.499 176.117 -0.094 0.000 1.100 332 I CA 0.947 62.187 61.300 -0.099 0.000 1.374 332 I CB -0.546 37.364 38.000 -0.151 0.000 1.057 332 I HN 0.309 nan 8.210 nan 0.000 0.413 333 R N 0.471 120.906 120.500 -0.109 0.000 2.120 333 R HA -0.130 4.210 4.340 0.000 0.000 0.234 333 R C 2.186 178.433 176.300 -0.088 0.000 1.123 333 R CA 0.994 57.036 56.100 -0.098 0.000 0.975 333 R CB -0.811 29.432 30.300 -0.094 0.000 0.866 333 R HN 0.422 nan 8.270 nan 0.000 0.446 334 R N 0.859 121.310 120.500 -0.081 0.000 2.064 334 R HA -0.024 4.316 4.340 0.000 0.000 0.228 334 R C 2.403 178.654 176.300 -0.082 0.000 1.144 334 R CA 1.179 57.235 56.100 -0.075 0.000 0.932 334 R CB -0.342 29.919 30.300 -0.066 0.000 0.833 334 R HN 0.099 nan 8.270 nan 0.000 0.429 335 L N 1.149 122.323 121.223 -0.081 0.000 2.043 335 L HA -0.244 4.096 4.340 0.000 0.000 0.212 335 L C 2.798 179.603 176.870 -0.107 0.000 1.075 335 L CA 1.787 56.569 54.840 -0.098 0.000 0.752 335 L CB -0.683 41.325 42.059 -0.086 0.000 0.891 335 L HN 0.355 nan 8.230 nan 0.000 0.432 336 K N 0.616 120.951 120.400 -0.107 0.000 2.103 336 K HA -0.203 4.117 4.320 0.000 0.000 0.207 336 K C 2.144 178.674 176.600 -0.117 0.000 1.048 336 K CA 1.373 57.582 56.287 -0.130 0.000 0.930 336 K CB -0.057 32.365 32.500 -0.131 0.000 0.716 336 K HN 0.278 nan 8.250 nan 0.000 0.444 337 A N 1.640 124.402 122.820 -0.098 0.000 1.940 337 A HA -0.157 4.163 4.320 0.000 0.000 0.219 337 A C 1.621 179.155 177.584 -0.084 0.000 1.176 337 A CA 1.566 53.552 52.037 -0.086 0.000 0.631 337 A CB -0.305 18.650 19.000 -0.075 0.000 0.814 337 A HN 0.338 nan 8.150 nan 0.000 0.446 338 K N -1.003 119.344 120.400 -0.089 0.000 2.569 338 K HA 0.195 4.515 4.320 0.000 0.000 0.193 338 K C 1.056 177.602 176.600 -0.090 0.000 1.026 338 K CA 0.427 56.663 56.287 -0.085 0.000 1.093 338 K CB -0.317 32.129 32.500 -0.090 0.000 0.849 338 K HN 0.690 nan 8.250 nan 0.000 0.509 339 G N 1.254 109.994 108.800 -0.100 0.000 2.179 339 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 339 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 339 G C 0.168 174.988 174.900 -0.134 0.000 0.977 339 G CA -0.102 44.935 45.100 -0.105 0.000 0.641 339 G HN 0.210 nan 8.290 nan 0.000 0.533 340 L N 0.183 121.318 121.223 -0.146 0.000 2.453 340 L HA 0.466 4.806 4.340 0.000 0.000 0.261 340 L C 0.684 177.396 176.870 -0.263 0.000 1.179 340 L CA -0.476 54.260 54.840 -0.173 0.000 0.813 340 L CB 0.632 42.609 42.059 -0.137 0.000 1.110 340 L HN -0.087 nan 8.230 nan 0.000 0.466 341 K N 2.343 122.530 120.400 -0.355 0.000 2.123 341 K HA 0.556 4.876 4.320 0.000 0.000 0.259 341 K C -0.710 175.657 176.600 -0.389 0.000 0.960 341 K CA -0.669 55.289 56.287 -0.548 0.000 0.872 341 K CB 2.118 34.028 32.500 -0.983 0.000 1.079 341 K HN 0.297 nan 8.250 nan 0.000 0.440 342 I N 1.384 121.750 120.570 -0.341 0.000 2.433 342 I HA 0.249 4.419 4.170 0.000 0.000 0.292 342 I C -0.015 175.971 176.117 -0.217 0.000 1.001 342 I CA -0.798 60.386 61.300 -0.192 0.000 1.119 342 I CB 1.424 39.392 38.000 -0.054 0.000 1.289 342 I HN 0.495 nan 8.210 nan 0.000 0.438 343 C N 7.651 126.855 119.300 -0.160 0.000 2.507 343 C HA 0.865 5.325 4.460 0.000 0.000 0.319 343 C C -0.277 174.708 174.990 -0.008 0.000 1.208 343 C CA -0.212 58.762 59.018 -0.074 0.000 1.619 343 C CB 0.910 28.697 27.740 0.078 0.000 2.230 343 C HN 0.648 nan 8.230 nan 0.000 0.492 344 V N 2.749 122.663 119.914 -0.001 0.000 2.876 344 V HA 0.673 4.793 4.120 0.000 0.000 0.312 344 V C -0.612 175.710 176.094 0.379 0.000 1.085 344 V CA -0.889 61.377 62.300 -0.056 0.000 0.945 344 V CB 1.308 32.842 31.823 -0.481 0.000 1.017 344 V HN 1.104 nan 8.190 nan 0.000 0.428 345 W N 5.398 126.888 121.300 0.317 0.000 2.150 345 W HA 0.706 5.366 4.660 0.000 0.000 0.341 345 W C -0.212 176.655 176.519 0.581 0.000 1.276 345 W CA 0.366 58.023 57.345 0.519 0.000 1.238 345 W CB 0.705 30.437 29.460 0.454 0.000 1.128 345 W HN 0.922 nan 8.180 nan 0.000 0.581 346 I N 3.235 123.579 120.570 -0.376 0.000 3.021 346 I HA 0.561 4.731 4.170 0.000 0.000 0.305 346 I C -1.419 174.138 176.117 -0.933 0.000 1.434 346 I CA -1.167 59.849 61.300 -0.472 0.000 0.969 346 I CB 1.996 40.034 38.000 0.064 0.000 1.328 346 I HN 0.641 nan 8.210 nan 0.000 0.486 347 N N 1.925 120.309 118.700 -0.527 0.000 2.927 347 N HA 0.505 5.245 4.740 0.000 0.000 0.248 347 N C -2.918 172.513 175.510 -0.132 0.000 1.443 347 N CA -1.630 51.230 53.050 -0.316 0.000 0.870 347 N CB 1.768 39.996 38.487 -0.432 0.000 1.444 347 N HN 0.454 nan 8.380 nan 0.000 0.519 348 P HA 0.208 nan 4.420 nan 0.000 0.253 348 P C -0.942 176.586 177.300 0.380 0.000 1.459 348 P CA 0.393 63.413 63.100 -0.134 0.000 0.908 348 P CB -0.318 31.138 31.700 -0.407 0.000 1.470 349 Y N 0.053 120.584 120.300 0.385 0.000 2.621 349 Y HA 0.649 5.199 4.550 0.000 0.000 0.334 349 Y C 0.465 176.581 175.900 0.360 0.000 1.074 349 Y CA -2.551 55.743 58.100 0.324 0.000 1.149 349 Y CB 1.198 39.871 38.460 0.355 0.000 1.302 349 Y HN -0.254 nan 8.280 nan 0.000 0.501 350 I N 0.479 121.293 120.570 0.406 0.000 2.649 350 I HA 0.620 4.790 4.170 0.000 0.000 0.289 350 I C -0.246 176.094 176.117 0.372 0.000 1.222 350 I CA -0.496 61.006 61.300 0.337 0.000 1.046 350 I CB 1.585 39.656 38.000 0.118 0.000 1.272 350 I HN 0.749 nan 8.210 nan 0.000 0.425 351 G N 4.309 113.285 108.800 0.295 0.000 2.527 351 G HA2 0.116 4.077 3.960 0.000 0.000 0.248 351 G HA3 0.116 4.077 3.960 0.000 0.000 0.248 351 G C 0.261 175.186 174.900 0.042 0.000 1.231 351 G CA -0.201 44.983 45.100 0.140 0.000 0.838 351 G HN 0.843 nan 8.290 nan 0.000 0.570 352 Q N 0.829 120.419 119.800 -0.350 0.000 2.167 352 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 352 Q C 2.233 177.951 176.000 -0.470 0.000 0.970 352 Q CA 1.400 56.597 55.803 -1.011 0.000 0.855 352 Q CB -0.083 28.075 28.738 -0.967 0.000 0.911 352 Q HN 0.688 nan 8.270 nan 0.000 0.438 353 K N 0.345 120.602 120.400 -0.239 0.000 2.360 353 K HA -0.071 4.249 4.320 0.000 0.000 0.201 353 K C 0.434 177.020 176.600 -0.023 0.000 1.046 353 K CA 0.640 56.854 56.287 -0.123 0.000 0.940 353 K CB -0.060 32.395 32.500 -0.076 0.000 0.748 353 K HN 0.044 nan 8.250 nan 0.000 0.465 354 S N 0.837 116.561 115.700 0.041 0.000 2.531 354 S HA 0.136 4.606 4.470 0.000 0.000 0.279 354 S C -1.941 172.759 174.600 0.166 0.000 1.305 354 S CA -1.521 56.756 58.200 0.129 0.000 1.058 354 S CB 1.116 64.437 63.200 0.201 0.000 0.899 354 S HN 0.042 nan 8.310 nan 0.000 0.493 355 P HA -0.063 nan 4.420 nan 0.000 0.223 355 P C 1.121 178.538 177.300 0.195 0.000 1.144 355 P CA 0.535 63.726 63.100 0.152 0.000 0.783 355 P CB 0.117 31.900 31.700 0.138 0.000 0.771 356 V N -1.639 118.423 119.914 0.248 0.000 2.591 356 V HA -0.171 3.949 4.120 0.000 0.000 0.249 356 V C 1.986 178.192 176.094 0.187 0.000 1.053 356 V CA 1.046 63.512 62.300 0.278 0.000 1.068 356 V CB -1.205 30.871 31.823 0.420 0.000 0.689 356 V HN 0.040 nan 8.190 nan 0.000 0.462 357 F N 1.612 121.596 119.950 0.057 0.000 2.063 357 F HA -0.323 4.205 4.527 0.000 0.000 0.298 357 F C 2.513 178.289 175.800 -0.039 0.000 1.109 357 F CA 2.564 60.558 58.000 -0.010 0.000 1.212 357 F CB -0.210 38.786 39.000 -0.007 0.000 0.973 357 F HN 0.009 nan 8.300 nan 0.000 0.480 358 K N 0.197 120.755 120.400 0.263 0.000 2.063 358 K HA -0.277 4.043 4.320 0.000 0.000 0.208 358 K C 2.257 178.850 176.600 -0.011 0.000 1.048 358 K CA 1.834 58.203 56.287 0.137 0.000 0.928 358 K CB -0.406 32.170 32.500 0.128 0.000 0.713 358 K HN 0.536 nan 8.250 nan 0.000 0.442 359 E N 0.566 120.761 120.200 -0.008 0.000 2.077 359 E HA -0.204 4.146 4.350 0.000 0.000 0.193 359 E C 2.006 178.478 176.600 -0.213 0.000 0.989 359 E CA 1.043 57.408 56.400 -0.059 0.000 0.800 359 E CB -0.054 29.669 29.700 0.037 0.000 0.746 359 E HN 0.333 nan 8.360 nan 0.000 0.452 360 L N 0.672 121.719 121.223 -0.294 0.000 2.093 360 L HA -0.168 4.172 4.340 0.000 0.000 0.208 360 L C 2.955 179.576 176.870 -0.415 0.000 1.085 360 L CA 1.463 56.048 54.840 -0.425 0.000 0.755 360 L CB -0.464 41.312 42.059 -0.473 0.000 0.904 360 L HN 0.289 nan 8.230 nan 0.000 0.435 361 Q N 0.585 120.148 119.800 -0.395 0.000 2.124 361 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 361 Q C 1.849 177.719 176.000 -0.218 0.000 0.977 361 Q CA 1.740 57.355 55.803 -0.313 0.000 0.850 361 Q CB 0.049 28.638 28.738 -0.249 0.000 0.901 361 Q HN 0.527 nan 8.270 nan 0.000 0.429 362 E N -0.177 119.905 120.200 -0.196 0.000 2.285 362 E HA -0.074 4.276 4.350 0.000 0.000 0.194 362 E C 1.462 177.930 176.600 -0.221 0.000 0.997 362 E CA 0.547 56.854 56.400 -0.156 0.000 0.845 362 E CB 0.257 29.898 29.700 -0.100 0.000 0.782 362 E HN 0.282 nan 8.360 nan 0.000 0.491 363 K N -0.341 119.827 120.400 -0.385 0.000 2.393 363 K HA 0.081 4.401 4.320 0.000 0.000 0.193 363 K C 0.717 176.975 176.600 -0.570 0.000 1.026 363 K CA 0.439 56.378 56.287 -0.580 0.000 1.064 363 K CB 0.842 32.704 32.500 -1.064 0.000 0.833 363 K HN 0.163 nan 8.250 nan 0.000 0.521 364 G N 1.456 110.032 108.800 -0.373 0.000 2.225 364 G HA2 -0.242 3.719 3.960 0.000 0.000 0.264 364 G HA3 -0.242 3.719 3.960 0.000 0.000 0.264 364 G C 0.030 174.913 174.900 -0.028 0.000 1.060 364 G CA -0.065 44.942 45.100 -0.156 0.000 0.833 364 G HN 0.257 nan 8.290 nan 0.000 0.498 365 Y N -0.774 119.437 120.300 -0.149 0.000 2.462 365 Y HA 0.416 4.966 4.550 0.000 0.000 0.261 365 Y C 1.819 177.620 175.900 -0.165 0.000 1.146 365 Y CA -0.540 57.471 58.100 -0.147 0.000 1.283 365 Y CB 0.171 38.514 38.460 -0.196 0.000 1.090 365 Y HN 0.368 nan 8.280 nan 0.000 0.526 366 L N 0.182 121.355 121.223 -0.083 0.000 2.360 366 L HA 0.321 4.661 4.340 0.000 0.000 0.271 366 L C -0.275 176.521 176.870 -0.124 0.000 1.057 366 L CA -1.333 53.402 54.840 -0.175 0.000 0.803 366 L CB 1.056 42.929 42.059 -0.311 0.000 1.207 366 L HN -0.158 nan 8.230 nan 0.000 0.445 367 L N 2.628 123.749 121.223 -0.170 0.000 2.513 367 L HA 0.094 4.434 4.340 0.000 0.000 0.272 367 L C -0.191 176.574 176.870 -0.176 0.000 1.187 367 L CA 0.744 55.422 54.840 -0.270 0.000 0.895 367 L CB -0.146 41.615 42.059 -0.497 0.000 1.147 367 L HN 0.464 nan 8.230 nan 0.000 0.483 368 K N 5.161 125.454 120.400 -0.179 0.000 2.156 368 K HA 0.528 4.848 4.320 0.000 0.000 0.250 368 K C -0.271 176.272 176.600 -0.095 0.000 0.955 368 K CA -0.882 55.350 56.287 -0.092 0.000 0.855 368 K CB 1.580 34.044 32.500 -0.059 0.000 1.101 368 K HN 0.553 nan 8.250 nan 0.000 0.434 369 R N 1.212 121.701 120.500 -0.018 0.000 2.649 369 R HA 0.067 4.407 4.340 0.000 0.000 0.270 369 R C -1.700 174.584 176.300 -0.027 0.000 1.105 369 R CA -1.592 54.509 56.100 0.002 0.000 1.193 369 R CB -0.066 30.254 30.300 0.034 0.000 1.120 369 R HN 0.351 nan 8.270 nan 0.000 0.561 370 P HA -0.184 nan 4.420 nan 0.000 0.216 370 P C 0.190 177.482 177.300 -0.014 0.000 1.150 370 P CA 1.412 64.502 63.100 -0.017 0.000 0.837 370 P CB 0.029 31.726 31.700 -0.005 0.000 0.786 371 D N -1.978 118.416 120.400 -0.010 0.000 2.378 371 D HA 0.040 4.680 4.640 0.000 0.000 0.227 371 D C 1.441 177.733 176.300 -0.014 0.000 1.012 371 D CA 0.896 54.890 54.000 -0.011 0.000 0.905 371 D CB -1.031 39.763 40.800 -0.010 0.000 0.895 371 D HN 0.247 nan 8.370 nan 0.000 0.532 372 G N -0.356 108.433 108.800 -0.017 0.000 2.217 372 G HA2 -0.297 3.663 3.960 0.000 0.000 0.246 372 G HA3 -0.297 3.663 3.960 0.000 0.000 0.246 372 G C 0.496 175.384 174.900 -0.020 0.000 0.990 372 G CA 0.403 45.492 45.100 -0.018 0.000 0.627 372 G HN 0.872 nan 8.290 nan 0.000 0.522 373 S N 0.244 115.932 115.700 -0.020 0.000 2.645 373 S HA 0.750 5.220 4.470 0.000 0.000 0.266 373 S C 0.507 175.094 174.600 -0.021 0.000 1.258 373 S CA -0.804 57.383 58.200 -0.022 0.000 0.990 373 S CB 1.472 64.657 63.200 -0.025 0.000 0.967 373 S HN 0.675 nan 8.310 nan 0.000 0.556 374 L N 0.961 122.172 121.223 -0.020 0.000 2.397 374 L HA 0.296 4.636 4.340 0.000 0.000 0.271 374 L C 0.020 176.888 176.870 -0.003 0.000 1.148 374 L CA -0.685 54.149 54.840 -0.010 0.000 0.825 374 L CB 0.339 42.397 42.059 -0.002 0.000 1.117 374 L HN 0.822 nan 8.230 nan 0.000 0.456 375 W N 4.032 125.245 121.300 -0.146 0.000 2.238 375 W HA 0.313 4.973 4.660 0.000 0.000 0.321 375 W C -0.318 176.121 176.519 -0.133 0.000 1.293 375 W CA 0.098 57.339 57.345 -0.174 0.000 1.204 375 W CB 0.558 29.854 29.460 -0.272 0.000 1.167 375 W HN 0.456 nan 8.180 nan 0.000 0.553 376 Q N 4.708 123.919 119.800 -0.981 0.000 2.630 376 Q HA 0.397 4.737 4.340 0.000 0.000 0.295 376 Q C -1.247 174.266 176.000 -0.813 0.000 0.944 376 Q CA -0.884 54.523 55.803 -0.660 0.000 0.766 376 Q CB 2.695 31.307 28.738 -0.209 0.000 1.471 376 Q HN 0.574 nan 8.270 nan 0.000 0.416 377 W N -0.243 120.734 121.300 -0.538 0.000 2.929 377 W HA 0.388 5.048 4.660 0.000 0.000 0.363 377 W C -1.632 174.800 176.519 -0.145 0.000 1.168 377 W CA -0.766 56.372 57.345 -0.345 0.000 1.163 377 W CB -0.234 29.027 29.460 -0.331 0.000 1.455 377 W HN 0.531 nan 8.180 nan 0.000 0.568 378 D N 1.096 121.468 120.400 -0.047 0.000 2.615 378 D HA 0.160 4.800 4.640 0.000 0.000 0.236 378 D C -0.353 175.782 176.300 -0.276 0.000 1.233 378 D CA 0.039 53.952 54.000 -0.145 0.000 0.829 378 D CB 0.448 41.180 40.800 -0.113 0.000 1.024 378 D HN 0.130 nan 8.370 nan 0.000 0.490 379 K N 0.134 120.135 120.400 -0.665 0.000 2.172 379 K HA 0.152 4.472 4.320 0.000 0.000 0.276 379 K C 0.475 177.037 176.600 -0.063 0.000 1.013 379 K CA -0.638 55.307 56.287 -0.570 0.000 0.913 379 K CB 2.022 33.755 32.500 -1.277 0.000 1.055 379 K HN 0.131 nan 8.250 nan 0.000 0.461 380 W N 1.031 122.295 121.300 -0.060 0.000 0.552 380 W HA -0.353 4.307 4.660 0.000 0.000 0.218 380 W C -0.855 175.737 176.519 0.121 0.000 0.978 380 W CA 1.224 58.647 57.345 0.129 0.000 0.778 380 W CB -0.562 28.997 29.460 0.164 0.000 1.830 380 W HN 0.499 nan 8.180 nan 0.000 0.486 381 Q N 1.559 121.394 119.800 0.060 0.000 2.345 381 Q HA 0.425 4.765 4.340 0.000 0.000 0.268 381 Q C -2.126 173.857 176.000 -0.029 0.000 1.054 381 Q CA -1.716 54.034 55.803 -0.089 0.000 0.835 381 Q CB 1.436 30.159 28.738 -0.024 0.000 1.339 381 Q HN 0.020 nan 8.270 nan 0.000 0.447 382 P HA 0.036 nan 4.420 nan 0.000 0.276 382 P C 0.352 177.568 177.300 -0.140 0.000 1.235 382 P CA 0.496 63.492 63.100 -0.172 0.000 0.772 382 P CB 0.432 31.925 31.700 -0.345 0.000 0.871 383 G N 2.859 111.596 108.800 -0.105 0.000 2.249 383 G HA2 -0.286 3.674 3.960 0.000 0.000 0.273 383 G HA3 -0.286 3.674 3.960 0.000 0.000 0.273 383 G C 0.023 174.942 174.900 0.031 0.000 1.036 383 G CA 0.030 45.069 45.100 -0.102 0.000 0.824 383 G HN 0.655 nan 8.290 nan 0.000 0.504 384 L N 0.109 121.431 121.223 0.166 0.000 2.559 384 L HA 0.507 4.847 4.340 0.000 0.000 0.274 384 L C 0.740 177.818 176.870 0.348 0.000 1.205 384 L CA 0.428 55.459 54.840 0.317 0.000 0.907 384 L CB 0.410 42.725 42.059 0.428 0.000 1.153 384 L HN 0.564 nan 8.230 nan 0.000 0.490 385 A N 6.444 129.475 122.820 0.351 0.000 2.346 385 A HA 0.815 5.135 4.320 0.000 0.000 0.313 385 A C -0.768 176.886 177.584 0.117 0.000 1.140 385 A CA -0.749 51.420 52.037 0.220 0.000 0.826 385 A CB 1.141 20.192 19.000 0.084 0.000 1.332 385 A HN 0.709 nan 8.150 nan 0.000 0.457 386 I N 0.379 120.950 120.570 0.001 0.000 2.465 386 I HA 0.277 4.447 4.170 0.000 0.000 0.291 386 I C -1.178 174.844 176.117 -0.157 0.000 1.014 386 I CA -0.495 60.794 61.300 -0.017 0.000 1.093 386 I CB 1.593 39.523 38.000 -0.115 0.000 1.267 386 I HN 0.638 nan 8.210 nan 0.000 0.431 387 Y N 3.321 123.545 120.300 -0.126 0.000 2.597 387 Y HA -0.017 4.533 4.550 0.000 0.000 0.336 387 Y C 0.772 176.398 175.900 -0.458 0.000 1.216 387 Y CA 0.271 58.151 58.100 -0.366 0.000 1.463 387 Y CB 0.297 38.358 38.460 -0.664 0.000 1.303 387 