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 1xsj_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 0.000 176.165 176.300 -0.226 0.000 1.140 1 M CA 0.000 55.175 55.300 -0.207 0.000 0.988 1 M CB 0.000 32.409 32.600 -0.318 0.000 1.302 2 K N 4.728 125.004 120.400 -0.207 0.000 2.339 2 K HA 0.394 4.719 4.320 0.008 0.000 0.286 2 K C 0.062 176.512 176.600 -0.250 0.000 1.050 2 K CA 0.146 56.315 56.287 -0.197 0.000 0.956 2 K CB 0.848 33.261 32.500 -0.145 0.000 0.990 2 K HN 0.698 nan 8.250 nan 0.000 0.475 3 I N 0.195 120.600 120.570 -0.276 0.000 3.570 3 I HA -0.096 4.079 4.170 0.008 0.000 0.270 3 I C 0.909 176.880 176.117 -0.244 0.000 1.162 3 I CA 0.143 61.244 61.300 -0.331 0.000 1.413 3 I CB 0.172 37.842 38.000 -0.550 0.000 1.437 3 I HN 0.501 nan 8.210 nan 0.000 0.457 4 S N 0.444 116.012 115.700 -0.220 0.000 2.614 4 S HA 0.173 4.647 4.470 0.008 0.000 0.265 4 S C -0.318 174.211 174.600 -0.117 0.000 1.303 4 S CA -0.378 57.731 58.200 -0.151 0.000 1.000 4 S CB 1.498 64.609 63.200 -0.148 0.000 0.935 4 S HN 0.227 nan 8.310 nan 0.000 0.551 5 D N 0.193 120.545 120.400 -0.080 0.000 2.412 5 D HA 0.492 5.136 4.640 0.008 0.000 0.276 5 D C 0.719 176.999 176.300 -0.034 0.000 1.196 5 D CA 0.785 54.753 54.000 -0.052 0.000 0.905 5 D CB 0.002 40.783 40.800 -0.031 0.000 1.081 5 D HN 1.105 nan 8.370 nan 0.000 0.502 6 G N 3.220 111.984 108.800 -0.060 0.000 2.752 6 G HA2 -0.375 3.590 3.960 0.008 0.000 0.234 6 G HA3 -0.375 3.590 3.960 0.008 0.000 0.234 6 G C 0.902 175.699 174.900 -0.172 0.000 1.367 6 G CA 0.061 45.113 45.100 -0.081 0.000 0.879 6 G HN 0.502 nan 8.290 nan 0.000 0.563 7 N N -0.756 117.740 118.700 -0.339 0.000 2.223 7 N HA -0.026 4.719 4.740 0.008 0.000 0.185 7 N C 1.885 177.050 175.510 -0.574 0.000 1.016 7 N CA 2.639 55.310 53.050 -0.631 0.000 0.863 7 N CB -0.140 37.675 38.487 -1.119 0.000 0.983 7 N HN 0.609 nan 8.380 nan 0.000 0.429 8 W N -0.526 120.759 121.300 -0.024 0.000 2.907 8 W HA 0.407 5.071 4.660 0.008 0.000 0.271 8 W C 0.190 176.697 176.519 -0.019 0.000 1.253 8 W CA -0.577 56.757 57.345 -0.019 0.000 1.501 8 W CB 0.448 29.898 29.460 -0.017 0.000 1.047 8 W HN -0.133 nan 8.180 nan 0.000 0.610 9 L N -0.187 121.123 121.223 0.145 0.000 2.235 9 L HA 0.657 5.002 4.340 0.008 0.000 0.260 9 L C -0.444 176.434 176.870 0.014 0.000 1.025 9 L CA -1.352 53.538 54.840 0.084 0.000 0.836 9 L CB 1.708 43.813 42.059 0.076 0.000 1.395 9 L HN -0.346 nan 8.230 nan 0.000 0.443 10 I N -0.208 120.362 120.570 0.000 0.000 2.608 10 I HA 0.227 4.402 4.170 0.008 0.000 0.295 10 I C -0.533 175.556 176.117 -0.046 0.000 1.049 10 I CA -0.898 60.380 61.300 -0.037 0.000 1.063 10 I CB 1.998 39.981 38.000 -0.028 0.000 1.248 10 I HN 0.486 nan 8.210 nan 0.000 0.424 11 Q N 4.394 124.148 119.800 -0.077 0.000 2.304 11 Q HA 0.051 4.396 4.340 0.008 0.000 0.315 11 Q C -2.279 173.684 176.000 -0.062 0.000 1.075 11 Q CA -1.011 54.745 55.803 -0.077 0.000 0.988 11 Q CB -0.245 28.428 28.738 -0.110 0.000 1.146 11 Q HN 0.217 nan 8.270 nan 0.000 0.383 12 P HA 0.007 nan 4.420 nan 0.000 0.264 12 P C 0.651 177.927 177.300 -0.040 0.000 1.193 12 P CA 0.998 64.077 63.100 -0.035 0.000 0.763 12 P CB 0.435 32.118 31.700 -0.028 0.000 0.810 13 G N 2.201 110.981 108.800 -0.034 0.000 2.195 13 G HA2 -0.209 3.756 3.960 0.008 0.000 0.246 13 G HA3 -0.209 3.756 3.960 0.008 0.000 0.246 13 G C -0.132 174.742 174.900 -0.043 0.000 0.984 13 G CA -0.434 44.646 45.100 -0.033 0.000 0.633 13 G HN 0.454 nan 8.290 nan 0.000 0.525 14 L N 1.262 122.450 121.223 -0.058 0.000 2.289 14 L HA 0.470 4.815 4.340 0.008 0.000 0.285 14 L C -0.528 176.303 176.870 -0.066 0.000 1.049 14 L CA -0.872 53.922 54.840 -0.077 0.000 0.804 14 L CB 1.165 43.156 42.059 -0.114 0.000 1.195 14 L HN 0.035 nan 8.230 nan 0.000 0.428 15 N N 4.980 123.638 118.700 -0.070 0.000 2.392 15 N HA 0.573 5.318 4.740 0.008 0.000 0.283 15 N C -0.889 174.575 175.510 -0.077 0.000 1.003 15 N CA -0.400 52.616 53.050 -0.057 0.000 0.892 15 N CB 2.480 40.943 38.487 -0.039 0.000 1.193 15 N HN 0.419 nan 8.380 nan 0.000 0.487 16 L N 2.835 124.016 121.223 -0.071 0.000 2.346 16 L HA 0.668 5.012 4.340 0.008 0.000 0.276 16 L C 0.123 176.870 176.870 -0.204 0.000 1.006 16 L CA -1.070 53.695 54.840 -0.126 0.000 0.817 16 L CB 1.462 43.456 42.059 -0.108 0.000 1.272 16 L HN 0.432 nan 8.230 nan 0.000 0.421 17 I N -1.600 118.840 120.570 -0.216 0.000 2.828 17 I HA 0.627 4.802 4.170 0.008 0.000 0.302 17 I C -1.027 174.963 176.117 -0.213 0.000 1.101 17 I CA -0.627 60.570 61.300 -0.172 0.000 1.031 17 I CB 2.465 40.476 38.000 0.017 0.000 1.231 17 I HN 0.481 nan 8.210 nan 0.000 0.427 18 H N 2.248 121.420 119.070 0.171 0.000 2.851 18 H HA 0.438 4.998 4.556 0.008 0.000 0.372 18 H C -2.763 172.333 175.328 -0.387 0.000 1.158 18 H CA -1.883 54.034 56.048 -0.219 0.000 1.159 18 H CB 2.408 32.045 29.762 -0.208 0.000 1.757 18 H HN 0.418 nan 8.280 nan 0.000 0.546 19 P HA 0.110 nan 4.420 nan 0.000 0.270 19 P C 0.375 176.919 177.300 -1.259 0.000 1.242 19 P CA 0.056 62.635 63.100 -0.869 0.000 0.768 19 P CB 0.919 32.003 31.700 -1.026 0.000 0.820 20 L N 1.752 122.514 121.223 -0.768 0.000 2.878 20 L HA 0.298 4.642 4.340 0.008 0.000 0.253 20 L C 0.939 177.736 176.870 -0.123 0.000 1.135 20 L CA 0.305 54.850 54.840 -0.492 0.000 0.943 20 L CB 0.541 42.498 42.059 -0.169 0.000 1.307 20 L HN 0.409 nan 8.230 nan 0.000 0.545 21 Q N 0.886 120.670 119.800 -0.026 0.000 2.313 21 Q HA 0.293 4.638 4.340 0.008 0.000 0.260 21 Q C -1.353 174.887 176.000 0.400 0.000 0.972 21 Q CA -0.321 55.645 55.803 0.272 0.000 0.886 21 Q CB 3.203 32.032 28.738 0.153 0.000 1.373 21 Q HN -0.143 nan 8.270 nan 0.000 0.416 22 V N 5.351 125.572 119.914 0.512 0.000 2.540 22 V HA -0.017 4.108 4.120 0.008 0.000 0.297 22 V C 0.573 176.875 176.094 0.347 0.000 1.024 22 V CA 0.884 63.447 62.300 0.439 0.000 1.105 22 V CB 0.210 32.199 31.823 0.276 0.000 0.938 22 V HN 0.815 nan 8.190 nan 0.000 0.482 23 F N 3.506 123.600 119.950 0.238 0.000 2.383 23 F HA 0.341 4.873 4.527 0.008 0.000 0.287 23 F C 0.989 176.892 175.800 0.171 0.000 1.069 23 F CA 0.724 58.832 58.000 0.179 0.000 1.402 23 F CB 0.562 39.661 39.000 0.165 0.000 1.116 23 F HN 0.558 nan 8.300 nan 0.000 0.549 24 E N 0.094 120.389 120.200 0.158 0.000 2.375 24 E HA 0.504 4.858 4.350 0.008 0.000 0.280 24 E C -1.997 174.763 176.600 0.266 0.000 0.972 24 E CA -0.743 55.695 56.400 0.064 0.000 0.782 24 E CB 2.385 32.104 29.700 0.032 0.000 1.229 24 E HN -0.141 nan 8.360 nan 0.000 0.439 25 V N 2.684 122.698 119.914 0.166 0.000 2.656 25 V HA 0.501 4.626 4.120 0.008 0.000 0.307 25 V C -0.729 175.458 176.094 0.155 0.000 1.051 25 V CA -0.627 61.770 62.300 0.162 0.000 0.893 25 V CB 1.766 33.647 31.823 0.097 0.000 0.999 25 V HN 0.694 nan 8.190 nan 0.000 0.426 26 E N 3.341 123.640 120.200 0.165 0.000 2.292 26 E HA 0.441 4.796 4.350 0.008 0.000 0.272 26 E C -1.197 175.474 176.600 0.119 0.000 0.881 26 E CA -0.695 55.795 56.400 0.151 0.000 0.754 26 E CB 2.295 32.128 29.700 0.221 0.000 1.201 26 E HN 0.742 nan 8.360 nan 0.000 0.425 27 Q N 3.423 123.284 119.800 0.102 0.000 2.296 27 Q HA 0.191 4.536 4.340 0.008 0.000 0.257 27 Q C -1.027 175.028 176.000 0.090 0.000 0.942 27 Q CA -0.239 55.625 55.803 0.102 0.000 0.939 27 Q CB 1.106 29.897 28.738 0.089 0.000 1.198 27 Q HN 0.477 nan 8.270 nan 0.000 0.429 28 Q N 4.243 124.097 119.800 0.091 0.000 2.508 28 Q HA 0.132 4.476 4.340 0.008 0.000 0.247 28 Q C -0.773 175.271 176.000 0.074 0.000 1.047 28 Q CA -0.478 55.367 55.803 0.071 0.000 0.783 28 Q CB 1.082 29.852 28.738 0.053 0.000 1.172 28 Q HN 0.930 nan 8.270 nan 0.000 0.515 29 D N 2.384 122.825 120.400 0.068 0.000 4.259 29 D HA -0.284 4.361 4.640 0.008 0.000 0.150 29 D C 0.437 176.798 176.300 0.101 0.000 0.731 29 D CA 2.538 56.580 54.000 0.069 0.000 1.138 29 D CB -0.735 40.099 40.800 0.056 0.000 0.540 29 D HN 0.712 nan 8.370 nan 0.000 0.507 30 N N 1.674 120.449 118.700 0.126 0.000 2.251 30 N HA 0.159 4.904 4.740 0.008 0.000 0.217 30 N C -0.572 175.145 175.510 0.345 0.000 1.124 30 N CA 0.177 53.343 53.050 0.194 0.000 0.843 30 N CB 0.209 38.794 38.487 0.163 0.000 1.024 30 N HN 0.523 nan 8.380 nan 0.000 0.501 31 E N 0.194 120.548 120.200 0.257 0.000 2.288 31 E HA 0.352 4.706 4.350 0.008 0.000 0.268 31 E C -1.099 175.614 176.600 0.189 0.000 0.885 31 E CA -0.686 55.842 56.400 0.213 0.000 0.767 31 E CB 2.556 32.309 29.700 0.089 0.000 1.220 31 E HN 0.073 nan 8.360 nan 0.000 0.427 32 M N 2.889 122.580 119.600 0.151 0.000 2.243 32 M HA 0.367 4.852 4.480 0.008 0.000 0.324 32 M C -1.696 174.704 176.300 0.167 0.000 1.031 32 M CA -0.826 54.590 55.300 0.193 0.000 0.949 32 M CB 1.304 34.070 32.600 0.276 0.000 1.615 32 M HN 0.282 nan 8.290 nan 0.000 0.430 33 V N 5.744 125.715 119.914 0.094 0.000 2.398 33 V HA 0.485 4.609 4.120 0.008 0.000 0.286 33 V C -0.533 175.553 176.094 -0.013 0.000 1.026 33 V CA -0.682 61.600 62.300 -0.030 0.000 0.868 33 V CB 1.665 33.402 31.823 -0.144 0.000 0.982 33 V HN 0.657 nan 8.190 nan 0.000 0.443 34 V N 5.495 125.412 119.914 0.005 0.000 2.409 34 V HA 0.438 4.563 4.120 0.008 0.000 0.291 34 V C -0.934 175.163 176.094 0.004 0.000 1.020 34 V CA -0.816 61.550 62.300 0.110 0.000 0.848 34 V CB 1.407 33.416 31.823 0.309 0.000 0.990 34 V HN 0.725 nan 8.190 nan 0.000 0.430 35 Y N 2.887 123.352 120.300 0.275 0.000 2.327 35 Y HA 0.683 5.238 4.550 0.008 0.000 0.336 35 Y C 0.532 176.641 175.900 0.348 0.000 1.035 35 Y CA -0.341 57.934 58.100 0.292 0.000 1.165 35 Y CB 1.528 40.177 38.460 0.315 0.000 1.181 35 Y HN 0.716 nan 8.280 nan 0.000 0.494 36 A N 2.320 125.398 122.820 0.430 0.000 2.359 36 A HA 0.857 5.181 4.320 0.008 0.000 0.303 36 A C -0.902 176.835 177.584 0.255 0.000 1.066 36 A CA -0.659 51.579 52.037 0.334 0.000 0.730 36 A CB 0.636 19.767 19.000 0.218 0.000 1.211 36 A HN 0.807 nan 8.150 nan 0.000 0.439 37 A N 3.378 126.306 122.820 0.180 0.000 2.304 37 A HA 0.799 5.124 4.320 0.008 0.000 0.301 37 A C -1.941 175.683 177.584 0.067 0.000 1.132 37 A CA -1.699 50.404 52.037 0.110 0.000 0.819 37 A CB 0.481 19.527 19.000 0.075 0.000 1.094 37 A HN 0.531 nan 8.150 nan 0.000 0.492 38 P HA 0.106 nan 4.420 nan 0.000 0.253 38 P C -0.208 177.093 177.300 0.003 0.000 1.260 38 P CA 0.375 63.518 63.100 0.070 0.000 0.800 38 P CB -0.122 31.643 31.700 0.108 0.000 1.162 39 R N -2.650 117.836 120.500 -0.023 0.000 2.762 39 R HA 0.446 4.791 4.340 0.008 0.000 0.271 39 R C -1.333 174.927 176.300 -0.067 0.000 1.038 39 R CA -0.924 55.131 56.100 -0.076 0.000 0.906 39 R CB -0.466 29.749 30.300 -0.142 0.000 1.259 39 R HN -0.369 nan 8.270 nan 0.000 0.457 40 D N 1.192 121.517 120.400 -0.123 0.000 2.382 40 D HA 0.094 4.738 4.640 0.008 0.000 0.259 40 D C 0.457 176.746 176.300 -0.018 0.000 1.224 40 D CA -0.066 53.890 54.000 -0.074 0.000 0.894 40 D CB 1.438 42.166 40.800 -0.120 0.000 1.127 40 D HN 0.510 nan 8.370 nan 0.000 0.487 41 V N 1.833 121.806 119.914 0.097 0.000 2.988 41 V HA 0.321 4.445 4.120 0.008 0.000 0.356 41 V C 1.639 177.883 176.094 0.249 0.000 1.380 41 V CA -0.420 61.988 62.300 0.180 0.000 1.184 41 V CB -0.147 31.739 31.823 0.105 0.000 1.204 41 V HN 0.353 nan 8.190 nan 0.000 0.530 42 R N 1.268 121.889 120.500 0.201 0.000 2.096 42 R HA 0.021 4.365 4.340 0.008 0.000 0.235 42 R C 0.429 176.839 176.300 0.184 0.000 1.127 42 R CA 1.450 57.657 56.100 0.180 0.000 0.968 42 R CB 0.059 30.427 30.300 0.113 0.000 0.861 42 R HN 0.703 nan 8.270 nan 0.000 0.440 43 E N 0.459 120.791 120.200 0.220 0.000 2.249 43 E HA 0.140 4.494 4.350 0.008 0.000 0.280 43 E C 0.468 177.160 176.600 0.154 0.000 1.016 43 E CA -0.467 56.043 56.400 0.184 0.000 0.830 43 E CB 1.133 30.963 29.700 0.217 0.000 1.081 43 E HN 0.088 nan 8.360 nan 0.000 0.395 44 R N 1.008 121.553 120.500 0.076 0.000 2.127 44 R HA -0.149 4.195 4.340 0.008 0.000 0.238 44 R C 2.088 178.364 176.300 -0.040 0.000 1.134 44 R CA 1.415 57.537 56.100 0.036 0.000 0.975 44 R CB -0.513 29.796 30.300 0.016 0.000 0.865 44 R HN 0.520 nan 8.270 nan 0.000 0.447 45 T N -0.588 113.881 114.554 -0.143 0.000 2.897 45 T HA -0.138 4.217 4.350 0.008 0.000 0.271 45 T C 0.951 175.373 174.700 -0.463 0.000 1.084 45 T CA 1.065 62.946 62.100 -0.364 0.000 1.123 45 T CB -0.122 68.432 68.868 -0.525 0.000 0.865 45 T HN 0.493 nan 8.240 nan 0.000 0.496 46 W N 0.733 122.030 121.300 -0.005 0.000 3.220 46 W HA 0.337 5.002 4.660 0.008 0.000 0.328 46 W C 1.419 177.912 176.519 -0.044 0.000 1.205 46 W CA -0.711 56.624 57.345 -0.015 0.000 1.773 46 W CB 0.387 29.845 29.460 -0.002 0.000 1.086 46 W HN 0.163 nan 8.180 nan 0.000 0.622 47 Q N 1.685 121.545 119.800 0.099 0.000 2.404 47 Q HA 0.217 4.561 4.340 0.008 0.000 0.272 47 Q C -0.495 175.477 176.000 -0.046 0.000 0.939 47 Q CA 0.226 56.019 55.803 -0.016 0.000 0.945 47 Q CB -0.570 28.145 28.738 -0.038 0.000 1.195 47 Q HN 0.275 nan 8.270 nan 0.000 0.415 48 L N -5.910 115.311 121.223 -0.002 0.000 2.999 48 L HA 0.497 4.842 4.340 0.008 0.000 0.274 48 L C -1.072 175.814 176.870 0.027 0.000 1.044 48 L CA -1.247 53.583 54.840 -0.016 0.000 0.943 48 L CB 1.025 43.065 42.059 -0.033 0.000 1.522 48 L HN -0.201 nan 8.230 nan 0.000 0.400 49 D N -0.071 120.339 120.400 0.016 0.000 2.689 49 D HA -0.148 4.497 4.640 0.008 0.000 0.237 49 D C -0.226 176.110 