Y HN 0.435 nan 8.280 nan 0.000 0.576 388 D N 3.922 124.250 120.400 -0.120 0.000 2.456 388 D HA 0.094 4.734 4.640 0.000 0.000 0.219 388 D C -0.161 176.197 176.300 0.097 0.000 1.126 388 D CA -0.127 53.931 54.000 0.097 0.000 0.890 388 D CB -0.092 40.800 40.800 0.152 0.000 1.025 388 D HN 0.544 nan 8.370 nan 0.000 0.511 389 F N 1.174 121.328 119.950 0.339 0.000 2.816 389 F HA -0.048 4.479 4.527 0.000 0.000 0.302 389 F C 2.367 178.228 175.800 0.102 0.000 1.178 389 F CA 0.211 58.273 58.000 0.104 0.000 1.421 389 F CB 0.275 39.228 39.000 -0.078 0.000 1.114 389 F HN 0.311 nan 8.300 nan 0.000 0.573 390 T N -3.817 110.948 114.554 0.351 0.000 3.081 390 T HA -0.000 4.350 4.350 0.000 0.000 0.250 390 T C 0.694 175.536 174.700 0.237 0.000 1.100 390 T CA -0.181 62.100 62.100 0.302 0.000 1.038 390 T CB -0.220 68.882 68.868 0.389 0.000 0.962 390 T HN -0.011 nan 8.240 nan 0.000 0.516 391 N N 2.500 121.235 118.700 0.058 0.000 2.420 391 N HA 0.282 5.022 4.740 0.000 0.000 0.249 391 N C -2.175 173.183 175.510 -0.252 0.000 1.033 391 N CA -2.242 50.533 53.050 -0.458 0.000 0.944 391 N CB 1.857 40.077 38.487 -0.445 0.000 1.113 391 N HN -0.033 nan 8.380 nan 0.000 0.502 392 P HA -0.102 nan 4.420 nan 0.000 0.216 392 P C 0.378 177.620 177.300 -0.096 0.000 1.150 392 P CA 1.157 64.210 63.100 -0.079 0.000 0.843 392 P CB 0.443 32.134 31.700 -0.016 0.000 0.787 393 D N -1.455 118.849 120.400 -0.159 0.000 2.234 393 D HA 0.012 4.652 4.640 0.000 0.000 0.205 393 D C 1.917 177.906 176.300 -0.519 0.000 0.962 393 D CA 0.917 54.825 54.000 -0.153 0.000 0.855 393 D CB -0.325 40.522 40.800 0.078 0.000 0.951 393 D HN 0.067 nan 8.370 nan 0.000 0.500 394 A N 0.350 122.805 122.820 -0.608 0.000 1.929 394 A HA -0.133 4.187 4.320 0.000 0.000 0.216 394 A C 2.487 180.034 177.584 -0.061 0.000 1.176 394 A CA 0.846 52.484 52.037 -0.664 0.000 0.628 394 A CB -0.797 18.053 19.000 -0.249 0.000 0.816 394 A HN 0.294 nan 8.150 nan 0.000 0.444 395 C N -0.575 118.750 119.300 0.042 0.000 2.432 395 C HA -0.081 4.379 4.460 0.000 0.000 0.277 395 C C 2.706 177.748 174.990 0.086 0.000 1.249 395 C CA 1.439 60.542 59.018 0.142 0.000 1.725 395 C CB -0.965 26.812 27.740 0.060 0.000 2.028 395 C HN 0.743 nan 8.230 nan 0.000 0.477 396 K N -0.836 119.577 120.400 0.022 0.000 2.097 396 K HA -0.232 4.088 4.320 0.000 0.000 0.206 396 K C 1.980 178.611 176.600 0.052 0.000 1.049 396 K CA 1.747 58.044 56.287 0.017 0.000 0.933 396 K CB -0.323 32.185 32.500 0.014 0.000 0.717 396 K HN 0.687 nan 8.250 nan 0.000 0.442 397 W N 0.307 121.539 121.300 -0.114 0.000 2.379 397 W HA -0.239 4.421 4.660 0.000 0.000 0.307 397 W C 1.937 178.446 176.519 -0.017 0.000 1.200 397 W CA 1.691 59.006 57.345 -0.050 0.000 1.297 397 W CB -0.454 28.957 29.460 -0.082 0.000 1.140 397 W HN 0.153 nan 8.180 nan 0.000 0.507 398 Y N 0.917 121.357 120.300 0.233 0.000 2.181 398 Y HA -0.206 4.344 4.550 0.000 0.000 0.288 398 Y C 2.398 178.106 175.900 -0.320 0.000 1.146 398 Y CA 2.821 60.929 58.100 0.012 0.000 1.164 398 Y CB -0.950 37.605 38.460 0.159 0.000 0.982 398 Y HN -0.001 nan 8.280 nan 0.000 0.515 399 A N 0.024 122.806 122.820 -0.062 0.000 1.902 399 A HA -0.210 4.110 4.320 0.000 0.000 0.217 399 A C 1.878 179.272 177.584 -0.315 0.000 1.181 399 A CA 2.059 53.981 52.037 -0.191 0.000 0.623 399 A CB -0.831 18.105 19.000 -0.105 0.000 0.818 399 A HN 0.520 nan 8.150 nan 0.000 0.443 400 D N -0.249 119.964 120.400 -0.313 0.000 2.178 400 D HA -0.097 4.543 4.640 0.000 0.000 0.201 400 D C 1.845 177.864 176.300 -0.469 0.000 0.980 400 D CA 0.912 54.715 54.000 -0.330 0.000 0.842 400 D CB -0.131 40.498 40.800 -0.285 0.000 0.948 400 D HN 0.269 nan 8.370 nan 0.000 0.472 401 K N 0.305 120.255 120.400 -0.750 0.000 2.097 401 K HA 0.014 4.334 4.320 0.000 0.000 0.205 401 K C 2.277 178.372 176.600 -0.842 0.000 1.050 401 K CA 0.245 55.964 56.287 -0.947 0.000 0.938 401 K CB -0.254 31.256 32.500 -1.649 0.000 0.718 401 K HN 0.264 nan 8.250 nan 0.000 0.442 402 L N 0.701 121.421 121.223 -0.839 0.000 2.056 402 L HA -0.142 4.198 4.340 0.000 0.000 0.207 402 L C 2.264 179.015 176.870 -0.199 0.000 1.078 402 L CA 1.242 55.736 54.840 -0.577 0.000 0.749 402 L CB -0.315 41.353 42.059 -0.653 0.000 0.901 402 L HN 0.091 nan 8.230 nan 0.000 0.433 403 K N 0.079 120.352 120.400 -0.211 0.000 2.211 403 K HA -0.078 4.242 4.320 0.000 0.000 0.203 403 K C 2.087 178.636 176.600 -0.085 0.000 1.050 403 K CA 1.043 57.265 56.287 -0.108 0.000 0.945 403 K CB -0.306 32.121 32.500 -0.121 0.000 0.732 403 K HN 0.386 nan 8.250 nan 0.000 0.451 404 G N 1.106 109.828 108.800 -0.130 0.000 2.421 404 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 404 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 404 G C 1.425 176.327 174.900 0.003 0.000 1.143 404 G CA 0.297 45.353 45.100 -0.073 0.000 0.784 404 G HN 0.090 nan 8.290 nan 0.000 0.541 405 L N 0.096 121.339 121.223 0.033 0.000 2.109 405 L HA -0.005 4.335 4.340 0.000 0.000 0.207 405 L C 2.922 179.832 176.870 0.065 0.000 1.086 405 L CA 0.217 55.133 54.840 0.125 0.000 0.760 405 L CB -0.258 41.949 42.059 0.247 0.000 0.910 405 L HN 0.075 nan 8.230 nan 0.000 0.437 406 V N 0.138 120.088 119.914 0.061 0.000 2.270 406 V HA -0.231 3.889 4.120 0.000 0.000 0.245 406 V C 2.578 178.647 176.094 -0.043 0.000 1.043 406 V CA 1.755 64.047 62.300 -0.013 0.000 1.014 406 V CB -0.738 31.089 31.823 0.006 0.000 0.645 406 V HN 0.465 nan 8.190 nan 0.000 0.447 407 A N -1.087 121.713 122.820 -0.034 0.000 2.259 407 A HA -0.133 4.187 4.320 0.000 0.000 0.212 407 A C 2.078 179.634 177.584 -0.047 0.000 1.178 407 A CA 1.657 53.668 52.037 -0.044 0.000 0.734 407 A CB -0.558 18.418 19.000 -0.041 0.000 0.774 407 A HN 0.557 nan 8.150 nan 0.000 0.481 408 M N -2.084 117.492 119.600 -0.040 0.000 2.441 408 M HA 0.258 4.738 4.480 0.000 0.000 0.244 408 M C 1.189 177.440 176.300 -0.082 0.000 1.122 408 M CA 1.079 56.347 55.300 -0.052 0.000 1.041 408 M CB 0.466 33.058 32.600 -0.014 0.000 1.438 408 M HN 0.522 nan 8.290 nan 0.000 0.484 409 G N 0.039 108.786 108.800 -0.088 0.000 2.428 409 G HA2 -0.174 3.786 3.960 0.000 0.000 0.199 409 G HA3 -0.174 3.786 3.960 0.000 0.000 0.199 409 G C -0.057 174.758 174.900 -0.142 0.000 1.005 409 G CA -0.101 44.930 45.100 -0.115 0.000 0.671 409 G HN 0.233 nan 8.290 nan 0.000 0.485 410 V N 2.531 122.363 119.914 -0.137 0.000 2.694 410 V HA 0.159 4.279 4.120 0.000 0.000 0.306 410 V C 1.156 177.074 176.094 -0.293 0.000 1.054 410 V CA 1.372 63.541 62.300 -0.218 0.000 1.161 410 V CB 1.171 32.844 31.823 -0.250 0.000 0.916 410 V HN 0.418 nan 8.190 nan 0.000 0.490 411 D N 2.056 122.256 120.400 -0.333 0.000 2.338 411 D HA 0.113 4.753 4.640 0.000 0.000 0.224 411 D C 0.530 176.669 176.300 -0.268 0.000 0.967 411 D CA 1.006 54.832 54.000 -0.290 0.000 0.896 411 D CB 0.685 41.262 40.800 -0.372 0.000 1.028 411 D HN 0.755 nan 8.370 nan 0.000 0.493 412 C N -1.197 117.882 119.300 -0.367 0.000 3.318 412 C HA 0.812 5.272 4.460 0.000 0.000 0.329 412 C C -1.289 173.364 174.990 -0.561 0.000 1.449 412 C CA -1.260 57.578 59.018 -0.299 0.000 1.397 412 C CB 0.838 28.670 27.740 0.153 0.000 1.810 412 C HN 0.007 nan 8.230 nan 0.000 0.449 413 F N 0.260 120.289 119.950 0.132 0.000 2.578 413 F HA 0.594 5.121 4.527 0.000 0.000 0.311 413 F C 0.042 175.924 175.800 0.137 0.000 1.094 413 F CA -0.648 57.426 58.000 0.124 0.000 0.923 413 F CB 1.752 40.797 39.000 0.076 0.000 1.230 413 F HN 0.718 nan 8.300 nan 0.000 0.450 414 K N 1.971 122.580 120.400 0.348 0.000 2.266 414 K HA 0.248 4.568 4.320 0.000 0.000 0.274 414 K C -0.407 176.268 176.600 0.125 0.000 1.090 414 K CA -0.331 56.073 56.287 0.196 0.000 0.925 414 K CB 0.557 33.110 32.500 0.087 0.000 1.225 414 K HN 0.758 nan 8.250 nan 0.000 0.458 415 T N 1.137 115.753 114.554 0.104 0.000 3.185 415 T HA 0.074 4.424 4.350 0.000 0.000 0.287 415 T C 0.092 174.870 174.700 0.131 0.000 1.051 415 T CA -0.826 61.291 62.100 0.029 0.000 1.051 415 T CB 0.196 68.872 68.868 -0.320 0.000 1.034 415 T HN 0.418 nan 8.240 nan 0.000 0.685 416 D N 1.482 121.931 120.400 0.082 0.000 2.398 416 D HA 0.422 5.062 4.640 0.000 0.000 0.247 416 D C 0.724 177.171 176.300 0.246 0.000 1.227 416 D CA -0.871 53.235 54.000 0.177 0.000 0.980 416 D CB 0.159 41.140 40.800 0.301 0.000 1.106 416 D HN 0.422 nan 8.370 nan 0.000 0.493 417 F N -0.550 119.390 119.950 -0.016 0.000 1.485 417 F HA -0.185 4.342 4.527 0.000 0.000 0.124 417 F C 1.794 177.655 175.800 0.101 0.000 0.130 417 F CA 1.414 59.408 58.000 -0.010 0.000 0.405 417 F CB -1.483 37.431 39.000 -0.144 0.000 1.544 417 F HN 0.571 nan 8.300 nan 0.000 0.628 418 G N -0.881 108.143 108.800 0.372 0.000 2.148 418 G HA2 -0.150 3.810 3.960 0.000 0.000 0.203 418 G HA3 -0.150 3.810 3.960 0.000 0.000 0.203 418 G C 0.576 175.700 174.900 0.372 0.000 0.993 418 G CA 0.526 45.873 45.100 0.412 0.000 0.661 418 G HN 1.057 nan 8.290 nan 0.000 0.518 419 E N 0.100 120.493 120.200 0.323 0.000 2.290 419 E HA 0.113 4.463 4.350 0.000 0.000 0.199 419 E C 1.305 177.905 176.600 0.001 0.000 0.912 419 E CA -0.249 56.220 56.400 0.116 0.000 0.924 419 E CB 0.028 29.833 29.700 0.176 0.000 0.901 419 E HN 0.403 nan 8.360 nan 0.000 0.487 420 R N 1.747 122.378 120.500 0.219 0.000 3.710 420 R HA 0.223 4.563 4.340 0.000 0.000 0.201 420 R C -0.364 175.904 176.300 -0.054 0.000 1.641 420 R CA -0.085 56.142 56.100 0.210 0.000 1.390 420 R CB -0.070 30.500 30.300 0.450 0.000 1.341 420 R HN 0.110 nan 8.270 nan 0.000 0.728 421 I N 4.303 124.768 120.570 -0.175 0.000 2.304 421 I HA 0.208 4.378 4.170 0.000 0.000 0.291 421 I C -1.665 174.366 176.117 -0.143 0.000 1.018 421 I CA -3.273 57.852 61.300 -0.290 0.000 1.260 421 I CB 0.746 38.554 38.000 -0.320 0.000 1.390 421 I HN 0.133 nan 8.210 nan 0.000 0.475 422 P HA 0.108 nan 4.420 nan 0.000 0.269 422 P C 0.553 177.736 177.300 -0.194 0.000 1.215 422 P CA 0.043 62.840 63.100 -0.505 0.000 0.780 422 P CB 0.917 31.813 31.700 -1.340 0.000 0.898 423 T N -2.942 111.603 114.554 -0.015 0.000 3.023 423 T HA -0.010 4.340 4.350 0.000 0.000 0.249 423 T C 0.554 175.272 174.700 0.031 0.000 1.050 423 T CA 0.131 62.289 62.100 0.098 0.000 1.088 423 T CB -0.628 68.353 68.868 0.188 0.000 0.946 423 T HN 0.414 nan 8.240 nan 0.000 0.480 424 D N 3.273 123.672 120.400 -0.001 0.000 2.688 424 D HA 0.346 4.986 4.640 0.000 0.000 0.228 424 D C 0.322 176.607 176.300 -0.026 0.000 1.116 424 D CA -0.583 53.431 54.000 0.023 0.000 1.023 424 D CB -0.208 40.641 40.800 0.082 0.000 1.100 424 D HN 0.514 nan 8.370 nan 0.000 0.487 425 V N -2.750 117.098 119.914 -0.110 0.000 3.202 425 V HA 0.598 4.718 4.120 0.000 0.000 0.306 425 V C -1.340 174.621 176.094 -0.222 0.000 1.283 425 V CA -1.245 60.917 62.300 -0.230 0.000 1.065 425 V CB 1.891 33.389 31.823 -0.541 0.000 1.079 425 V HN 0.232 nan 8.190 nan 0.000 0.448 426 Q N 0.433 120.068 119.800 -0.275 0.000 2.303 426 Q HA 0.440 4.780 4.340 0.000 0.000 0.267 426 Q C -1.901 173.975 176.000 -0.207 0.000 1.011 426 Q CA -0.478 55.234 55.803 -0.152 0.000 0.740 426 Q CB 1.592 30.295 28.738 -0.058 0.000 1.250 426 Q HN 0.794 nan 8.270 nan 0.000 0.458 427 W N 3.316 124.644 121.300 0.046 0.000 2.190 427 W HA 0.132 4.792 4.660 0.000 0.000 0.330 427 W C 1.141 177.738 176.519 0.130 0.000 1.299 427 W CA -0.474 56.928 57.345 0.096 0.000 1.215 427 W CB 0.320 29.845 29.460 0.109 0.000 1.147 427 W HN 0.738 nan 8.180 nan 0.000 0.563 428 F N 2.695 122.800 119.950 0.259 0.000 2.115 428 F HA -0.369 4.158 4.527 0.000 0.000 0.300 428 F C 2.242 178.150 175.800 0.179 0.000 1.092 428 F CA 2.450 60.559 58.000 0.181 0.000 1.245 428 F CB -0.039 39.073 39.000 0.186 0.000 0.995 428 F HN 0.422 nan 8.300 nan 0.000 0.481 429 D N -0.795 119.851 120.400 0.411 0.000 2.340 429 D HA 0.065 4.705 4.640 0.000 0.000 0.220 429 D C 1.633 178.018 176.300 0.142 0.000 1.039 429 D CA 0.911 55.058 54.000 0.245 0.000 0.866 429 D CB -0.535 40.445 40.800 0.300 0.000 0.913 429 D HN 0.447 nan 8.370 nan 0.000 0.523 430 G N 0.374 109.282 108.800 0.181 0.000 2.198 430 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 430 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 430 G C 0.138 175.133 174.900 0.158 0.000 1.042 430 G CA 0.302 45.490 45.100 0.147 0.000 0.791 430 G HN 0.411 nan 8.290 nan 0.000 0.502 431 S N -0.037 115.780 115.700 0.194 0.000 2.585 431 S HA 0.354 4.824 4.470 0.000 0.000 0.273 431 S C 0.438 175.118 174.600 0.132 0.000 1.339 431 S CA -0.159 58.086 58.200 0.076 0.000 1.028 431 S CB 1.226 64.377 63.200 -0.082 0.000 0.906 431 S HN 0.471 nan 8.310 nan 0.000 0.528 432 D N 1.876 122.313 120.400 0.060 0.000 2.412 432 D HA 0.094 4.734 4.640 0.000 0.000 0.257 432 D C -1.667 174.724 176.300 0.152 0.000 1.217 432 D CA -1.782 52.280 54.000 0.104 0.000 0.897 432 D CB 0.887 41.727 40.800 0.066 0.000 1.132 432 D HN 0.062 nan 8.370 nan 0.000 0.493 433 P HA -0.160 nan 4.420 nan 0.000 0.216 433 P C 1.212 178.697 177.300 0.307 0.000 1.150 433 P CA 1.029 64.359 63.100 0.383 0.000 0.843 433 P CB 0.267 32.156 31.700 0.315 0.000 0.787 434 Q N -0.397 119.555 119.800 0.253 0.000 2.224 434 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 434 Q C 1.751 177.942 176.000 0.317 0.000 0.970 434 Q CA 1.339 57.333 55.803 0.318 0.000 0.865 434 Q CB -0.329 28.541 28.738 0.219 0.000 0.922 434 Q HN 0.431 nan 8.270 nan 0.000 0.445 435 K N -0.775 119.732 120.400 0.178 0.000 2.284 435 K HA 0.144 4.464 4.320 0.000 0.000 0.198 435 K C 1.913 178.550 176.600 0.061 0.000 1.048 435 K CA 0.094 56.438 56.287 0.096 0.000 0.987 435 K CB 0.194 32.680 32.500 -0.024 0.000 0.800 435 K HN 0.071 nan 8.250 nan 0.000 0.486 436 M N 0.352 119.957 119.600 0.008 0.000 2.296 436 M HA -0.107 4.373 4.480 0.000 0.000 0.265 436 M C 1.940 178.246 176.300 0.010 0.000 1.064 436 M CA 1.533 56.756 55.300 -0.128 0.000 1.109 436 M CB -0.843 31.386 32.600 -0.618 0.000 1.396 436 M HN 0.227 nan 8.290 nan 0.000 0.430 437 H N 1.374 120.426 119.070 -0.031 0.000 2.265 437 H HA -0.176 4.380 4.556 0.000 0.000 0.293 437 H C 1.785 177.022 175.328 -0.152 0.000 1.089 437 H CA 2.600 58.526 56.048 -0.203 0.000 1.244 437 H CB 0.125 29.489 29.762 -0.663 0.000 1.355 437 H HN 0.315 nan 8.280 nan 0.000 0.485 438 N N -0.930 117.745 118.700 -0.042 0.000 2.220 438 N HA -0.121 4.619 4.740 0.000 0.000 0.182 438 N C 1.862 177.485 175.510 0.187 0.000 1.023 438 N CA 1.213 54.294 53.050 0.051 0.000 0.856 438 N CB -0.684 37.934 38.487 0.220 0.000 0.997 438 N HN 0.489 nan 8.380 nan 0.000 0.429 439 H N -0.251 118.887 119.070 0.114 0.000 2.518 439 H HA -0.097 4.459 4.556 0.000 0.000 0.292 439 H C 1.679 177.112 175.328 0.174 0.000 1.068 439 H CA 1.057 57.192 56.048 0.146 0.000 1.275 439 H CB -0.205 29.588 29.762 0.053 0.000 1.375 439 H HN 0.249 nan 8.280 nan 0.000 0.563 440 Y N 0.176 120.483 120.300 0.012 0.000 2.165 440 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 440 Y C 2.543 178.509 175.900 0.109 0.000 1.155 440 Y CA 1.626 59.731 58.100 0.008 0.000 1.164 440 Y CB -0.795 37.663 38.460 -0.003 0.000 0.978 440 Y HN 0.300 nan 8.280 nan 0.000 0.513 441 A N -0.427 122.516 122.820 0.205 0.000 1.892 441 A HA -0.317 4.003 4.320 0.000 0.000 0.218 441 A C 2.172 179.799 177.584 0.072 0.000 1.188 441 A CA 2.071 54.224 52.037 0.193 0.000 0.631 441 A CB -1.669 17.450 19.000 0.199 0.000 0.822 441 A HN 0.724 nan 8.150 nan 0.000 0.447 442 Y N 0.399 120.648 120.300 -0.084 0.000 2.163 442 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 442 Y C 2.095 177.851 175.900 -0.240 0.000 1.136 442 Y CA 1.671 59.698 58.100 -0.122 0.000 1.147 442 Y CB -0.104 38.221 38.460 -0.225 0.000 0.987 442 Y HN 0.240 nan 8.280 nan 0.000 0.509 443 I N 0.026 