176.300 0.060 0.000 1.148 49 D CA 1.759 55.783 54.000 0.041 0.000 0.656 49 D CB -0.733 40.101 40.800 0.056 0.000 1.050 49 D HN 0.977 nan 8.370 nan 0.000 0.426 50 T N -1.170 113.401 114.554 0.027 0.000 2.932 50 T HA 0.515 4.869 4.350 0.008 0.000 0.318 50 T C -2.540 172.147 174.700 -0.021 0.000 1.265 50 T CA -1.287 60.820 62.100 0.012 0.000 1.036 50 T CB 1.740 70.619 68.868 0.018 0.000 1.209 50 T HN -0.241 nan 8.240 nan 0.000 0.484 51 P HA 0.591 nan 4.420 nan 0.000 0.271 51 P C -1.440 175.775 177.300 -0.142 0.000 1.244 51 P CA -0.639 62.398 63.100 -0.104 0.000 0.793 51 P CB 0.378 31.954 31.700 -0.206 0.000 0.984 52 L N 0.415 121.522 121.223 -0.194 0.000 2.493 52 L HA 0.481 4.826 4.340 0.008 0.000 0.265 52 L C -1.531 175.243 176.870 -0.160 0.000 0.954 52 L CA -0.351 54.427 54.840 -0.104 0.000 0.844 52 L CB 1.148 43.196 42.059 -0.018 0.000 1.302 52 L HN 0.162 nan 8.230 nan 0.000 0.405 53 F N 1.973 121.957 119.950 0.056 0.000 2.385 53 F HA 0.578 5.110 4.527 0.008 0.000 0.336 53 F C 0.607 176.459 175.800 0.087 0.000 1.100 53 F CA -0.218 57.810 58.000 0.047 0.000 1.116 53 F CB 1.913 40.910 39.000 -0.005 0.000 1.166 53 F HN 0.340 nan 8.300 nan 0.000 0.511 54 T N 4.952 119.637 114.554 0.218 0.000 2.788 54 T HA 0.522 4.877 4.350 0.008 0.000 0.296 54 T C -0.585 174.108 174.700 -0.011 0.000 1.009 54 T CA -0.493 61.625 62.100 0.029 0.000 0.949 54 T CB 0.302 69.180 68.868 0.017 0.000 0.946 54 T HN 0.158 nan 8.240 nan 0.000 0.453 55 L N 3.453 124.638 121.223 -0.063 0.000 2.295 55 L HA 0.598 4.943 4.340 0.008 0.000 0.285 55 L C 0.409 177.086 176.870 -0.321 0.000 1.035 55 L CA -0.423 54.309 54.840 -0.181 0.000 0.806 55 L CB 1.196 43.201 42.059 -0.089 0.000 1.214 55 L HN 0.415 nan 8.230 nan 0.000 0.426 56 R N 2.855 123.089 120.500 -0.443 0.000 2.480 56 R HA 0.593 4.937 4.340 0.008 0.000 0.306 56 R C -1.647 174.351 176.300 -0.503 0.000 0.958 56 R CA -0.498 55.409 56.100 -0.322 0.000 0.861 56 R CB 0.887 31.072 30.300 -0.191 0.000 1.171 56 R HN 0.373 nan 8.270 nan 0.000 0.445 57 F N 6.042 125.878 119.950 -0.190 0.000 2.436 57 F HA 0.524 5.056 4.527 0.008 0.000 0.340 57 F C -0.280 175.030 175.800 -0.817 0.000 1.113 57 F CA -0.577 57.117 58.000 -0.509 0.000 1.022 57 F CB 1.296 39.929 39.000 -0.611 0.000 1.128 57 F HN 0.447 nan 8.300 nan 0.000 0.466 58 F N -0.185 119.310 119.950 -0.759 0.000 2.741 58 F HA 0.725 5.257 4.527 0.008 0.000 0.313 58 F C -1.150 174.657 175.800 0.012 0.000 1.153 58 F CA -1.437 56.321 58.000 -0.403 0.000 0.931 58 F CB 1.590 40.514 39.000 -0.128 0.000 1.335 58 F HN 0.244 nan 8.300 nan 0.000 0.460 59 S N 1.935 117.815 115.700 0.300 0.000 2.756 59 S HA 0.514 4.989 4.470 0.008 0.000 0.303 59 S C -2.188 172.503 174.600 0.151 0.000 1.135 59 S CA -1.360 56.942 58.200 0.169 0.000 1.066 59 S CB 1.459 64.832 63.200 0.288 0.000 1.008 59 S HN 0.609 nan 8.310 nan 0.000 0.482 60 P HA 0.119 nan 4.420 nan 0.000 0.231 60 P C -0.426 176.807 177.300 -0.111 0.000 1.168 60 P CA 0.604 63.709 63.100 0.008 0.000 0.779 60 P CB 0.299 31.940 31.700 -0.099 0.000 0.844 61 Q N -0.743 118.932 119.800 -0.208 0.000 2.472 61 Q HA 0.172 4.516 4.340 0.008 0.000 0.281 61 Q C -0.550 175.371 176.000 -0.132 0.000 0.997 61 Q CA -0.661 55.036 55.803 -0.177 0.000 0.828 61 Q CB 1.643 30.217 28.738 -0.272 0.000 1.443 61 Q HN 0.003 nan 8.270 nan 0.000 0.390 62 E N 0.297 120.445 120.200 -0.086 0.000 2.465 62 E HA 0.086 4.440 4.350 0.008 0.000 0.260 62 E C 0.597 177.154 176.600 -0.072 0.000 0.980 62 E CA 1.671 58.032 56.400 -0.064 0.000 0.927 62 E CB 0.257 29.926 29.700 -0.051 0.000 0.934 62 E HN 0.801 nan 8.360 nan 0.000 0.459 63 G N 4.379 113.148 108.800 -0.052 0.000 2.155 63 G HA2 -0.250 3.715 3.960 0.008 0.000 0.257 63 G HA3 -0.250 3.715 3.960 0.008 0.000 0.257 63 G C 0.305 175.181 174.900 -0.040 0.000 0.983 63 G CA 0.467 45.545 45.100 -0.035 0.000 0.676 63 G HN 0.518 nan 8.290 nan 0.000 0.528 64 I N 0.482 121.003 120.570 -0.082 0.000 2.389 64 I HA 0.459 4.634 4.170 0.008 0.000 0.288 64 I C -0.100 175.996 176.117 -0.036 0.000 0.999 64 I CA -1.105 60.126 61.300 -0.114 0.000 1.129 64 I CB 2.125 39.896 38.000 -0.380 0.000 1.288 64 I HN -0.147 nan 8.210 nan 0.000 0.444 65 V N 5.212 125.149 119.914 0.037 0.000 2.357 65 V HA 0.454 4.579 4.120 0.008 0.000 0.284 65 V C 0.690 176.722 176.094 -0.103 0.000 1.018 65 V CA -0.539 61.801 62.300 0.067 0.000 0.841 65 V CB 1.504 33.485 31.823 0.263 0.000 0.991 65 V HN 0.895 nan 8.190 nan 0.000 0.437 66 G N 3.824 112.339 108.800 -0.476 0.000 2.370 66 G HA2 0.504 4.469 3.960 0.008 0.000 0.272 66 G HA3 0.504 4.469 3.960 0.008 0.000 0.272 66 G C -0.698 173.713 174.900 -0.814 0.000 1.208 66 G CA -0.204 44.260 45.100 -1.060 0.000 0.856 66 G HN 0.563 nan 8.290 nan 0.000 0.500 67 V N 3.332 122.778 119.914 -0.779 0.000 2.376 67 V HA 0.437 4.562 4.120 0.008 0.000 0.287 67 V C 0.236 175.998 176.094 -0.553 0.000 1.015 67 V CA -0.863 60.991 62.300 -0.743 0.000 0.834 67 V CB 1.338 32.624 31.823 -0.895 0.000 1.001 67 V HN 0.809 nan 8.190 nan 0.000 0.428 68 R N 5.239 125.535 120.500 -0.339 0.000 2.246 68 R HA 0.653 4.998 4.340 0.008 0.000 0.332 68 R C -1.184 175.060 176.300 -0.093 0.000 0.974 68 R CA -0.499 55.538 56.100 -0.105 0.000 0.837 68 R CB 0.879 31.156 30.300 -0.039 0.000 1.145 68 R HN 0.708 nan 8.270 nan 0.000 0.467 69 I N 3.810 124.413 120.570 0.056 0.000 2.339 69 I HA 0.286 4.461 4.170 0.008 0.000 0.290 69 I C -0.154 176.102 176.117 0.233 0.000 0.994 69 I CA -0.343 61.016 61.300 0.098 0.000 1.191 69 I CB 1.660 39.709 38.000 0.082 0.000 1.343 69 I HN 0.612 nan 8.210 nan 0.000 0.458 70 E N 6.212 126.558 120.200 0.243 0.000 2.293 70 E HA 0.314 4.669 4.350 0.008 0.000 0.270 70 E C -0.870 175.856 176.600 0.209 0.000 0.879 70 E CA -0.546 56.007 56.400 0.255 0.000 0.756 70 E CB 2.200 31.999 29.700 0.166 0.000 1.208 70 E HN 0.705 nan 8.360 nan 0.000 0.428 71 H N 3.747 122.802 119.070 -0.026 0.000 2.923 71 H HA 0.230 4.791 4.556 0.008 0.000 0.290 71 H C -0.324 174.932 175.328 -0.119 0.000 1.365 71 H CA -0.121 55.711 56.048 -0.359 0.000 1.982 71 H CB 0.217 29.442 29.762 -0.895 0.000 1.551 71 H HN 0.386 nan 8.280 nan 0.000 0.591 72 F N 2.017 121.719 119.950 -0.414 0.000 2.412 72 F HA 0.181 4.713 4.527 0.008 0.000 0.348 72 F C 1.339 177.085 175.800 -0.090 0.000 1.102 72 F CA -0.189 57.623 58.000 -0.313 0.000 1.196 72 F CB 1.327 40.181 39.000 -0.244 0.000 1.144 72 F HN 0.428 nan 8.300 nan 0.000 0.541 73 Q N 1.570 121.432 119.800 0.103 0.000 2.319 73 Q HA 0.130 4.475 4.340 0.008 0.000 0.202 73 Q C 1.870 177.887 176.000 0.029 0.000 0.896 73 Q CA 0.351 56.184 55.803 0.051 0.000 0.942 73 Q CB 0.409 29.149 28.738 0.003 0.000 1.083 73 Q HN 0.986 nan 8.270 nan 0.000 0.510 74 G N 0.564 109.369 108.800 0.009 0.000 2.920 74 G HA2 0.218 4.183 3.960 0.008 0.000 0.208 74 G HA3 0.218 4.183 3.960 0.008 0.000 0.208 74 G C 0.479 175.392 174.900 0.021 0.000 1.159 74 G CA 0.238 45.322 45.100 -0.027 0.000 0.784 74 G HN 0.323 nan 8.290 nan 0.000 0.535 75 A N 0.165 123.036 122.820 0.085 0.000 2.425 75 A HA 0.539 4.863 4.320 0.008 0.000 0.242 75 A C 0.522 178.160 177.584 0.090 0.000 1.077 75 A CA -0.463 51.639 52.037 0.108 0.000 0.781 75 A CB 0.329 19.432 19.000 0.171 0.000 1.020 75 A HN 0.248 nan 8.150 nan 0.000 0.494 76 L N 1.217 122.489 121.223 0.082 0.000 2.525 76 L HA 0.026 4.371 4.340 0.008 0.000 0.278 76 L C 0.632 177.569 176.870 0.112 0.000 1.218 76 L CA 0.485 55.372 54.840 0.078 0.000 0.878 76 L CB 0.128 42.227 42.059 0.068 0.000 1.127 76 L HN 0.939 nan 8.230 nan 0.000 0.492 77 N N 2.237 121.004 118.700 0.111 0.000 2.707 77 N HA 0.168 4.913 4.740 0.008 0.000 0.249 77 N C -0.977 174.620 175.510 0.147 0.000 1.299 77 N CA -0.505 52.642 53.050 0.161 0.000 0.769 77 N CB 0.475 39.067 38.487 0.175 0.000 1.236 77 N HN 0.504 nan 8.380 nan 0.000 0.524 78 N N 0.501 119.258 118.700 0.093 0.000 2.530 78 N HA 0.233 4.977 4.740 0.008 0.000 0.277 78 N C 0.752 176.199 175.510 -0.104 0.000 1.168 78 N CA -0.129 52.942 53.050 0.035 0.000 0.979 78 N CB 1.257 39.761 38.487 0.029 0.000 1.141 78 N HN 0.496 nan 8.380 nan 0.000 0.459 79 G N 0.882 109.546 108.800 -0.227 0.000 2.583 79 G HA2 0.208 4.173 3.960 0.008 0.000 0.275 79 G HA3 0.208 4.173 3.960 0.008 0.000 0.275 79 G C -2.292 172.387 174.900 -0.368 0.000 1.342 79 G CA -0.522 44.218 45.100 -0.599 0.000 1.030 79 G HN 0.353 nan 8.290 nan 0.000 0.520 80 P HA 0.227 nan 4.420 nan 0.000 0.276 80 P C -0.857 175.967 177.300 -0.793 0.000 1.252 80 P CA -0.165 62.603 63.100 -0.554 0.000 0.802 80 P CB 1.062 32.435 31.700 -0.546 0.000 1.035 81 H N -0.647 118.210 119.070 -0.354 0.000 2.670 81 H HA 0.289 4.850 4.556 0.008 0.000 0.361 81 H C 0.060 175.173 175.328 -0.358 0.000 1.169 81 H CA -0.310 55.550 56.048 -0.313 0.000 1.198 81 H CB 0.329 30.002 29.762 -0.149 0.000 1.700 81 H HN 0.345 nan 8.280 nan 0.000 0.542 82 Y N 1.899 122.130 120.300 -0.115 0.000 2.683 82 Y HA 0.010 4.564 4.550 0.008 0.000 0.340 82 Y C -1.379 174.378 175.900 -0.238 0.000 1.245 82 Y CA -1.756 56.225 58.100 -0.198 0.000 1.485 82 Y CB -0.012 38.365 38.460 -0.138 0.000 1.328 82 Y HN 0.348 nan 8.280 nan 0.000 0.603 83 P HA 0.082 nan 4.420 nan 0.000 0.220 83 P C -0.866 176.275 177.300 -0.264 0.000 1.806 83 P CA -0.041 62.933 63.100 -0.209 0.000 0.976 83 P CB -0.188 31.306 31.700 -0.344 0.000 1.952 84 L N 2.225 123.282 121.223 -0.276 0.000 2.371 84 L HA 0.239 4.584 4.340 0.008 0.000 0.272 84 L C 0.894 177.618 176.870 -0.244 0.000 1.124 84 L CA 0.130 54.687 54.840 -0.472 0.000 0.816 84 L CB -0.049 41.698 42.059 -0.520 0.000 1.129 84 L HN 0.101 nan 8.230 nan 0.000 0.448 85 N N 4.780 123.352 118.700 -0.214 0.000 2.469 85 N HA 0.296 5.041 4.740 0.008 0.000 0.239 85 N C -0.558 175.038 175.510 0.143 0.000 1.053 85 N CA 0.014 53.053 53.050 -0.017 0.000 0.937 85 N CB 0.817 39.293 38.487 -0.020 0.000 1.163 85 N HN 0.425 nan 8.380 nan 0.000 0.509 86 I N 3.368 124.007 120.570 0.115 0.000 2.328 86 I HA 0.263 4.438 4.170 0.008 0.000 0.287 86 I C 0.221 176.398 176.117 0.100 0.000 1.012 86 I CA -0.624 60.777 61.300 0.168 0.000 1.195 86 I CB 1.102 39.216 38.000 0.189 0.000 1.350 86 I HN 0.131 nan 8.210 nan 0.000 0.464 87 L N 6.029 127.304 121.223 0.086 0.000 2.395 87 L HA 0.268 4.612 4.340 0.008 0.000 0.269 87 L C 1.054 177.970 176.870 0.077 0.000 1.133 87 L CA -0.459 54.416 54.840 0.060 0.000 0.812 87 L CB 0.716 42.796 42.059 0.035 0.000 1.125 87 L HN 0.576 nan 8.230 nan 0.000 0.452 88 Q N 1.257 121.092 119.800 0.058 0.000 2.319 88 Q HA 0.015 4.360 4.340 0.008 0.000 0.209 88 Q C -0.014 176.022 176.000 0.060 0.000 0.884 88 Q CA 0.367 56.206 55.803 0.060 0.000 0.938 88 Q CB 0.387 29.148 28.738 0.039 0.000 1.098 88 Q HN 0.784 nan 8.270 nan 0.000 0.517 89 D N -1.831 118.600 120.400 0.051 0.000 2.620 89 D HA 0.062 4.706 4.640 0.008 0.000 0.260 89 D C 0.017 176.339 176.300 0.036 0.000 1.367 89 D CA -0.397 53.628 54.000 0.042 0.000 0.805 89 D CB -0.208 40.608 40.800 0.026 0.000 1.096 89 D HN -0.267 nan 8.370 nan 0.000 0.488 90 V N 1.399 121.341 119.914 0.047 0.000 2.617 90 V HA -0.065 4.060 4.120 0.008 0.000 0.304 90 V C 1.012 177.118 176.094 0.019 0.000 1.040 90 V CA -0.060 62.258 62.300 0.030 0.000 1.149 90 V CB 0.539 32.388 31.823 0.043 0.000 0.914 90 V HN 0.210 nan 8.190 nan 0.000 0.487 91 K N 5.122 125.516 120.400 -0.010 0.000 2.383 91 K HA 0.367 4.691 4.320 0.008 0.000 0.286 91 K C -0.539 176.016 176.600 -0.074 0.000 1.051 91 K CA -0.246 56.022 56.287 -0.032 0.000 0.974 91 K CB 0.681 33.160 32.500 -0.036 0.000 0.968 91 K HN 0.650 nan 8.250 nan 0.000 0.475 92 V N 0.555 120.407 119.914 -0.104 0.000 3.074 92 V HA 0.603 4.728 4.120 0.008 0.000 0.314 92 V C -0.568 175.383 176.094 -0.239 0.000 1.117 92 V CA -0.845 61.306 62.300 -0.250 0.000 1.014 92 V CB 1.917 33.514 31.823 -0.377 0.000 1.057 92 V HN 0.673 nan 8.190 nan 0.000 0.438 93 T N 3.193 117.546 114.554 -0.336 0.000 2.829 93 T HA 0.762 5.116 4.350 0.008 0.000 0.280 93 T C -0.560 173.976 174.700 -0.272 0.000 0.999 93 T CA -0.125 61.834 62.100 -0.236 0.000 0.983 93 T CB 1.273 70.034 68.868 -0.178 0.000 0.968 93 T HN 0.674 nan 8.240 nan 0.000 0.446 94 I N 3.380 123.873 120.570 -0.129 0.000 2.468 94 I HA 0.315 4.490 4.170 0.008 0.000 0.285 94 I C -0.256 175.845 176.117 -0.027 0.000 1.039 94 I CA -0.685 60.587 61.300 -0.046 0.000 1.074 94 I CB 1.568 39.604 38.000 0.059 0.000 1.228 94 I HN 0.670 nan 8.210 nan 0.000 0.436 95 E N 5.037 125.219 120.200 -0.031 0.000 2.191 95 E HA 0.379 4.733 4.350 0.008 0.000 0.263 95 E C -1.222 175.379 176.600 0.001 0.000 0.881 95 E CA -0.887 55.503 56.400 -0.016 0.000 0.757 95 E CB 2.274 31.959 29.700 -0.024 0.000 1.147 95 E HN 0.372 nan 8.360 nan 0.000 0.414 96 N N 3.032 121.739 118.700 0.012 0.000 2.558 96 N HA 0.148 4.892 4.740 0.008 0.000 0.242 96 N C -1.054 174.462 175.510 0.011 0.000 0.979 96 N CA -0.147 52.913 53.050 0.017 0.000 0.931 96 N CB 1.224 39.725 38.487 0.024 0.000 1.122 96 N HN 0.660 nan 8.380 nan 0.000 0.508 97 T N -0.253 114.310 114.554 0.015 0.000 2.870 97 T HA 0.357 4.712 4.350 0.008 0.000 0.277 97 T C 1.013 175.690 174.700 -0.039 0.000 1.000 97 T CA -0.455 61.642 62.100 -0.006 0.000 0.982 97 T CB 1.062 69.934 68.868 0.007 0.000 1.249 97 T HN 