120.431 120.570 -0.276 0.000 2.179 443 I HA -0.338 3.832 4.170 0.000 0.000 0.242 443 I C 2.395 178.213 176.117 -0.497 0.000 1.088 443 I CA 1.748 62.838 61.300 -0.351 0.000 1.357 443 I CB -1.770 36.106 38.000 -0.206 0.000 1.051 443 I HN 0.432 nan 8.210 nan 0.000 0.409 444 Y N 2.301 122.201 120.300 -0.667 0.000 2.049 444 Y HA -0.309 4.241 4.550 0.000 0.000 0.277 444 Y C 2.629 178.155 175.900 -0.624 0.000 1.143 444 Y CA 1.806 59.431 58.100 -0.792 0.000 1.115 444 Y CB -0.237 37.881 38.460 -0.569 0.000 0.975 444 Y HN 0.173 nan 8.280 nan 0.000 0.487 445 N N 0.683 118.948 118.700 -0.724 0.000 2.149 445 N HA -0.243 4.497 4.740 0.000 0.000 0.188 445 N C 1.815 176.783 175.510 -0.904 0.000 1.019 445 N CA 1.699 54.297 53.050 -0.754 0.000 0.857 445 N CB -0.437 37.787 38.487 -0.437 0.000 0.997 445 N HN 0.634 nan 8.380 nan 0.000 0.426 446 E N 1.217 120.744 120.200 -1.122 0.000 2.110 446 E HA -0.159 4.191 4.350 0.000 0.000 0.193 446 E C 2.197 178.345 176.600 -0.755 0.000 0.988 446 E CA 0.568 56.117 56.400 -1.419 0.000 0.804 446 E CB -0.091 28.941 29.700 -1.114 0.000 0.745 446 E HN 0.302 nan 8.360 nan 0.000 0.458 447 L N 0.428 121.289 121.223 -0.604 0.000 1.994 447 L HA -0.164 4.176 4.340 0.000 0.000 0.208 447 L C 2.366 179.041 176.870 -0.325 0.000 1.071 447 L CA 1.211 55.788 54.840 -0.439 0.000 0.745 447 L CB -0.193 41.521 42.059 -0.576 0.000 0.892 447 L HN 0.076 nan 8.230 nan 0.000 0.431 448 V N -0.547 119.167 119.914 -0.333 0.000 2.295 448 V HA -0.336 3.784 4.120 0.000 0.000 0.246 448 V C 2.190 178.201 176.094 -0.139 0.000 1.049 448 V CA 2.276 64.443 62.300 -0.222 0.000 1.024 448 V CB -1.135 30.558 31.823 -0.217 0.000 0.648 448 V HN 0.739 nan 8.190 nan 0.000 0.447 449 W N 1.405 122.469 121.300 -0.393 0.000 2.338 449 W HA -0.208 4.452 4.660 0.000 0.000 0.304 449 W C 2.212 178.609 176.519 -0.204 0.000 1.212 449 W CA 1.989 59.151 57.345 -0.306 0.000 1.264 449 W CB -0.378 28.744 29.460 -0.565 0.000 1.142 449 W HN 0.345 nan 8.180 nan 0.000 0.512 450 N N 0.384 119.029 118.700 -0.092 0.000 2.459 450 N HA -0.121 4.619 4.740 0.000 0.000 0.181 450 N C 1.656 177.086 175.510 -0.133 0.000 1.046 450 N CA 1.224 54.220 53.050 -0.090 0.000 0.904 450 N CB -0.100 38.347 38.487 -0.068 0.000 0.964 450 N HN 0.073 nan 8.380 nan 0.000 0.444 451 V N 1.309 121.136 119.914 -0.146 0.000 2.255 451 V HA -0.163 3.957 4.120 0.000 0.000 0.243 451 V C 2.366 178.393 176.094 -0.111 0.000 1.038 451 V CA 0.960 63.189 62.300 -0.119 0.000 1.008 451 V CB -0.420 31.329 31.823 -0.123 0.000 0.645 451 V HN 0.136 nan 8.190 nan 0.000 0.449 452 L N 0.390 121.539 121.223 -0.123 0.000 2.021 452 L HA -0.244 4.096 4.340 0.000 0.000 0.215 452 L C 2.439 179.170 176.870 -0.232 0.000 1.074 452 L CA 2.189 56.934 54.840 -0.158 0.000 0.760 452 L CB -1.222 40.693 42.059 -0.240 0.000 0.889 452 L HN 0.391 nan 8.230 nan 0.000 0.433 453 K N -0.551 119.644 120.400 -0.341 0.000 2.063 453 K HA -0.192 4.128 4.320 0.000 0.000 0.208 453 K C 1.398 177.918 176.600 -0.133 0.000 1.048 453 K CA 1.774 57.901 56.287 -0.267 0.000 0.928 453 K CB -0.035 32.316 32.500 -0.249 0.000 0.713 453 K HN 0.351 nan 8.250 nan 0.000 0.442 454 D N -0.298 120.037 120.400 -0.108 0.000 2.347 454 D HA -0.066 4.574 4.640 0.000 0.000 0.215 454 D C 1.521 177.782 176.300 -0.064 0.000 0.976 454 D CA 1.273 55.232 54.000 -0.069 0.000 0.884 454 D CB 0.392 41.156 40.800 -0.059 0.000 0.915 454 D HN 0.505 nan 8.370 nan 0.000 0.526 455 T N -1.412 113.097 114.554 -0.075 0.000 3.587 455 T HA -0.015 4.335 4.350 0.000 0.000 0.221 455 T C 2.105 176.769 174.700 -0.061 0.000 0.921 455 T CA 0.731 62.794 62.100 -0.062 0.000 1.426 455 T CB -0.820 68.015 68.868 -0.054 0.000 1.340 455 T HN -0.039 nan 8.240 nan 0.000 0.423 456 V N 0.030 119.903 119.914 -0.069 0.000 3.078 456 V HA 0.469 4.589 4.120 0.000 0.000 0.265 456 V C 1.259 177.324 176.094 -0.048 0.000 1.122 456 V CA 0.219 62.485 62.300 -0.056 0.000 1.141 456 V CB -1.846 29.947 31.823 -0.049 0.000 0.735 456 V HN 1.357 nan 8.190 nan 0.000 0.498 457 G N -0.082 108.675 108.800 -0.073 0.000 2.712 457 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 457 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 457 G C 0.058 174.902 174.900 -0.093 0.000 1.181 457 G CA 0.141 45.205 45.100 -0.059 0.000 0.762 457 G HN 0.427 nan 8.290 nan 0.000 0.641 458 E N 0.333 120.490 120.200 -0.072 0.000 2.114 458 E HA -0.272 4.078 4.350 0.000 0.000 0.199 458 E C 2.165 178.741 176.600 -0.040 0.000 1.008 458 E CA 2.362 58.721 56.400 -0.068 0.000 0.810 458 E CB 0.045 29.766 29.700 0.035 0.000 0.739 458 E HN 0.682 nan 8.360 nan 0.000 0.456 459 E N 0.445 120.652 120.200 0.010 0.000 2.204 459 E HA -0.143 4.208 4.350 0.000 0.000 0.194 459 E C 1.507 178.130 176.600 0.038 0.000 0.989 459 E CA 0.895 57.324 56.400 0.049 0.000 0.824 459 E CB -0.021 29.722 29.700 0.073 0.000 0.756 459 E HN 0.229 nan 8.360 nan 0.000 0.477 460 E N 0.350 120.565 120.200 0.024 0.000 2.479 460 E HA 0.208 4.558 4.350 0.000 0.000 0.193 460 E C 0.042 176.640 176.600 -0.003 0.000 1.049 460 E CA 0.235 56.698 56.400 0.106 0.000 0.870 460 E CB 0.231 30.023 29.700 0.153 0.000 0.944 460 E HN 0.225 nan 8.360 nan 0.000 0.492 461 A N 1.363 124.055 122.820 -0.214 0.000 2.454 461 A HA 0.363 4.683 4.320 0.000 0.000 0.260 461 A C -0.016 177.355 177.584 -0.355 0.000 1.106 461 A CA -0.037 51.689 52.037 -0.519 0.000 0.780 461 A CB 0.516 18.770 19.000 -1.244 0.000 1.044 461 A HN 0.026 nan 8.150 nan 0.000 0.498 462 V N 4.203 124.028 119.914 -0.147 0.000 3.036 462 V HA 0.606 4.726 4.120 0.000 0.000 0.288 462 V C -1.234 174.973 176.094 0.188 0.000 1.407 462 V CA -0.533 61.823 62.300 0.095 0.000 0.983 462 V CB 1.782 33.573 31.823 -0.053 0.000 1.128 462 V HN 0.916 nan 8.190 nan 0.000 0.439 463 L N 4.194 125.545 121.223 0.213 0.000 2.250 463 L HA 0.702 5.042 4.340 0.000 0.000 0.252 463 L C -1.542 175.410 176.870 0.137 0.000 1.054 463 L CA -0.721 54.237 54.840 0.198 0.000 0.856 463 L CB 2.314 44.464 42.059 0.151 0.000 1.443 463 L HN 0.631 nan 8.230 nan 0.000 0.427 464 F N 1.097 120.987 119.950 -0.100 0.000 2.824 464 F HA 0.592 5.119 4.527 0.000 0.000 0.375 464 F C 0.010 175.817 175.800 0.013 0.000 1.190 464 F CA -0.626 57.261 58.000 -0.188 0.000 1.180 464 F CB 1.224 39.989 39.000 -0.391 0.000 1.477 464 F HN 0.338 nan 8.300 nan 0.000 0.542 465 A N 4.002 126.786 122.820 -0.060 0.000 2.301 465 A HA 0.510 4.830 4.320 0.000 0.000 0.298 465 A C 1.152 178.705 177.584 -0.053 0.000 1.185 465 A CA -0.491 51.504 52.037 -0.070 0.000 0.830 465 A CB 0.768 19.559 19.000 -0.348 0.000 1.112 465 A HN 0.867 nan 8.150 nan 0.000 0.508 466 R N 1.222 121.623 120.500 -0.165 0.000 2.189 466 R HA 0.060 4.400 4.340 0.000 0.000 0.203 466 R C 0.480 176.554 176.300 -0.376 0.000 1.012 466 R CA 1.240 56.915 56.100 -0.708 0.000 1.015 466 R CB 0.099 29.778 30.300 -1.035 0.000 0.938 466 R HN 0.821 nan 8.270 nan 0.000 0.472 467 S N -1.118 114.529 115.700 -0.088 0.000 2.599 467 S HA 0.873 5.343 4.470 0.000 0.000 0.294 467 S C -0.788 173.896 174.600 0.139 0.000 1.094 467 S CA -0.507 57.722 58.200 0.048 0.000 0.931 467 S CB 2.507 65.778 63.200 0.117 0.000 1.093 467 S HN 0.206 nan 8.310 nan 0.000 0.488 468 A N 0.470 123.370 122.820 0.134 0.000 2.536 468 A HA 0.927 5.247 4.320 0.000 0.000 0.293 468 A C -0.598 177.102 177.584 0.193 0.000 1.119 468 A CA -0.407 51.754 52.037 0.207 0.000 0.654 468 A CB 0.971 20.114 19.000 0.238 0.000 1.291 468 A HN 1.724 nan 8.150 nan 0.000 0.439 469 S N -1.150 114.708 115.700 0.263 0.000 2.596 469 S HA 0.555 5.025 4.470 0.000 0.000 0.270 469 S C -0.856 173.841 174.600 0.161 0.000 1.155 469 S CA -0.141 58.201 58.200 0.237 0.000 0.827 469 S CB 1.218 64.593 63.200 0.291 0.000 1.130 469 S HN 1.706 nan 8.310 nan 0.000 0.467 470 V N 2.985 122.879 119.914 -0.033 0.000 2.742 470 V HA 0.261 4.381 4.120 0.000 0.000 0.302 470 V C 1.852 177.747 176.094 -0.332 0.000 1.133 470 V CA 2.107 64.209 62.300 -0.330 0.000 1.284 470 V CB -0.334 30.845 31.823 -1.073 0.000 0.850 470 V HN 1.728 nan 8.190 nan 0.000 0.494 471 G N 3.834 112.414 108.800 -0.367 0.000 2.175 471 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 471 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 471 G C 0.803 175.591 174.900 -0.186 0.000 0.982 471 G CA 0.242 45.116 45.100 -0.376 0.000 0.641 471 G HN 1.556 nan 8.290 nan 0.000 0.527 472 A N 0.572 123.370 122.820 -0.037 0.000 2.238 472 A HA 0.290 4.610 4.320 0.000 0.000 0.208 472 A C 2.178 179.598 177.584 -0.273 0.000 1.177 472 A CA 1.765 53.846 52.037 0.074 0.000 0.804 472 A CB -0.237 19.007 19.000 0.407 0.000 0.823 472 A HN 0.823 nan 8.150 nan 0.000 0.482 473 Q N 0.664 119.982 119.800 -0.803 0.000 2.436 473 Q HA -0.080 4.260 4.340 0.000 0.000 0.209 473 Q C 0.957 176.568 176.000 -0.649 0.000 0.965 473 Q CA 1.258 56.463 55.803 -0.997 0.000 0.910 473 Q CB -0.443 27.454 28.738 -1.403 0.000 0.980 473 Q HN 0.623 nan 8.270 nan 0.000 0.491 474 K N 0.247 120.102 120.400 -0.909 0.000 2.439 474 K HA 0.015 4.335 4.320 0.000 0.000 0.197 474 K C -0.361 175.378 176.600 -1.435 0.000 1.041 474 K CA 0.447 56.071 56.287 -1.105 0.000 0.970 474 K CB 0.114 31.850 32.500 -1.274 0.000 0.773 474 K HN 0.150 nan 8.250 nan 0.000 0.479 475 F N 1.981 121.498 119.950 -0.720 0.000 2.438 475 F HA 0.252 4.779 4.527 0.000 0.000 0.315 475 F C -2.228 173.311 175.800 -0.434 0.000 1.258 475 F CA -3.812 53.548 58.000 -1.066 0.000 1.180 475 F CB -0.151 38.435 39.000 -0.688 0.000 1.412 475 F HN -0.169 nan 8.300 nan 0.000 0.544 476 P HA -0.127 nan 4.420 nan 0.000 0.265 476 P C 0.259 177.485 177.300 -0.123 0.000 1.167 476 P CA 0.776 63.866 63.100 -0.017 0.000 0.760 476 P CB 1.569 33.224 31.700 -0.076 0.000 0.783 477 V N 2.330 122.198 119.914 -0.077 0.000 3.434 477 V HA -0.200 3.920 4.120 0.000 0.000 0.459 477 V C -1.385 174.442 176.094 -0.446 0.000 0.681 477 V CA 0.618 62.731 62.300 -0.312 0.000 1.967 477 V CB -1.931 29.431 31.823 -0.769 0.000 2.417 477 V HN 0.799 nan 8.190 nan 0.000 0.495 478 H N 5.960 124.927 119.070 -0.171 0.000 2.492 478 H HA 0.772 5.328 4.556 0.000 0.000 0.345 478 H C -0.098 175.064 175.328 -0.277 0.000 1.136 478 H CA 0.415 56.376 56.048 -0.145 0.000 1.202 478 H CB 1.303 31.056 29.762 -0.015 0.000 1.524 478 H HN 0.986 nan 8.280 nan 0.000 0.506 479 W N 2.052 123.064 121.300 -0.480 0.000 2.666 479 W HA 0.523 5.183 4.660 0.000 0.000 0.334 479 W C 0.654 177.024 176.519 -0.248 0.000 1.051 479 W CA -1.269 55.703 57.345 -0.622 0.000 1.224 479 W CB 1.050 30.028 29.460 -0.803 0.000 1.405 479 W HN 0.685 nan 8.180 nan 0.000 0.513 480 G N 2.290 110.941 108.800 -0.249 0.000 2.601 480 G HA2 0.254 4.214 3.960 0.000 0.000 0.214 480 G HA3 0.254 4.214 3.960 0.000 0.000 0.214 480 G C 0.834 175.649 174.900 -0.141 0.000 1.132 480 G CA 0.805 46.000 45.100 0.159 0.000 0.761 480 G HN 1.689 nan 8.290 nan 0.000 0.550 481 G N -0.033 108.196 108.800 -0.951 0.000 2.632 481 G HA2 -0.194 3.766 3.960 0.000 0.000 0.224 481 G HA3 -0.194 3.766 3.960 0.000 0.000 0.224 481 G C -0.740 174.029 174.900 -0.219 0.000 1.341 481 G CA -0.181 44.432 45.100 -0.811 0.000 0.880 481 G HN 0.233 nan 8.290 nan 0.000 0.566 482 D N 1.405 121.614 120.400 -0.318 0.000 2.435 482 D HA 0.420 5.060 4.640 0.000 0.000 0.230 482 D C 1.182 177.448 176.300 -0.057 0.000 1.215 482 D CA 0.646 54.393 54.000 -0.421 0.000 0.947 482 D CB -0.489 39.880 40.800 -0.718 0.000 1.048 482 D HN 0.888 nan 8.370 nan 0.000 0.512 483 C N 1.153 120.526 119.300 0.122 0.000 2.335 483 C HA 0.629 5.089 4.460 0.000 0.000 0.363 483 C C 0.337 175.471 174.990 0.239 0.000 1.198 483 C CA -1.103 58.064 59.018 0.249 0.000 2.279 483 C CB -0.081 27.912 27.740 0.422 0.000 2.334 483 C HN 0.424 nan 8.230 nan 0.000 0.559 484 Y N -0.157 120.320 120.300 0.295 0.000 2.374 484 Y HA 0.492 5.042 4.550 0.000 0.000 0.322 484 Y C 1.009 177.103 175.900 0.324 0.000 1.275 484 Y CA -0.154 58.107 58.100 0.268 0.000 1.307 484 Y CB 1.030 39.614 38.460 0.208 0.000 1.282 484 Y HN 0.904 nan 8.280 nan 0.000 0.509 485 A N 2.810 125.851 122.820 0.369 0.000 3.091 485 A HA 0.323 4.643 4.320 0.000 0.000 0.264 485 A C -0.845 176.911 177.584 0.287 0.000 1.673 485 A CA -0.260 51.959 52.037 0.303 0.000 1.362 485 A CB -1.745 17.341 19.000 0.143 0.000 1.137 485 A HN 0.774 nan 8.150 nan 0.000 0.617 486 N N -2.498 116.416 118.700 0.357 0.000 2.825 486 N HA 0.400 5.140 4.740 0.000 0.000 0.253 486 N C -0.078 175.530 175.510 0.163 0.000 1.426 486 N CA -0.820 52.327 53.050 0.160 0.000 0.851 486 N CB 0.321 38.916 38.487 0.179 0.000 1.470 486 N HN -0.079 nan 8.380 nan 0.000 0.517 487 Y N -0.065 120.404 120.300 0.281 0.000 2.181 487 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 487 Y C 1.729 177.730 175.900 0.170 0.000 1.146 487 Y CA 1.493 59.748 58.100 0.258 0.000 1.164 487 Y CB -0.404 38.228 38.460 0.287 0.000 0.982 487 Y HN 0.651 nan 8.280 nan 0.000 0.515 488 E N -0.547 119.815 120.200 0.269 0.000 2.085 488 E HA -0.198 4.152 4.350 0.000 0.000 0.194 488 E C 2.487 179.167 176.600 0.133 0.000 0.994 488 E CA 1.558 58.043 56.400 0.141 0.000 0.801 488 E CB -0.574 29.196 29.700 0.117 0.000 0.743 488 E HN 0.230 nan 8.360 nan 0.000 0.453 489 S N -0.408 115.414 115.700 0.203 0.000 2.383 489 S HA -0.123 4.347 4.470 0.000 0.000 0.227 489 S C 1.919 176.654 174.600 0.224 0.000 1.026 489 S CA 1.253 59.608 58.200 0.258 0.000 0.981 489 S CB -0.189 63.260 63.200 0.415 0.000 0.818 489 S HN 0.330 nan 8.310 nan 0.000 0.472 490 M N 0.991 120.617 119.600 0.043 0.000 2.117 490 M HA -0.068 4.412 4.480 0.000 0.000 0.262 490 M C 2.078 178.410 176.300 0.053 0.000 1.065 490 M CA 1.788 56.862 55.300 -0.377 0.000 1.114 490 M CB -0.480 31.731 32.600 -0.648 0.000 1.361 490 M HN 0.439 nan 8.290 nan 0.000 0.408 491 A N 1.084 123.941 122.820 0.061 0.000 1.873 491 A HA -0.225 4.095 4.320 0.000 0.000 0.215 491 A C 1.956 179.537 177.584 -0.005 0.000 1.186 491 A CA 1.884 53.834 52.037 -0.146 0.000 0.616 491 A CB -1.092 17.653 19.000 -0.426 0.000 0.823 491 A HN 0.792 nan 8.150 nan 0.000 0.442 492 E N 0.178 120.425 120.200 0.078 0.000 2.153 492 E HA -0.160 4.190 4.350 0.000 0.000 0.194 492 E C 1.863 178.658 176.600 0.325 0.000 0.988 492 E CA 1.609 58.113 56.400 0.173 0.000 0.811 492 E CB -0.463 29.342 29.700 0.175 0.000 0.746 492 E HN 0.481 nan 8.360 nan 0.000 0.466 493 S N 1.309 117.213 115.700 0.339 0.000 2.368 493 S HA -0.133 4.337 4.470 0.000 0.000 0.225 493 S C 1.895 176.744 174.600 0.416 0.000 1.030 493 S CA 1.118 59.632 58.200 0.524 0.000 0.999 493 S CB -0.373 63.191 63.200 0.605 0.000 0.844 493 S HN 0.240 nan 8.310 nan 0.000 0.459 494 L N 2.492 123.876 121.223 0.268 0.000 2.046 494 L HA -0.040 4.300 4.340 0.000 0.000 0.208 494 L C 2.217 179.004 176.870 -0.137 0.000 1.077 494 L CA 1.660 56.541 54.840 0.068 0.000 0.747 494 L CB -0.589 41.435 42.059 -0.059 0.000 0.896 494 L HN 0.127 nan 8.230 nan 0.000 0.432 495 R N -0.504 119.962 120.500 -0.056 0.000 2.105 495 R HA -0.119 4.221 4.340 0.000 0.000 0.239 495 R C 2.205 178.367 176.300 -0.230 0.000 1.135 495 R CA 1.207 57.242 56.100 -0.109 0.000 0.967 495 R CB -1.068 29.210 30.300 -0.037 0.000 0.861 495 R HN 0.591 nan 8.270 nan 0.000 0.442 496 G N 0.475 109.167 108.800 -0.179 0.000 2.421 496 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 496 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 496 G C 1.538 176.009 174.900 -0.715 0.000 1.171 496 G CA 0.845 45.685 45.100 -0.432 0.000 0.775 496 G HN 0.452 nan 8.290 nan 0.000 0.543 497 G N 0.851 108.930 108.800 -1.202 0.000 2.418 497 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 497 