0.262 nan 8.240 nan 0.000 0.589 98 E N -0.315 119.845 120.200 -0.066 0.000 2.106 98 E HA -0.026 4.329 4.350 0.008 0.000 0.192 98 E C 2.304 178.815 176.600 -0.149 0.000 0.984 98 E CA 1.164 57.512 56.400 -0.087 0.000 0.806 98 E CB 0.011 29.664 29.700 -0.078 0.000 0.750 98 E HN 0.538 nan 8.360 nan 0.000 0.458 99 R N -1.690 118.653 120.500 -0.262 0.000 2.140 99 R HA 0.116 4.461 4.340 0.008 0.000 0.213 99 R C -0.067 175.904 176.300 -0.549 0.000 1.059 99 R CA 0.590 56.368 56.100 -0.536 0.000 1.000 99 R CB 0.420 30.148 30.300 -0.952 0.000 0.910 99 R HN 0.144 nan 8.270 nan 0.000 0.455 100 Y N -1.572 118.684 120.300 -0.074 0.000 2.571 100 Y HA 0.533 5.087 4.550 0.008 0.000 0.341 100 Y C -0.877 174.957 175.900 -0.111 0.000 1.076 100 Y CA -1.494 56.538 58.100 -0.114 0.000 1.029 100 Y CB 1.871 40.255 38.460 -0.127 0.000 1.308 100 Y HN -0.173 nan 8.280 nan 0.000 0.461 101 A N 1.765 124.607 122.820 0.036 0.000 2.304 101 A HA 0.663 4.987 4.320 0.008 0.000 0.314 101 A C -1.108 176.385 177.584 -0.152 0.000 1.187 101 A CA -0.550 51.461 52.037 -0.045 0.000 0.810 101 A CB 1.142 20.105 19.000 -0.061 0.000 1.183 101 A HN 0.749 nan 8.150 nan 0.000 0.487 102 E N 2.200 122.328 120.200 -0.120 0.000 2.246 102 E HA 0.555 4.910 4.350 0.008 0.000 0.266 102 E C -1.962 174.580 176.600 -0.097 0.000 0.880 102 E CA -0.451 55.842 56.400 -0.178 0.000 0.762 102 E CB 1.249 30.840 29.700 -0.182 0.000 1.180 102 E HN 0.552 nan 8.360 nan 0.000 0.416 103 F N 4.301 124.084 119.950 -0.279 0.000 2.444 103 F HA 0.513 5.045 4.527 0.008 0.000 0.342 103 F C -0.995 174.734 175.800 -0.118 0.000 1.121 103 F CA -0.603 57.299 58.000 -0.164 0.000 0.997 103 F CB 1.122 40.037 39.000 -0.142 0.000 1.130 103 F HN 0.318 nan 8.300 nan 0.000 0.454 104 K N 4.271 124.271 120.400 -0.667 0.000 2.443 104 K HA 0.560 4.884 4.320 0.008 0.000 0.252 104 K C -1.685 174.642 176.600 -0.456 0.000 0.933 104 K CA -0.636 55.415 56.287 -0.392 0.000 0.792 104 K CB 1.839 34.194 32.500 -0.242 0.000 1.185 104 K HN 0.584 nan 8.250 nan 0.000 0.425 105 S N 3.109 118.680 115.700 -0.215 0.000 2.707 105 S HA 0.602 5.076 4.470 0.008 0.000 0.303 105 S C 0.307 174.861 174.600 -0.077 0.000 1.132 105 S CA 0.474 58.591 58.200 -0.139 0.000 1.046 105 S CB 0.762 63.943 63.200 -0.031 0.000 1.004 105 S HN 1.081 nan 8.310 nan 0.000 0.483 106 G N 5.527 114.279 108.800 -0.080 0.000 2.629 106 G HA2 -0.363 3.602 3.960 0.008 0.000 0.313 106 G HA3 -0.363 3.602 3.960 0.008 0.000 0.313 106 G C 0.529 175.395 174.900 -0.056 0.000 1.217 106 G CA 0.860 45.924 45.100 -0.059 0.000 0.994 106 G HN 0.772 nan 8.290 nan 0.000 0.549 107 N N -0.015 118.662 118.700 -0.038 0.000 2.336 107 N HA 0.355 5.100 4.740 0.008 0.000 0.189 107 N C 0.297 175.792 175.510 -0.024 0.000 1.113 107 N CA -0.138 52.892 53.050 -0.033 0.000 0.858 107 N CB 0.440 38.914 38.487 -0.021 0.000 0.970 107 N HN 0.368 nan 8.380 nan 0.000 0.471 108 L N 1.276 122.490 121.223 -0.014 0.000 2.282 108 L HA 0.413 4.758 4.340 0.008 0.000 0.288 108 L C -0.219 176.662 176.870 0.018 0.000 1.033 108 L CA -0.476 54.375 54.840 0.018 0.000 0.807 108 L CB 1.090 43.178 42.059 0.048 0.000 1.209 108 L HN -0.052 nan 8.230 nan 0.000 0.423 109 S N 3.691 119.402 115.700 0.019 0.000 2.599 109 S HA 0.967 5.441 4.470 0.008 0.000 0.294 109 S C -0.655 173.950 174.600 0.008 0.000 1.094 109 S CA -0.482 57.713 58.200 -0.008 0.000 0.931 109 S CB 1.769 64.903 63.200 -0.110 0.000 1.093 109 S HN 0.972 nan 8.310 nan 0.000 0.488 110 A N 1.598 124.383 122.820 -0.058 0.000 2.318 110 A HA 0.810 5.134 4.320 0.008 0.000 0.324 110 A C -0.219 177.058 177.584 -0.511 0.000 1.170 110 A CA -0.835 50.971 52.037 -0.385 0.000 0.810 110 A CB 0.922 19.718 19.000 -0.340 0.000 1.198 110 A HN 0.860 nan 8.150 nan 0.000 0.484 111 R N 2.405 122.563 120.500 -0.570 0.000 2.513 111 R HA 0.584 4.928 4.340 0.008 0.000 0.301 111 R C -1.747 174.241 176.300 -0.520 0.000 0.968 111 R CA -0.365 55.429 56.100 -0.509 0.000 0.872 111 R CB 1.712 31.711 30.300 -0.503 0.000 1.177 111 R HN 0.511 nan 8.270 nan 0.000 0.444 112 V N 3.006 122.640 119.914 -0.467 0.000 2.394 112 V HA 0.284 4.409 4.120 0.008 0.000 0.282 112 V C 0.045 175.975 176.094 -0.272 0.000 1.031 112 V CA -0.599 61.403 62.300 -0.497 0.000 0.881 112 V CB 1.733 33.254 31.823 -0.504 0.000 0.982 112 V HN 0.761 nan 8.190 nan 0.000 0.451 113 S N 4.888 120.408 115.700 -0.300 0.000 2.499 113 S HA 0.332 4.807 4.470 0.008 0.000 0.275 113 S C 0.150 174.693 174.600 -0.094 0.000 1.257 113 S CA -0.595 57.578 58.200 -0.044 0.000 1.050 113 S CB 0.379 63.574 63.200 -0.008 0.000 0.937 113 S HN 0.622 nan 8.310 nan 0.000 0.490 114 K N 1.755 122.126 120.400 -0.049 0.000 2.107 114 K HA 0.595 4.920 4.320 0.008 0.000 0.251 114 K C 0.974 177.574 176.600 -0.000 0.000 1.012 114 K CA -0.033 56.247 56.287 -0.010 0.000 0.920 114 K CB 0.488 32.965 32.500 -0.038 0.000 1.033 114 K HN 0.848 nan 8.250 nan 0.000 0.478 115 G N 0.923 109.736 108.800 0.021 0.000 2.545 115 G HA2 -0.265 3.700 3.960 0.008 0.000 0.216 115 G HA3 -0.265 3.700 3.960 0.008 0.000 0.216 115 G C 0.359 175.214 174.900 -0.074 0.000 1.314 115 G CA -0.110 44.968 45.100 -0.036 0.000 0.906 115 G HN 0.687 nan 8.290 nan 0.000 0.563 116 E N -0.405 119.628 120.200 -0.279 0.000 2.274 116 E HA 0.096 4.451 4.350 0.008 0.000 0.194 116 E C 0.195 176.443 176.600 -0.587 0.000 0.996 116 E CA 0.889 56.983 56.400 -0.512 0.000 0.840 116 E CB 0.026 29.217 29.700 -0.849 0.000 0.772 116 E HN 0.272 nan 8.360 nan 0.000 0.491 117 F N 0.834 120.838 119.950 0.091 0.000 2.319 117 F HA 0.181 4.712 4.527 0.008 0.000 0.356 117 F C 0.105 175.991 175.800 0.143 0.000 1.100 117 F CA -1.308 56.754 58.000 0.104 0.000 1.220 117 F CB 0.096 39.130 39.000 0.056 0.000 1.506 117 F HN 0.039 nan 8.300 nan 0.000 0.512 118 W N 2.898 124.270 121.300 0.121 0.000 2.231 118 W HA 0.333 4.998 4.660 0.008 0.000 0.341 118 W C -0.514 176.054 176.519 0.082 0.000 1.298 118 W CA 0.687 58.081 57.345 0.081 0.000 1.266 118 W CB 1.175 30.664 29.460 0.048 0.000 1.172 118 W HN 0.427 nan 8.180 nan 0.000 0.568 119 S N 6.417 121.747 115.700 -0.617 0.000 2.548 119 S HA 0.424 4.898 4.470 0.008 0.000 0.278 119 S C -1.740 172.458 174.600 -0.670 0.000 1.150 119 S CA -0.835 57.119 58.200 -0.411 0.000 0.907 119 S CB 0.854 63.966 63.200 -0.145 0.000 1.108 119 S HN 0.523 nan 8.310 nan 0.000 0.459 120 L N 4.263 125.254 121.223 -0.386 0.000 2.294 120 L HA 0.602 4.947 4.340 0.008 0.000 0.283 120 L C -1.372 175.293 176.870 -0.341 0.000 1.015 120 L CA -0.383 54.237 54.840 -0.368 0.000 0.831 120 L CB 0.904 42.893 42.059 -0.118 0.000 1.217 120 L HN 0.687 nan 8.230 nan 0.000 0.420 121 D N 5.023 125.141 120.400 -0.470 0.000 2.375 121 D HA 0.344 4.988 4.640 0.008 0.000 0.247 121 D C -0.951 175.022 176.300 -0.545 0.000 1.061 121 D CA -0.091 53.689 54.000 -0.367 0.000 0.834 121 D CB 2.096 42.735 40.800 -0.268 0.000 1.247 121 D HN 0.156 nan 8.370 nan 0.000 0.489 122 F N 1.439 121.330 119.950 -0.097 0.000 2.415 122 F HA 0.412 4.944 4.527 0.008 0.000 0.348 122 F C 0.334 176.060 175.800 -0.125 0.000 1.119 122 F CA -0.654 57.284 58.000 -0.105 0.000 1.069 122 F CB 1.053 39.990 39.000 -0.105 0.000 1.124 122 F HN -0.011 nan 8.300 nan 0.000 0.472 123 L N 3.762 124.997 121.223 0.019 0.000 2.365 123 L HA 0.611 4.956 4.340 0.008 0.000 0.273 123 L C -0.370 176.492 176.870 -0.013 0.000 1.000 123 L CA -0.953 53.865 54.840 -0.035 0.000 0.819 123 L CB 2.336 44.331 42.059 -0.107 0.000 1.284 123 L HN 0.538 nan 8.230 nan 0.000 0.418 124 R N 3.246 123.738 120.500 -0.012 0.000 2.288 124 R HA 0.295 4.640 4.340 0.008 0.000 0.326 124 R C -0.345 175.942 176.300 -0.021 0.000 0.959 124 R CA -0.414 55.682 56.100 -0.007 0.000 0.834 124 R CB 0.490 30.799 30.300 0.014 0.000 1.157 124 R HN 0.724 nan 8.270 nan 0.000 0.470 125 N N 3.469 122.150 118.700 -0.032 0.000 2.707 125 N HA -0.224 4.520 4.740 0.008 0.000 0.253 125 N C 0.517 175.998 175.510 -0.047 0.000 0.998 125 N CA 1.638 54.664 53.050 -0.040 0.000 0.751 125 N CB -0.929 37.541 38.487 -0.029 0.000 0.920 125 N HN 1.103 nan 8.380 nan 0.000 0.539 126 G N -1.066 107.695 108.800 -0.065 0.000 2.184 126 G HA2 -0.327 3.638 3.960 0.008 0.000 0.264 126 G HA3 -0.327 3.638 3.960 0.008 0.000 0.264 126 G C -0.195 174.665 174.900 -0.067 0.000 0.975 126 G CA 0.691 45.742 45.100 -0.081 0.000 0.642 126 G HN 0.574 nan 8.290 nan 0.000 0.536 127 E N -0.126 120.047 120.200 -0.045 0.000 2.166 127 E HA 0.487 4.842 4.350 0.008 0.000 0.275 127 E C 0.375 176.958 176.600 -0.027 0.000 0.941 127 E CA -0.858 55.524 56.400 -0.031 0.000 0.784 127 E CB 1.190 30.883 29.700 -0.012 0.000 1.115 127 E HN 0.291 nan 8.360 nan 0.000 0.399 128 R N 4.238 124.720 120.500 -0.030 0.000 2.288 128 R HA 0.094 4.439 4.340 0.008 0.000 0.330 128 R C 0.934 177.235 176.300 0.002 0.000 1.069 128 R CA 0.061 56.145 56.100 -0.026 0.000 0.941 128 R CB 0.106 30.385 30.300 -0.035 0.000 0.998 128 R HN 0.727 nan 8.270 nan 0.000 0.452 129 I N -0.006 120.562 120.570 -0.003 0.000 2.852 129 I HA 0.183 4.358 4.170 0.008 0.000 0.264 129 I C 0.699 176.790 176.117 -0.044 0.000 1.179 129 I CA 0.116 61.414 61.300 -0.003 0.000 1.480 129 I CB 0.365 38.345 38.000 -0.033 0.000 1.111 129 I HN 0.497 nan 8.210 nan 0.000 0.441 130 T N -1.073 113.449 114.554 -0.054 0.000 2.658 130 T HA 0.666 5.021 4.350 0.008 0.000 0.306 130 T C -0.993 173.799 174.700 0.153 0.000 1.544 130 T CA 0.030 62.138 62.100 0.013 0.000 0.991 130 T CB 1.166 69.955 68.868 -0.131 0.000 1.774 130 T HN 0.666 nan 8.240 nan 0.000 0.479 131 G N 0.404 109.337 108.800 0.221 0.000 2.320 131 G HA2 0.450 4.415 3.960 0.008 0.000 0.297 131 G HA3 0.450 4.415 3.960 0.008 0.000 0.297 131 G C -1.445 173.574 174.900 0.199 0.000 1.344 131 G CA 0.314 45.575 45.100 0.269 0.000 0.851 131 G HN 0.960 nan 8.290 nan 0.000 0.567 132 S N -0.349 115.451 115.700 0.166 0.000 2.566 132 S HA 0.555 5.030 4.470 0.008 0.000 0.324 132 S C 0.051 174.723 174.600 0.120 0.000 1.081 132 S CA -0.362 57.923 58.200 0.141 0.000 1.105 132 S CB 0.812 64.127 63.200 0.192 0.000 0.981 132 S HN 0.550 nan 8.310 nan 0.000 0.464 133 Q N 1.952 121.806 119.800 0.090 0.000 2.368 133 Q HA 0.301 4.646 4.340 0.008 0.000 0.237 133 Q C 0.032 176.117 176.000 0.142 0.000 0.987 133 Q CA -0.450 55.412 55.803 0.098 0.000 0.896 133 Q CB 1.115 29.882 28.738 0.048 0.000 1.241 133 Q HN 0.598 nan 8.270 nan 0.000 0.485 134 V N 3.149 123.191 119.914 0.214 0.000 2.681 134 V HA -0.184 3.941 4.120 0.008 0.000 0.306 134 V C 0.218 176.264 176.094 -0.081 0.000 1.077 134 V CA 1.279 63.678 62.300 0.165 0.000 1.224 134 V CB -0.423 31.530 31.823 0.216 0.000 0.879 134 V HN 0.878 nan 8.190 nan 0.000 0.494 135 K N 3.066 123.298 120.400 -0.281 0.000 3.512 135 K HA -0.169 4.156 4.320 0.008 0.000 0.309 135 K C 0.616 177.001 176.600 -0.359 0.000 1.350 135 K CA 1.174 57.043 56.287 -0.697 0.000 0.960 135 K CB -1.428 30.693 32.500 -0.631 0.000 1.290 135 K HN 0.816 nan 8.250 nan 0.000 0.454 136 N N 1.174 119.798 118.700 -0.126 0.000 2.280 136 N HA 0.001 4.745 4.740 0.008 0.000 0.192 136 N C -0.015 175.412 175.510 -0.138 0.000 1.109 136 N CA 0.481 53.540 53.050 0.015 0.000 0.855 136 N CB 0.208 38.703 38.487 0.013 0.000 0.974 136 N HN 0.491 nan 8.380 nan 0.000 0.482 137 N N -0.666 117.807 118.700 -0.379 0.000 2.761 137 N HA 0.713 5.458 4.740 0.008 0.000 0.283 137 N C 0.343 175.293 175.510 -0.934 0.000 1.377 137 N CA -0.411 52.086 53.050 -0.923 0.000 0.791 137 N CB 1.434 39.635 38.487 -0.477 0.000 1.540 137 N HN -0.009 nan 8.380 nan 0.000 0.539 138 G N -1.718 106.475 108.800 -1.011 0.000 2.250 138 G HA2 0.124 4.088 3.960 0.008 0.000 0.252 138 G HA3 0.124 4.088 3.960 0.008 0.000 0.252 138 G C -2.302 172.623 174.900 0.040 0.000 1.325 138 G CA -0.634 44.172 45.100 -0.490 0.000 1.091 138 G HN 0.795 nan 8.290 nan 0.000 0.476 139 Y N 0.119 120.516 120.300 0.161 0.000 2.409 139 Y HA 0.679 5.234 4.550 0.008 0.000 0.343 139 Y C -0.266 175.692 175.900 0.096 0.000 0.973 139 Y CA -1.021 57.154 58.100 0.125 0.000 1.064 139 Y CB 2.263 40.682 38.460 -0.068 0.000 1.207 139 Y HN 0.566 nan 8.280 nan 0.000 0.452 140 V N 6.517 126.278 119.914 -0.255 0.000 2.384 140 V HA 0.307 4.431 4.120 0.008 0.000 0.287 140 V C -0.564 175.244 176.094 -0.477 0.000 1.020 140 V CA -0.839 61.318 62.300 -0.239 0.000 0.850 140 V CB 1.394 33.169 31.823 -0.081 0.000 0.987 140 V HN 0.759 nan 8.190 nan 0.000 0.436 141 Q N 3.479 123.060 119.800 -0.365 0.000 2.390 141 Q HA 0.229 4.574 4.340 0.008 0.000 0.249 141 Q C -0.829 175.103 176.000 -0.115 0.000 0.996 141 Q CA -0.522 55.118 55.803 -0.271 0.000 0.899 141 Q CB 0.969 29.607 28.738 -0.167 0.000 1.216 141 Q HN 0.777 nan 8.270 nan 0.000 0.465 142 D N 3.408 123.779 120.400 -0.047 0.000 2.411 142 D HA 0.034 4.678 4.640 0.008 0.000 0.225 142 D C 0.887 177.183 176.300 -0.007 0.000 1.156 142 D CA -0.134 53.868 54.000 0.004 0.000 0.874 142 D CB 1.255 42.128 40.800 0.121 0.000 1.034 142 D HN 0.683 nan 8.370 nan 0.000 0.502 143 T N 0.776 115.319 114.554 -0.019 0.000 3.088 143 T HA -0.043 4.312 4.350 0.008 0.000 0.259 143 T C 1.266 175.962 174.700 -0.007 0.000 1.122 143 T CA 0.223 62.316 62.100 -0.011 0.000 1.095 143 T CB 0.074 68.935 68.868 -0.011 0.000 0.930 143 T HN 0.195 nan 8.240 nan 0.000 0.508 144 N N 3.177 121.871 118.700 -0.009 0.000 2.171 144 N HA -0.070 4.675 4.740 0.008 0.000 0.184 144 N C 1.432 176.941 175.510 -0.001 0.000 1.021 144 N CA 1.595 54.640 53.050 -0.008 0.000 0.854 144 N CB -0.288 38.189 38.487 -0.016 0.000 0.994 144 N HN 0.738 nan 8.380 nan 0.000 0.426 145 N N 0.059 118.764 118.700 0.009 0.000 2.177 145 N HA 0.001 4.746 4.740 0.008 0.000 0.218 145 N C -0.367 175.148 175.510 0.008 0.000 1.182 145 N CA 0.112 53.170 53.050 0.013 0.000 0.882 145 N CB 0.317 38.819 38.487 0.026 0.000 1.052 145 N HN -0.189 nan 8.380 nan 0.000 0.519 146 Q N -0.732 119.070 119.800 0.003 0.000 2.489 146 Q HA -0.207 4.137 4.340 0.008 0.000 0.259 146 Q C -0.834 175.144 176.000 -0.037 0.000 0.934 146 Q CA 0.904 56.701 55.803 -0.009 0.000 1.131 146 Q CB -2.227 26.510 28.738 -0.001 0.000 1.472 146 Q HN 0.672 nan 8.270 nan 0.000 0.560 147 R N 0.758 121.227 120.500 -0.052 0.000 2.598 147 R HA 0.569 4.914 4.340 0.008 0.000 0.279 147 R C 0.163 176.274 176.300 -0.315 0.000 0.984 147 R CA -0.758 55.223 56.100 -0.198 0.000 0.999 147 R CB 0.939 31.089 30.300 -0.250 0.000 1.114 147 R HN 0.022 nan 8.270 nan 0.000 0.493 148 N N 1.676 120.079 118.700 -0.495 0.000 2.321 148 N HA 0.343 5.088 4.740 0.008 0.000 0.299 148 N C -1.270 173.811 175.510 -0.715 0.000 1.048 148 N CA -0.388 52.344 53.050 -0.529 0.000 0.836 148 N CB 1.769 40.054 38.487 -0.336 0.000 1.269 148 N HN 0.412 nan 8.380 nan 0.000 0.486 149 Y N 0.167 120.284 120.300 -0.304 0.000 2.570 149 Y HA 0.522 5.076 4.550 0.008 0.000 0.345 149 Y C 0.205 176.076 175.900 -0.050 0.000 1.014 149 Y CA -1.066 56.946 58.100 -0.146 0.000 1.063 149 Y CB 1.758 40.141 38.460 -0.129 0.000 1.272 149 Y HN 0.135 nan 8.280 nan 0.000 0.477 150 M N 3.227 122.943 119.600 0.193 0.000 2.456 150 M HA 0.455 4.940 4.480 0.008 0.000 0.324 150 M C -1.146 175.283 176.300 0.216 0.000 1.124 150 M CA -0.704 54.727 55.300 0.219 0.000 0.959 150 M CB 1.501 34.195 32.600 0.156 0.000 1.692 150 M HN 0.711 nan 8.290 nan 0.000 0.444 151 F N 0.239 120.184 119.950 -0.008 0.000 2.613 151 F HA 0.905 5.437 4.527 0.008 0.000 0.314 151 F C -0.953 174.726 175.800 -0.201 0.000 1.075 151 F CA -0.945 56.981 58.000 -0.122 0.000 0.945 151 F CB 1.541 40.454 39.000 -0.145 0.000 1.310 151 F HN 0.559 nan 8.300 nan 0.000 0.467 152 E N 0.777 120.690 120.200 -0.478 0.000 2.393 152 E HA 0.618 4.973 4.350 0.008 0.000 0.273 152 E C -1.735 174.488 176.600 -0.628 0.000 0.918 152 E CA -0.831 55.156 56.400 -0.688 0.000 0.773 152 E CB 2.005 31.169 29.700 -0.892 0.000 1.275 152 E HN 0.727 nan 8.360 nan 0.000 0.451 153 R N 3.058 123.347 120.500 -0.351 0.000 2.468 153 R HA 0.438 4.783 4.340 0.008 0.000 0.302 153 R C -0.737 175.513 176.300 -0.083 0.000 1.041 153 R CA -0.599 55.389 56.100 -0.187 0.000 0.899 153 R CB 0.856 31.137 30.300 -0.031 0.000 1.167 153 R HN 0.389 nan 8.270 nan 0.000 0.483 154 L N 2.820 124.038 121.223 -0.008 0.000 2.292 154 L HA 0.279 4.623 4.340 0.008 0.000 0.284 154 L C 0.093 177.047 176.870 0.140 0.000 1.065 154 L CA -0.842 54.076 54.840 0.131 0.000 0.806 154 L CB 0.943 43.153 42.059 0.251 0.000 1.175 154 L HN 0.394 nan 8.230 nan 0.000 0.431 155 D N 3.277 123.753 120.400 0.126 0.000 2.449 155 D HA 0.243 4.888 4.640 0.008 0.000 0.236 155 D C -0.261 176.120 176.300 0.134 0.000 1.149 155 D CA 0.455 54.515 54.000 0.101 0.000 0.878 155 D CB 0.906 41.755 40.800 0.081 0.000 1.198 155 D HN 0.227 nan 8.370 nan 0.000 0.446 156 L N 1.461 122.736 121.223 0.086 0.000 2.333 156 L HA 0.483 4.828 4.340 0.008 0.000 0.280 156 L C 1.125 178.030 176.870 0.057 0.000 1.004 156 L CA -0.835 54.053 54.840 0.080 0.000 0.820 156 L CB 1.892 43.967 42.059 0.026 0.000 1.247 156 L HN 0.306 nan 8.230 nan 0.000 0.416 157 G N 1.889 110.732 108.800 0.070 0.000 2.580 157 G HA2 0.410 4.374 3.960 0.008 0.000 0.278 157 G HA3 0.410 4.374 3.960 0.008 0.000 0.278 157 G C -0.127 174.792 174.900 0.032 0.000 1.212 157 G CA -0.582 44.548 45.100 0.050 0.000 0.939 157 G HN 0.298 nan 8.290 nan 0.000 0.513 158 V N 0.891 120.821 119.914 0.025 0.000 2.557 158 V HA 0.337 4.462 4.120 0.008 0.000 0.301 158 V C 1.704 177.812 176.094 0.023 0.000 1.026 158 V CA 1.632 63.944 62.300 0.020 0.000 1.137 158 V CB 0.289 32.122 31.823 0.017 0.000 0.917 158 V HN 1.785 nan 8.190 nan 0.000 0.484 159 G N 3.508 112.321 108.800 0.022 0.000 2.166 159 G HA2 -0.299 3.666 3.960 0.008 0.000 0.260 159 G HA3 -0.299 3.666 3.960 0.008 0.000 0.260 159 G C 0.219 175.121 174.900 0.005 0.000 0.986 159 G CA 0.512 45.627 45.100 0.025 0.000 0.683 159 G HN 0.890 nan 8.290 nan 0.000 0.527 160 E N 1.486 121.686 120.200 0.001 0.000 2.180 160 E HA 0.477 4.832 4.350 0.008 0.000 0.283 160 E C 0.804 177.357 176.600 -0.077 0.000 1.061 160 E CA 0.218 56.609 56.400 -0.015 0.000 0.861 160 E CB 0.311 30.027 29.700 0.026 0.000 1.056 160 E HN 0.388 nan 8.360 nan 0.000 0.407 161 T N 0.458 114.935 114.554 -0.128 0.000 2.945 161 T HA 0.575 4.930 4.350 0.008 0.000 0.286 161 T C -0.211 174.262 174.700 -0.377 0.000 1.025 161 T CA -0.898 61.022 62.100 -0.301 0.000 1.039 161 T CB 1.663 70.257 68.868 -0.457 0.000 1.068 161 T HN 0.164 nan 8.240 nan 0.000 0.497 162 V N 2.030 121.580 119.914 -0.606 0.000 2.604 162 V HA 0.602 4.726 4.120 0.008 0.000 0.305 162 V C -1.351 174.305 176.094 -0.729 0.000 1.043 162 V CA -0.868 61.135 62.300 -0.495 0.000 0.888 162 V CB 1.170 32.734 31.823 -0.431 0.000 0.995 162 V HN 0.956 nan 8.190 nan 0.000 0.429 163 Y N 1.525 121.692 120.300 -0.220 0.000 2.609 163 Y HA 0.873 5.427 4.550 0.008 0.000 0.342 163 Y C 0.807 176.569 175.900 -0.229 0.000 1.058 163 Y CA 0.225 58.198 58.100 -0.212 0.000 1.055 163 Y CB 2.321 40.666 38.460 -0.190 0.000 1.292 163 Y HN 0.975 nan 8.280 nan 0.000 0.476 164 G N 0.095 108.868 108.800 -0.045 0.000 2.601 164 G HA2 -0.180 3.785 3.960 0.008 0.000 0.224 164 G HA3 -0.180 3.785 3.960 0.008 0.000 0.224 164 G C -0.221 174.580 174.900 -0.164 0.000 1.171 164 G CA -0.305 44.736 45.100 -0.099 0.000 1.009 164 G HN 1.178 nan 8.290 nan 0.000 0.589 165 L N -0.009 121.112 121.223 -0.171 0.000 4.089 165 L HA 0.041 4.385 4.340 0.008 0.000 0.408 165 L C 1.411 178.201 176.870 -0.133 0.000 1.184 165 L CA 1.475 56.188 54.840 -0.211 0.000 0.947 165 L CB -1.843 39.991 42.059 -0.375 0.000 2.066 165 L HN 2.876 nan 8.230 nan 0.000 0.851 166 G N -0.104 108.629 108.800 -0.112 0.000 2.466 166 G HA2 -0.167 3.797 3.960 0.008 0.000 0.316 166 G HA3 -0.167 3.797 3.960 0.008 0.000 0.316 166 G C -0.498 174.235 174.900 -0.278 0.000 1.270 166 G CA 0.043 45.047 45.100 -0.160 0.000 0.982 166 G HN 0.348 nan 8.290 nan 0.000 0.506 167 E N 0.994 120.982 120.200 -0.353 0.000 1.932 167 E HA 0.404 4.758 4.350 0.008 0.000 0.275 167 E C 0.490 176.694 176.600 -0.659 0.000 1.159 167 E CA -0.248 55.861 56.400 -0.485 0.000 0.905 167 E CB -0.008 29.463 29.700 -0.381 0.000 1.059 167 E HN 0.461 nan 8.360 nan 0.000 0.400 168 R N 3.314 123.416 120.500 -0.664 0.000 2.778 168 R HA 0.331 4.676 4.340 0.008 0.000 0.277 168 R C -0.192 175.681 176.300 -0.712 0.000 0.977 168 R CA -0.672 55.044 56.100 -0.640 0.000 0.950 168 R CB 0.839 30.968 30.300 -0.285 0.000 1.165 168 R HN 0.468 nan 8.270 nan 0.000 0.474 169 F N -0.333 119.612 119.950 -0.009 0.000 2.678 169 F HA 0.051 4.584 4.527 0.009 0.000 0.305 169 F C 1.490 177.292 175.800 0.003 0.000 1.090 169 F CA -0.340 57.669 58.000 0.016 0.000 1.272 169 F CB 0.193 39.229 39.000 0.060 0.000 1.060 169 F HN 0.493 nan 8.300 nan 0.000 0.576 170 T N -0.650 113.958 114.554 0.088 0.000 2.715 170 T HA 0.530 4.885 4.350 0.008 0.000 0.320 170 T C 0.784 175.487 174.700 0.005 0.000 1.046 170 T CA -0.511 61.615 62.100 0.043 0.000 0.983 170 T CB 0.417 69.291 68.868 0.009 0.000 1.183 170 T HN 0.175 nan 8.240 nan 0.000 0.522 171 A N 0.366 123.181 122.820 -0.008 0.000 2.565 171 A HA 0.273 4.598 4.320 0.008 0.000 0.237 171 A C 1.395 178.957 177.584 -0.038 0.000 1.053 171 A CA -0.392 51.637 52.037 -0.014 0.000 0.755 171 A CB -0.581 18.412 19.000 -0.011 0.000 0.980 171 A HN 0.978 nan 8.150 nan 0.000 0.506 172 L N 4.107 125.319 121.223 -0.019 0.000 1.990 172 L HA -0.097 4.248 4.340 0.008 0.000 0.213 172 L C 1.051 177.857 176.870 -0.106 0.000 1.072 172 L CA 1.935 56.761 54.840 -0.025 0.000 0.755 172 L CB -0.450 41.637 42.059 0.046 0.000 0.889 172 L HN 0.473 nan 8.230 nan 0.000 0.432 173 V N 0.818 120.641 119.914 -0.152 0.000 2.508 173 V HA 0.038 4.163 4.120 0.008 0.000 0.281 173 V C 1.468 177.398 176.094 -0.272 0.000 1.041 173 V CA 0.031 62.099 62.300 -0.387 0.000 1.016 173 V CB 1.035 32.639 31.823 -0.363 0.000 0.984 173 V HN 0.337 nan 8.190 nan 0.000 0.478 174 R N 2.812 123.093 120.500 -0.365 0.000 2.193 174 R HA 0.060 4.404 4.340 0.008 0.000 0.213 174 R C 0.502 176.682 176.300 -0.199 0.000 1.055 174 R CA 0.153 56.096 56.100 -0.261 0.000 0.995 174 R CB -0.232 29.883 30.300 -0.309 0.000 0.893 174 R HN 0.760 nan 8.270 nan 0.000 0.459 175 N N 0.117 118.697 118.700 -0.201 0.000 2.359 175 N HA 0.122 4.867 4.740 0.008 0.000 0.261 175 N C 0.839 176.298 175.510 -0.086 0.000 1.267 175 N CA 1.474 54.444 53.050 -0.134 0.000 0.864 175 N CB 0.655 39.079 38.487 -0.104 0.000 1.063 175 N HN 0.311 nan 8.380 nan 0.000 0.474 176 G N 0.749 109.504 108.800 -0.075 0.000 2.194 176 G HA2 -0.249 3.715 3.960 0.008 0.000 0.236 176 G HA3 -0.249 3.715 3.960 0.008 0.000 0.236 176 G C -0.213 174.656 174.900 -0.052 0.000 0.987 176 G CA -0.298 44.768 45.100 -0.057 0.000 0.635 176 G HN 0.576 nan 8.290 nan 0.000 0.520 177 Q N 0.587 120.350 119.800 -0.061 0.000 2.266 177 Q HA 0.603 4.948 4.340 0.008 0.000 0.261 177 Q C -0.599 175.385 176.000 -0.027 0.000 0.985 177 Q CA -0.429 55.346 55.803 -0.046 0.000 0.873 177 Q CB 1.729 30.432 28.738 -0.059 0.000 1.306 177 Q HN 0.146 nan 8.270 nan 0.000 0.447 178 T N 1.562 116.112 114.554 -0.006 0.000 2.780 178 T HA 0.358 4.713 4.350 0.008 0.000 0.294 178 T C -0.730 173.997 174.700 0.045 0.000 0.949 178 T CA -0.467 61.647 62.100 0.024 0.000 1.074 178 T CB 0.776 69.650 68.868 0.011 0.000 0.910 178 T HN 0.392 nan 8.240 nan 0.000 0.501 179 V N 3.456 123.431 119.914 0.102 0.000 2.577 179 V HA 0.591 4.715 4.120 0.008 0.000 0.303 179 V C -1.175 175.060 176.094 0.234 0.000 1.042 179 V CA -0.804 61.566 62.300 0.118 0.000 0.872 179 V CB 1.982 33.816 31.823 0.018 0.000 0.998 179 V HN 0.791 nan 8.190 nan 0.000 0.423 180 E N 4.051 124.370 120.200 0.198 0.000 2.133 180 E HA 0.298 4.652 4.350 0.008 0.000 0.274 180 E C -0.122 176.663 176.600 0.309 0.000 0.930 180 E CA -0.399 56.143 56.400 0.237 0.000 0.770 180 E CB 1.664 31.453 29.700 0.148 0.000 1.104 180 E HN 0.891 nan 8.360 nan 0.000 0.403 181 T N 0.949 115.737 114.554 0.390 0.000 3.185 181 T HA 0.231 4.586 4.350 0.008 0.000 0.287 181 T C -0.272 174.745 174.700 0.528 0.000 1.051 181 T CA -0.695 61.648 62.100 0.405 0.000 1.051 181 T CB -0.250 68.876 68.868 0.431 0.000 1.034 181 T HN 0.476 nan 8.240 nan 0.000 0.685 182 W N 4.213 125.640 121.300 0.212 0.000 2.835 182 W HA 0.267 4.931 4.660 0.007 0.000 0.326 182 W C -1.317 175.382 176.519 0.300 0.000 1.024 182 W CA -0.981 56.514 57.345 0.252 0.000 1.267 182 W CB 1.270 30.810 29.460 0.134 0.000 1.267 182 W HN 0.384 nan 8.180 nan 0.000 0.412 183 N N 5.003 123.769 118.700 0.110 0.000 2.412 183 N HA 0.107 4.851 4.740 0.008 0.000 0.258 183 N C -0.299 175.284 175.510 0.122 0.000 1.236 183 N CA 0.741 53.830 53.050 0.065 0.000 0.882 183 N CB 0.625 39.066 38.487 -0.076 0.000 1.066 183 N HN 0.386 nan 8.380 nan 0.000 0.465 184 R N 0.310 120.891 120.500 0.134 0.000 2.739 184 R HA 0.205 4.550 4.340 0.008 0.000 0.271 184 R C -1.301 175.039 176.300 0.067 0.000 1.010 184 R CA -0.797 55.398 56.100 0.158 0.000 0.897 184 R CB 1.556 31.969 30.300 0.188 0.000 1.236 184 R HN 0.375 nan 8.270 nan 0.000 0.466 185 D N 0.950 121.436 120.400 0.142 0.000 2.499 185 D HA 0.232 4.877 4.640 0.008 0.000 0.225 185 D C 0.208 176.530 176.300 0.036 0.000 1.124 185 D CA -0.043 54.025 54.000 0.114 0.000 0.938 185 D CB 0.796 41.774 40.800 0.297 0.000 1.014 185 D HN 0.735 nan 8.370 nan 0.000 0.517 186 G N 1.509 110.199 108.800 -0.182 0.000 3.377 186 G HA2 0.488 4.453 3.960 0.008 0.000 0.257 186 G HA3 0.488 4.453 3.960 0.008 0.000 0.257 186 G C 0.861 175.706 174.900 -0.092 0.000 1.038 186 G CA 0.177 45.233 45.100 -0.073 0.000 0.809 186 G HN 0.819 nan 8.290 nan 0.000 0.526 187 G N 0.343 109.040 108.800 -0.171 0.000 2.598 187 G HA2 -0.087 3.878 3.960 0.008 0.000 0.244 187 G HA3 -0.087 3.878 3.960 0.008 0.000 0.244 187 G C 0.853 175.605 174.900 -0.248 0.000 1.302 187 G CA 0.920 46.015 45.100 -0.009 0.000 0.903 187 G HN 1.200 nan 8.290 nan 0.000 0.575 188 T N -3.368 111.011 114.554 -0.293 0.000 3.084 188 T HA 0.524 4.878 4.350 0.008 0.000 0.270 188 T C 1.526 175.941 174.700 -0.476 0.000 1.008 188 T CA 1.169 62.646 62.100 -1.039 0.000 0.900 188 T CB 0.112 68.457 68.868 -0.872 0.000 1.084 188 T HN 1.804 nan 8.240 nan 0.000 0.538 189 S N 0.660 116.287 115.700 -0.122 0.000 2.593 189 S HA 0.331 4.806 4.470 0.008 0.000 0.236 189 S C 0.721 175.342 174.600 0.037 0.000 0.991 189 S CA -0.035 58.161 58.200 -0.006 0.000 0.963 189 S CB -0.047 63.147 63.200 -0.009 0.000 0.865 189 S HN 0.720 nan 8.310 nan 0.000 0.488 190 T N -1.065 