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 497 G C 1.828 176.107 174.900 -1.035 0.000 1.158 497 G CA 0.780 44.541 45.100 -2.232 0.000 0.771 497 G HN 0.413 nan 8.290 nan 0.000 0.545 498 L N 0.720 121.556 121.223 -0.645 0.000 2.046 498 L HA -0.107 4.233 4.340 0.000 0.000 0.208 498 L C 3.217 179.890 176.870 -0.328 0.000 1.077 498 L CA 1.325 55.938 54.840 -0.378 0.000 0.747 498 L CB -0.486 41.432 42.059 -0.234 0.000 0.896 498 L HN 0.187 nan 8.230 nan 0.000 0.432 499 S N -0.007 115.484 115.700 -0.347 0.000 2.370 499 S HA -0.198 4.272 4.470 0.000 0.000 0.226 499 S C 1.965 176.391 174.600 -0.291 0.000 1.033 499 S CA 1.318 59.347 58.200 -0.285 0.000 1.011 499 S CB -0.295 62.715 63.200 -0.317 0.000 0.852 499 S HN 0.330 nan 8.310 nan 0.000 0.457 500 I N 1.273 121.601 120.570 -0.403 0.000 2.286 500 I HA -0.152 4.018 4.170 0.000 0.000 0.248 500 I C 2.305 178.338 176.117 -0.141 0.000 1.115 500 I CA 1.161 62.251 61.300 -0.351 0.000 1.392 500 I CB -0.527 37.185 38.000 -0.479 0.000 1.065 500 I HN 0.393 nan 8.210 nan 0.000 0.418 501 G N 0.530 109.221 108.800 -0.182 0.000 2.408 501 G HA2 -0.190 3.771 3.960 0.000 0.000 0.217 501 G HA3 -0.190 3.771 3.960 0.000 0.000 0.217 501 G C 1.547 176.399 174.900 -0.080 0.000 1.150 501 G CA 0.261 45.298 45.100 -0.105 0.000 0.776 501 G HN 0.375 nan 8.290 nan 0.000 0.542 502 L N 1.095 122.253 121.223 -0.108 0.000 2.622 502 L HA 0.083 4.423 4.340 0.000 0.000 0.233 502 L C 1.777 178.656 176.870 0.016 0.000 1.156 502 L CA 0.347 55.139 54.840 -0.080 0.000 0.866 502 L CB 0.309 42.298 42.059 -0.117 0.000 0.980 502 L HN 0.100 nan 8.230 nan 0.000 0.448 503 S N -0.827 114.894 115.700 0.036 0.000 2.593 503 S HA 0.336 4.806 4.470 0.000 0.000 0.236 503 S C 1.260 175.950 174.600 0.150 0.000 0.991 503 S CA 0.439 58.717 58.200 0.130 0.000 0.963 503 S CB 1.007 64.253 63.200 0.077 0.000 0.865 503 S HN 0.538 nan 8.310 nan 0.000 0.488 504 G N 1.267 110.113 108.800 0.078 0.000 2.176 504 G HA2 -0.229 3.731 3.960 0.000 0.000 0.232 504 G HA3 -0.229 3.731 3.960 0.000 0.000 0.232 504 G C -0.119 174.686 174.900 -0.157 0.000 0.986 504 G CA -0.612 44.496 45.100 0.013 0.000 0.643 504 G HN 0.464 nan 8.290 nan 0.000 0.522 505 F N 1.221 121.082 119.950 -0.149 0.000 2.391 505 F HA 0.540 5.067 4.527 0.000 0.000 0.359 505 F C 1.629 177.328 175.800 -0.168 0.000 1.122 505 F CA 0.189 58.089 58.000 -0.166 0.000 1.120 505 F CB 1.843 40.715 39.000 -0.214 0.000 1.142 505 F HN 0.011 nan 8.300 nan 0.000 0.483 506 G N 3.331 112.055 108.800 -0.126 0.000 2.623 506 G HA2 0.016 3.976 3.960 0.000 0.000 0.214 506 G HA3 0.016 3.976 3.960 0.000 0.000 0.214 506 G C -0.132 174.322 174.900 -0.743 0.000 1.138 506 G CA 0.363 45.189 45.100 -0.456 0.000 0.794 506 G HN 0.391 nan 8.290 nan 0.000 0.535 507 F N -1.827 118.214 119.950 0.152 0.000 2.556 507 F HA 0.621 5.148 4.527 0.000 0.000 0.314 507 F C -0.897 175.043 175.800 0.233 0.000 1.106 507 F CA -1.520 56.587 58.000 0.178 0.000 0.911 507 F CB 1.916 40.942 39.000 0.044 0.000 1.190 507 F HN 0.039 nan 8.300 nan 0.000 0.448 508 W N 2.569 123.968 121.300 0.165 0.000 3.138 508 W HA 0.707 5.367 4.660 0.000 0.000 0.331 508 W C -1.175 175.383 176.519 0.065 0.000 1.166 508 W CA -0.687 56.694 57.345 0.060 0.000 1.212 508 W CB 2.118 31.596 29.460 0.030 0.000 1.399 508 W HN 0.537 nan 8.180 nan 0.000 0.514 509 S N 2.009 117.226 115.700 -0.805 0.000 2.810 509 S HA 0.867 5.337 4.470 0.000 0.000 0.315 509 S C -1.318 172.661 174.600 -1.036 0.000 1.138 509 S CA -0.292 57.457 58.200 -0.753 0.000 0.889 509 S CB 1.095 63.880 63.200 -0.691 0.000 1.236 509 S HN 0.791 nan 8.310 nan 0.000 0.548 510 H N -1.232 117.435 119.070 -0.670 0.000 2.987 510 H HA 0.464 5.020 4.556 0.000 0.000 0.316 510 H C -2.155 173.121 175.328 -0.087 0.000 1.380 510 H CA -1.005 54.845 56.048 -0.330 0.000 1.160 510 H CB 0.032 29.548 29.762 -0.410 0.000 1.865 510 H HN 0.315 nan 8.280 nan 0.000 0.521 511 D N 1.570 122.023 120.400 0.088 0.000 2.352 511 D HA 0.216 4.856 4.640 0.000 0.000 0.245 511 D C 0.133 176.179 176.300 -0.424 0.000 1.224 511 D CA -0.101 53.851 54.000 -0.080 0.000 0.879 511 D CB 0.616 41.487 40.800 0.119 0.000 1.057 511 D HN 0.380 nan 8.370 nan 0.000 0.491 512 I N 1.569 121.843 120.570 -0.495 0.000 2.598 512 I HA 0.125 4.295 4.170 0.000 0.000 0.284 512 I C 1.709 177.334 176.117 -0.820 0.000 1.140 512 I CA 0.575 61.431 61.300 -0.740 0.000 1.420 512 I CB 0.551 38.310 38.000 -0.401 0.000 1.387 512 I HN 0.658 nan 8.210 nan 0.000 0.553 513 G N 3.788 111.812 108.800 -1.293 0.000 2.217 513 G HA2 -0.042 3.918 3.960 0.000 0.000 0.246 513 G HA3 -0.042 3.918 3.960 0.000 0.000 0.246 513 G C 0.586 175.018 174.900 -0.779 0.000 0.990 513 G CA -0.094 44.635 45.100 -0.618 0.000 0.627 513 G HN 1.628 nan 8.290 nan 0.000 0.522 514 G N -1.867 106.192 108.800 -1.234 0.000 2.663 514 G HA2 0.226 4.186 3.960 0.000 0.000 0.686 514 G HA3 0.226 4.186 3.960 0.000 0.000 0.686 514 G C 0.101 174.896 174.900 -0.175 0.000 1.288 514 G CA 0.152 44.871 45.100 -0.635 0.000 0.836 514 G HN 1.447 nan 8.290 nan 0.000 0.584 515 F N 0.661 120.521 119.950 -0.150 0.000 2.293 515 F HA 0.405 4.932 4.527 0.000 0.000 0.272 515 F C 1.393 177.110 175.800 -0.138 0.000 1.053 515 F CA 1.065 59.005 58.000 -0.100 0.000 1.152 515 F CB 0.090 39.083 39.000 -0.012 0.000 1.119 515 F HN 0.454 nan 8.300 nan 0.000 0.564 516 E N 2.806 122.998 120.200 -0.014 0.000 2.316 516 E HA 0.172 4.522 4.350 0.000 0.000 0.275 516 E C -0.681 175.844 176.600 -0.126 0.000 1.029 516 E CA 0.116 56.376 56.400 -0.233 0.000 0.871 516 E CB 0.368 29.633 29.700 -0.726 0.000 1.022 516 E HN 0.420 nan 8.360 nan 0.000 0.418 517 N N 0.391 119.062 118.700 -0.048 0.000 5.666 517 N HA -0.145 4.595 4.740 0.000 0.000 0.384 517 N C -1.184 174.326 175.510 0.001 0.000 1.377 517 N CA 0.572 53.644 53.050 0.037 0.000 2.414 517 N CB -0.597 37.991 38.487 0.169 0.000 0.602 517 N HN 0.366 nan 8.380 nan 0.000 0.643 518 T N 0.563 115.128 114.554 0.017 0.000 2.756 518 T HA 0.729 5.079 4.350 0.000 0.000 0.290 518 T C 0.398 175.148 174.700 0.083 0.000 0.985 518 T CA 0.045 62.156 62.100 0.018 0.000 0.955 518 T CB 0.909 69.746 68.868 -0.052 0.000 0.930 518 T HN 0.705 nan 8.240 nan 0.000 0.451 519 A N 5.399 128.309 122.820 0.150 0.000 2.483 519 A HA 0.363 4.683 4.320 0.000 0.000 0.238 519 A C -0.976 176.670 177.584 0.103 0.000 1.070 519 A CA -1.062 51.041 52.037 0.110 0.000 0.770 519 A CB -0.026 19.034 19.000 0.099 0.000 1.008 519 A HN 0.593 nan 8.150 nan 0.000 0.497 520 P HA 0.179 nan 4.420 nan 0.000 0.256 520 P C 0.726 177.981 177.300 -0.076 0.000 1.335 520 P CA 1.148 64.200 63.100 -0.079 0.000 0.808 520 P CB 0.100 31.697 31.700 -0.173 0.000 1.305 521 A N 0.777 123.587 122.820 -0.016 0.000 1.475 521 A HA -0.339 3.981 4.320 0.000 0.000 0.222 521 A C 1.808 179.345 177.584 -0.078 0.000 0.487 521 A CA 1.833 53.864 52.037 -0.011 0.000 1.107 521 A CB -3.020 16.025 19.000 0.076 0.000 1.460 521 A HN 0.505 nan 8.150 nan 0.000 0.719 522 H N -0.235 118.837 119.070 0.003 0.000 2.421 522 H HA 0.207 4.763 4.556 0.000 0.000 0.298 522 H C 1.760 177.225 175.328 0.227 0.000 1.087 522 H CA 2.095 58.151 56.048 0.014 0.000 1.330 522 H CB -0.831 29.111 29.762 0.299 0.000 1.388 522 H HN 0.497 nan 8.280 nan 0.000 0.526 523 V N 0.488 120.328 119.914 -0.124 0.000 2.379 523 V HA -0.233 3.887 4.120 0.000 0.000 0.245 523 V C 2.306 178.489 176.094 0.147 0.000 1.044 523 V CA 1.863 64.132 62.300 -0.051 0.000 1.036 523 V CB -0.866 30.729 31.823 -0.380 0.000 0.664 523 V HN 0.464 nan 8.190 nan 0.000 0.453 524 Y N 1.428 121.655 120.300 -0.123 0.000 2.128 524 Y HA -0.317 4.233 4.550 0.000 0.000 0.284 524 Y C 2.486 178.340 175.900 -0.078 0.000 1.154 524 Y CA 2.187 60.151 58.100 -0.227 0.000 1.149 524 Y CB -0.216 37.777 38.460 -0.778 0.000 0.976 524 Y HN 0.142 nan 8.280 nan 0.000 0.505 525 K N -0.204 120.162 120.400 -0.056 0.000 2.032 525 K HA -0.175 4.145 4.320 0.000 0.000 0.209 525 K C 2.134 178.803 176.600 0.116 0.000 1.048 525 K CA 1.629 57.895 56.287 -0.034 0.000 0.927 525 K CB -0.131 32.281 32.500 -0.147 0.000 0.712 525 K HN 0.113 nan 8.250 nan 0.000 0.441 526 R N -0.039 120.631 120.500 0.282 0.000 2.091 526 R HA -0.162 4.178 4.340 0.000 0.000 0.238 526 R C 2.006 178.418 176.300 0.185 0.000 1.136 526 R CA 1.135 57.398 56.100 0.271 0.000 0.959 526 R CB -0.801 29.739 30.300 0.399 0.000 0.856 526 R HN 0.459 nan 8.270 nan 0.000 0.437 527 W N 1.055 122.379 121.300 0.039 0.000 2.363 527 W HA -0.171 4.489 4.660 0.000 0.000 0.296 527 W C 2.058 178.531 176.519 -0.076 0.000 1.212 527 W CA 0.436 57.819 57.345 0.064 0.000 1.260 527 W CB -0.568 28.898 29.460 0.011 0.000 1.131 527 W HN 0.073 nan 8.180 nan 0.000 0.530 528 C N 0.130 119.430 119.300 -0.000 0.000 2.413 528 C HA -0.156 4.304 4.460 0.000 0.000 0.276 528 C C 3.072 177.990 174.990 -0.120 0.000 1.248 528 C CA 1.666 60.607 59.018 -0.128 0.000 1.742 528 C CB -1.568 26.045 27.740 -0.211 0.000 2.017 528 C HN 0.365 nan 8.230 nan 0.000 0.481 529 A N 0.534 123.169 122.820 -0.308 0.000 1.845 529 A HA -0.193 4.127 4.320 0.000 0.000 0.215 529 A C 1.974 179.488 177.584 -0.116 0.000 1.195 529 A CA 1.860 53.450 52.037 -0.744 0.000 0.616 529 A CB -0.993 17.464 19.000 -0.905 0.000 0.832 529 A HN 0.496 nan 8.150 nan 0.000 0.443 530 F N 1.556 121.457 119.950 -0.081 0.000 2.091 530 F HA -0.128 4.399 4.527 0.000 0.000 0.299 530 F C 2.255 178.227 175.800 0.287 0.000 1.103 530 F CA 1.459 59.538 58.000 0.132 0.000 1.228 530 F CB -1.150 37.901 39.000 0.085 0.000 0.984 530 F HN 0.182 nan 8.300 nan 0.000 0.477 531 G N 1.307 110.155 108.800 0.080 0.000 2.514 531 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 531 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 531 G C 1.669 176.554 174.900 -0.025 0.000 1.198 531 G CA 0.921 45.928 45.100 -0.155 0.000 0.780 531 G HN 0.380 nan 8.290 nan 0.000 0.565 532 L N 0.166 121.425 121.223 0.060 0.000 2.362 532 L HA 0.166 4.506 4.340 0.000 0.000 0.219 532 L C 1.956 178.953 176.870 0.213 0.000 1.134 532 L CA 0.888 55.816 54.840 0.147 0.000 0.807 532 L CB -0.703 41.490 42.059 0.225 0.000 0.927 532 L HN 0.222 nan 8.230 nan 0.000 0.447 533 L N -0.784 120.591 121.223 0.254 0.000 3.001 533 L HA 0.148 4.488 4.340 0.000 0.000 0.234 533 L C 0.188 177.331 176.870 0.454 0.000 1.321 533 L CA -0.102 54.949 54.840 0.352 0.000 1.138 533 L CB -0.087 42.190 42.059 0.365 0.000 1.503 533 L HN 0.044 nan 8.230 nan 0.000 0.487 534 S N -1.817 114.083 115.700 0.333 0.000 2.667 534 S HA 0.211 4.681 4.470 0.000 0.000 0.292 534 S C 1.005 175.775 174.600 0.283 0.000 1.126 534 S CA -0.286 58.115 58.200 0.336 0.000 0.881 534 S CB 1.978 65.350 63.200 0.288 0.000 1.132 534 S HN 0.340 nan 8.310 nan 0.000 0.492 535 S N 0.438 116.338 115.700 0.334 0.000 2.399 535 S HA -0.093 4.377 4.470 0.000 0.000 0.231 535 S C 0.123 174.743 174.600 0.034 0.000 1.022 535 S CA 1.222 59.648 58.200 0.377 0.000 0.983 535 S CB -0.437 63.152 63.200 0.648 0.000 0.803 535 S HN 0.756 nan 8.310 nan 0.000 0.480 536 H N 0.144 119.257 119.070 0.073 0.000 2.771 536 H HA 0.672 5.228 4.556 0.000 0.000 0.361 536 H C -1.105 174.127 175.328 -0.160 0.000 1.108 536 H CA -0.491 55.497 56.048 -0.099 0.000 1.201 536 H CB 2.126 31.708 29.762 -0.300 0.000 1.681 536 H HN 0.178 nan 8.280 nan 0.000 0.534 537 S N 2.862 118.538 115.700 -0.040 0.000 2.500 537 S HA 0.727 5.197 4.470 0.000 0.000 0.301 537 S C -0.552 174.014 174.600 -0.057 0.000 1.092 537 S CA -1.054 57.094 58.200 -0.088 0.000 1.030 537 S CB 2.307 65.515 63.200 0.014 0.000 1.031 537 S HN 0.635 nan 8.310 nan 0.000 0.483 538 R N 1.636 122.052 120.500 -0.141 0.000 2.626 538 R HA 0.495 4.835 4.340 0.000 0.000 0.274 538 R C -2.035 174.199 176.300 -0.110 0.000 1.031 538 R CA -0.712 55.338 56.100 -0.083 0.000 0.898 538 R CB 1.049 31.226 30.300 -0.206 0.000 1.222 538 R HN 0.700 nan 8.270 nan 0.000 0.455 539 L N 4.327 125.523 121.223 -0.046 0.000 2.321 539 L HA 0.392 4.732 4.340 0.000 0.000 0.272 539 L C -0.812 176.056 176.870 -0.004 0.000 1.050 539 L CA -0.581 54.234 54.840 -0.043 0.000 0.893 539 L CB 0.740 42.789 42.059 -0.017 0.000 1.272 539 L HN 0.557 nan 8.230 nan 0.000 0.435 540 H N 1.711 120.704 119.070 -0.129 0.000 2.589 540 H HA 0.762 5.318 4.556 0.000 0.000 0.351 540 H C -0.313 174.969 175.328 -0.076 0.000 1.074 540 H CA -0.376 55.615 56.048 -0.095 0.000 1.203 540 H CB 1.922 31.613 29.762 -0.119 0.000 1.558 540 H HN 0.494 nan 8.280 nan 0.000 0.522 541 G N 1.603 110.101 108.800 -0.504 0.000 2.714 541 G HA2 0.362 4.322 3.960 0.000 0.000 0.292 541 G HA3 0.362 4.322 3.960 0.000 0.000 0.292 541 G C -0.261 174.155 174.900 -0.806 0.000 1.308 541 G CA -0.095 44.696 45.100 -0.515 0.000 0.964 541 G HN 0.626 nan 8.290 nan 0.000 0.484 542 S N -1.172 114.037 115.700 -0.819 0.000 2.559 542 S HA 0.130 4.600 4.470 0.000 0.000 0.212 542 S C 1.684 176.112 174.600 -0.286 0.000 0.994 542 S CA 0.621 58.376 58.200 -0.742 0.000 0.903 542 S CB -0.095 62.509 63.200 -0.994 0.000 0.861 542 S HN 0.445 nan 8.310 nan 0.000 0.601 543 K N 1.172 121.413 120.400 -0.266 0.000 2.358 543 K HA 0.259 4.579 4.320 0.000 0.000 0.197 543 K C 0.132 176.556 176.600 -0.295 0.000 1.025 543 K CA 0.022 56.181 56.287 -0.213 0.000 1.104 543 K CB 0.876 33.300 32.500 -0.127 0.000 0.855 543 K HN 0.414 nan 8.250 nan 0.000 0.531 544 S N -0.695 114.798 115.700 -0.346 0.000 2.697 544 S HA 0.469 4.939 4.470 0.000 0.000 0.289 544 S C -0.868 173.458 174.600 -0.456 0.000 1.149 544 S CA -0.987 56.962 58.200 -0.418 0.000 0.850 544 S CB 0.630 63.658 63.200 -0.287 0.000 1.151 544 S HN -0.010 nan 8.310 nan 0.000 0.491 545 Y N 0.476 120.658 120.300 -0.197 0.000 2.307 545 Y HA 0.535 5.085 4.550 0.000 0.000 0.324 545 Y C 1.609 177.318 175.900 -0.319 0.000 1.238 545 Y CA -0.989 56.965 58.100 -0.243 0.000 1.280 545 Y CB 0.717 39.027 38.460 -0.250 0.000 1.248 545 Y HN 0.521 nan 8.280 nan 0.000 0.508 546 R N 1.189 121.615 120.500 -0.125 0.000 2.466 546 R HA 0.159 4.499 4.340 0.000 0.000 0.279 546 R C -0.705 175.468 176.300 -0.212 0.000 0.976 546 R CA -0.148 55.910 56.100 -0.071 0.000 1.081 546 R CB -0.656 29.629 30.300 -0.025 0.000 1.215 546 R HN 0.506 nan 8.270 nan 0.000 0.546 547 V N -0.803 118.752 119.914 -0.599 0.000 2.572 547 V HA 0.158 4.278 4.120 0.000 0.000 0.291 547 V C -1.554 174.086 176.094 -0.757 0.000 1.039 547 V CA -1.434 60.236 62.300 -1.051 0.000 1.055 547 V CB 0.946 31.511 31.823 -2.097 0.000 0.969 547 V HN -0.075 nan 8.190 nan 0.000 0.482 548 P HA -0.158 nan 4.420 nan 0.000 0.215 548 P C 1.244 178.550 177.300 0.010 0.000 1.163 548 P CA 2.390 65.484 63.100 -0.010 0.000 0.894 548 P CB -0.166 31.650 31.700 0.193 0.000 0.791 549 W N -0.851 120.470 121.300 0.034 0.000 2.747 549 W HA 0.242 4.902 4.660 0.000 0.000 0.244 549 W C 1.513 177.995 176.519 -0.062 0.000 1.270 549 W CA 0.452 57.799 57.345 0.004 0.000 1.333 549 W CB -1.673 27.785 29.460 -0.002 0.000 1.139 549 W HN -0.124 nan 8.180 nan 0.000 0.662 550 A N -0.727 121.868 122.820 -0.374 0.000 2.169 550 A HA 0.099 4.419 4.320 0.000 0.000 0.212 550 A C 1.145 178.360 177.584 -0.615 0.000 1.153 550 A CA 0.787 52.531 52.037 -0.488 0.000 0.756 550 A CB -0.498 18.076 19.000 -0.710 0.000 0.813 550 A HN 0.471 nan 8.150 nan 0.000 0.471 551 Y N 0.065 120.216 120.300 -0.248 0.000 2.687 551 Y HA 0.332 4.882 4.550 0.000 0.000 0.246 551 Y C 0.510 176.369 175.900 -0.068 0.000 1.061 551 Y CA 0.123 58.098 58.100 -0.207 0.000 1.400 551 Y CB 0.192 38.429 38.460 -0.371 0.000 1.325 551 Y HN 0.440 nan 8.280 nan 0.000 0.498 552 D N -2.436 118.064 120.400 0.166 0.000 2.692 552 D HA 0.106 4.746 4.640 0.000 0.000 0.303 