113.528 114.554 0.065 0.000 2.742 190 T HA 0.473 4.828 4.350 0.008 0.000 0.282 190 T C 0.686 175.464 174.700 0.129 0.000 1.025 190 T CA -0.258 61.891 62.100 0.082 0.000 1.020 190 T CB 1.397 70.302 68.868 0.062 0.000 1.317 190 T HN 0.015 nan 8.240 nan 0.000 0.538 191 E N 0.133 120.390 120.200 0.095 0.000 2.418 191 E HA -0.057 4.298 4.350 0.008 0.000 0.197 191 E C 0.252 176.912 176.600 0.101 0.000 1.026 191 E CA 0.534 56.987 56.400 0.089 0.000 0.862 191 E CB -0.263 29.473 29.700 0.061 0.000 0.799 191 E HN 0.736 nan 8.360 nan 0.000 0.518 192 Q N 0.235 120.099 119.800 0.108 0.000 2.368 192 Q HA 0.550 4.895 4.340 0.008 0.000 0.237 192 Q C -0.642 175.418 176.000 0.099 0.000 0.987 192 Q CA -0.053 55.806 55.803 0.094 0.000 0.896 192 Q CB 1.433 30.210 28.738 0.064 0.000 1.241 192 Q HN 0.267 nan 8.270 nan 0.000 0.485 193 A N 0.832 123.685 122.820 0.056 0.000 2.449 193 A HA 0.434 4.759 4.320 0.008 0.000 0.302 193 A C -1.070 176.519 177.584 0.008 0.000 1.048 193 A CA -0.653 51.408 52.037 0.041 0.000 0.708 193 A CB 0.520 19.523 19.000 0.005 0.000 1.274 193 A HN 0.804 nan 8.150 nan 0.000 0.410 194 Y N 0.832 121.196 120.300 0.108 0.000 2.395 194 Y HA 0.087 4.642 4.550 0.007 0.000 0.293 194 Y C 0.716 176.605 175.900 -0.017 0.000 1.123 194 Y CA 1.200 59.315 58.100 0.025 0.000 1.227 194 Y CB 0.197 38.621 38.460 -0.059 0.000 1.012 194 Y HN 0.499 nan 8.280 nan 0.000 0.552 195 K N 1.505 121.972 120.400 0.112 0.000 2.530 195 K HA 0.238 4.563 4.320 0.008 0.000 0.230 195 K C -1.081 175.488 176.600 -0.053 0.000 1.002 195 K CA -0.282 55.985 56.287 -0.034 0.000 1.014 195 K CB 0.678 33.041 32.500 -0.228 0.000 1.286 195 K HN 0.069 nan 8.250 nan 0.000 0.480 196 N N 3.568 122.293 118.700 0.041 0.000 2.443 196 N HA 0.446 5.191 4.740 0.008 0.000 0.295 196 N C -0.769 174.813 175.510 0.120 0.000 1.076 196 N CA -0.456 52.643 53.050 0.082 0.000 0.919 196 N CB 1.701 40.292 38.487 0.174 0.000 1.176 196 N HN 0.277 nan 8.380 nan 0.000 0.487 197 I N 2.820 123.454 120.570 0.107 0.000 2.548 197 I HA 0.218 4.393 4.170 0.008 0.000 0.287 197 I C -2.282 173.929 176.117 0.157 0.000 1.103 197 I CA -1.960 59.427 61.300 0.146 0.000 1.049 197 I CB 2.188 40.277 38.000 0.148 0.000 1.232 197 I HN 0.228 nan 8.210 nan 0.000 0.429 198 P HA 0.140 nan 4.420 nan 0.000 0.228 198 P C -0.593 176.893 177.300 0.309 0.000 1.748 198 P CA 0.135 63.465 63.100 0.385 0.000 0.909 198 P CB -0.565 31.495 31.700 0.599 0.000 1.882 199 F N 2.867 122.781 119.950 -0.059 0.000 2.507 199 F HA 0.535 5.067 4.527 0.008 0.000 0.325 199 F C -1.169 174.506 175.800 -0.208 0.000 1.116 199 F CA -1.390 56.505 58.000 -0.176 0.000 0.930 199 F CB 1.430 40.209 39.000 -0.368 0.000 1.146 199 F HN -0.033 nan 8.300 nan 0.000 0.447 200 Y N 5.292 124.975 120.300 -1.029 0.000 2.570 200 Y HA 0.823 5.378 4.550 0.008 0.000 0.345 200 Y C -1.119 174.060 175.900 -1.203 0.000 1.014 200 Y CA -1.778 55.746 58.100 -0.960 0.000 1.063 200 Y CB 1.491 39.611 38.460 -0.565 0.000 1.272 200 Y HN 0.784 nan 8.280 nan 0.000 0.477 201 M N 1.243 120.498 119.600 -0.574 0.000 2.691 201 M HA 0.850 5.335 4.480 0.008 0.000 0.293 201 M C -1.035 175.176 176.300 -0.149 0.000 1.259 201 M CA -0.718 54.314 55.300 -0.446 0.000 0.827 201 M CB 2.505 34.872 32.600 -0.389 0.000 1.753 201 M HN 0.865 nan 8.290 nan 0.000 0.465 202 T N -2.267 112.104 114.554 -0.304 0.000 2.926 202 T HA 0.400 4.755 4.350 0.008 0.000 0.289 202 T C 0.418 175.055 174.700 -0.104 0.000 1.054 202 T CA -0.650 61.350 62.100 -0.167 0.000 1.015 202 T CB 1.108 69.780 68.868 -0.325 0.000 1.167 202 T HN 0.848 nan 8.240 nan 0.000 0.526 203 N N 0.493 119.210 118.700 0.029 0.000 2.567 203 N HA -0.045 4.699 4.740 0.008 0.000 0.195 203 N C 0.756 176.248 175.510 -0.029 0.000 1.242 203 N CA -0.051 52.994 53.050 -0.009 0.000 0.884 203 N CB -0.310 38.199 38.487 0.037 0.000 1.007 203 N HN 0.476 nan 8.380 nan 0.000 0.450 204 R N -0.328 120.136 120.500 -0.061 0.000 2.432 204 R HA 0.211 4.556 4.340 0.008 0.000 0.260 204 R C 0.580 176.911 176.300 0.051 0.000 0.935 204 R CA 0.411 56.528 56.100 0.028 0.000 1.080 204 R CB -0.252 30.130 30.300 0.137 0.000 1.155 204 R HN 0.372 nan 8.270 nan 0.000 0.531 205 G N 1.976 110.746 108.800 -0.050 0.000 2.248 205 G HA2 -0.302 3.663 3.960 0.008 0.000 0.263 205 G HA3 -0.302 3.663 3.960 0.008 0.000 0.263 205 G C -0.367 174.579 174.900 0.077 0.000 1.082 205 G CA 0.783 45.879 45.100 -0.008 0.000 0.863 205 G HN 0.493 nan 8.290 nan 0.000 0.495 206 Y N -2.375 117.917 120.300 -0.014 0.000 2.644 206 Y HA 0.840 5.395 4.550 0.008 0.000 0.338 206 Y C 0.320 176.165 175.900 -0.092 0.000 1.119 206 Y CA -1.357 56.723 58.100 -0.032 0.000 1.060 206 Y CB 0.880 39.321 38.460 -0.032 0.000 1.294 206 Y HN 0.693 nan 8.280 nan 0.000 0.472 207 G N -0.046 108.793 108.800 0.065 0.000 2.605 207 G HA2 0.604 4.568 3.960 0.008 0.000 0.296 207 G HA3 0.604 4.568 3.960 0.008 0.000 0.296 207 G C -1.998 172.811 174.900 -0.152 0.000 1.304 207 G CA -0.854 44.118 45.100 -0.214 0.000 0.941 207 G HN 1.427 nan 8.290 nan 0.000 0.475 208 V N 0.663 120.222 119.914 -0.592 0.000 2.668 208 V HA 0.749 4.873 4.120 0.008 0.000 0.304 208 V C -1.634 174.381 176.094 -0.131 0.000 1.071 208 V CA -0.918 61.171 62.300 -0.351 0.000 0.894 208 V CB 1.429 33.016 31.823 -0.393 0.000 1.008 208 V HN 0.888 nan 8.190 nan 0.000 0.425 209 L N 7.498 128.899 121.223 0.297 0.000 2.287 209 L HA 0.743 5.087 4.340 0.008 0.000 0.287 209 L C -0.650 176.451 176.870 0.385 0.000 1.022 209 L CA -0.000 55.112 54.840 0.453 0.000 0.814 209 L CB 1.783 44.223 42.059 0.635 0.000 1.217 209 L HN 0.578 nan 8.230 nan 0.000 0.420 210 V N 5.065 125.160 119.914 0.302 0.000 2.364 210 V HA 0.271 4.395 4.120 0.008 0.000 0.272 210 V C 0.385 176.746 176.094 0.444 0.000 1.036 210 V CA -0.517 61.943 62.300 0.267 0.000 0.880 210 V CB 0.950 32.780 31.823 0.012 0.000 0.991 210 V HN 0.815 nan 8.190 nan 0.000 0.460 211 N N 4.449 123.371 118.700 0.369 0.000 3.303 211 N HA 0.089 4.834 4.740 0.008 0.000 0.304 211 N C -0.413 175.040 175.510 -0.096 0.000 1.302 211 N CA 0.013 53.263 53.050 0.334 0.000 1.213 211 N CB -0.365 38.361 38.487 0.399 0.000 1.481 211 N HN 0.717 nan 8.380 nan 0.000 0.546 212 H N 0.143 119.402 119.070 0.314 0.000 3.018 212 H HA 0.223 4.784 4.556 0.008 0.000 0.334 212 H C -2.031 173.268 175.328 -0.048 0.000 0.983 212 H CA -1.336 54.758 56.048 0.077 0.000 1.363 212 H CB 2.202 32.024 29.762 0.099 0.000 1.668 212 H HN 0.208 nan 8.280 nan 0.000 0.513 213 P HA -0.142 nan 4.420 nan 0.000 0.223 213 P C 1.022 178.417 177.300 0.158 0.000 1.151 213 P CA 0.905 63.829 63.100 -0.292 0.000 0.787 213 P CB 0.508 31.908 31.700 -0.500 0.000 0.788 214 Q N -0.282 119.639 119.800 0.201 0.000 2.527 214 Q HA 0.008 4.352 4.340 0.008 0.000 0.189 214 Q C 0.126 176.374 176.000 0.412 0.000 1.116 214 Q CA -0.314 55.690 55.803 0.336 0.000 1.169 214 Q CB -0.706 28.164 28.738 0.221 0.000 1.211 214 Q HN -0.042 nan 8.270 nan 0.000 0.649 215 C N 1.339 120.879 119.300 0.400 0.000 2.638 215 C HA 0.278 4.743 4.460 0.008 0.000 0.410 215 C C -0.010 175.086 174.990 0.176 0.000 1.404 215 C CA -0.305 58.885 59.018 0.286 0.000 1.651 215 C CB -1.327 26.355 27.740 -0.097 0.000 2.495 215 C HN 0.428 nan 8.230 nan 0.000 0.606 216 V N 6.998 127.049 119.914 0.228 0.000 2.398 216 V HA 0.388 4.513 4.120 0.008 0.000 0.286 216 V C 0.317 176.456 176.094 0.075 0.000 1.026 216 V CA -0.079 62.281 62.300 0.099 0.000 0.868 216 V CB 1.831 33.715 31.823 0.102 0.000 0.982 216 V HN 0.898 nan 8.190 nan 0.000 0.443 217 S N 5.184 120.856 115.700 -0.046 0.000 2.420 217 S HA 0.628 5.103 4.470 0.008 0.000 0.313 217 S C -0.834 173.727 174.600 -0.065 0.000 1.079 217 S CA -0.433 57.766 58.200 -0.002 0.000 1.104 217 S CB -0.186 62.982 63.200 -0.053 0.000 0.969 217 S HN 0.386 nan 8.310 nan 0.000 0.471 218 F N 3.128 123.129 119.950 0.086 0.000 2.408 218 F HA 0.415 4.946 4.527 0.008 0.000 0.344 218 F C 0.888 176.694 175.800 0.010 0.000 1.112 218 F CA -0.624 57.427 58.000 0.085 0.000 1.096 218 F CB 1.210 40.244 39.000 0.057 0.000 1.129 218 F HN 0.404 nan 8.300 nan 0.000 0.486 219 E N 3.568 123.854 120.200 0.143 0.000 2.121 219 E HA 0.235 4.590 4.350 0.008 0.000 0.255 219 E C -0.945 175.675 176.600 0.033 0.000 0.906 219 E CA -0.369 56.060 56.400 0.049 0.000 0.745 219 E CB 1.816 31.504 29.700 -0.021 0.000 1.155 219 E HN 0.246 nan 8.360 nan 0.000 0.424 220 V N 1.933 121.849 119.914 0.003 0.000 2.299 220 V HA 0.218 4.343 4.120 0.008 0.000 0.255 220 V C 1.359 177.402 176.094 -0.086 0.000 1.100 220 V CA 0.242 62.496 62.300 -0.076 0.000 0.938 220 V CB 0.259 31.987 31.823 -0.159 0.000 1.139 220 V HN 0.939 nan 8.190 nan 0.000 0.490 221 G N 4.583 113.340 108.800 -0.072 0.000 2.233 221 G HA2 -0.310 3.655 3.960 0.008 0.000 0.270 221 G HA3 -0.310 3.655 3.960 0.008 0.000 0.270 221 G C 0.837 175.702 174.900 -0.058 0.000 1.011 221 G CA 0.819 45.880 45.100 -0.065 0.000 0.762 221 G HN 1.004 nan 8.290 nan 0.000 0.511 222 S N -2.025 113.643 115.700 -0.053 0.000 2.512 222 S HA 0.352 4.826 4.470 0.008 0.000 0.216 222 S C 1.389 175.955 174.600 -0.056 0.000 1.006 222 S CA 0.853 59.024 58.200 -0.050 0.000 0.915 222 S CB 0.644 63.820 63.200 -0.040 0.000 0.824 222 S HN 0.638 nan 8.310 nan 0.000 0.497 223 E N 1.018 121.180 120.200 -0.065 0.000 2.280 223 E HA 0.187 4.541 4.350 0.008 0.000 0.197 223 E C -0.505 176.043 176.600 -0.086 0.000 0.913 223 E CA 0.067 56.418 56.400 -0.082 0.000 0.995 223 E CB 0.500 30.140 29.700 -0.101 0.000 0.991 223 E HN 0.035 nan 8.360 nan 0.000 0.484 224 K N 2.281 122.633 120.400 -0.080 0.000 2.316 224 K HA 0.146 4.470 4.320 0.008 0.000 0.267 224 K C 0.933 177.495 176.600 -0.063 0.000 1.025 224 K CA -0.057 56.183 56.287 -0.078 0.000 0.896 224 K CB 1.783 34.239 32.500 -0.073 0.000 1.124 224 K HN 0.191 nan 8.250 nan 0.000 0.451 225 V N 0.363 120.239 119.914 -0.063 0.000 2.720 225 V HA -0.147 3.978 4.120 0.008 0.000 0.256 225 V C 1.097 177.164 176.094 -0.045 0.000 1.082 225 V CA 1.900 64.168 62.300 -0.053 0.000 1.101 225 V CB -0.521 31.273 31.823 -0.049 0.000 0.693 225 V HN 0.621 nan 8.190 nan 0.000 0.479 226 S N -1.315 114.361 115.700 -0.040 0.000 2.588 226 S HA 0.519 4.994 4.470 0.008 0.000 0.245 226 S C -0.017 174.576 174.600 -0.011 0.000 1.021 226 S CA -0.645 57.541 58.200 -0.024 0.000 1.006 226 S CB -0.207 62.982 63.200 -0.020 0.000 0.830 226 S HN 0.691 nan 8.310 nan 0.000 0.468 227 K N 0.325 120.713 120.400 -0.020 0.000 2.508 227 K HA 0.612 4.936 4.320 0.008 0.000 0.260 227 K C -1.593 174.998 176.600 -0.015 0.000 0.949 227 K CA -0.696 55.589 56.287 -0.003 0.000 0.834 227 K CB 2.539 35.034 32.500 -0.009 0.000 1.365 227 K HN 0.047 nan 8.250 nan 0.000 0.437 228 V N 2.504 122.427 119.914 0.015 0.000 2.350 228 V HA 0.268 4.392 4.120 0.008 0.000 0.276 228 V C -0.336 175.803 176.094 0.074 0.000 1.028 228 V CA -0.589 61.724 62.300 0.021 0.000 0.860 228 V CB 1.101 32.887 31.823 -0.062 0.000 0.990 228 V HN 0.648 nan 8.190 nan 0.000 0.453 229 Q N 5.047 124.870 119.800 0.039 0.000 2.241 229 Q HA 0.667 5.012 4.340 0.008 0.000 0.254 229 Q C -1.476 174.527 176.000 0.004 0.000 0.917 229 Q CA -0.531 55.231 55.803 -0.067 0.000 0.919 229 Q CB 1.436 30.137 28.738 -0.062 0.000 1.237 229 Q HN 0.721 nan 8.270 nan 0.000 0.434 230 F N 0.348 120.233 119.950 -0.108 0.000 2.578 230 F HA 0.754 5.286 4.527 0.008 0.000 0.311 230 F C -0.936 174.761 175.800 -0.171 0.000 1.094 230 F CA -0.926 56.867 58.000 -0.345 0.000 0.923 230 F CB 1.666 40.229 39.000 -0.728 0.000 1.230 230 F HN 0.462 nan 8.300 nan 0.000 0.450 231 S N 1.588 117.277 115.700 -0.018 0.000 2.556 231 S HA 0.878 5.352 4.470 0.008 0.000 0.271 231 S C -1.861 172.742 174.600 0.005 0.000 1.135 231 S CA -0.788 57.430 58.200 0.030 0.000 0.858 231 S CB 1.759 64.951 63.200 -0.013 0.000 1.114 231 S HN 1.548 nan 8.310 nan 0.000 0.468 232 V N 0.619 120.550 119.914 0.030 0.000 3.012 232 V HA 0.555 4.680 4.120 0.008 0.000 0.307 232 V C -1.067 175.041 176.094 0.024 0.000 1.166 232 V CA -0.681 61.594 62.300 -0.041 0.000 0.974 232 V CB 1.937 33.557 31.823 -0.339 0.000 1.040 232 V HN 1.137 nan 8.190 nan 0.000 0.428 233 E N 3.524 123.719 120.200 -0.009 0.000 2.029 233 E HA 0.528 4.883 4.350 0.008 0.000 0.276 233 E C -0.581 175.893 176.600 -0.210 0.000 1.163 233 E CA 0.321 56.560 56.400 -0.268 0.000 0.909 233 E CB 0.442 29.965 29.700 -0.295 0.000 1.046 233 E HN 0.784 nan 8.360 nan 0.000 0.406 234 S N 3.129 118.718 115.700 -0.186 0.000 2.586 234 S HA 0.069 4.544 4.470 0.008 0.000 0.277 234 S C -0.084 174.528 174.600 0.021 0.000 1.131 234 S CA -0.716 57.410 58.200 -0.123 0.000 0.848 234 S CB 1.203 64.203 63.200 -0.334 0.000 1.091 234 S HN 0.532 nan 8.310 nan 0.000 0.453 235 E N 0.885 121.168 120.200 0.139 0.000 2.482 235 E HA 0.130 4.484 4.350 0.008 0.000 0.196 235 E C -0.198 176.585 176.600 0.304 0.000 1.047 235 E CA 0.699 57.257 56.400 0.263 0.000 0.869 235 E CB -0.034 29.838 29.700 0.287 0.000 0.836 235 E HN 0.606 nan 8.360 nan 0.000 0.520 236 Y N -1.897 118.517 120.300 0.189 0.000 2.588 236 Y HA 0.609 5.163 4.550 0.008 0.000 0.343 236 Y C -1.314 174.736 175.900 0.250 0.000 1.065 236 Y CA -1.776 56.443 58.100 0.198 0.000 1.038 236 Y CB 0.959 39.514 38.460 0.159 0.000 