552 D C -0.298 176.098 176.300 0.160 0.000 1.278 552 D CA -0.465 53.617 54.000 0.136 0.000 0.852 552 D CB 0.276 41.141 40.800 0.109 0.000 1.375 552 D HN -0.002 nan 8.370 nan 0.000 0.453 553 D N -0.259 120.225 120.400 0.139 0.000 2.117 553 D HA -0.151 4.489 4.640 0.000 0.000 0.198 553 D C 1.361 177.749 176.300 0.146 0.000 0.982 553 D CA 1.140 55.225 54.000 0.143 0.000 0.828 553 D CB 0.223 41.090 40.800 0.111 0.000 0.967 553 D HN 0.661 nan 8.370 nan 0.000 0.464 554 E N 0.900 121.177 120.200 0.129 0.000 2.118 554 E HA -0.157 4.193 4.350 0.000 0.000 0.195 554 E C 1.960 178.648 176.600 0.147 0.000 0.992 554 E CA 0.998 57.477 56.400 0.131 0.000 0.804 554 E CB 0.188 29.956 29.700 0.113 0.000 0.741 554 E HN -0.017 nan 8.360 nan 0.000 0.458 555 S N -0.290 115.502 115.700 0.154 0.000 2.382 555 S HA -0.176 4.294 4.470 0.000 0.000 0.228 555 S C 2.045 176.798 174.600 0.256 0.000 1.027 555 S CA 1.151 59.484 58.200 0.222 0.000 0.991 555 S CB -0.278 63.074 63.200 0.253 0.000 0.823 555 S HN 0.491 nan 8.310 nan 0.000 0.469 556 C N 1.965 121.409 119.300 0.239 0.000 2.435 556 C HA -0.033 4.427 4.460 0.000 0.000 0.279 556 C C 2.370 177.488 174.990 0.213 0.000 1.321 556 C CA 0.037 59.203 59.018 0.248 0.000 1.752 556 C CB -1.188 26.706 27.740 0.256 0.000 1.959 556 C HN 0.556 nan 8.230 nan 0.000 0.500 557 D N 1.118 121.633 120.400 0.191 0.000 2.084 557 D HA -0.096 4.544 4.640 0.000 0.000 0.196 557 D C 2.241 178.673 176.300 0.219 0.000 0.985 557 D CA 1.192 55.299 54.000 0.178 0.000 0.826 557 D CB -0.537 40.351 40.800 0.147 0.000 0.978 557 D HN 0.300 nan 8.370 nan 0.000 0.456 558 V N 1.339 121.399 119.914 0.243 0.000 2.282 558 V HA -0.230 3.890 4.120 0.000 0.000 0.249 558 V C 2.754 179.102 176.094 0.424 0.000 1.057 558 V CA 1.208 63.720 62.300 0.352 0.000 1.032 558 V CB -0.606 31.410 31.823 0.321 0.000 0.645 558 V HN 0.042 nan 8.190 nan 0.000 0.447 559 V N -0.273 119.819 119.914 0.297 0.000 2.343 559 V HA -0.266 3.854 4.120 0.000 0.000 0.247 559 V C 2.546 178.791 176.094 0.251 0.000 1.051 559 V CA 2.417 64.873 62.300 0.261 0.000 1.036 559 V CB -0.767 31.181 31.823 0.207 0.000 0.654 559 V HN 0.475 nan 8.190 nan 0.000 0.451 560 R N -0.723 119.907 120.500 0.217 0.000 2.073 560 R HA -0.185 4.155 4.340 0.000 0.000 0.234 560 R C 2.267 178.634 176.300 0.112 0.000 1.134 560 R CA 1.983 58.176 56.100 0.155 0.000 0.952 560 R CB -0.447 29.934 30.300 0.135 0.000 0.850 560 R HN 0.452 nan 8.270 nan 0.000 0.433 561 F N 0.296 120.214 119.950 -0.052 0.000 2.065 561 F HA -0.227 4.300 4.527 0.000 0.000 0.298 561 F C 1.557 177.136 175.800 -0.369 0.000 1.112 561 F CA 1.772 59.607 58.000 -0.275 0.000 1.212 561 F CB -0.338 38.406 39.000 -0.426 0.000 0.975 561 F HN -0.013 nan 8.300 nan 0.000 0.476 562 F N -0.166 119.914 119.950 0.217 0.000 2.407 562 F HA -0.077 4.450 4.527 0.000 0.000 0.299 562 F C 2.416 178.242 175.800 0.043 0.000 1.097 562 F CA 1.390 59.453 58.000 0.105 0.000 1.422 562 F CB -1.212 37.910 39.000 0.203 0.000 1.067 562 F HN -0.113 nan 8.300 nan 0.000 0.539 563 T N -0.834 113.841 114.554 0.201 0.000 2.812 563 T HA -0.164 4.186 4.350 0.000 0.000 0.264 563 T C 1.941 176.698 174.700 0.095 0.000 1.042 563 T CA 1.133 63.340 62.100 0.177 0.000 1.140 563 T CB -0.224 68.763 68.868 0.199 0.000 0.870 563 T HN 0.275 nan 8.240 nan 0.000 0.445 564 Q N 0.232 120.027 119.800 -0.009 0.000 2.084 564 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 564 Q C 2.354 178.282 176.000 -0.120 0.000 0.978 564 Q CA 1.108 56.865 55.803 -0.076 0.000 0.844 564 Q CB -0.366 28.267 28.738 -0.175 0.000 0.898 564 Q HN 0.306 nan 8.270 nan 0.000 0.426 565 L N 1.449 122.528 121.223 -0.241 0.000 2.012 565 L HA -0.233 4.107 4.340 0.000 0.000 0.210 565 L C 2.193 179.057 176.870 -0.011 0.000 1.073 565 L CA 1.983 56.690 54.840 -0.222 0.000 0.748 565 L CB -0.511 41.337 42.059 -0.352 0.000 0.891 565 L HN 0.039 nan 8.230 nan 0.000 0.431 566 K N -1.205 119.239 120.400 0.074 0.000 2.063 566 K HA -0.194 4.126 4.320 0.000 0.000 0.208 566 K C 2.100 178.777 176.600 0.128 0.000 1.048 566 K CA 1.944 58.311 56.287 0.133 0.000 0.928 566 K CB -0.353 32.250 32.500 0.171 0.000 0.713 566 K HN 0.561 nan 8.250 nan 0.000 0.442 567 C N 0.678 120.057 119.300 0.131 0.000 2.425 567 C HA 0.004 4.464 4.460 0.000 0.000 0.277 567 C C 2.530 177.678 174.990 0.263 0.000 1.280 567 C CA 0.440 59.582 59.018 0.205 0.000 1.744 567 C CB -0.914 26.936 27.740 0.184 0.000 1.989 567 C HN 0.480 nan 8.230 nan 0.000 0.491 568 R N 0.436 121.022 120.500 0.143 0.000 2.115 568 R HA 0.011 4.351 4.340 0.000 0.000 0.230 568 R C 1.995 178.380 176.300 0.142 0.000 1.111 568 R CA 1.086 57.271 56.100 0.141 0.000 0.976 568 R CB -0.269 30.048 30.300 0.027 0.000 0.870 568 R HN 0.591 nan 8.270 nan 0.000 0.445 569 M N -0.134 119.533 119.600 0.111 0.000 2.562 569 M HA -0.005 4.475 4.480 0.000 0.000 0.257 569 M C 1.696 178.018 176.300 0.037 0.000 1.099 569 M CA 0.553 55.921 55.300 0.114 0.000 1.099 569 M CB 0.013 32.712 32.600 0.165 0.000 1.427 569 M HN 0.022 nan 8.290 nan 0.000 0.489 570 M N 0.261 119.835 119.600 -0.044 0.000 2.195 570 M HA -0.126 4.355 4.480 0.000 0.000 0.260 570 M C -0.707 175.126 176.300 -0.778 0.000 1.066 570 M CA 1.815 56.906 55.300 -0.348 0.000 1.089 570 M CB -2.231 30.223 32.600 -0.242 0.000 1.377 570 M HN 0.012 nan 8.290 nan 0.000 0.411 571 P HA -0.166 nan 4.420 nan 0.000 0.218 571 P C 1.445 178.564 177.300 -0.301 0.000 1.149 571 P CA 1.149 63.887 63.100 -0.603 0.000 0.817 571 P CB -0.235 31.363 31.700 -0.171 0.000 0.785 572 Y N -0.166 119.978 120.300 -0.260 0.000 2.177 572 Y HA -0.058 4.492 4.550 0.000 0.000 0.291 572 Y C 1.940 177.729 175.900 -0.185 0.000 1.117 572 Y CA 1.033 59.041 58.100 -0.153 0.000 1.114 572 Y CB -1.141 37.278 38.460 -0.067 0.000 1.017 572 Y HN -0.304 nan 8.280 nan 0.000 0.505 573 L N 0.063 121.047 121.223 -0.398 0.000 1.978 573 L HA -0.295 4.045 4.340 0.000 0.000 0.218 573 L C 2.363 178.930 176.870 -0.506 0.000 1.075 573 L CA 2.035 56.586 54.840 -0.481 0.000 0.767 573 L CB -2.070 39.840 42.059 -0.248 0.000 0.890 573 L HN 0.411 nan 8.230 nan 0.000 0.434 574 Y N 0.233 120.095 120.300 -0.731 0.000 2.384 574 Y HA -0.267 4.284 4.550 0.000 0.000 0.289 574 Y C 2.734 178.358 175.900 -0.461 0.000 1.152 574 Y CA 1.626 59.282 58.100 -0.741 0.000 1.258 574 Y CB -0.158 37.715 38.460 -0.978 0.000 0.979 574 Y HN 0.147 nan 8.280 nan 0.000 0.549 575 R N 0.493 120.765 120.500 -0.381 0.000 2.075 575 R HA -0.067 4.273 4.340 0.000 0.000 0.226 575 R C 1.863 177.986 176.300 -0.295 0.000 1.114 575 R CA 1.659 57.592 56.100 -0.278 0.000 0.972 575 R CB -0.361 29.834 30.300 -0.176 0.000 0.869 575 R HN 0.142 nan 8.270 nan 0.000 0.437 576 E N 0.469 120.442 120.200 -0.379 0.000 2.150 576 E HA -0.085 4.265 4.350 0.000 0.000 0.193 576 E C 1.815 178.272 176.600 -0.239 0.000 0.985 576 E CA 1.288 57.495 56.400 -0.321 0.000 0.814 576 E CB -0.320 29.119 29.700 -0.435 0.000 0.752 576 E HN 0.462 nan 8.360 nan 0.000 0.466 577 A N 1.367 124.039 122.820 -0.246 0.000 1.969 577 A HA -0.022 4.298 4.320 0.000 0.000 0.218 577 A C 2.377 179.919 177.584 -0.070 0.000 1.169 577 A CA 1.640 53.656 52.037 -0.035 0.000 0.635 577 A CB -0.372 18.589 19.000 -0.065 0.000 0.810 577 A HN 0.249 nan 8.150 nan 0.000 0.445 578 A N -0.219 122.452 122.820 -0.247 0.000 1.969 578 A HA -0.105 4.215 4.320 0.000 0.000 0.218 578 A C 2.207 179.727 177.584 -0.107 0.000 1.169 578 A CA 1.253 53.182 52.037 -0.179 0.000 0.635 578 A CB -0.390 18.494 19.000 -0.192 0.000 0.810 578 A HN 0.540 nan 8.150 nan 0.000 0.445 579 R N -0.527 119.896 120.500 -0.127 0.000 2.092 579 R HA -0.037 4.303 4.340 0.000 0.000 0.231 579 R C 2.468 178.696 176.300 -0.119 0.000 1.119 579 R CA 1.034 57.064 56.100 -0.116 0.000 0.970 579 R CB -0.411 29.812 30.300 -0.129 0.000 0.864 579 R HN 0.509 nan 8.270 nan 0.000 0.440 580 A N 1.746 124.479 122.820 -0.145 0.000 1.877 580 A HA -0.222 4.098 4.320 0.000 0.000 0.216 580 A C 1.965 179.492 177.584 -0.094 0.000 1.186 580 A CA 1.617 53.534 52.037 -0.199 0.000 0.620 580 A CB -0.743 17.980 19.000 -0.462 0.000 0.822 580 A HN 0.377 nan 8.150 nan 0.000 0.443 581 N N 0.044 118.745 118.700 0.002 0.000 2.381 581 N HA -0.043 4.697 4.740 0.000 0.000 0.182 581 N C 1.587 177.073 175.510 -0.041 0.000 1.025 581 N CA 1.243 54.300 53.050 0.012 0.000 0.888 581 N CB -0.098 38.420 38.487 0.052 0.000 0.965 581 N HN 0.398 nan 8.380 nan 0.000 0.438 582 A N 0.173 122.958 122.820 -0.057 0.000 2.014 582 A HA 0.231 4.551 4.320 0.000 0.000 0.210 582 A C 1.912 179.450 177.584 -0.076 0.000 1.188 582 A CA 0.168 52.167 52.037 -0.062 0.000 0.731 582 A CB 0.305 19.271 19.000 -0.057 0.000 0.858 582 A HN 0.205 nan 8.150 nan 0.000 0.464 583 R N -1.954 118.493 120.500 -0.088 0.000 2.531 583 R HA 0.253 4.593 4.340 0.000 0.000 0.316 583 R C 0.880 177.117 176.300 -0.105 0.000 0.955 583 R CA 0.505 56.550 56.100 -0.091 0.000 1.120 583 R CB 0.764 31.013 30.300 -0.085 0.000 1.361 583 R HN 0.616 nan 8.270 nan 0.000 0.534 584 G N 1.695 110.421 108.800 -0.124 0.000 2.153 584 G HA2 -0.271 3.690 3.960 0.000 0.000 0.252 584 G HA3 -0.271 3.690 3.960 0.000 0.000 0.252 584 G C 0.094 174.908 174.900 -0.143 0.000 0.994 584 G CA 0.590 45.605 45.100 -0.143 0.000 0.698 584 G HN 0.245 nan 8.290 nan 0.000 0.521 585 T N 3.598 118.065 114.554 -0.146 0.000 2.737 585 T HA 0.478 4.828 4.350 0.000 0.000 0.296 585 T C -1.573 173.012 174.700 -0.191 0.000 0.922 585 T CA -0.446 61.566 62.100 -0.146 0.000 1.079 585 T CB 1.930 70.718 68.868 -0.132 0.000 0.892 585 T HN 0.305 nan 8.240 nan 0.000 0.514 586 P HA 0.164 nan 4.420 nan 0.000 0.272 586 P C 0.777 177.968 177.300 -0.181 0.000 1.223 586 P CA -0.379 62.589 63.100 -0.220 0.000 0.784 586 P CB 0.879 32.486 31.700 -0.154 0.000 0.923 587 M N 0.918 120.395 119.600 -0.205 0.000 2.175 587 M HA -0.039 4.442 4.480 0.000 0.000 0.264 587 M C 1.471 177.791 176.300 0.033 0.000 1.063 587 M CA 1.787 57.038 55.300 -0.083 0.000 1.119 587 M CB -0.125 32.465 32.600 -0.017 0.000 1.377 587 M HN 0.369 nan 8.290 nan 0.000 0.415 588 M N 1.306 120.926 119.600 0.034 0.000 2.206 588 M HA 0.236 4.716 4.480 0.000 0.000 0.353 588 M C -0.933 175.368 176.300 0.001 0.000 1.242 588 M CA -0.263 55.073 55.300 0.059 0.000 1.179 588 M CB 0.279 32.845 32.600 -0.057 0.000 1.374 588 M HN -0.089 nan 8.290 nan 0.000 0.427 589 R N 3.114 123.656 120.500 0.069 0.000 2.349 589 R HA 0.615 4.955 4.340 0.000 0.000 0.299 589 R C -0.076 176.243 176.300 0.033 0.000 1.027 589 R CA -0.292 55.811 56.100 0.005 0.000 0.958 589 R CB 1.072 31.362 30.300 -0.017 0.000 1.047 589 R HN 0.731 nan 8.270 nan 0.000 0.468 590 A N 3.376 126.165 122.820 -0.052 0.000 2.425 590 A HA 0.098 4.418 4.320 0.000 0.000 0.242 590 A C 1.054 178.627 177.584 -0.018 0.000 1.077 590 A CA -0.305 51.702 52.037 -0.051 0.000 0.781 590 A CB 0.195 19.097 19.000 -0.162 0.000 1.020 590 A HN 0.758 nan 8.150 nan 0.000 0.494 591 M N 1.590 121.214 119.600 0.040 0.000 2.108 591 M HA -0.206 4.274 4.480 0.000 0.000 0.261 591 M C 2.030 178.380 176.300 0.084 0.000 1.066 591 M CA 2.259 57.637 55.300 0.130 0.000 1.107 591 M CB -1.493 31.182 32.600 0.124 0.000 1.356 591 M HN 0.994 nan 8.290 nan 0.000 0.406 592 M N -1.051 118.511 119.600 -0.065 0.000 2.267 592 M HA -0.122 4.358 4.480 0.000 0.000 0.263 592 M C 2.005 178.201 176.300 -0.174 0.000 1.063 592 M CA 1.757 56.970 55.300 -0.145 0.000 1.090 592 M CB -1.059 31.335 32.600 -0.343 0.000 1.392 592 M HN 0.265 nan 8.290 nan 0.000 0.422 593 M N -0.447 119.039 119.600 -0.191 0.000 2.236 593 M HA -0.080 4.400 4.480 0.000 0.000 0.266 593 M C 1.931 178.122 176.300 -0.181 0.000 1.070 593 M CA 1.770 56.956 55.300 -0.190 0.000 1.137 593 M CB -0.001 32.490 32.600 -0.182 0.000 1.378 593 M HN 0.409 nan 8.290 nan 0.000 0.426 594 E N 0.369 120.452 120.200 -0.194 0.000 2.076 594 E HA -0.027 4.323 4.350 0.000 0.000 0.190 594 E C -0.301 175.886 176.600 -0.688 0.000 0.979 594 E CA 1.222 57.355 56.400 -0.446 0.000 0.807 594 E CB 0.105 29.510 29.700 -0.493 0.000 0.761 594 E HN 0.510 nan 8.360 nan 0.000 0.454 595 F N 1.182 121.131 119.950 -0.001 0.000 2.449 595 F HA 0.322 4.849 4.527 0.000 0.000 0.329 595 F C -1.678 174.109 175.800 -0.021 0.000 1.245 595 F CA -1.947 56.062 58.000 0.014 0.000 1.193 595 F CB 1.500 40.540 39.000 0.067 0.000 1.425 595 F HN 0.015 nan 8.300 nan 0.000 0.544 596 P HA -0.173 nan 4.420 nan 0.000 0.219 596 P C 0.363 177.677 177.300 0.022 0.000 1.146 596 P CA 1.526 64.622 63.100 -0.007 0.000 0.808 596 P CB 0.437 32.109 31.700 -0.047 0.000 0.779 597 D N -0.772 119.665 120.400 0.062 0.000 2.340 597 D HA 0.016 4.656 4.640 0.000 0.000 0.217 597 D C 0.188 176.529 176.300 0.068 0.000 1.081 597 D CA 0.264 54.298 54.000 0.055 0.000 0.842 597 D CB 0.024 40.858 40.800 0.055 0.000 0.934 597 D HN 0.166 nan 8.370 nan 0.000 0.511 598 D N 1.954 122.408 120.400 0.090 0.000 2.428 598 D HA 0.070 4.710 4.640 0.000 0.000 0.221 598 D C -1.314 174.986 176.300 0.000 0.000 1.123 598 D CA -2.112 51.927 54.000 0.066 0.000 0.869 598 D CB 1.748 42.612 40.800 0.106 0.000 1.032 598 D HN -0.063 nan 8.370 nan 0.000 0.506 599 P HA -0.160 nan 4.420 nan 0.000 0.224 599 P C 0.809 178.076 177.300 -0.054 0.000 1.142 599 P CA 0.616 63.708 63.100 -0.013 0.000 0.778 599 P CB 0.302 32.006 31.700 0.006 0.000 0.764 600 A N -1.067 121.652 122.820 -0.168 0.000 2.132 600 A HA 0.025 4.345 4.320 0.000 0.000 0.213 600 A C 2.087 179.446 177.584 -0.375 0.000 1.154 600 A CA 0.599 52.419 52.037 -0.360 0.000 0.753 600 A CB -1.059 17.422 19.000 -0.865 0.000 0.826 600 A HN 0.280 nan 8.150 nan 0.000 0.469 601 C N 0.008 119.166 119.300 -0.238 0.000 2.697 601 C HA 0.081 4.541 4.460 0.000 0.000 0.267 601 C C 1.724 176.686 174.990 -0.047 0.000 1.278 601 C CA -0.256 58.685 59.018 -0.127 0.000 1.708 601 C CB -0.892 26.834 27.740 -0.024 0.000 1.860 601 C HN 0.541 nan 8.230 nan 0.000 0.589 602 D N 1.312 121.685 120.400 -0.044 0.000 2.106 602 D HA -0.160 4.480 4.640 0.000 0.000 0.191 602 D C 0.962 177.153 176.300 -0.183 0.000 0.997 602 D CA 1.794 55.718 54.000 -0.127 0.000 0.834 602 D CB -0.232 40.410 40.800 -0.262 0.000 0.956 602 D HN 0.591 nan 8.370 nan 0.000 0.448 603 Y N 0.041 120.380 120.300 0.065 0.000 2.571 603 Y HA 0.279 4.829 4.550 0.000 0.000 0.275 603 Y C 0.471 176.411 175.900 0.067 0.000 1.179 603 Y CA -0.374 57.763 58.100 0.062 0.000 1.242 603 Y CB 0.011 38.483 38.460 0.020 0.000 1.126 603 Y HN -0.197 nan 8.280 nan 0.000 0.524 604 L N 2.583 123.902 121.223 0.160 0.000 2.385 604 L HA 0.077 4.417 4.340 0.000 0.000 0.281 604 L C 0.337 177.266 176.870 0.099 0.000 1.106 604 L CA 0.125 55.043 54.840 0.130 0.000 0.856 604 L CB 0.517 42.611 42.059 0.058 0.000 1.186 604 L HN 0.331 nan 8.230 nan 0.000 0.453 605 D N 1.427 121.884 120.400 0.095 0.000 2.498 605 D HA -0.019 4.621 4.640 0.000 0.000 0.223 605 D C 1.237 177.553 176.300 0.027 0.000 1.125 605 D CA -0.042 53.985 54.000 0.046 0.000 0.835 605 D CB 0.288 41.101 40.800 0.022 0.000 1.086 605 D HN 0.356 nan 8.370 nan 0.000 0.510 606 R N 0.475 121.009 120.500 0.057 0.000 2.388 606 R HA 0.209 4.549 4.340 0.000 0.000 0.247 606 R C 0.338 176.747 176.300 0.182 0.000 0.931 606 R CA 0.090 56.233 56.100 0.072 0.000 1.082 606 R CB 0.279 30.599 30.300 0.034 0.000 1.135 606 R HN 0.430 nan 8.270 nan 0.000 0.525 607 Q N -0.216 119.673 119.800 0.149 0.000 2.534 607 Q HA 0.432 4.772 4.340 0.000 0.000 0.290 607 Q C -1.380 174.736 176.000 0.194 0.000 0.991 607 Q CA -1.194 54.670 55.803 0.102 0.000 0.783 607 Q CB 1.584 30.322 28.738 -0.000 0.000 1.470 607 Q HN 0.082 nan 8.270 nan 0.000 0.406 608 Y N -1.892 