1.297 236 Y HN -0.210 nan 8.280 nan 0.000 0.467 237 L N 2.415 123.788 121.223 0.250 0.000 2.385 237 L HA 0.623 4.968 4.340 0.008 0.000 0.273 237 L C -1.226 175.946 176.870 0.504 0.000 0.990 237 L CA -0.593 54.449 54.840 0.335 0.000 0.821 237 L CB 2.025 44.253 42.059 0.281 0.000 1.279 237 L HN 0.907 nan 8.230 nan 0.000 0.412 238 E N 3.846 124.404 120.200 0.597 0.000 2.224 238 E HA 0.525 4.880 4.350 0.008 0.000 0.265 238 E C -1.976 174.730 176.600 0.177 0.000 0.878 238 E CA -0.627 55.911 56.400 0.230 0.000 0.759 238 E CB 1.380 31.177 29.700 0.161 0.000 1.164 238 E HN 0.578 nan 8.360 nan 0.000 0.414 239 Y N 1.441 121.669 120.300 -0.119 0.000 2.581 239 Y HA 0.678 5.232 4.550 0.008 0.000 0.345 239 Y C -1.699 173.943 175.900 -0.430 0.000 1.036 239 Y CA -1.496 56.520 58.100 -0.139 0.000 1.042 239 Y CB 0.972 39.481 38.460 0.081 0.000 1.289 239 Y HN 0.230 nan 8.280 nan 0.000 0.471 240 F N 1.583 121.658 119.950 0.207 0.000 2.467 240 F HA 0.607 5.139 4.527 0.008 0.000 0.336 240 F C -0.560 175.277 175.800 0.061 0.000 1.123 240 F CA -1.285 56.744 58.000 0.049 0.000 0.964 240 F CB 1.992 41.055 39.000 0.106 0.000 1.136 240 F HN 0.331 nan 8.300 nan 0.000 0.447 241 V N 5.232 125.192 119.914 0.076 0.000 2.406 241 V HA 0.329 4.454 4.120 0.008 0.000 0.272 241 V C 0.149 176.262 176.094 0.032 0.000 1.043 241 V CA -0.492 61.773 62.300 -0.057 0.000 0.915 241 V CB 1.030 32.580 31.823 -0.455 0.000 0.988 241 V HN 0.537 nan 8.190 nan 0.000 0.466 242 I N 3.778 124.404 120.570 0.093 0.000 2.382 242 I HA 0.349 4.524 4.170 0.008 0.000 0.286 242 I C -0.150 176.035 176.117 0.114 0.000 1.002 242 I CA -0.520 60.844 61.300 0.106 0.000 1.135 242 I CB 1.659 39.779 38.000 0.199 0.000 1.288 242 I HN 0.509 nan 8.210 nan 0.000 0.448 243 D N 4.264 124.706 120.400 0.070 0.000 2.362 243 D HA 0.313 4.958 4.640 0.008 0.000 0.242 243 D C 0.625 176.967 176.300 0.070 0.000 1.132 243 D CA 0.257 54.303 54.000 0.076 0.000 0.907 243 D CB 1.726 42.550 40.800 0.040 0.000 1.195 243 D HN 0.625 nan 8.370 nan 0.000 0.429 244 G N 1.024 109.867 108.800 0.071 0.000 2.766 244 G HA2 0.119 4.083 3.960 0.008 0.000 0.206 244 G HA3 0.119 4.083 3.960 0.008 0.000 0.206 244 G C -1.545 173.367 174.900 0.020 0.000 2.072 244 G CA -0.160 44.964 45.100 0.040 0.000 0.798 244 G HN 0.586 nan 8.290 nan 0.000 0.703 245 P HA 0.203 nan 4.420 nan 0.000 0.255 245 P C -0.022 177.287 177.300 0.015 0.000 1.301 245 P CA 0.666 63.784 63.100 0.030 0.000 0.817 245 P CB 0.567 32.281 31.700 0.024 0.000 1.259 246 T N 0.644 115.197 114.554 -0.003 0.000 2.885 246 T HA 0.391 4.745 4.350 0.008 0.000 0.285 246 T C -1.961 172.717 174.700 -0.037 0.000 1.019 246 T CA -2.211 59.874 62.100 -0.026 0.000 1.010 246 T CB 1.735 70.582 68.868 -0.034 0.000 1.022 246 T HN -0.286 nan 8.240 nan 0.000 0.466 247 P HA -0.116 nan 4.420 nan 0.000 0.216 247 P C 1.115 178.379 177.300 -0.061 0.000 1.157 247 P CA 1.496 64.547 63.100 -0.082 0.000 0.880 247 P CB 0.202 31.820 31.700 -0.136 0.000 0.791 248 K N -0.911 119.448 120.400 -0.070 0.000 2.147 248 K HA -0.040 4.284 4.320 0.008 0.000 0.205 248 K C 2.108 178.682 176.600 -0.043 0.000 1.049 248 K CA 1.372 57.620 56.287 -0.064 0.000 0.936 248 K CB -0.516 31.938 32.500 -0.076 0.000 0.722 248 K HN 0.065 nan 8.250 nan 0.000 0.446 249 A N 0.818 123.618 122.820 -0.033 0.000 1.968 249 A HA -0.058 4.266 4.320 0.008 0.000 0.217 249 A C 2.283 179.869 177.584 0.004 0.000 1.169 249 A CA 0.877 52.903 52.037 -0.019 0.000 0.638 249 A CB -0.377 18.613 19.000 -0.016 0.000 0.812 249 A HN 0.041 nan 8.150 nan 0.000 0.446 250 V N 0.196 120.123 119.914 0.021 0.000 2.261 250 V HA -0.271 3.853 4.120 0.008 0.000 0.246 250 V C 2.524 178.671 176.094 0.087 0.000 1.047 250 V CA 2.077 64.421 62.300 0.073 0.000 1.015 250 V CB -0.753 31.121 31.823 0.085 0.000 0.642 250 V HN 0.585 nan 8.190 nan 0.000 0.446 251 L N -0.010 121.239 121.223 0.043 0.000 2.201 251 L HA -0.159 4.185 4.340 0.008 0.000 0.212 251 L C 2.348 179.215 176.870 -0.005 0.000 1.105 251 L CA 1.565 56.413 54.840 0.014 0.000 0.775 251 L CB -0.571 41.469 42.059 -0.032 0.000 0.913 251 L HN 0.421 nan 8.230 nan 0.000 0.440 252 D N 0.427 120.814 120.400 -0.021 0.000 2.084 252 D HA -0.178 4.466 4.640 0.008 0.000 0.194 252 D C 2.303 178.579 176.300 -0.040 0.000 0.990 252 D CA 1.466 55.440 54.000 -0.044 0.000 0.826 252 D CB 0.122 40.895 40.800 -0.044 0.000 0.971 252 D HN 0.093 nan 8.370 nan 0.000 0.453 253 R N -1.068 119.424 120.500 -0.014 0.000 2.073 253 R HA -0.176 4.169 4.340 0.008 0.000 0.234 253 R C 2.437 178.736 176.300 -0.002 0.000 1.134 253 R CA 1.343 57.432 56.100 -0.019 0.000 0.952 253 R CB -0.726 29.567 30.300 -0.012 0.000 0.850 253 R HN 0.336 nan 8.270 nan 0.000 0.433 254 Y N 2.055 122.288 120.300 -0.112 0.000 2.151 254 Y HA -0.284 4.270 4.550 0.008 0.000 0.284 254 Y C 2.555 178.313 175.900 -0.237 0.000 1.166 254 Y CA 2.177 60.154 58.100 -0.205 0.000 1.163 254 Y CB -0.419 37.738 38.460 -0.505 0.000 0.974 254 Y HN 0.153 nan 8.280 nan 0.000 0.511 255 T N -1.857 112.535 114.554 -0.270 0.000 2.978 255 T HA -0.079 4.275 4.350 0.008 0.000 0.262 255 T C 2.026 176.548 174.700 -0.296 0.000 1.063 255 T CA 0.937 62.812 62.100 -0.376 0.000 1.140 255 T CB -0.445 68.270 68.868 -0.255 0.000 0.886 255 T HN 0.387 nan 8.240 nan 0.000 0.470 256 R N -0.407 119.986 120.500 -0.179 0.000 2.091 256 R HA -0.085 4.260 4.340 0.008 0.000 0.238 256 R C 2.141 178.380 176.300 -0.102 0.000 1.136 256 R CA 1.378 57.404 56.100 -0.124 0.000 0.959 256 R CB -0.497 29.758 30.300 -0.076 0.000 0.856 256 R HN 0.406 nan 8.270 nan 0.000 0.437 257 F N 1.003 120.750 119.950 -0.339 0.000 2.128 257 F HA -0.102 4.430 4.527 0.008 0.000 0.295 257 F C 2.210 177.741 175.800 -0.448 0.000 1.100 257 F CA 2.026 59.800 58.000 -0.377 0.000 1.260 257 F CB -0.504 38.255 39.000 -0.402 0.000 1.009 257 F HN 0.159 nan 8.300 nan 0.000 0.476 258 T N -2.783 111.354 114.554 -0.695 0.000 2.971 258 T HA 0.533 4.888 4.350 0.008 0.000 0.252 258 T C 0.740 175.080 174.700 -0.601 0.000 1.022 258 T CA 0.339 61.948 62.100 -0.818 0.000 0.980 258 T CB 0.180 68.371 68.868 -1.127 0.000 1.044 258 T HN 0.535 nan 8.240 nan 0.000 0.501 259 G N 1.156 109.643 108.800 -0.521 0.000 2.249 259 G HA2 0.327 4.292 3.960 0.008 0.000 0.252 259 G HA3 0.327 4.292 3.960 0.008 0.000 0.252 259 G C -1.525 173.131 174.900 -0.406 0.000 1.697 259 G CA -1.249 43.593 45.100 -0.431 0.000 0.916 259 G HN 0.246 nan 8.290 nan 0.000 0.725 260 R N 1.631 121.946 120.500 -0.308 0.000 2.340 260 R HA 0.432 4.776 4.340 0.008 0.000 0.300 260 R C -2.404 173.736 176.300 -0.267 0.000 1.069 260 R CA -2.177 53.775 56.100 -0.247 0.000 0.984 260 R CB 0.626 30.831 30.300 -0.158 0.000 1.003 260 R HN 0.301 nan 8.270 nan 0.000 0.459 261 P HA -0.035 nan 4.420 nan 0.000 0.262 261 P C -0.461 176.830 177.300 -0.016 0.000 1.182 261 P CA 0.327 63.347 63.100 -0.133 0.000 0.761 261 P CB 0.535 32.211 31.700 -0.041 0.000 0.795 262 A N 3.732 126.521 122.820 -0.052 0.000 2.346 262 A HA 0.283 4.608 4.320 0.008 0.000 0.252 262 A C -0.223 177.437 177.584 0.128 0.000 1.089 262 A CA -0.220 51.849 52.037 0.052 0.000 0.797 262 A CB -0.150 18.924 19.000 0.124 0.000 1.047 262 A HN 0.553 nan 8.150 nan 0.000 0.494 263 L N 2.481 123.771 121.223 0.111 0.000 2.295 263 L HA 0.447 4.791 4.340 0.008 0.000 0.288 263 L C -2.221 174.664 176.870 0.024 0.000 1.079 263 L CA -1.903 52.961 54.840 0.040 0.000 0.830 263 L CB 0.342 42.422 42.059 0.034 0.000 1.200 263 L HN 0.355 nan 8.230 nan 0.000 0.438 264 P HA 0.242 nan 4.420 nan 0.000 0.272 264 P C -2.645 174.760 177.300 0.176 0.000 1.223 264 P CA -1.124 61.937 63.100 -0.065 0.000 0.784 264 P CB -0.218 31.278 31.700 -0.340 0.000 0.923 265 P HA -0.019 nan 4.420 nan 0.000 0.269 265 P C 0.294 177.632 177.300 0.065 0.000 1.209 265 P CA 0.135 63.202 63.100 -0.056 0.000 0.776 265 P CB 0.565 31.974 31.700 -0.484 0.000 0.876 266 A N 4.427 127.288 122.820 0.069 0.000 1.978 266 A HA -0.167 4.158 4.320 0.008 0.000 0.220 266 A C 2.033 179.769 177.584 0.253 0.000 1.170 266 A CA 1.450 53.526 52.037 0.065 0.000 0.636 266 A CB -1.654 17.225 19.000 -0.202 0.000 0.810 266 A HN 0.834 nan 8.150 nan 0.000 0.448 267 W N 0.736 122.137 121.300 0.169 0.000 2.350 267 W HA -0.189 4.476 4.660 0.007 0.000 0.289 267 W C 1.857 178.480 176.519 0.173 0.000 1.215 267 W CA 1.398 58.808 57.345 0.108 0.000 1.236 267 W CB -1.417 28.060 29.460 0.028 0.000 1.130 267 W HN 0.533 nan 8.180 nan 0.000 0.541 268 S N 0.456 116.117 115.700 -0.066 0.000 2.474 268 S HA -0.147 4.328 4.470 0.008 0.000 0.235 268 S C 1.395 176.128 174.600 0.222 0.000 0.997 268 S CA 0.623 58.872 58.200 0.082 0.000 0.949 268 S CB -1.375 61.693 63.200 -0.220 0.000 0.766 268 S HN 0.212 nan 8.310 nan 0.000 0.517 269 F N 2.434 122.410 119.950 0.043 0.000 2.811 269 F HA 0.348 4.880 4.527 0.008 0.000 0.301 269 F C 1.941 177.774 175.800 0.056 0.000 1.151 269 F CA -0.158 57.781 58.000 -0.102 0.000 1.412 269 F CB -0.492 38.468 39.000 -0.068 0.000 1.113 269 F HN 0.331 nan 8.300 nan 0.000 0.579 270 G N 0.174 109.139 108.800 0.275 0.000 2.489 270 G HA2 0.304 4.269 3.960 0.008 0.000 0.271 270 G HA3 0.304 4.269 3.960 0.008 0.000 0.271 270 G C -1.048 174.146 174.900 0.490 0.000 1.427 270 G CA -0.545 44.684 45.100 0.215 0.000 1.057 270 G HN 0.004 nan 8.290 nan 0.000 0.532 271 L N -0.338 121.286 121.223 0.668 0.000 2.290 271 L HA 0.546 4.891 4.340 0.008 0.000 0.284 271 L C -1.135 175.959 176.870 0.375 0.000 1.078 271 L CA -1.089 54.009 54.840 0.429 0.000 0.815 271 L CB 0.528 42.754 42.059 0.279 0.000 1.162 271 L HN 0.418 nan 8.230 nan 0.000 0.435 272 W N 6.327 127.654 121.300 0.044 0.000 2.376 272 W HA 0.568 5.232 4.660 0.007 0.000 0.322 272 W C -0.479 175.982 176.519 -0.098 0.000 1.160 272 W CA -0.640 56.671 57.345 -0.057 0.000 1.218 272 W CB 0.918 30.244 29.460 -0.223 0.000 1.205 272 W HN 0.281 nan 8.180 nan 0.000 0.559 273 L N 3.710 124.988 121.223 0.093 0.000 2.401 273 L HA 0.645 4.989 4.340 0.008 0.000 0.266 273 L C -0.079 176.649 176.870 -0.236 0.000 0.991 273 L CA -0.364 54.491 54.840 0.025 0.000 0.818 273 L CB 1.671 43.819 42.059 0.149 0.000 1.321 273 L HN 0.626 nan 8.230 nan 0.000 0.413 274 T N -0.581 113.874 114.554 -0.165 0.000 2.938 274 T HA 0.368 4.723 4.350 0.008 0.000 0.285 274 T C 1.064 175.685 174.700 -0.132 0.000 1.028 274 T CA 0.300 62.216 62.100 -0.306 0.000 1.005 274 T CB 1.259 70.178 68.868 0.084 0.000 1.157 274 T HN 0.730 nan 8.240 nan 0.000 0.550 275 T N -1.114 113.283 114.554 -0.261 0.000 3.118 275 T HA 0.268 4.623 4.350 0.008 0.000 0.260 275 T C 0.860 175.628 174.700 0.112 0.000 1.139 275 T CA 0.276 62.292 62.100 -0.141 0.000 1.085 275 T CB -0.880 67.404 68.868 -0.972 0.000 0.934 275 T HN 0.980 nan 8.240 nan 0.000 0.518 276 S N -0.065 115.762 115.700 0.212 0.000 3.769 276 S HA -0.163 4.312 4.470 0.008 0.000 0.656 276 S C 0.022 174.863 174.600 0.401 0.000 1.960 276 S CA 0.178 58.515 58.200 0.229 0.000 2.104 276 S CB -1.259 62.008 63.200 0.111 0.000 0.328 276 S HN 0.474 nan 8.310 nan 0.000 1.640 277 F N 1.907 122.010 119.950 0.255 0.000 2.135 277 F HA 0.171 4.703 4.527 0.008 0.000 0.280 277 F C 2.500 178.621 175.800 0.535 0.000 1.109 277 F CA 2.036 60.305 58.000 0.448 0.000 1.163 277 F CB -1.181 38.108 39.000 0.482 0.000 1.062 277 F HN 0.734 nan 8.300 nan 0.000 0.496 278 T N -1.025 113.467 114.554 -0.103 0.000 3.163 278 T HA 0.196 4.551 4.350 0.008 0.000 0.252 278 T C 0.717 175.252 174.700 -0.276 0.000 1.056 278 T CA 0.278 62.180 62.100 -0.329 0.000 0.947 278 T CB -1.634 66.952 68.868 -0.470 0.000 1.016 278 T HN 0.383 nan 8.240 nan 0.000 0.554 279 T N 0.940 115.449 114.554 -0.075 0.000 2.680 279 T HA 0.189 4.544 4.350 0.008 0.000 0.314 279 T C 0.115 174.788 174.700 -0.045 0.000 1.045 279 T CA -0.643 61.393 62.100 -0.107 0.000 1.025 279 T CB 0.025 68.803 68.868 -0.150 0.000 1.000 279 T HN 0.390 nan 8.240 nan 0.000 0.535 280 N N 0.854 119.571 118.700 0.028 0.000 2.518 280 N HA 0.522 5.267 4.740 0.008 0.000 0.283 280 N C -1.348 174.321 175.510 0.265 0.000 1.119 280 N CA -0.656 52.381 53.050 -0.021 0.000 0.983 280 N CB 0.538 39.017 38.487 -0.013 0.000 1.139 280 N HN 0.764 nan 8.380 nan 0.000 0.465 281 Y N -1.052 119.286 120.300 0.062 0.000 2.480 281 Y HA 0.472 5.026 4.550 0.007 0.000 0.329 281 Y C -1.529 174.361 175.900 -0.017 0.000 1.127 281 Y CA -1.371 56.781 58.100 0.088 0.000 1.037 281 Y CB 0.938 39.550 38.460 0.254 0.000 1.320 281 Y HN 0.492 nan 8.280 nan 0.000 0.446 282 D N -0.160 120.240 120.400 -0.001 0.000 2.895 282 D HA 0.206 4.851 4.640 0.008 0.000 0.320 282 D C 0.542 176.786 176.300 -0.092 0.000 1.249 282 D CA -0.649 53.079 54.000 -0.453 0.000 0.997 282 D CB 0.739 41.303 40.800 -0.393 0.000 1.430 282 D HN 0.632 nan 8.370 nan 0.000 0.558 283 E N -0.493 119.651 120.200 -0.094 0.000 2.077 283 E HA -0.179 4.176 4.350 0.008 0.000 0.193 283 E C 1.884 178.495 176.600 0.018 0.000 0.989 283 E CA 1.436 57.917 56.400 0.135 0.000 0.800 283 E CB -0.263 29.501 29.700 0.107 0.000 0.746 283 E HN 0.461 nan 8.360 nan 0.000 0.452 284 A N 0.143 122.937 122.820 -0.044 0.000 1.898 284 A HA -0.152 4.172 4.320 0.008 0.000 0.216 284 A C 2.376 179.898 177.584 -0.102 0.000 1.181 284 A CA 1.933 53.932 52.037 -0.063 0.000 0.620 284 A CB -0.891 18.074 19.000 -0.059 0.000 0.819 284 A HN 0.324 nan 8.150 nan 0.000 0.442 285 T N -0.305 114.167 114.554 -0.136 0.000 2.708 285 T HA -0.119 4.236 4.350 0.008 0.000 0.266 285 T C 1.869 176.279 174.700 -0.483 0.000 1.037 285 T CA 1.604 63.531 62.100 -0.288 0.000 1.146 285 T CB -0.430 68.282 68.868 -0.260 0.000 0.865 285 T HN 0.143 nan 8.240 nan 0.000 0.435 286 V N 2.533 122.258 119.914 -0.315 0.000 2.343 286 V HA -0.164 3.961 4.120 0.008 0.000 0.247 286 V C 2.465 178.331 176.094 -0.380 0.000 1.051 286 V CA 1.382 63.416 62.300 -0.443 0.000 1.036 286 V CB -0.563 31.086 31.823 -0.289 0.000 0.654 286 V HN 0.495 nan 8.190 nan 0.000 0.451 287 N N 0.652 119.227 118.700 -0.208 0.000 2.166 287 N HA -0.144 4.601 4.740 0.008 0.000 0.186 287 N C 2.175 177.645 175.510 -0.068 0.000 1.019 287 N CA 1.811 54.779 53.050 -0.137 0.000 0.856 287 N CB -0.223 38.212 38.487 -0.087 0.000 0.993 287 N HN 0.649 nan 8.380 nan 0.000 0.426 288 S N 0.259 115.933 115.700 -0.044 0.000 2.402 288 S HA -0.042 4.433 4.470 0.008 0.000 0.229 288 S C 1.872 176.665 174.600 0.320 0.000 1.021 288 S CA 0.535 58.787 58.200 0.086 0.000 0.974 288 S CB -0.417 62.837 63.200 0.089 0.000 0.800 288 S HN 0.077 nan 8.310 nan 0.000 0.484 289 F N 1.951 121.918 119.950 0.028 0.000 2.084 289 F HA 0.218 4.749 4.527 0.007 0.000 0.296 289 F C 2.307 178.182 175.800 0.126 0.000 1.111 289 F CA -0.271 57.812 58.000 0.138 0.000 1.224 289 F CB -1.116 37.909 39.000 0.042 0.000 0.991 289 F HN 0.212 nan 8.300 nan 0.000 0.471 290 I N -0.016 120.639 120.570 0.141 0.000 2.163 290 I HA -0.281 3.893 4.170 0.008 0.000 0.240 290 I C 2.041 178.179 176.117 0.034 0.000 1.081 290 I CA 1.447 62.765 61.300 0.030 0.000 1.353 290 I CB -0.565 37.353 38.000 -0.136 0.000 1.054 290 I HN -0.001 nan 8.210 nan 0.000 0.407 291 D N 1.125 121.528 120.400 0.005 0.000 2.182 291 D HA -0.153 4.492 4.640 0.008 0.000 0.201 291 D C 2.173 178.441 176.300 -0.052 0.000 0.986 291 D CA 1.553 55.537 54.000 -0.027 0.000 0.847 291 D CB -0.586 40.190 40.800 -0.041 0.000 0.942 291 D HN 0.445 nan 8.370 nan 0.000 0.467 292 G N 0.611 109.402 108.800 -0.014 0.000 2.418 292 G HA2 -0.220 3.744 3.960 0.008 0.000 0.217 292 G HA3 -0.220 3.744 3.960 0.008 0.000 0.217 292 G C 1.574 176.329 174.900 -0.242 0.000 1.158 292 G CA 0.554 45.485 45.100 -0.282 0.000 0.771 292 G HN 0.112 nan 8.290 nan 0.000 0.545 293 M N 1.199 120.878 119.600 0.131 0.000 2.086 293 M HA 0.032 4.516 4.480 0.008 0.000 0.261 293 M C 3.053 179.367 176.300 0.023 0.000 1.067 293 M CA 1.473 56.866 55.300 0.155 0.000 1.116 293 M CB -1.316 31.388 32.600 0.174 0.000 1.348 293 M HN 0.311 nan 8.290 nan 0.000 0.407 294 A N 0.156 122.970 122.820 -0.011 0.000 1.877 294 A HA -0.174 4.150 4.320 0.008 0.000 0.216 294 A C 2.060 179.610 177.584 -0.058 0.000 1.186 294 A CA 1.757 53.773 52.037 -0.035 0.000 0.620 294 A CB -0.826 18.149 19.000 -0.042 0.000 0.822 294 A HN 0.571 nan 8.150 nan 0.000 0.443 295 E N -0.689 119.455 120.200 -0.094 0.000 2.171 295 E HA -0.185 4.170 4.350 0.008 0.000 0.197 295 E C 1.637 178.168 176.600 -0.116 0.000 0.997 295 E CA 1.117 57.444 56.400 -0.121 0.000 0.810 295 E CB -0.099 29.493 29.700 -0.180 0.000 0.738 295 E HN 0.511 nan 8.360 nan 0.000 0.467 296 R N 0.565 120.996 120.500 -0.115 0.000 2.466 296 R HA 0.120 4.465 4.340 0.008 0.000 0.279 296 R C -0.331 175.962 176.300 -0.011 0.000 0.976 296 R CA -0.093 55.966 56.100 -0.070 0.000 1.081 296 R CB 0.209 30.469 30.300 -0.066 0.000 1.215 296 R HN 0.101 nan 8.270 nan 0.000 0.546 297 N N 1.075 119.765 118.700 -0.016 0.000 2.725 297 N HA -0.200 4.545 4.740 0.008 0.000 0.251 297 N C -1.050 174.475 175.510 0.025 0.000 1.031 297 N CA 0.918 53.968 53.050 -0.001 0.000 0.720 297 N CB -1.230 37.255 38.487 -0.003 0.000 0.930 297 N HN 0.300 nan 8.380 nan 0.000 0.543 298 L N 0.313 121.560 121.223 0.040 0.000 2.277 298 L HA 0.417 4.762 4.340 0.008 0.000 0.284 298 L C -2.055 174.828 176.870 0.023 0.000 1.028 298 L CA -1.704 53.176 54.840 0.068 0.000 0.835 298 L CB 1.298 43.436 42.059 0.133 0.000 1.215 298 L HN -0.259 nan 8.230 nan 0.000 0.425 299 P HA 0.073 nan 4.420 nan 0.000 0.265 299 P C -0.957 176.183 177.300 -0.267 0.000 1.193 299 P CA 0.066 63.104 63.100 -0.103 0.000 0.765 299 P CB 0.749 32.469 31.700 0.033 0.000 0.823 300 L N 3.859 124.790 121.223 -0.486 0.000 2.431 300 L HA 0.325 4.670 4.340 0.008 0.000 0.266 300 L C -0.044 176.449 176.870 -0.628 0.000 0.978 300 L CA -0.409 54.166 54.840 -0.441 0.000 0.822 300 L CB 1.935 43.924 42.059 -0.116 0.000 1.310 300 L HN 0.569 nan 8.230 nan 0.000 0.409 301 H N 2.313 121.400 119.070 0.029 0.000 2.926 301 H HA 0.335 4.895 4.556 0.008 0.000 0.249 301 H C -0.470 174.773 175.328 -0.141 0.000 0.963 301 H CA -0.002 56.036 56.048 -0.016 0.000 1.158 301 H CB 1.401 31.203 29.762 0.067 0.000 1.445 301 H HN 0.242 nan 8.280 nan 0.000 0.452 302 V N 1.131 120.954 119.914 -0.152 0.000 2.686 302 V HA 0.227 4.352 4.120 0.008 0.000 0.306 302 V C -1.516 174.470 176.094 -0.180 0.000 1.065 302 V CA -0.907 61.155 62.300 -0.397 0.000 0.894 302 V CB 2.490 33.578 31.823 -1.225 0.000 1.004 302 V HN 0.108 nan 8.190 nan 0.000 0.424 303 F N 3.628 123.440 119.950 -0.231 0.000 2.458 303 F HA 0.703 5.235 4.527 0.007 0.000 0.336 303 F C -0.312 175.431 175.800 -0.094 0.000 1.114 303 F CA -0.445 57.468 58.000 -0.145 0.000 0.987 303 F CB 1.347 40.248 39.000 -0.165 0.000 1.130 303 F HN 0.713 nan 8.300 nan 0.000 0.458 304 H N 5.384 123.856 119.070 -0.996 0.000 2.466 304 H HA 0.440 5.000 4.556 0.007 0.000 0.338 304 H C -1.628 173.254 175.328 -0.743 0.000 1.091 304 H CA -0.693 55.001 56.048 -0.589 0.000 1.207 304 H CB 0.798 30.324 29.762 -0.392 0.000 1.466 304 H HN 0.502 nan 8.280 nan 0.000 0.493 305 F N 4.082 123.537 119.950 -0.824 0.000 2.391 305 F HA 0.174 4.706 4.527 0.008 0.000 0.359 305 F C 0.694 176.139 175.800 -0.592 0.000 1.122 305 F CA -0.462 57.235 58.000 -0.504 0.000 1.120 305 F CB 0.699 39.551 39.000 -0.246 0.000 1.142 305 F HN 0.632 nan 8.300 nan 0.000 0.483 306 D N 1.281 121.594 120.400 -0.144 0.000 2.469 306 D HA 0.150 4.794 4.640 0.008 0.000 0.278 306 D C 1.138 177.586 176.300 0.246 0.000 1.231 306 D CA -0.505 53.595 54.000 0.166 0.000 1.075 306 D CB 0.809 41.811 40.800 0.337 0.000 1.121 306 D HN 0.566 nan 8.370 nan 0.000 0.571 307 C N -0.394 118.734 119.300 -0.286 0.000 2.396 307 C HA -0.164 4.301 4.460 0.008 0.000 0.277 307 C C 2.349 176.782 174.990 -0.930 0.000 1.231 307 C CA 0.293 58.525 59.018 -1.310 0.000 1.775 307 C CB -1.341 24.937 27.740 -2.436 0.000 2.036 307 C HN 0.466 nan 8.230 nan 0.000 0.484 308 F N 1.508 121.438 119.950 -0.034 0.000 2.795 308 F HA 0.014 4.546 4.527 0.009 0.000 0.303 308 F C 2.120 178.126 175.800 0.344 0.000 1.186 308 F CA 0.089 58.153 58.000 0.106 0.000 1.415 308 F CB -0.739 38.174 39.000 -0.145 0.000 1.106 308 F HN 0.576 nan 8.300 nan 0.000 0.558 309 W N -0.373 121.158 121.300 0.385 0.000 2.392 309 W HA -0.024 4.640 4.660 0.007 0.000 0.279 309 W C 0.185 176.762 176.519 0.097 0.000 1.225 309 W CA 0.360 57.816 57.345 0.184 0.000 1.233 309 W CB -0.662 28.550 29.460 -0.414 0.000 1.122 309 W HN -0.010 nan 8.180 nan 0.000 0.561 310 M N 1.429 120.780 119.600 -0.415 0.000 2.528 310 M HA 0.258 4.742 4.480 0.008 0.000 0.318 310 M C 0.314 176.692 176.300 0.129 0.000 1.195 310 M CA -0.526 54.587 55.300 -0.313 0.000 1.000 310 M CB 1.805 34.044 32.600 -0.603 0.000 1.615 310 M HN -0.353 nan 8.290 nan 0.000 0.469 311 K N 1.302 121.777 120.400 0.125 0.000 2.401 311 K HA 0.300 4.625 4.320 0.008 0.000 0.278 311 K C -0.232 176.311 176.600 -0.095 0.000 1.018 311 K CA -0.388 55.952 56.287 0.088 0.000 0.981 311 K CB 0.555 33.094 32.500 0.066 0.000 0.933 311 K HN 0.738 nan 8.250 nan 0.000 0.477 312 A N 2.868 125.520 122.820 -0.280 0.000 2.587 312 A HA 0.030 4.354 4.320 0.008 0.000 0.235 312 A C 0.101 177.174 177.584 -0.851 0.000 1.044 312 A CA 0.225 51.709 52.037 -0.922 0.000 0.754 312 A CB -0.561 17.868 19.000 -0.952 0.000 0.968 312 A HN 0.780 nan 8.150 nan 0.000 0.509 313 F N -1.181 118.183 119.950 -0.975 0.000 2.748 313 F HA -0.234 4.297 4.527 0.007 0.000 0.370 313 F C 1.248 176.796 175.800 -0.421 0.000 0.620 313 F CA 1.709 59.327 58.000 -0.636 0.000 1.233 313 F CB -1.917 36.847 39.000 -0.393 0.000 1.708 313 F HN 0.750 nan 8.300 nan 0.000 0.298 314 Q N -1.450 118.203 119.800 -0.245 0.000 2.179 314 Q HA 0.066 4.411 4.340 0.008 0.000 0.213 314 Q C 0.170 176.247 176.000 0.130 0.000 0.833 314 Q CA -0.343 55.455 55.803 -0.008 0.000 0.990 314 Q CB 0.443 29.206 28.738 0.041 0.000 1.132 314 Q HN 0.269 nan 8.270 nan 0.000 0.493 315 W N 0.112 121.402 121.300 -0.017 0.000 2.137 315 W HA 0.047 4.711 4.660 0.007 0.000 0.344 315 W C 0.942 177.594 176.519 0.221 0.000 1.286 315 W CA -1.890 55.492 57.345 0.062 0.000 1.240 315 W CB 0.076 29.597 29.460 0.101 0.000 1.141 315 W HN 0.058 nan 8.180 nan 0.000 0.579 316 C N 3.826 123.423 119.300 0.494 0.000 2.784 316 C HA -0.267 4.198 4.460 0.008 0.000 0.202 316 C C 1.356 176.321 174.990 -0.040 0.000 1.460 316 C CA 1.122 60.173 59.018 0.056 0.000 2.223 316 C CB -2.235 25.453 27.740 -0.087 0.000 1.466 316 C HN 0.604 nan 8.230 nan 0.000 0.380 317 D N -0.714 119.664 120.400 -0.037 0.000 2.398 317 D HA 0.076 4.721 4.640 0.008 0.000 0.210 317 D C 0.879 177.299 176.300 0.201 0.000 1.094 317 D CA -0.277 53.834 54.000 0.186 0.000 0.839 317 D CB -0.350 40.617 40.800 0.279 0.000 0.963 317 D HN 0.515 nan 8.370 nan 0.000 0.506 318 F N -0.258 119.730 119.950 0.063 0.000 2.914 318 F HA -0.207 4.325 4.527 0.008 0.000 0.304 318 F C 0.040 175.930 175.800 0.150 0.000 0.712 318 F CA 0.521 58.580 58.000 0.098 0.000 1.211 318 F CB -1.871 37.178 39.000 0.083 0.000 1.515 318 F HN -0.001 nan 8.300 nan 0.000 0.350 319 E N 0.234 120.519 120.200 0.143 0.000 2.156 319 E HA 0.192 4.546 4.350 0.008 0.000 0.279 319 E C -0.309 176.431 176.600 0.233 0.000 0.965 319 E CA -0.694 55.861 56.400 0.259 0.000 0.789 319 E CB 0.544 30.384 29.700 0.233 0.000 1.098 319 E HN 0.189 nan 8.360 nan 0.000 0.397 320 W N 1.839 123.399 121.300 0.432 0.000 2.223 320 W HA -0.028 4.636 4.660 0.007 0.000 0.334 320 W C 1.053 177.771 176.519 0.331 0.000 1.334 320 W CA 0.042 57.666 57.345 0.464 0.000 1.246 320 W CB 0.309 29.988 29.460 0.365 0.000 1.184 320 W HN 0.303 nan 8.180 nan 0.000 0.563 321 D N 4.878 125.628 120.400 0.582 0.000 2.389 321 D HA -0.010 4.634 4.640 0.008 0.000 0.263 321 D C -1.411 175.138 176.300 0.416 0.000 1.255 321 D CA -1.405 52.852 54.000 0.430 0.000 0.914 321 D CB 1.212 42.271 40.800 0.432 0.000 1.116 321 D HN 0.070 nan 8.370 nan 0.000 0.502 322 P HA -0.001 nan 4.420 nan 0.000 0.233 322 P C 1.213 178.604 177.300 0.152 0.000 1.167 322 P CA 0.625 63.858 63.100 0.221 0.000 0.770 322 P CB 0.234 32.033 31.700 0.166 0.000 0.837 323 L N -1.304 119.996 121.223 0.129 0.000 2.298 323 L HA 0.063 4.408 4.340 0.008 0.000 0.209 323 L C 2.136 179.004 176.870 -0.003 0.000 1.084 323 L CA 1.575 56.449 54.840 0.056 0.000 0.816 323 L CB -1.305 40.777 42.059 0.039 0.000 0.967 323 L HN 0.041 nan 8.230 nan 0.000 0.460 324 T N -3.507 111.039 114.554 -0.013 0.000 3.037 324 T HA 0.125 4.479 4.350 0.008 0.000 0.252 324 T C 0.379 174.779 174.700 -0.501 0.000 1.073 324 T CA 0.216 62.147 62.100 -0.280 0.000 1.091 324 T CB 0.004 68.644 68.868 -0.380 0.000 0.935 324 T HN 0.034 nan 8.240 nan 0.000 0.488 325 F N 1.688 121.759 119.950 0.202 0.000 2.769 325 F HA 0.432 4.964 4.527 0.008 0.000 0.358 325 F C -2.349 173.497 175.800 0.078 0.000 1.285 325 F CA -2.538 55.559 58.000 0.162 0.000 1.199 325 F CB 1.832 41.017 39.000 0.308 0.000 1.558 325 F HN -0.079 nan 8.300 nan 0.000 0.583 326 P HA -0.068 nan 4.420 nan 0.000 0.226 326 P C 0.066 177.386 177.300 0.032 0.000 1.153 326 P CA 1.222 64.373 63.100 0.085 0.000 0.777 326 P CB 0.390 32.115 31.700 0.040 0.000 0.794 327 D N -1.609 118.782 120.400 -0.015 0.000 2.586 327 D HA 0.173 4.818 4.640 0.008 0.000 0.254 327 D C -2.098 174.063 176.300 -0.232 0.000 1.248 327 D CA -1.985 51.958 54.000 -0.095 0.000 0.843 327 D CB 0.434 41.194 40.800 -0.067 0.000 1.332 327 D HN -0.178 nan 8.370 nan 0.000 0.523 328 P HA -0.120 nan 4.420 nan 0.000 0.214 328 P C 1.245 178.131 177.300 -0.690 0.000 1.163 328 P CA 0.939 63.472 63.100 -0.946 0.000 0.883 328 P CB 0.433 31.227 31.700 -1.510 0.000 0.788 329 E N -0.478 119.459 120.200 -0.440 0.000 2.031 329 E HA -0.148 4.207 4.350 0.008 0.000 0.193 329 E C 2.251 178.715 176.600 -0.227 0.000 0.994 329 E CA 1.553 57.776 56.400 -0.295 0.000 0.800 329 E CB -1.107 28.479 29.700 -0.190 0.000 0.752 329 E HN 0.094 nan 8.360 nan 0.000 0.447 330 G N 1.575 110.266 108.800 -0.182 0.000 2.529 330 G HA2 -0.396 3.569 3.960 0.008 0.000 0.219 330 G HA3 -0.396 3.569 3.960 0.008 0.000 0.219 330 G C 1.591 176.411 174.900 -0.134 0.000 1.177 330 G CA 1.325 46.344 45.100 -0.134 0.000 0.773 330 G HN 0.384 nan 8.290 nan 0.000 0.573 331 M N 0.002 119.508 119.600 -0.157 0.000 2.065 331 M HA -0.053 4.432 4.480 0.008 0.000 0.259 331 M C 2.587 178.812 176.300 -0.125 0.000 1.069 331 M CA 1.652 56.884 55.300 -0.114 0.000 1.110 331 M CB -0.291 32.256 32.600 -0.088 0.000 1.328 331 M HN 0.272 nan 8.290 nan 0.000 