118.409 120.300 0.001 0.000 2.764 608 Y HA 0.719 5.269 4.550 0.000 0.000 0.331 608 Y C -1.508 174.428 175.900 0.061 0.000 1.280 608 Y CA -1.602 56.515 58.100 0.029 0.000 1.065 608 Y CB 1.370 39.853 38.460 0.039 0.000 1.319 608 Y HN 0.511 nan 8.280 nan 0.000 0.453 609 M N 2.766 122.513 119.600 0.245 0.000 2.205 609 M HA 0.353 4.833 4.480 0.000 0.000 0.344 609 M C -1.431 175.041 176.300 0.287 0.000 1.085 609 M CA -0.702 54.708 55.300 0.183 0.000 1.001 609 M CB 1.514 34.221 32.600 0.178 0.000 1.626 609 M HN 0.729 nan 8.290 nan 0.000 0.442 610 L N 3.956 125.324 121.223 0.242 0.000 2.287 610 L HA 0.664 5.004 4.340 0.000 0.000 0.280 610 L C 0.425 177.431 176.870 0.226 0.000 1.055 610 L CA 0.741 55.760 54.840 0.298 0.000 0.863 610 L CB 0.013 42.267 42.059 0.325 0.000 1.245 610 L HN 0.949 nan 8.230 nan 0.000 0.432 611 G N 3.689 112.556 108.800 0.112 0.000 2.760 611 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 611 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 611 G C 0.274 175.234 174.900 0.099 0.000 1.359 611 G CA -0.115 44.998 45.100 0.021 0.000 0.861 611 G HN 0.509 nan 8.290 nan 0.000 0.541 612 D N 0.367 120.812 120.400 0.076 0.000 2.218 612 D HA -0.061 4.579 4.640 0.000 0.000 0.204 612 D C 1.938 178.292 176.300 0.089 0.000 0.976 612 D CA 1.504 55.529 54.000 0.042 0.000 0.853 612 D CB 0.015 40.821 40.800 0.010 0.000 0.939 612 D HN 0.378 nan 8.370 nan 0.000 0.481 613 N N -0.148 118.663 118.700 0.184 0.000 2.197 613 N HA 0.033 4.773 4.740 0.000 0.000 0.201 613 N C 0.035 175.585 175.510 0.068 0.000 1.148 613 N CA 0.020 53.110 53.050 0.067 0.000 0.883 613 N CB 2.192 40.635 38.487 -0.072 0.000 1.012 613 N HN 0.060 nan 8.380 nan 0.000 0.507 614 V N 1.189 121.196 119.914 0.155 0.000 2.588 614 V HA 0.538 4.658 4.120 0.000 0.000 0.304 614 V C -0.872 175.299 176.094 0.127 0.000 1.042 614 V CA -0.788 61.582 62.300 0.117 0.000 0.877 614 V CB 2.387 34.211 31.823 0.001 0.000 0.996 614 V HN -0.083 nan 8.190 nan 0.000 0.425 615 M N 7.266 126.920 119.600 0.090 0.000 2.238 615 M HA 0.627 5.107 4.480 0.000 0.000 0.350 615 M C -1.375 174.769 176.300 -0.259 0.000 1.138 615 M CA -0.376 54.867 55.300 -0.096 0.000 1.040 615 M CB 1.272 33.734 32.600 -0.231 0.000 1.639 615 M HN 0.866 nan 8.290 nan 0.000 0.451 616 V N 4.831 124.474 119.914 -0.451 0.000 2.588 616 V HA 0.914 5.034 4.120 0.000 0.000 0.304 616 V C -1.321 174.443 176.094 -0.550 0.000 1.042 616 V CA -0.355 61.632 62.300 -0.522 0.000 0.877 616 V CB 1.656 33.165 31.823 -0.524 0.000 0.996 616 V HN 1.001 nan 8.190 nan 0.000 0.425 617 A N 7.489 130.057 122.820 -0.421 0.000 2.586 617 A HA 0.849 5.169 4.320 0.000 0.000 0.320 617 A C -2.749 174.671 177.584 -0.273 0.000 1.281 617 A CA -1.719 50.140 52.037 -0.296 0.000 0.775 617 A CB 0.703 19.505 19.000 -0.330 0.000 1.122 617 A HN 0.743 nan 8.150 nan 0.000 0.470 618 P HA 0.114 nan 4.420 nan 0.000 0.269 618 P C -0.297 176.653 177.300 -0.583 0.000 1.211 618 P CA 0.157 62.980 63.100 -0.461 0.000 0.781 618 P CB 0.661 31.901 31.700 -0.766 0.000 0.877 619 V N 3.424 123.017 119.914 -0.533 0.000 2.370 619 V HA 0.207 4.327 4.120 0.000 0.000 0.279 619 V C 0.269 176.038 176.094 -0.542 0.000 1.029 619 V CA 0.151 62.221 62.300 -0.383 0.000 0.870 619 V CB 0.262 31.976 31.823 -0.182 0.000 0.984 619 V HN 0.422 nan 8.190 nan 0.000 0.451 620 F N 2.805 122.651 119.950 -0.173 0.000 2.837 620 F HA 0.308 4.835 4.527 0.000 0.000 0.298 620 F C 1.039 176.325 175.800 -0.856 0.000 1.161 620 F CA -0.289 57.493 58.000 -0.362 0.000 1.353 620 F CB 0.419 39.318 39.000 -0.168 0.000 0.951 620 F HN 0.570 nan 8.300 nan 0.000 0.508 621 T N -4.900 109.288 114.554 -0.610 0.000 2.900 621 T HA 0.285 4.635 4.350 0.000 0.000 0.303 621 T C 0.666 175.235 174.700 -0.218 0.000 1.142 621 T CA -0.725 61.071 62.100 -0.507 0.000 1.007 621 T CB 2.393 71.157 68.868 -0.173 0.000 1.156 621 T HN 0.146 nan 8.240 nan 0.000 0.490 622 E N 0.968 121.144 120.200 -0.039 0.000 2.028 622 E HA -0.085 4.265 4.350 0.000 0.000 0.191 622 E C 2.356 178.966 176.600 0.018 0.000 0.988 622 E CA 1.270 57.716 56.400 0.076 0.000 0.799 622 E CB -0.423 29.158 29.700 -0.198 0.000 0.755 622 E HN 0.805 nan 8.360 nan 0.000 0.447 623 A N -0.038 122.765 122.820 -0.029 0.000 1.986 623 A HA -0.108 4.212 4.320 0.000 0.000 0.220 623 A C 1.986 179.526 177.584 -0.073 0.000 1.171 623 A CA 2.078 54.090 52.037 -0.042 0.000 0.640 623 A CB -0.723 18.266 19.000 -0.019 0.000 0.811 623 A HN 0.595 nan 8.150 nan 0.000 0.451 624 G N -1.527 107.233 108.800 -0.067 0.000 2.201 624 G HA2 -0.167 3.793 3.960 0.000 0.000 0.212 624 G HA3 -0.167 3.793 3.960 0.000 0.000 0.212 624 G C -0.313 174.605 174.900 0.030 0.000 0.994 624 G CA 0.119 45.193 45.100 -0.044 0.000 0.644 624 G HN 0.529 nan 8.290 nan 0.000 0.508 625 D N 0.371 120.786 120.400 0.025 0.000 2.455 625 D HA 0.391 5.031 4.640 0.000 0.000 0.241 625 D C 0.009 176.360 176.300 0.085 0.000 1.138 625 D CA 0.947 54.986 54.000 0.066 0.000 0.877 625 D CB 2.382 43.206 40.800 0.041 0.000 1.187 625 D HN 0.536 nan 8.370 nan 0.000 0.451 626 V N 1.995 122.001 119.914 0.152 0.000 2.852 626 V HA 0.164 4.284 4.120 0.000 0.000 0.300 626 V C -1.612 174.674 176.094 0.321 0.000 1.205 626 V CA -0.607 61.812 62.300 0.199 0.000 0.940 626 V CB 2.159 34.057 31.823 0.125 0.000 1.047 626 V HN 0.463 nan 8.190 nan 0.000 0.429 627 Q N 5.528 125.534 119.800 0.344 0.000 2.309 627 Q HA 0.778 5.118 4.340 0.000 0.000 0.264 627 Q C -1.415 174.945 176.000 0.599 0.000 1.008 627 Q CA -0.514 55.528 55.803 0.398 0.000 0.853 627 Q CB 2.704 31.614 28.738 0.286 0.000 1.314 627 Q HN 0.756 nan 8.270 nan 0.000 0.448 628 F N -1.074 119.049 119.950 0.289 0.000 2.654 628 F HA 0.541 5.068 4.527 0.000 0.000 0.308 628 F C -1.801 173.619 175.800 -0.632 0.000 1.108 628 F CA -1.371 56.538 58.000 -0.151 0.000 0.957 628 F CB 0.921 39.831 39.000 -0.151 0.000 1.309 628 F HN 0.478 nan 8.300 nan 0.000 0.446 629 Y N 2.351 121.920 120.300 -1.218 0.000 2.419 629 Y HA 0.800 5.350 4.550 0.000 0.000 0.328 629 Y C -1.752 173.708 175.900 -0.734 0.000 1.162 629 Y CA -1.261 56.020 58.100 -1.365 0.000 1.174 629 Y CB 1.608 39.094 38.460 -1.623 0.000 1.228 629 Y HN 0.781 nan 8.280 nan 0.000 0.473 630 L N 7.387 127.623 121.223 -1.646 0.000 2.409 630 L HA 0.583 4.923 4.340 0.000 0.000 0.272 630 L C -2.493 173.513 176.870 -1.440 0.000 0.980 630 L CA -2.528 51.501 54.840 -1.352 0.000 0.826 630 L CB 2.001 43.427 42.059 -1.056 0.000 1.268 630 L HN 0.554 nan 8.230 nan 0.000 0.407 631 P HA 0.104 nan 4.420 nan 0.000 0.275 631 P C -0.822 176.422 177.300 -0.093 0.000 1.270 631 P CA -0.529 62.287 63.100 -0.472 0.000 0.791 631 P CB 0.436 31.493 31.700 -1.072 0.000 1.089 632 E N 0.113 120.302 120.200 -0.019 0.000 2.481 632 E HA 0.284 4.634 4.350 0.000 0.000 0.263 632 E C 0.146 176.801 176.600 0.093 0.000 0.992 632 E CA 0.578 57.010 56.400 0.054 0.000 0.938 632 E CB -0.453 29.277 29.700 0.050 0.000 0.933 632 E HN 0.648 nan 8.360 nan 0.000 0.453 633 G N 2.795 111.631 108.800 0.060 0.000 2.423 633 G HA2 -0.143 3.817 3.960 0.000 0.000 0.684 633 G HA3 -0.143 3.817 3.960 0.000 0.000 0.684 633 G C -1.165 173.742 174.900 0.011 0.000 1.309 633 G CA -0.450 44.617 45.100 -0.054 0.000 0.950 633 G HN 0.657 nan 8.290 nan 0.000 0.587 634 R N -0.183 120.272 120.500 -0.076 0.000 2.215 634 R HA 0.564 4.904 4.340 0.000 0.000 0.336 634 R C -0.707 175.584 176.300 -0.014 0.000 0.996 634 R CA -0.712 55.409 56.100 0.036 0.000 0.847 634 R CB 0.449 30.770 30.300 0.035 0.000 1.127 634 R HN 0.472 nan 8.270 nan 0.000 0.465 635 W N 2.312 123.601 121.300 -0.019 0.000 2.448 635 W HA 0.370 5.030 4.660 0.000 0.000 0.339 635 W C -0.166 176.468 176.519 0.193 0.000 1.124 635 W CA -0.338 57.031 57.345 0.039 0.000 1.262 635 W CB 1.915 31.349 29.460 -0.044 0.000 1.251 635 W HN 0.343 nan 8.180 nan 0.000 0.597 636 T N 1.922 116.759 114.554 0.471 0.000 2.840 636 T HA 0.081 4.431 4.350 0.000 0.000 0.287 636 T C -0.566 174.290 174.700 0.260 0.000 0.991 636 T CA -0.624 61.738 62.100 0.436 0.000 0.964 636 T CB 0.693 69.854 68.868 0.489 0.000 0.954 636 T HN 0.286 nan 8.240 nan 0.000 0.438 637 H N 3.034 122.050 119.070 -0.090 0.000 3.001 637 H HA 0.025 4.581 4.556 0.000 0.000 0.334 637 H C 0.982 176.138 175.328 -0.287 0.000 1.034 637 H CA -0.282 55.355 56.048 -0.686 0.000 1.420 637 H CB 0.749 30.047 29.762 -0.774 0.000 1.405 637 H HN 0.548 nan 8.280 nan 0.000 0.593 638 L N 5.986 126.998 121.223 -0.351 0.000 2.081 638 L HA -0.182 4.158 4.340 0.000 0.000 0.212 638 L C 1.743 178.779 176.870 0.276 0.000 1.080 638 L CA 2.316 57.168 54.840 0.021 0.000 0.754 638 L CB -0.447 41.628 42.059 0.026 0.000 0.893 638 L HN 0.835 nan 8.230 nan 0.000 0.433 639 W N -4.824 116.621 121.300 0.241 0.000 2.661 639 W HA 0.278 4.938 4.660 0.000 0.000 0.288 639 W C 1.782 178.317 176.519 0.027 0.000 1.014 639 W CA -0.089 57.302 57.345 0.077 0.000 1.396 639 W CB -0.708 28.751 29.460 -0.001 0.000 0.963 639 W HN -0.075 nan 8.180 nan 0.000 0.584 640 H N 1.219 120.047 119.070 -0.403 0.000 2.529 640 H HA 0.027 4.583 4.556 0.000 0.000 0.277 640 H C 0.927 176.184 175.328 -0.117 0.000 0.999 640 H CA 1.169 56.969 56.048 -0.414 0.000 1.256 640 H CB -0.286 28.929 29.762 -0.912 0.000 1.402 640 H HN 0.265 nan 8.280 nan 0.000 0.566 641 N N 0.898 119.663 118.700 0.109 0.000 2.900 641 N HA -0.182 4.558 4.740 0.000 0.000 0.240 641 N C -0.477 175.123 175.510 0.150 0.000 0.953 641 N CA 1.079 54.220 53.050 0.151 0.000 0.950 641 N CB -0.965 37.597 38.487 0.125 0.000 1.102 641 N HN 0.658 nan 8.380 nan 0.000 0.593 642 D N 0.108 120.587 120.400 0.133 0.000 2.368 642 D HA 0.087 4.727 4.640 0.000 0.000 0.240 642 D C -0.062 176.390 176.300 0.253 0.000 1.169 642 D CA 0.400 54.487 54.000 0.145 0.000 0.906 642 D CB 0.785 41.645 40.800 0.100 0.000 1.187 642 D HN 0.379 nan 8.370 nan 0.000 0.435 643 E N -0.199 120.121 120.200 0.200 0.000 2.263 643 E HA 0.669 5.019 4.350 0.000 0.000 0.264 643 E C -0.615 176.052 176.600 0.112 0.000 0.923 643 E CA -0.962 55.564 56.400 0.211 0.000 0.802 643 E CB 2.284 32.075 29.700 0.152 0.000 1.228 643 E HN 0.360 nan 8.360 nan 0.000 0.417 644 L N 1.003 122.265 121.223 0.064 0.000 2.466 644 L HA 0.387 4.727 4.340 0.000 0.000 0.258 644 L C -1.098 175.785 176.870 0.021 0.000 0.973 644 L CA -1.063 53.706 54.840 -0.118 0.000 0.826 644 L CB 2.276 44.000 42.059 -0.558 0.000 1.372 644 L HN 0.401 nan 8.230 nan 0.000 0.409 645 D N 1.261 121.685 120.400 0.041 0.000 2.210 645 D HA 0.375 5.015 4.640 0.000 0.000 0.249 645 D C 0.193 176.562 176.300 0.114 0.000 1.078 645 D CA 0.021 54.079 54.000 0.097 0.000 0.875 645 D CB 2.318 43.160 40.800 0.069 0.000 1.175 645 D HN 0.661 nan 8.370 nan 0.000 0.440 646 G N -0.290 108.576 108.800 0.109 0.000 2.535 646 G HA2 0.282 4.242 3.960 0.000 0.000 0.282 646 G HA3 0.282 4.242 3.960 0.000 0.000 0.282 646 G C 0.174 174.988 174.900 -0.143 0.000 1.350 646 G CA -0.392 44.700 45.100 -0.014 0.000 1.039 646 G HN 0.481 nan 8.290 nan 0.000 0.509 647 S N -1.682 113.851 115.700 -0.278 0.000 3.635 647 S HA -0.168 4.302 4.470 0.000 0.000 0.328 647 S C 0.328 174.850 174.600 -0.130 0.000 1.135 647 S CA 1.640 59.758 58.200 -0.138 0.000 0.942 647 S CB -1.494 61.708 63.200 0.002 0.000 0.930 647 S HN 1.215 nan 8.310 nan 0.000 0.512 648 R N -2.111 118.096 120.500 -0.489 0.000 2.752 648 R HA 0.567 4.907 4.340 0.000 0.000 0.277 648 R C -1.606 174.327 176.300 -0.613 0.000 1.024 648 R CA -1.169 54.751 56.100 -0.300 0.000 0.866 648 R CB 0.255 30.385 30.300 -0.283 0.000 1.278 648 R HN 0.109 nan 8.270 nan 0.000 0.473 649 W N 0.635 121.662 121.300 -0.454 0.000 2.359 649 W HA 0.487 5.147 4.660 0.000 0.000 0.344 649 W C 0.171 176.140 176.519 -0.917 0.000 1.170 649 W CA 0.315 57.348 57.345 -0.519 0.000 1.296 649 W CB 0.967 30.283 29.460 -0.240 0.000 1.197 649 W HN 0.308 nan 8.180 nan 0.000 0.618 650 H N 1.395 120.200 119.070 -0.442 0.000 2.806 650 H HA 0.293 4.849 4.556 0.000 0.000 0.367 650 H C -1.100 173.980 175.328 -0.414 0.000 1.136 650 H CA -1.118 54.582 56.048 -0.580 0.000 1.178 650 H CB 2.362 31.492 29.762 -1.053 0.000 1.718 650 H HN 0.247 nan 8.280 nan 0.000 0.540 651 K N 2.668 123.056 120.400 -0.021 0.000 2.358 651 K HA 0.362 4.682 4.320 0.000 0.000 0.260 651 K C -0.742 175.948 176.600 0.149 0.000 0.956 651 K CA -0.317 56.016 56.287 0.077 0.000 0.834 651 K CB 1.410 33.939 32.500 0.049 0.000 1.102 651 K HN 0.626 nan 8.250 nan 0.000 0.431 652 Q N 1.425 121.385 119.800 0.267 0.000 3.146 652 Q HA 0.363 4.703 4.340 0.000 0.000 0.318 652 Q C -1.506 174.657 176.000 0.272 0.000 0.992 652 Q CA -1.063 54.919 55.803 0.297 0.000 0.809 652 Q CB 2.402 31.464 28.738 0.540 0.000 1.490 652 Q HN 0.457 nan 8.270 nan 0.000 0.493 653 Q N 0.721 120.684 119.800 0.272 0.000 2.380 653 Q HA 0.253 4.593 4.340 0.000 0.000 0.245 653 Q C -1.957 174.140 176.000 0.161 0.000 0.893 653 Q CA -0.071 55.863 55.803 0.218 0.000 0.922 653 Q CB 1.371 30.152 28.738 0.071 0.000 1.432 653 Q HN 0.764 nan 8.270 nan 0.000 0.434 654 H N 0.876 119.944 119.070 -0.004 0.000 2.731 654 H HA 0.630 5.186 4.556 0.000 0.000 0.368 654 H C 0.030 175.297 175.328 -0.101 0.000 1.168 654 H CA -0.861 55.183 56.048 -0.007 0.000 1.181 654 H CB 2.229 32.032 29.762 0.069 0.000 1.743 654 H HN 0.720 nan 8.280 nan 0.000 0.547 655 G N -0.122 108.692 108.800 0.023 0.000 2.511 655 G HA2 0.234 4.194 3.960 0.000 0.000 0.316 655 G HA3 0.234 4.194 3.960 0.000 0.000 0.316 655 G C -0.017 174.832 174.900 -0.085 0.000 1.210 655 G CA -0.583 44.418 45.100 -0.165 0.000 0.969 655 G HN 0.477 nan 8.290 nan 0.000 0.492 656 F N -0.756 119.292 119.950 0.164 0.000 2.481 656 F HA -0.005 4.522 4.527 0.000 0.000 0.297 656 F C 1.940 177.868 175.800 0.213 0.000 1.095 656 F CA 0.599 58.712 58.000 0.187 0.000 1.465 656 F CB -0.238 38.867 39.000 0.176 0.000 1.098 656 F HN 0.071 nan 8.300 nan 0.000 0.585 657 L N -1.766 119.585 121.223 0.214 0.000 2.769 657 L HA 0.231 4.571 4.340 0.000 0.000 0.240 657 L C 0.558 177.448 176.870 0.033 0.000 1.163 657 L CA 0.179 54.950 54.840 -0.116 0.000 0.962 657 L CB 0.135 41.883 42.059 -0.519 0.000 1.258 657 L HN -0.012 nan 8.230 nan 0.000 0.513 658 S N 0.276 116.253 115.700 0.461 0.000 2.579 658 S HA 0.887 5.357 4.470 0.000 0.000 0.272 658 S C -1.388 173.578 174.600 0.609 0.000 1.141 658 S CA -0.635 58.015 58.200 0.751 0.000 0.843 658 S CB 1.351 64.983 63.200 0.721 0.000 1.122 658 S HN 0.134 nan 8.310 nan 0.000 0.468 659 L N -0.727 120.812 121.223 0.526 0.000 2.775 659 L HA 0.749 5.089 4.340 0.000 0.000 0.263 659 L C -3.173 173.585 176.870 -0.186 0.000 1.017 659 L CA -2.400 52.384 54.840 -0.093 0.000 0.891 659 L CB 1.587 43.614 42.059 -0.055 0.000 1.482 659 L HN 0.344 nan 8.230 nan 0.000 0.410 660 P HA 0.201 nan 4.420 nan 0.000 0.264 660 P C -0.930 176.068 177.300 -0.503 0.000 1.229 660 P CA 0.140 62.969 63.100 -0.451 0.000 0.780 660 P CB 0.806 31.939 31.700 -0.944 0.000 0.808 661 V N 5.882 125.294 119.914 -0.836 0.000 2.380 661 V HA 0.276 4.396 4.120 0.000 0.000 0.272 661 V C -0.719 174.812 176.094 -0.938 0.000 1.011 661 V CA -0.554 61.320 62.300 -0.710 0.000 0.826 661 V CB -0.083 31.422 31.823 -0.530 0.000 1.040 661 V HN 0.389 nan 8.190 nan 0.000 0.441 662 Y N 1.968 122.019 120.300 -0.415 0.000 2.387 662 Y HA 0.677 5.227 4.550 0.000 0.000 0.336 662 Y C 0.269 176.202 175.900 0.055 0.000 1.067 662 Y CA -0.834 57.163 58.100 -0.171 0.000 1.114 662 Y CB 2.130 40.543 38.460 -0.079 0.000 1.208 662 Y HN 0.333 nan 8.280 nan 0.000 0.458 663 V N 3.986 123.968 119.914 0.113 0.000 2.472 663 V HA 0.444 4.564 4.120 0.000 0.000 0.290 663 V C 0.027 175.966 176.094 -0.258 0.000 1.037 663 V CA -1.382 60.792 62.300 -0.210 0.000 0.908 663 V CB 1.282 32.510 31.823 -0.992 0.000 0.985 663 V HN 0.716 nan 8.190 nan 0.000 0.454 664 R N 2.156 122.335 120.500 -0.536 0.000 2.694 664 R HA 0.207 4.547 4.340 0.000 0.000 0.268 664 R C -0.192 175.751 176.300 -0.595 0.000 1.061 664 R CA -0.489 54.993 56.100 -1.031 0.000 1.133 664 R CB 0.319 30.196 30.300 -0.704 0.000 1.020 664 R HN 0.914 nan 8.270 nan 0.000 0.475 665 D N 0.943 120.990 120.400 -0.589 0.000 2.371 665 D HA -0.039 4.601 4.640 0.000 0.000 0.242 665 D C -0.070 176.097 176.300 -0.220 0.000 1.218 665 D CA -0.497 53.333 54.000 -0.283 0.000 0.945 665 D CB 0.264 40.910 40.800 -0.258 0.000 1.137 665 D HN 0.503 nan 8.370 nan 0.000 0.464 666 N N -1.315 117.317 118.700 -0.113 0.000 2.725 666 N HA -0.148 4.592 4.740 0.000 0.000 0.249 666 N C -0.893 174.583 175.510 -0.057 0.000 1.103 666 N CA 0.974 53.966 53.050 -0.097 0.000 0.707 666 N CB -1.692 36.658 38.487 -0.229 0.000 1.043 666 N HN 0.562 nan 8.380 nan 0.000 0.553 667 T N 1.033 115.588 114.554 0.003 0.000 2.823 667 T HA 0.527 4.877 4.350 0.000 0.000 0.279 667 T C 0.148 174.946 174.700 0.164 0.000 0.998 667 T CA -0.549 61.567 62.100 0.027 0.000 0.994 667 T CB 2.325 71.142 68.868 -0.085 0.000 0.960 667 T HN 0.150 nan 8.240 nan 0.000 0.448 668 L N 4.707 126.004 121.223 0.122 0.000 2.356 668 L HA 0.578 4.918 4.340 0.000 0.000 0.264 668 L C -1.118 175.881 176.870 0.214 0.000 1.029 668 L CA -0.814 54.128 54.840 0.170 0.000 0.897 668 L CB 0.463 42.557 42.059 0.060 0.000 1.256 668 L HN 0.515 nan 8.230 nan 0.000 0.444 669 L N 4.303 125.704 121.223 0.296 0.000 2.312 669 L HA 0.817 5.157 4.340 0.000 0.000 0.281 669 L C -0.047 177.012 176.870 0.316 0.000 1.070 669 L CA 0.021 54.984 54.840 0.205 0.000 0.805 669 L CB 1.396 43.514 42.059 0.099 0.000 1.174 669 L HN 0.681 nan 8.230 nan 0.000 0.434 670 A N 5.628 128.584 122.820 0.227 0.000 2.271 670 A HA 0.717 5.037 4.320 0.000 0.000 0.317 670 A C -1.137 176.469 177.584 0.037 0.000 1.245 670 A CA -0.492 51.596 52.037 0.084 0.000 0.857 670 A CB 0.443 19.473 19.000 0.050 0.000 1.175 670 A HN 0.584 nan 8.150 nan 0.000 0.512 671 L N 1.770 123.012 121.223 0.031 0.000 2.330 671 L HA 0.755 5.095 4.340 0.000 0.000 0.271 671 L C 0.948 177.867 176.870 0.082 0.000 1.013 671 L CA 0.075 54.962 54.840 0.078 0.000 0.816 671 L CB 1.846 43.974 42.059 0.116 0.000 1.287 671 L HN 0.790 nan 8.230 nan 0.000 0.435 672 G N -0.235 108.676 108.800 0.185 0.000 2.491 672 G HA2 0.388 4.348 3.960 0.000 0.000 0.327 672 G HA3 0.388 4.348 3.960 0.000 0.000 0.327 672 G C 0.158 175.157 174.900 0.166 0.000 1.189 672 G CA -0.457 44.837 45.100 0.323 0.000 0.956 672 G HN 0.742 nan 8.290 nan 0.000 0.491 673 N N -0.652 118.106 118.700 0.097 0.000 2.268 673 N HA 0.019 4.759 4.740 0.000 0.000 0.204 673 N C -0.033 175.350 175.510 -0.212 0.000 1.124 673 N CA -0.419 52.606 53.050 -0.042 0.000 0.838 673 N CB 0.402 38.877 38.487 -0.021 0.000 0.994 673 N HN 0.287 nan 8.380 nan 0.000 0.489 674 N N 1.108 119.530 118.700 -0.464 0.000 2.483 674 N HA 0.066 4.806 4.740 0.000 0.000 0.267 674 N C -1.085 174.229 175.510 -0.327 0.000 0.998 674 N CA -0.319 52.364 53.050 -0.611 0.000 0.918 674 N CB 1.253 38.958 38.487 -1.303 0.000 1.215 674 N HN 0.209 nan 8.380 nan 0.000 0.500 675 D N 2.084 122.391 120.400 -0.155 0.000 2.463 675 D HA 0.082 4.722 4.640 0.000 0.000 0.224 675 D C 0.188 176.487 176.300 -0.002 0.000 1.174 675 D CA 0.202 54.169 54.000 -0.056 0.000 0.829 675 D CB 0.526 41.280 40.800 -0.078 0.000 0.993 675 D HN 0.366 nan 8.370 nan 0.000 0.497 676 Q N 0.308 120.110 119.800 0.002 0.000 2.322 676 Q HA 0.173 4.513 4.340 0.000 0.000 0.250 676 Q C 0.438 176.592 176.000 0.256 0.000 0.853 676 Q CA 0.344 56.200 55.803 0.088 0.000 0.951 676 Q CB 1.626 30.377 28.738 0.022 0.000 1.114 676 Q HN 0.505 nan 8.270 nan 0.000 0.523 677 R N -0.508 120.118 120.500 0.209 0.000 2.680 677 R HA 0.383 4.723 4.340 0.000 0.000 0.269 677 R C -2.629 173.839 176.300 0.279 0.000 1.026 677 R CA -1.328 54.918 56.100 0.244 0.000 0.889 677 R CB 1.249 31.705 30.300 0.260 0.000 1.241 677 R HN -0.311 nan 8.270 nan 0.000 0.463 678 P HA -0.041 nan 4.420 nan 0.000 0.235 678 P C -0.753 176.746 177.300 0.331 0.000 1.177 678 P CA 0.818 64.075 63.100 0.262 0.000 0.785 678 P CB 0.153 31.933 31.700 0.135 0.000 0.885 679 D N 0.783 121.326 120.400 0.239 0.000 2.427 679 D HA 0.233 4.873 4.640 0.000 0.000 0.226 679 D C -0.250 176.016 176.300 -0.057 0.000 1.076 679 D CA -0.793 53.205 54.000 -0.003 0.000 0.849 679 D CB 0.377 41.206 40.800 0.050 0.000 1.052 679 D HN 0.249 nan 8.370 nan 0.000 0.515 680 Y N -1.434 118.543 120.300 -0.539 0.000 2.725 680 Y HA 0.382 4.932 4.550 0.000 0.000 0.333 680 Y C -1.028 174.408 175.900 -0.773 0.000 1.242 680 Y CA -1.752 56.067 58.100 -0.468 0.000 1.059 680 Y CB 0.914 39.257 38.460 -0.195 0.000 1.306 680 Y HN 0.040 nan 8.280 nan 0.000 0.454 681 V N 4.030 123.823 119.914 -0.202 0.000 2.359 681 V HA -0.010 4.110 4.120 0.000 0.000 0.248 681 V C 0.001 176.095 176.094 -0.001 0.000 1.091 681 V CA -0.095 62.098 62.300 -0.179 0.000 1.103 681 V CB -0.733 31.012 31.823 -0.131 0.000 1.176 681 V HN 0.820 nan 8.190 nan 0.000 0.488 682 W N 5.013 126.339 121.300 0.044 0.000 2.465 682 W HA -0.042 4.618 4.660 0.000 0.000 0.268 682 W C 1.770 178.366 176.519 0.127 0.000 1.242 682 W CA 0.994 58.346 57.345 0.011 0.000 1.248 682 W CB -0.680 28.707 29.460 -0.121 0.000 1.118 682 W HN 0.974 nan 8.180 nan 0.000 0.587 683 H N -0.760 118.436 119.070 0.210 0.000 2.605 683 H HA 0.429 4.985 4.556 0.000 0.000 0.308 683 H C -0.827 174.549 175.328 0.080 0.000 1.080 683 H CA 0.199 56.326 56.048 0.132 0.000 1.119 683 H CB -0.737 29.097 29.762 0.119 0.000 1.479 683 H HN 0.117 nan 8.280 nan 0.000 0.537 684 E N -0.004 120.156 120.200 -0.065 0.000 2.378 684 E HA 0.378 4.728 4.350 0.000 0.000 0.282 684 E C -0.196 176.419 176.600 0.025 0.000 0.910 684 E CA -0.258 56.096 56.400 -0.078 0.000 0.816 684 E CB 1.651 31.227 29.700 -0.206 0.000 1.359 684 E HN 0.503 nan 8.360 nan 0.000 0.397 685 G N 2.559 111.397 108.800 0.063 0.000 2.159 685 G HA2 -0.264 3.696 3.960 0.000 0.000 0.227 685 G HA3 -0.264 3.696 3.960 0.000 0.000 0.227 685 G C 0.436 175.382 174.900 0.077 0.000 0.986 685 G CA 0.033 45.170 45.100 0.062 0.000 0.651 685 G HN 0.460 nan 8.290 nan 0.000 0.523 686 T N 1.071 115.669 114.554 0.073 0.000 2.933 686 T HA 0.420 4.771 4.350 0.000 0.000 0.306 686 T C 0.665 175.307 174.700 -0.096 0.000 1.045 686 T CA 0.990 63.036 62.100 -0.090 0.000 1.143 686 T CB 1.460 70.124 68.868 -0.341 0.000 1.003 686 T HN 1.549 nan 8.240 nan 0.000 0.540 687 A N 3.823 126.560 122.820 -0.138 0.000 2.508 687 A HA 0.611 4.931 4.320 0.000 0.000 0.336 687 A C -0.251 177.305 177.584 -0.046 0.000 1.360 687 A CA -0.766 51.260 52.037 -0.020 0.000 0.841 687 A CB -0.197 18.870 19.000 0.112 0.000 1.136 687 A HN 0.666 nan 8.150 nan 0.000 0.489 688 F N 1.590 121.609 119.950 0.114 0.000 2.459 688 F HA 0.311 4.838 4.527 0.000 0.000 0.346 688 F C 1.107 176.842 175.800 -0.109 0.000 1.128 688 F CA 0.797 58.857 58.000 0.099 0.000 1.268 688 F CB 0.711 39.763 39.000 0.086 0.000 1.161 688 F HN 0.469 nan 8.300 nan 0.000 0.583 689 H N 3.240 122.470 119.070 0.268 0.000 2.924 689 H HA 0.267 4.824 4.556 0.000 0.000 0.333 689 H C -1.230 174.111 175.328 0.022 0.000 0.979 689 H CA -0.893 55.187 56.048 0.054 0.000 1.326 689 H CB 2.077 31.838 29.762 -0.002 0.000 1.600 689 H HN 0.385 nan 8.280 nan 0.000 0.520 690 L N 3.725 124.941 121.223 -0.011 0.000 2.305 690 L HA 0.341 4.681 4.340 0.000 0.000 0.281 690 L C -1.225 175.568 176.870 -0.129 0.000 1.085 690 L CA 0.014 54.869 54.840 0.024 0.000 0.813 690 L CB 0.038 42.105 42.059 0.013 0.000 1.157 690 L HN 0.345 nan 8.230 nan 0.000 0.436 691 F N 4.236 124.208 119.950 0.037 0.000 2.460 691 F HA 0.368 4.895 4.527 0.000 0.000 0.341 691 F C 0.533 176.321 175.800 -0.020 0.000 1.130 691 F CA -0.934 57.074 58.000 0.014 0.000 0.962 691 F CB 0.897 39.889 39.000 -0.015 0.000 1.171 691 F HN 0.500 nan 8.300 nan 0.000 0.436 692 N N 3.118 121.898 118.700 0.134 0.000 2.722 692 N HA -0.252 4.488 4.740 0.000 0.000 0.274 692 N C -0.532 175.005 175.510 0.044 0.000 0.987 692 N CA 0.503 53.595 53.050 0.071 0.000 0.817 692 N CB -0.516 38.005 38.487 0.056 0.000 0.921 692 N HN 0.623 nan 8.380 nan 0.000 0.565 693 L N 0.963 122.216 121.223 0.050 0.000 2.456 693 L HA 0.021 4.361 4.340 0.000 0.000 0.277 693 L C 0.779 177.697 176.870 0.079 0.000 1.124 693 L CA -0.114 54.759 54.840 0.055 0.000 0.880 693 L CB 0.275 42.365 42.059 0.051 0.000 1.192 693 L HN 0.298 nan 8.230 nan 0.000 0.463 694 Q N 2.691 122.574 119.800 0.138 0.000 2.317 694 Q HA 0.109 4.449 4.340 0.000 0.000 0.229 694 Q C -0.528 175.555 176.000 0.140 0.000 0.984 694 Q CA -0.622 55.292 55.803 0.185 0.000 0.911 694 Q CB 0.998 29.937 28.738 0.335 0.000 1.217 694 Q HN 0.560 nan 8.270 nan 0.000 0.501 695 D N -0.617 119.812 120.400 0.048 0.000 2.450 695 D HA 0.192 4.832 4.640 0.000 0.000 0.247 695 D C 0.801 177.020 176.300 -0.135 0.000 1.162 695 D CA 1.694 55.681 54.000 -0.023 0.000 0.879 695 D CB 0.183 40.970 40.800 -0.023 0.000 1.163 695 D HN 0.658 nan 8.370 nan 0.000 0.472 696 G N 3.125 111.849 108.800 -0.128 0.000 2.234 696 G HA2 -0.227 3.733 3.960 0.000 0.000 0.235 696 G HA3 -0.227 3.733 3.960 0.000 0.000 0.235 696 G C 0.356 175.116 174.900 -0.232 0.000 0.997 696 G CA 0.157 45.133 45.100 -0.205 0.000 0.623 696 G HN 0.690 nan 8.290 nan 0.000 0.514 697 H N 0.768 119.831 119.070 -0.012 0.000 2.495 697 H HA 0.701 5.257 4.556 0.000 0.000 0.350 697 H C -0.087 175.231 175.328 -0.017 0.000 1.202 697 H CA 0.299 56.338 56.048 -0.015 0.000 1.322 697 H CB 1.596 31.348 29.762 -0.016 0.000 1.544 697 H HN 0.486 nan 8.280 nan 0.000 0.565 698 E N 0.250 120.528 120.200 0.130 0.000 2.275 698 E HA 0.572 4.922 4.350 0.000 0.000 0.270 698 E C -1.643 174.971 176.600 0.023 0.000 0.882 698 E CA -1.011 55.418 56.400 0.047 0.000 0.758 698 E CB 1.787 31.497 29.700 0.016 0.000 1.195 698 E HN 0.694 nan 8.360 nan 0.000 0.419 699 A N 3.542 126.364 122.820 0.002 0.000 2.303 699 A HA 0.612 4.933 4.320 0.000 0.000 0.320 699 A C -0.940 176.621 177.584 -0.038 0.000 1.192 699 A CA -0.567 51.463 52.037 -0.012 0.000 0.821 699 A CB 1.198 20.203 19.000 0.008 0.000 1.188 699 A HN 0.349 nan 8.150 nan 0.000 0.492 700 V N 0.995 120.884 119.914 -0.042 0.000 2.667 700 V HA 0.620 4.740 4.120 0.000 0.000 0.308 700 V C -0.284 175.780 176.094 -0.049 0.000 1.048 700 V CA -0.590 61.667 62.300 -0.070 0.000 0.928 700 V CB 1.548 33.330 31.823 -0.068 0.000 1.004 700 V HN 1.077 nan 8.190 nan 0.000 0.444 701 C N 3.981 123.230 119.300 -0.085 0.000 2.516 701 C HA 0.599 5.059 4.460 0.000 0.000 0.338 701 C C -0.563 174.406 174.990 -0.035 0.000 1.132 701 C CA -0.379 58.634 59.018 -0.007 0.000 1.310 701 C CB 0.470 28.247 27.740 0.061 0.000 1.898 701 C HN 1.019 nan 8.230 nan 0.000 0.452 702 E N 4.025 124.237 120.200 0.019 0.000 2.145 702 E HA 0.495 4.845 4.350 0.000 0.000 0.270 702 E C -0.937 175.716 176.600 0.089 0.000 0.906 702 E CA -0.496 55.911 56.400 0.011 0.000 0.761 702 E CB 2.072 31.762 29.700 -0.017 0.000 1.116 702 E HN 0.553 nan 8.360 nan 0.000 0.408 703 V N 5.731 125.740 119.914 0.158 0.000 2.383 703 V HA 0.299 4.420 4.120 0.000 0.000 0.275 703 V C -1.949 174.245 176.094 0.167 0.000 1.036 703 V CA -1.722 60.703 62.300 0.207 0.000 0.889 703 V CB 1.073 33.116 31.823 0.366 0.000 0.985 703 V HN 0.590 nan 8.190 nan 0.000 0.459 704 P HA 0.460 nan 4.420 nan 0.000 0.284 704 P C -0.525 176.965 177.300 0.317 0.000 1.258 704 P CA -0.304 62.907 63.100 0.185 0.000 0.824 704 P CB 1.881 33.676 31.700 0.159 0.000 1.038 705 A N 2.114 125.066 122.820 0.219 0.000 2.250 705 A HA 0.532 4.852 4.320 0.000 0.000 0.283 705 A C 1.774 179.533 177.584 0.293 0.000 1.206 705 A CA 0.267 52.397 52.037 0.154 0.000 0.840 705 A CB -0.703 18.321 19.000 0.040 0.000 1.220 705 A HN 0.514 nan 8.150 nan 0.000 0.505 706 A N -0.189 122.699 122.820 0.113 0.000 1.908 706 A HA -0.145 4.175 4.320 0.000 0.000 0.218 706 A C 1.301 179.037 177.584 0.254 0.000 1.181 706 A CA 2.184 54.267 52.037 0.078 0.000 0.627 706 A CB -0.902 18.065 19.000 -0.056 0.000 0.818 706 A HN 0.888 nan 8.150 nan 0.000 0.445 707 D N -1.965 118.557 120.400 0.204 0.000 2.332 707 D HA 0.300 4.940 4.640 0.000 0.000 0.244 707 D C 1.129 177.564 176.300 0.226 0.000 1.136 707 D CA 0.868 54.989 54.000 0.201 0.000 0.884 707 D CB -0.726 40.143 40.800 0.116 0.000 0.906 707 D HN 0.743 nan 8.370 nan 0.000 0.520 708 G N 0.006 109.015 108.800 0.349 0.000 2.212 708 G HA2 -0.327 3.633 3.960 0.000 0.000 0.266 708 G HA3 -0.327 3.633 3.960 0.000 0.000 0.266 708 G C 0.504 175.460 174.900 0.093 0.000 0.978 708 G CA 0.562 45.773 45.100 0.186 0.000 0.632 708 G HN 0.882 nan 8.290 nan 0.000 0.537 709 S N -0.465 115.294 115.700 0.099 0.000 2.592 709 S HA 0.620 5.090 4.470 0.000 0.000 0.271 709 S C 0.413 175.049 174.600 0.061 0.000 1.326 709 S CA -0.206 58.028 58.200 0.057 0.000 1.024 709 S CB 2.256 65.485 63.200 0.048 0.000 0.921 709 S HN 1.000 nan 8.310 nan 0.000 0.527 710 V N 3.228 123.163 119.914 0.035 0.000 2.470 710 V HA 0.169 4.289 4.120 0.000 0.000 0.276 710 V C 1.027 177.147 176.094 0.044 0.000 1.040 710 V CA 0.023 62.346 62.300 0.038 0.000 1.008 710 V CB 0.538 32.367 31.823 0.009 0.000 0.990 710 V HN 0.990 nan 8.190 nan 0.000 0.477 711 I N 4.527 125.136 120.570 0.064 0.000 3.854 711 I HA 0.341 4.511 4.170 0.000 0.000 0.312 711 I C -0.177 176.049 176.117 0.180 0.000 1.273 711 I CA 0.380 61.711 61.300 0.052 0.000 1.298 711 I CB 0.518 38.460 38.000 -0.096 0.000 1.071 711 I HN 0.555 nan 8.210 nan 0.000 0.428 712 F N 0.437 120.390 119.950 0.006 0.000 2.623 712 F HA 0.399 4.926 4.527 0.000 0.000 0.323 712 F C -1.106 174.685 175.800 -0.015 0.000 1.158 712 F CA -0.505 57.502 58.000 0.012 0.000 1.030 712 F CB 1.400 40.436 39.000 0.060 0.000 1.280 712 F HN -0.349 nan 8.300 nan 0.000 0.474 713 T N 6.882 121.007 114.554 -0.716 0.000 2.797 713 T HA 0.640 4.990 4.350 0.000 0.000 0.279 713 T C -1.478 172.617 174.700 -1.009 0.000 0.991 713 T CA -0.479 61.245 62.100 -0.627 0.000 0.979 713 T CB 1.552 70.218 68.868 -0.337 0.000 0.943 713 T HN 0.524 nan 8.240 nan 0.000 0.444 714 L N 3.629 124.376 121.223 -0.792 0.000 2.349 714 L HA 0.565 4.905 4.340 0.000 0.000 0.278 714 L C -0.712 175.898 176.870 -0.432 0.000 0.996 714 L CA -0.340 54.038 54.840 -0.771 0.000 0.825 714 L CB 1.026 42.449 42.059 -1.062 0.000 1.243 714 L HN 0.502 nan 8.230 nan 0.000 0.412 715 K N 3.978 124.192 120.400 -0.309 0.000 2.259 715 K HA 0.897 5.217 4.320 0.000 0.000 0.249 715 K C -1.155 175.370 176.600 -0.125 0.000 0.942 715 K CA -0.852 55.326 56.287 -0.181 0.000 0.816 715 K CB 2.161 34.579 32.500 -0.136 0.000 1.155 715 K HN 0.619 nan 8.250 nan 0.000 0.428 716 A N 1.520 124.292 122.820 -0.079 0.000 2.375 716 A HA 0.682 5.002 4.320 0.000 0.000 0.291 716 A C -1.211 176.364 177.584 -0.015 0.000 1.160 716 A CA -0.619 51.395 52.037 -0.039 0.000 0.747 716 A CB 1.195 20.178 19.000 -0.027 0.000 1.170 716 A HN 0.685 nan 8.150 nan 0.000 0.458 717 A N 2.523 125.338 122.820 -0.009 0.000 2.331 717 A HA 0.777 5.097 4.320 0.000 0.000 0.320 717 A C -0.031 177.557 177.584 0.006 0.000 1.138 717 A CA -0.664 51.373 52.037 0.001 0.000 0.790 717 A CB 0.777 19.772 19.000 -0.008 0.000 1.206 717 A HN 0.860 nan 8.150 nan 0.000 0.470 718 R N 2.117 122.624 120.500 0.012 0.000 2.246 718 R HA 0.352 4.692 4.340 0.000 0.000 0.332 718 R C 0.664 176.960 176.300 -0.007 0.000 0.974 718 R CA 0.275 56.380 56.100 0.009 0.000 0.837 718 R CB 1.008 31.321 30.300 0.022 0.000 1.145 718 R HN 0.804 nan 8.270 nan 0.000 0.467 719 T N 1.164 115.712 114.554 -0.009 0.000 2.937 719 T HA 0.174 4.524 4.350 0.000 0.000 0.260 719 T C 0.869 175.558 174.700 -0.018 0.000 1.051 719 T CA 1.587 63.677 62.100 -0.017 0.000 1.141 719 T CB 0.233 69.094 68.868 -0.012 0.000 0.879 719 T HN 0.750 nan 8.240 nan 0.000 0.459 720 G N -0.291 108.502 108.800 -0.010 0.000 3.791 720 G HA2 0.171 4.131 3.960 0.000 0.000 0.176 720 G HA3 0.171 4.131 3.960 0.000 0.000 0.176 720 G C 0.638 175.537 174.900 -0.002 0.000 1.298 720 G CA 0.086 45.181 45.100 -0.009 0.000 0.928 720 G HN 0.323 nan 8.290 nan 0.000 0.546 721 N N 0.000 118.701 118.700 0.000 0.000 2.116 721 N HA 0.273 5.013 4.740 0.000 0.000 0.230 721 N C -0.936 174.578 175.510 0.005 0.000 1.326 721 N CA 0.066 53.118 53.050 0.004 0.000 0.867 721 N CB 1.675 40.165 38.487 0.004 0.000 1.174 721 N HN 0.157 nan 8.380 nan 0.000 0.506 722 T N 1.953 116.510 114.554 0.004 0.000 2.842 722 T HA 0.439 4.789 4.350 0.000 0.000 0.308 722 T C -0.047 174.657 174.700 0.007 0.000 1.041 722 T CA -0.494 61.610 62.100 0.005 0.000 0.964 722 T CB 0.388 69.258 68.868 0.004 0.000 0.972 722 T HN 0.073 nan 8.240 nan 0.000 0.460 723 I N 1.388 121.965 120.570 0.011 0.000 2.312 723 I HA 0.453 4.623 4.170 0.000 0.000 0.291 723 I C 0.163 176.288 176.117 0.014 0.000 1.031 723 I CA -0.662 60.645 61.300 0.012 0.000 1.293 723 I CB 0.610 38.620 38.000 0.016 0.000 1.403 723 I HN 0.277 nan 8.210 nan 0.000 0.484 724 T N 5.845 120.404 114.554 0.009 0.000 2.856 724 T HA 0.433 4.783 4.350 0.000 0.000 0.292 724 T C 0.097 174.803 174.700 0.010 0.000 0.980 724 T CA -0.333 61.773 62.100 0.011 0.000 1.091 724 T CB 1.871 70.742 68.868 0.005 0.000 0.936 724 T HN 0.435 nan 8.240 nan 0.000 0.503 725 V N 4.031 123.960 119.914 0.026 0.000 2.407 725 V HA 0.594 4.714 4.120 0.000 0.000 0.291 725 V C 0.296 176.413 176.094 0.039 0.000 1.018 725 V CA -0.909 61.408 62.300 0.028 0.000 0.842 725 V CB 1.481 33.354 31.823 0.083 0.000 0.996 725 V HN 1.111 nan 8.190 nan 0.000 0.426 726 T N 1.368 115.912 114.554 -0.018 0.000 2.876 726 T HA 0.867 5.217 4.350 0.000 0.000 0.289 726 T C -0.105 174.534 174.700 -0.102 0.000 1.014 726 T CA -0.469 61.622 62.100 -0.015 0.000 0.986 726 T CB 2.022 70.873 68.868 -0.029 0.000 1.021 726 T HN 0.928 nan 8.240 nan 0.000 0.458 727 G N 0.247 109.025 108.800 -0.038 0.000 2.519 727 G HA2 0.807 4.767 3.960 0.000 0.000 0.307 727 G HA3 0.807 4.767 3.960 0.000 0.000 0.307 727 G C -1.275 173.573 174.900 -0.087 0.000 1.266 727 G CA -0.861 44.115 45.100 -0.208 0.000 0.970 727 G HN 1.204 nan 8.290 nan 0.000 0.481 728 A N -0.150 122.495 122.820 -0.291 0.000 2.455 728 A HA 1.028 5.348 4.320 0.000 0.000 0.300 728 A C 0.456 178.102 177.584 0.103 0.000 1.040 728 A CA 0.476 52.492 52.037 -0.035 0.000 0.697 728 A CB 1.393 20.344 19.000 -0.083 0.000 1.265 728 A HN 2.643 nan 8.150 nan 0.000 0.407 729 G N 0.716 109.664 108.800 0.246 0.000 2.545 729 G HA2 0.158 4.118 3.960 0.000 0.000 0.211 729 G HA3 0.158 4.118 3.960 0.000 0.000 0.211 729 G C -0.258 174.847 174.900 0.341 0.000 1.167 729 G CA 0.210 45.484 45.100 0.289 0.000 1.151 729 G HN 1.477 nan 8.290 nan 0.000 0.581 730 E N 0.247 120.646 120.200 0.332 0.000 2.256 730 E HA 0.677 5.027 4.350 0.000 0.000 0.268 730 E C -0.577 176.048 176.600 0.041 0.000 0.877 730 E CA -0.314 56.195 56.400 0.182 0.000 0.757 730 E CB 1.594 31.399 29.700 0.176 0.000 1.183 730 E HN 2.001 nan 8.360 nan 0.000 0.418 731 A N 3.508 126.248 122.820 -0.133 0.000 2.582 731 A HA 0.603 4.923 4.320 0.000 0.000 0.297 731 A C -1.779 175.814 177.584 0.015 0.000 1.059 731 A CA -0.889 51.009 52.037 -0.232 0.000 0.705 731 A CB 1.656 19.952 19.000 -1.173 0.000 1.279 731 A HN 0.450 nan 8.150 nan 0.000 0.404 732 K N 1.306 121.748 120.400 0.071 0.000 2.371 732 K HA 0.598 4.918 4.320 0.000 0.000 0.251 732 K C 0.189 176.844 176.600 0.092 0.000 0.934 732 K CA -0.473 55.856 56.287 0.070 0.000 0.798 732 K CB 1.378 33.873 32.500 -0.007 0.000 1.204 732 K HN 0.796 nan 8.250 nan 0.000 0.427 733 N N 2.747 121.450 118.700 0.004 0.000 2.688 733 N HA -0.154 4.586 4.740 0.000 0.000 0.258 733 N C -1.263 174.286 175.510 0.065 0.000 1.016 733 N CA 0.482 53.511 53.050 -0.034 0.000 0.747 733 N CB -0.049 38.426 38.487 -0.019 0.000 0.895 733 N HN 0.574 nan 8.380 nan 0.000 0.543 734 W N 0.314 121.638 121.300 0.039 0.000 2.578 734 W HA 0.650 5.310 4.660 0.000 0.000 0.346 734 W C -0.453 176.150 176.519 0.140 0.000 1.075 734 W CA -0.772 56.639 57.345 0.111 0.000 1.233 734 W CB 0.462 30.088 29.460 0.276 0.000 1.358 734 W HN -0.091 nan 8.180 nan 0.000 0.574 735 T N 3.587 118.422 114.554 0.469 0.000 2.952 735 T HA 0.536 4.886 4.350 0.000 0.000 0.286 735 T C -1.051 173.955 174.700 0.510 0.000 1.024 735 T CA -0.669 61.615 62.100 0.307 0.000 1.029 735 T CB 1.408 70.347 68.868 0.118 0.000 1.094 735 T HN 0.361 nan 8.240 nan 0.000 0.515 736 L N 2.416 123.816 121.223 0.295 0.000 2.491 736 L HA 0.525 4.865 4.340 0.000 0.000 0.267 736 L C -1.151 175.741 176.870 0.036 0.000 0.971 736 L CA -0.570 54.420 54.840 0.249 0.000 0.857 736 L CB 0.871 43.127 42.059 0.327 0.000 1.226 736 L HN 0.843 nan 8.230 nan 0.000 0.408 737 C N 6.757 125.983 119.300 -0.122 0.000 2.273 737 C HA 0.497 4.957 4.460 0.000 0.000 0.328 737 C C 0.370 175.294 174.990 -0.110 0.000 1.275 737 C CA -0.754 58.170 59.018 -0.157 0.000 1.704 737 C CB -0.023 27.530 27.740 -0.311 0.000 2.326 737 C HN 0.730 nan 8.230 nan 0.000 0.517 738 L N 7.914 129.102 121.223 -0.059 0.000 2.401 738 L HA 0.309 4.649 4.340 0.000 0.000 0.283 738 L C 0.601 177.429 176.870 -0.072 0.000 1.151 738 L CA -0.142 54.666 54.840 -0.054 0.000 0.942 738 L CB -0.383 41.664 42.059 -0.020 0.000 1.283 738 L HN 0.624 nan 8.230 nan 0.000 0.442 739 R N 3.901 124.312 120.500 -0.148 0.000 2.502 739 R HA -0.041 4.299 4.340 0.000 0.000 0.292 739 R C 0.702 176.964 176.300 -0.063 0.000 0.998 739 R CA 0.120 56.123 56.100 -0.161 0.000 1.056 739 R CB -0.144 29.884 30.300 -0.453 0.000 0.939 739 R HN 0.612 nan 8.270 nan 0.000 0.411 740 N N -0.027 118.664 118.700 -0.014 0.000 2.800 740 N HA -0.172 4.568 4.740 0.000 0.000 0.250 740 N C -0.916 174.602 175.510 0.013 0.000 1.078 740 N CA 0.991 54.051 53.050 0.017 0.000 0.804 740 N CB -0.678 37.833 38.487 0.039 0.000 1.135 740 N HN 0.261 nan 8.380 nan 0.000 0.565 741 V N 1.945 121.861 119.914 0.002 0.000 2.257 741 V HA 0.148 4.268 4.120 0.000 0.000 0.269 741 V C 1.832 177.930 176.094 0.007 0.000 1.040 741 V CA -0.232 62.071 62.300 0.005 0.000 0.813 741 V CB 1.300 33.123 31.823 -0.001 0.000 1.065 741 V HN 0.131 nan 8.190 nan 0.000 0.457 742 V N 1.966 121.887 119.914 0.011 0.000 2.261 742 V HA 0.022 4.142 4.120 0.000 0.000 0.246 742 V C 0.880 176.979 176.094 0.009 0.000 1.047 742 V CA 1.304 63.611 62.300 0.012 0.000 1.015 742 V CB -0.299 31.533 31.823 0.014 0.000 0.642 742 V HN 0.673 nan 8.190 nan 0.000 0.446 743 K N -0.914 119.491 120.400 0.008 0.000 2.435 743 K HA 0.671 4.991 4.320 0.000 0.000 0.251 743 K C -1.631 174.973 176.600 0.007 0.000 0.954 743 K CA -0.534 55.757 56.287 0.007 0.000 0.820 743 K CB 2.821 35.325 32.500 0.007 0.000 1.292 743 K HN 0.148 nan 8.250 nan 0.000 0.436 744 V N 2.160 122.077 119.914 0.005 0.000 3.046 744 V HA 0.271 4.391 4.120 0.000 0.000 0.316 744 V C 0.439 176.536 176.094 0.005 0.000 1.104 744 V CA -0.484 61.820 62.300 0.006 0.000 1.006 744 V CB 1.868 33.695 31.823 0.006 0.000 1.058 744 V HN 1.044 nan 8.190 nan 0.000 0.440 745 N N 2.413 121.116 118.700 0.005 0.000 2.158 745 N HA 0.246 4.987 4.740 0.000 0.000 0.190 745 N C 0.691 176.203 175.510 0.003 0.000 1.060 745 N CA 1.523 54.575 53.050 0.004 0.000 0.872 745 N CB -0.368 38.121 38.487 0.004 0.000 1.055 745 N HN 0.864 nan 8.380 nan 0.000 0.452 746 G N -0.765 108.037 108.800 0.004 0.000 2.642 746 G HA2 0.619 4.579 3.960 0.000 0.000 0.291 746 G HA3 0.619 4.579 3.960 0.000 0.000 0.291 746 G C -1.474 173.428 174.900 0.003 0.000 1.345 746 G CA -0.476 44.626 45.100 0.003 0.000 1.043 746 G HN 0.384 nan 8.290 nan 0.000 0.528 747 L N -0.623 120.602 121.223 0.002 0.000 3.055 747 L HA 0.237 4.577 4.340 0.000 0.000 0.261 747 L C -1.459 175.412 176.870 0.001 0.000 0.939 747 L CA -0.709 54.132 54.840 0.003 0.000 1.091 747 L CB 1.876 43.935 42.059 -0.000 0.000 1.690 747 L HN 0.391 nan 8.230 nan 0.000 0.520 748 Q N 2.467 122.269 119.800 0.004 0.000 2.256 748 Q HA 0.329 4.669 4.340 0.000 0.000 0.257 748 Q C -0.622 175.379 176.000 0.002 0.000 0.936 748 Q CA -0.361 55.444 55.803 0.003 0.000 0.903 748 Q CB 1.810 30.553 28.738 0.007 0.000 1.263 748 Q HN 0.660 nan 8.270 nan 0.000 0.440 749 D N 0.814 121.212 120.400 -0.004 0.000 2.689 749 D HA -0.138 4.502 4.640 0.000 0.000 0.237 749 D C -0.157 176.128 176.300 -0.025 0.000 1.148 749 D CA 1.580 55.574 54.000 -0.010 0.000 0.656 749 D CB -0.937 39.863 40.800 0.001 0.000 1.050 749 D HN 0.779 nan 8.370 nan 0.000 0.426 750 G N -1.351 107.432 108.800 -0.029 0.000 2.616 750 G HA2 0.556 4.516 3.960 0.000 0.000 0.294 750 G HA3 0.556 4.516 3.960 0.000 0.000 0.294 750 G C -0.592 174.285 174.900 -0.039 0.000 1.489 750 G CA -0.209 44.864 45.100 -0.046 0.000 0.836 750 G HN 0.472 nan 8.290 nan 0.000 0.527 751 S N -0.314 115.355 115.700 -0.051 0.000 2.690 751 S HA 0.847 5.317 4.470 0.000 0.000 0.291 751 S C -0.176 174.404 174.600 -0.032 0.000 1.138 751 S CA -0.493 57.684 58.200 -0.039 0.000 1.013 751 S CB 1.862 65.036 63.200 -0.045 0.000 1.053 751 S HN 1.101 nan 8.310 nan 0.000 0.539 752 Q N 0.087 119.873 119.800 -0.022 0.000 2.495 752 Q HA 0.868 5.208 4.340 0.000 0.000 0.287 752 Q C -1.201 174.791 176.000 -0.012 0.000 1.078 752 Q CA -1.559 54.235 55.803 -0.016 0.000 0.793 752 Q CB 1.979 30.711 28.738 -0.009 0.000 1.459 752 Q HN 1.092 nan 8.270 nan 0.000 0.422 753 A N 0.628 123.443 122.820 -0.008 0.000 2.586 753 A HA 0.585 4.905 4.320 0.000 0.000 0.290 753 A C -1.520 176.064 177.584 0.000 0.000 1.086 753 A CA -0.832 51.202 52.037 -0.004 0.000 0.665 753 A CB 1.644 20.640 19.000 -0.006 0.000 1.279 753 A HN 0.759 nan 8.150 nan 0.000 0.423 754 E N -0.073 120.130 120.200 0.004 0.000 2.254 754 E HA 0.731 5.081 4.350 0.000 0.000 0.258 754 E C -0.379 176.230 176.600 0.015 0.000 1.033 754 E CA -0.337 56.068 56.400 0.009 0.000 0.893 754 E CB 1.730 31.436 29.700 0.011 0.000 1.204 754 E HN 0.936 nan 8.360 nan 0.000 0.425 755 S N -0.856 114.856 115.700 0.021 0.000 2.565 755 S HA 0.071 4.541 4.470 0.000 0.000 0.274 755 S C 0.273 174.895 174.600 0.037 0.000 1.144 755 S CA -0.879 57.340 58.200 0.032 0.000 0.849 755 S CB 1.502 64.726 63.200 0.039 0.000 1.103 755 S HN 0.663 nan 8.310 nan 0.000 0.455 756 E N 0.296 120.524 120.200 0.046 0.000 2.472 756 E HA -0.099 4.251 4.350 0.000 0.000 0.200 756 E C 0.882 177.516 176.600 0.056 0.000 1.046 756 E CA 0.945 57.375 56.400 0.049 0.000 0.871 756 E CB 0.010 29.743 29.700 0.055 0.000 0.806 756 E HN 0.702 nan 8.360 nan 0.000 0.533 757 Q N -0.748 119.089 119.800 0.063 0.000 2.352 757 Q HA 0.231 4.571 4.340 0.000 0.000 0.212 757 Q C 0.486 176.509 176.000 0.039 0.000 0.888 757 Q CA 0.462 56.305 55.803 0.067 0.000 0.934 757 Q CB 1.629 30.427 28.738 0.101 0.000 1.093 757 Q HN 0.203 nan 8.270 nan 0.000 0.523 758 G N 0.931 109.748 108.800 0.029 0.000 2.353 758 G HA2 0.057 4.017 3.960 0.000 0.000 0.308 758 G HA3 0.057 4.017 3.960 0.000 0.000 0.308 758 G C -1.937 172.965 174.900 0.004 0.000 1.418 758 G CA -1.121 43.984 45.100 0.009 0.000 0.966 758 G HN 0.022 nan 8.290 nan 0.000 0.638 759 L N 0.356 121.578 121.223 -0.002 0.000 2.499 759 L HA 0.520 4.860 4.340 0.000 0.000 0.273 759 L C 0.404 177.269 176.870 -0.009 0.000 1.195 759 L CA 0.095 54.934 54.840 -0.002 0.000 0.882 759 L CB 0.969 43.028 42.059 -0.001 0.000 1.133 759 L HN 0.525 nan 8.230 nan 0.000 0.483 760 V N 6.284 126.193 119.914 -0.007 0.000 2.370 760 V HA 0.439 4.559 4.120 0.000 0.000 0.283 760 V C -0.221 175.870 176.094 -0.005 0.000 1.023 760 V CA -0.651 61.643 62.300 -0.011 0.000 0.857 760 V CB 1.554 33.372 31.823 -0.008 0.000 0.985 760 V HN 0.538 nan 8.190 nan 0.000 0.443 761 V N 5.068 124.985 119.914 0.005 0.000 2.448 761 V HA 0.501 4.621 4.120 0.000 0.000 0.295 761 V C -0.123 175.957 176.094 -0.023 0.000 1.025 761 V CA -0.867 61.433 62.300 -0.001 0.000 0.859 761 V CB 1.808 33.643 31.823 0.020 0.000 0.988 761 V HN 0.867 nan 8.190 nan 0.000 0.431 762 K N 7.426 127.781 120.400 -0.075 0.000 2.323 762 K HA 0.591 4.911 4.320 0.000 0.000 0.259 762 K C -2.637 173.839 176.600 -0.208 0.000 0.947 762 K CA -1.783 54.404 56.287 -0.166 0.000 0.819 762 K CB 2.506 34.922 32.500 -0.140 0.000 1.109 762 K HN 0.435 nan 8.250 nan 0.000 0.429 763 P HA 0.169 nan 4.420 nan 0.000 0.297 763 P C -1.644 175.512 177.300 -0.240 0.000 1.307 763 P CA -0.240 62.692 63.100 -0.280 0.000 0.773 763 P CB 1.006 32.487 31.700 -0.365 0.000 1.265 764 Q N -1.101 118.613 119.800 -0.144 0.000 3.100 764 Q HA 0.320 4.660 4.340 0.000 0.000 0.191 764 Q C -0.237 175.739 176.000 -0.040 0.000 0.971 764 Q CA 0.219 55.965 55.803 -0.095 0.000 1.209 764 Q CB -0.330 28.354 28.738 -0.090 0.000 1.803 764 Q HN 0.829 nan 8.270 nan 0.000 0.586 765 G N 3.141 111.934 108.800 -0.012 0.000 2.201 765 G HA2 -0.285 3.675 3.960 0.000 0.000 0.212 765 G HA3 -0.285 3.675 3.960 0.000 0.000 0.212 765 G C 0.294 175.215 174.900 0.035 0.000 0.994 765 G CA 0.223 45.329 45.100 0.010 0.000 0.644 765 G HN 1.414 nan 8.290 nan 0.000 0.508 766 N N -0.655 118.078 118.700 0.054 0.000 2.637 766 N HA 0.117 4.857 4.740 0.000 0.000 0.287 766 N C 0.558 176.115 175.510 0.079 0.000 1.130 766 N CA 2.149 55.261 53.050 0.105 0.000 0.764 766 N CB -1.004 37.568 38.487 0.140 0.000 0.935 766 N HN 1.978 nan 8.380 nan 0.000 0.558 767 A N 1.286 124.146 122.820 0.067 0.000 2.441 767 A HA 0.170 4.490 4.320 0.000 0.000 0.209 767 A C -0.076 177.534 177.584 0.043 0.000 1.645 767 A CA -0.430 51.635 52.037 0.048 0.000 1.362 767 A CB -0.448 18.572 19.000 0.032 0.000 1.035 767 A HN 0.493 nan 8.150 nan 0.000 0.487 768 L N 2.429 123.687 121.223 0.059 0.000 2.593 768 L HA 0.489 4.829 4.340 0.000 0.000 0.287 768 L C 0.411 177.308 176.870 0.044 0.000 1.243 768 L CA 2.340 57.211 54.840 0.052 0.000 0.890 768 L CB 0.376 42.485 42.059 0.083 0.000 1.134 768 L HN 0.720 nan 8.230 nan 0.000 0.502 769 T N 4.242 118.815 114.554 0.030 0.000 2.993 769 T HA 0.644 4.994 4.350 0.000 0.000 0.312 769 T C -0.813 173.898 174.700 0.019 0.000 1.115 769 T CA -0.910 61.204 62.100 0.024 0.000 1.027 769 T CB 1.030 69.908 68.868 0.017 0.000 1.116 769 T HN 0.402 nan 8.240 nan 0.000 0.464 770 I N 2.529 123.110 120.570 0.019 0.000 2.474 770 I HA 0.476 4.646 4.170 0.000 0.000 0.294 770 I C 0.031 176.154 176.117 0.011 0.000 1.005 770 I CA -0.695 60.614 61.300 0.015 0.000 1.113 770 I CB 1.792 39.803 38.000 0.018 0.000 1.289 770 I HN 0.815 nan 8.210 nan 0.000 0.436 771 T N 6.329 120.888 114.554 0.009 0.000 2.842 771 T HA 0.455 4.805 4.350 0.000 0.000 0.308 771 T C 0.197 174.901 174.700 0.007 0.000 1.041 771 T CA -0.527 61.578 62.100 0.007 0.000 0.964 771 T CB 0.691 69.562 68.868 0.005 0.000 0.972 771 T HN 0.133 nan 8.240 nan 0.000 0.460 772 L N 2.734 123.962 121.223 0.008 0.000 2.472 772 L HA 0.365 4.705 4.340 0.000 0.000 0.260 772 L C 1.613 178.488 176.870 0.008 0.000 1.209 772 L CA -0.003 54.842 54.840 0.009 0.000 0.817 772 L CB -0.857 41.209 42.059 0.011 0.000 1.106 772 L HN 0.912 nan 8.230 nan 0.000 0.479 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.052 56.048 0.007 0.000 1.023 773 H CB 0.000 29.767 29.762 0.008 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496