0.405 332 I N 0.212 120.649 120.570 -0.221 0.000 2.151 332 I HA -0.367 3.808 4.170 0.008 0.000 0.243 332 I C 2.626 178.665 176.117 -0.130 0.000 1.080 332 I CA 1.466 62.658 61.300 -0.181 0.000 1.339 332 I CB -0.550 37.293 38.000 -0.263 0.000 1.039 332 I HN 0.352 nan 8.210 nan 0.000 0.409 333 R N 0.503 120.920 120.500 -0.138 0.000 2.092 333 R HA -0.068 4.277 4.340 0.008 0.000 0.231 333 R C 2.369 178.610 176.300 -0.098 0.000 1.119 333 R CA 1.011 57.042 56.100 -0.116 0.000 0.970 333 R CB -0.529 29.705 30.300 -0.110 0.000 0.864 333 R HN 0.436 nan 8.270 nan 0.000 0.440 334 R N 0.747 121.192 120.500 -0.090 0.000 2.091 334 R HA -0.081 4.264 4.340 0.008 0.000 0.238 334 R C 2.471 178.724 176.300 -0.079 0.000 1.136 334 R CA 1.293 57.347 56.100 -0.077 0.000 0.959 334 R CB -0.481 29.778 30.300 -0.069 0.000 0.856 334 R HN 0.190 nan 8.270 nan 0.000 0.437 335 L N 0.418 121.595 121.223 -0.077 0.000 2.046 335 L HA -0.167 4.178 4.340 0.008 0.000 0.208 335 L C 2.456 179.272 176.870 -0.090 0.000 1.077 335 L CA 1.270 56.060 54.840 -0.082 0.000 0.747 335 L CB -0.404 41.621 42.059 -0.056 0.000 0.896 335 L HN 0.081 nan 8.230 nan 0.000 0.432 336 K N 0.533 120.874 120.400 -0.099 0.000 2.063 336 K HA -0.143 4.182 4.320 0.008 0.000 0.208 336 K C 2.083 178.617 176.600 -0.109 0.000 1.048 336 K CA 1.441 57.655 56.287 -0.121 0.000 0.928 336 K CB -0.257 32.164 32.500 -0.131 0.000 0.713 336 K HN 0.278 nan 8.250 nan 0.000 0.442 337 A N 0.631 123.395 122.820 -0.094 0.000 2.121 337 A HA -0.140 4.185 4.320 0.008 0.000 0.218 337 A C 1.446 178.984 177.584 -0.075 0.000 1.154 337 A CA 1.316 53.304 52.037 -0.082 0.000 0.679 337 A CB -0.279 18.676 19.000 -0.074 0.000 0.795 337 A HN 0.253 nan 8.150 nan 0.000 0.458 338 K N -1.161 119.193 120.400 -0.078 0.000 2.525 338 K HA 0.185 4.509 4.320 0.008 0.000 0.192 338 K C 0.936 177.493 176.600 -0.071 0.000 1.029 338 K CA 0.463 56.707 56.287 -0.072 0.000 1.029 338 K CB -0.094 32.361 32.500 -0.076 0.000 0.814 338 K HN 0.645 nan 8.250 nan 0.000 0.503 339 G N 1.445 110.196 108.800 -0.081 0.000 2.130 339 G HA2 -0.227 3.737 3.960 0.008 0.000 0.216 339 G HA3 -0.227 3.737 3.960 0.008 0.000 0.216 339 G C -0.170 174.673 174.900 -0.096 0.000 0.999 339 G CA -0.390 44.662 45.100 -0.079 0.000 0.686 339 G HN 0.126 nan 8.290 nan 0.000 0.515 340 L N 0.245 121.396 121.223 -0.121 0.000 2.334 340 L HA 0.582 4.927 4.340 0.008 0.000 0.275 340 L C 0.562 177.286 176.870 -0.242 0.000 1.036 340 L CA -1.118 53.638 54.840 -0.140 0.000 0.807 340 L CB 1.183 43.186 42.059 -0.093 0.000 1.231 340 L HN -0.116 nan 8.230 nan 0.000 0.438 341 K N 2.423 122.614 120.400 -0.348 0.000 2.118 341 K HA 0.541 4.866 4.320 0.008 0.000 0.264 341 K C -0.819 175.569 176.600 -0.353 0.000 1.000 341 K CA -0.501 55.456 56.287 -0.550 0.000 0.929 341 K CB 1.892 33.746 32.500 -1.077 0.000 1.021 341 K HN 0.315 nan 8.250 nan 0.000 0.463 342 I N 1.021 121.405 120.570 -0.310 0.000 2.406 342 I HA 0.154 4.329 4.170 0.008 0.000 0.290 342 I C -0.361 175.669 176.117 -0.145 0.000 0.999 342 I CA -0.459 60.764 61.300 -0.129 0.000 1.124 342 I CB 1.667 39.644 38.000 -0.038 0.000 1.289 342 I HN 0.491 nan 8.210 nan 0.000 0.441 343 C N 7.420 126.701 119.300 -0.032 0.000 2.411 343 C HA 0.883 5.348 4.460 0.008 0.000 0.330 343 C C -0.226 174.826 174.990 0.103 0.000 1.224 343 C CA -0.358 58.697 59.018 0.062 0.000 1.770 343 C CB 0.754 28.661 27.740 0.277 0.000 2.297 343 C HN 0.654 nan 8.230 nan 0.000 0.507 344 V N 3.041 122.993 119.914 0.063 0.000 2.914 344 V HA 0.672 4.797 4.120 0.008 0.000 0.314 344 V C -0.738 175.642 176.094 0.477 0.000 1.084 344 V CA -0.912 61.408 62.300 0.034 0.000 0.963 344 V CB 1.430 32.940 31.823 -0.522 0.000 1.025 344 V HN 1.079 nan 8.190 nan 0.000 0.432 345 W N 5.691 127.242 121.300 0.419 0.000 2.216 345 W HA 0.675 5.341 4.660 0.009 0.000 0.326 345 W C -0.189 176.641 176.519 0.518 0.000 1.319 345 W CA 0.064 57.715 57.345 0.511 0.000 1.213 345 W CB 0.719 30.401 29.460 0.371 0.000 1.171 345 W HN 0.891 nan 8.180 nan 0.000 0.557 346 I N 4.054 124.471 120.570 -0.255 0.000 3.279 346 I HA 0.663 4.837 4.170 0.008 0.000 0.315 346 I C -1.084 174.449 176.117 -0.972 0.000 1.187 346 I CA -1.223 59.795 61.300 -0.469 0.000 0.953 346 I CB 2.288 40.319 38.000 0.052 0.000 1.279 346 I HN 0.617 nan 8.210 nan 0.000 0.465 347 N N 0.990 119.354 118.700 -0.559 0.000 3.116 347 N HA 0.481 5.226 4.740 0.008 0.000 0.244 347 N C -2.967 172.467 175.510 -0.126 0.000 1.485 347 N CA -1.571 51.276 53.050 -0.338 0.000 0.884 347 N CB 1.459 39.663 38.487 -0.473 0.000 1.415 347 N HN 0.410 nan 8.380 nan 0.000 0.524 348 P HA 0.290 nan 4.420 nan 0.000 0.254 348 P C -1.096 176.315 177.300 0.184 0.000 1.620 348 P CA 0.279 63.263 63.100 -0.193 0.000 1.050 348 P CB -0.442 30.927 31.700 -0.551 0.000 1.539 349 Y N -0.168 120.317 120.300 0.309 0.000 2.598 349 Y HA 0.630 5.184 4.550 0.007 0.000 0.340 349 Y C 0.287 176.342 175.900 0.259 0.000 1.038 349 Y CA -2.429 55.797 58.100 0.211 0.000 1.100 349 Y CB 1.474 40.067 38.460 0.222 0.000 1.281 349 Y HN -0.243 nan 8.280 nan 0.000 0.488 350 I N 0.726 121.480 120.570 0.307 0.000 2.607 350 I HA 0.663 4.838 4.170 0.008 0.000 0.290 350 I C -0.200 176.109 176.117 0.319 0.000 1.129 350 I CA -0.568 60.906 61.300 0.290 0.000 1.042 350 I CB 1.627 39.699 38.000 0.119 0.000 1.242 350 I HN 0.774 nan 8.210 nan 0.000 0.421 351 G N 4.374 113.320 108.800 0.244 0.000 2.467 351 G HA2 0.110 4.075 3.960 0.008 0.000 0.257 351 G HA3 0.110 4.075 3.960 0.008 0.000 0.257 351 G C 0.263 175.119 174.900 -0.074 0.000 1.227 351 G CA -0.237 44.905 45.100 0.070 0.000 0.835 351 G HN 0.844 nan 8.290 nan 0.000 0.556 352 Q N 1.084 120.623 119.800 -0.433 0.000 2.224 352 Q HA -0.109 4.235 4.340 0.008 0.000 0.203 352 Q C 2.250 177.961 176.000 -0.482 0.000 0.970 352 Q CA 1.356 56.530 55.803 -1.049 0.000 0.865 352 Q CB -0.059 28.066 28.738 -1.021 0.000 0.922 352 Q HN 0.707 nan 8.270 nan 0.000 0.445 353 K N 0.401 120.652 120.400 -0.248 0.000 2.152 353 K HA -0.091 4.233 4.320 0.008 0.000 0.206 353 K C 0.658 177.253 176.600 -0.008 0.000 1.048 353 K CA 0.777 56.997 56.287 -0.113 0.000 0.933 353 K CB -0.169 32.297 32.500 -0.056 0.000 0.721 353 K HN 0.065 nan 8.250 nan 0.000 0.447 354 S N 1.018 116.747 115.700 0.048 0.000 2.563 354 S HA 0.025 4.500 4.470 0.008 0.000 0.294 354 S C -1.866 172.833 174.600 0.166 0.000 1.279 354 S CA -1.207 57.075 58.200 0.137 0.000 1.069 354 S CB 0.822 64.149 63.200 0.211 0.000 0.828 354 S HN 0.081 nan 8.310 nan 0.000 0.497 355 P HA -0.083 nan 4.420 nan 0.000 0.220 355 P C 1.143 178.562 177.300 0.197 0.000 1.144 355 P CA 0.643 63.837 63.100 0.156 0.000 0.800 355 P CB 0.071 31.860 31.700 0.149 0.000 0.772 356 V N -1.859 118.206 119.914 0.252 0.000 3.041 356 V HA -0.140 3.985 4.120 0.008 0.000 0.260 356 V C 1.937 178.149 176.094 0.197 0.000 1.105 356 V CA 0.939 63.412 62.300 0.288 0.000 1.125 356 V CB -1.208 30.879 31.823 0.441 0.000 0.730 356 V HN 0.050 nan 8.190 nan 0.000 0.479 357 F N 1.459 121.442 119.950 0.055 0.000 2.134 357 F HA -0.180 4.352 4.527 0.008 0.000 0.299 357 F C 2.422 178.193 175.800 -0.049 0.000 1.097 357 F CA 2.157 60.148 58.000 -0.015 0.000 1.264 357 F CB -0.060 38.932 39.000 -0.014 0.000 1.001 357 F HN -0.021 nan 8.300 nan 0.000 0.479 358 K N 0.401 120.918 120.400 0.194 0.000 2.148 358 K HA -0.226 4.099 4.320 0.008 0.000 0.204 358 K C 2.187 178.748 176.600 -0.064 0.000 1.050 358 K CA 1.459 57.790 56.287 0.074 0.000 0.942 358 K CB -0.298 32.266 32.500 0.107 0.000 0.724 358 K HN 0.454 nan 8.250 nan 0.000 0.446 359 E N 0.745 120.915 120.200 -0.049 0.000 2.051 359 E HA -0.206 4.149 4.350 0.008 0.000 0.192 359 E C 2.016 178.435 176.600 -0.302 0.000 0.991 359 E CA 1.119 57.456 56.400 -0.106 0.000 0.799 359 E CB -0.041 29.669 29.700 0.015 0.000 0.748 359 E HN 0.306 nan 8.360 nan 0.000 0.449 360 L N 0.617 121.605 121.223 -0.391 0.000 2.056 360 L HA -0.181 4.164 4.340 0.008 0.000 0.207 360 L C 2.947 179.517 176.870 -0.500 0.000 1.078 360 L CA 1.371 55.880 54.840 -0.551 0.000 0.749 360 L CB -0.488 41.234 42.059 -0.561 0.000 0.901 360 L HN 0.277 nan 8.230 nan 0.000 0.433 361 Q N 0.554 120.064 119.800 -0.483 0.000 2.050 361 Q HA -0.251 4.094 4.340 0.008 0.000 0.202 361 Q C 2.020 177.871 176.000 -0.248 0.000 0.980 361 Q CA 1.798 57.379 55.803 -0.369 0.000 0.840 361 Q CB 0.033 28.571 28.738 -0.334 0.000 0.898 361 Q HN 0.518 nan 8.270 nan 0.000 0.424 362 E N 0.211 120.278 120.200 -0.223 0.000 2.110 362 E HA -0.178 4.177 4.350 0.008 0.000 0.193 362 E C 1.747 178.214 176.600 -0.222 0.000 0.988 362 E CA 1.230 57.528 56.400 -0.169 0.000 0.804 362 E CB 0.117 29.740 29.700 -0.128 0.000 0.745 362 E HN 0.266 nan 8.360 nan 0.000 0.458 363 K N -0.792 119.370 120.400 -0.396 0.000 2.459 363 K HA 0.071 4.396 4.320 0.008 0.000 0.193 363 K C 0.824 177.146 176.600 -0.463 0.000 1.030 363 K CA 0.460 56.400 56.287 -0.578 0.000 1.026 363 K CB 0.671 32.459 32.500 -1.186 0.000 0.809 363 K HN 0.220 nan 8.250 nan 0.000 0.504 364 G N 1.079 109.705 108.800 -0.289 0.000 2.182 364 G HA2 -0.244 3.721 3.960 0.008 0.000 0.248 364 G HA3 -0.244 3.721 3.960 0.008 0.000 0.248 364 G C 0.150 175.113 174.900 0.105 0.000 1.042 364 G CA -0.076 44.990 45.100 -0.056 0.000 0.775 364 G HN 0.245 nan 8.290 nan 0.000 0.501 365 Y N -0.592 119.618 120.300 -0.150 0.000 2.511 365 Y HA 0.416 4.971 4.550 0.008 0.000 0.279 365 Y C 1.772 177.590 175.900 -0.137 0.000 1.157 365 Y CA -0.435 57.581 58.100 -0.141 0.000 1.300 365 Y CB 0.066 38.408 38.460 -0.195 0.000 1.052 365 Y HN 0.341 nan 8.280 nan 0.000 0.529 366 L N 0.167 121.360 121.223 -0.051 0.000 2.334 366 L HA 0.317 4.662 4.340 0.008 0.000 0.275 366 L C -0.277 176.530 176.870 -0.105 0.000 1.036 366 L CA -1.336 53.417 54.840 -0.145 0.000 0.807 366 L CB 1.246 43.135 42.059 -0.283 0.000 1.231 366 L HN -0.188 nan 8.230 nan 0.000 0.438 367 L N 3.075 124.203 121.223 -0.158 0.000 2.540 367 L HA 0.050 4.395 4.340 0.008 0.000 0.276 367 L C -0.187 176.582 176.870 -0.169 0.000 1.212 367 L CA 0.875 55.551 54.840 -0.273 0.000 0.893 367 L CB -0.255 41.502 42.059 -0.502 0.000 1.138 367 L HN 0.480 nan 8.230 nan 0.000 0.491 368 K N 5.214 125.508 120.400 -0.176 0.000 2.208 368 K HA 0.511 4.836 4.320 0.008 0.000 0.247 368 K C -0.323 176.224 176.600 -0.088 0.000 0.953 368 K CA -0.949 55.290 56.287 -0.081 0.000 0.837 368 K CB 1.730 34.204 32.500 -0.043 0.000 1.131 368 K HN 0.574 nan 8.250 nan 0.000 0.431 369 R N 1.243 121.737 120.500 -0.010 0.000 2.637 369 R HA 0.076 4.420 4.340 0.008 0.000 0.269 369 R C -1.721 174.570 176.300 -0.015 0.000 1.089 369 R CA -1.597 54.508 56.100 0.007 0.000 1.177 369 R CB -0.014 30.311 30.300 0.042 0.000 1.091 369 R HN 0.325 nan 8.270 nan 0.000 0.540 370 P HA -0.194 nan 4.420 nan 0.000 0.217 370 P C 0.351 177.649 177.300 -0.003 0.000 1.148 370 P CA 1.372 64.469 63.100 -0.005 0.000 0.828 370 P CB 0.082 31.785 31.700 0.007 0.000 0.783 371 D N -1.862 118.538 120.400 0.000 0.000 2.363 371 D HA 0.012 4.656 4.640 0.008 0.000 0.226 371 D C 1.485 177.783 176.300 -0.003 0.000 1.020 371 D CA 1.038 55.037 54.000 -0.001 0.000 0.892 371 D CB -0.858 39.943 40.800 0.000 0.000 0.900 371 D HN 0.267 nan 8.370 nan 0.000 0.531 372 G N -0.157 108.639 108.800 -0.006 0.000 2.232 372 G HA2 -0.268 3.696 3.960 0.008 0.000 0.226 372 G HA3 -0.268 3.696 3.960 0.008 0.000 0.226 372 G C 0.470 175.365 174.900 -0.008 0.000 0.996 372 G CA 0.339 45.435 45.100 -0.006 0.000 0.626 372 G HN 0.833 nan 8.290 nan 0.000 0.509 373 S N 0.557 116.252 115.700 -0.008 0.000 2.608 373 S HA 0.673 5.148 4.470 0.008 0.000 0.261 373 S C 0.636 175.230 174.600 -0.009 0.000 1.314 373 S CA -0.583 57.611 58.200 -0.010 0.000 0.992 373 S CB 1.056 64.248 63.200 -0.013 0.000 0.935 373 S HN 0.737 nan 8.310 nan 0.000 0.564 374 L N 0.921 122.139 121.223 -0.007 0.000 2.416 374 L HA 0.210 4.555 4.340 0.008 0.000 0.272 374 L C 0.138 177.019 176.870 0.018 0.000 1.161 374 L CA -0.567 54.276 54.840 0.006 0.000 0.845 374 L CB 0.164 42.237 42.059 0.023 0.000 1.119 374 L HN 0.814 nan 8.230 nan 0.000 0.464 375 W N 4.771 125.991 121.300 -0.133 0.000 2.381 375 W HA 0.182 4.847 4.660 0.008 0.000 0.321 375 W C -0.228 176.214 176.519 -0.127 0.000 1.407 375 W CA 0.137 57.387 57.345 -0.159 0.000 1.274 375 W CB 0.296 29.601 29.460 -0.258 0.000 1.310 375 W HN 0.457 nan 8.180 nan 0.000 0.551 376 Q N 5.597 124.941 119.800 -0.759 0.000 2.416 376 Q HA 0.402 4.746 4.340 0.008 0.000 0.281 376 Q C -0.912 174.545 176.000 -0.905 0.000 1.067 376 Q CA -0.902 54.534 55.803 -0.611 0.000 0.809 376 Q CB 2.492 31.100 28.738 -0.217 0.000 1.418 376 Q HN 0.549 nan 8.270 nan 0.000 0.411 377 W N 0.428 121.289 121.300 -0.731 0.000 3.018 377 W HA 0.515 5.180 4.660 0.009 0.000 0.382 377 W C -0.986 175.405 176.519 -0.213 0.000 1.161 377 W CA -0.967 56.102 57.345 -0.460 0.000 1.144 377 W CB -0.040 29.166 29.460 -0.423 0.000 1.499 377 W HN 0.487 nan 8.180 nan 0.000 0.596 378 D N 0.375 120.751 120.400 -0.040 0.000 2.395 378 D HA 0.111 4.755 4.640 0.008 0.000 0.213 378 D C -0.179 175.981 176.300 -0.233 0.000 1.110 378 D CA 0.131 54.056 54.000 -0.126 0.000 0.835 378 D CB 0.530 41.248 40.800 -0.137 0.000 0.965 378 D HN 0.151 nan 8.370 nan 0.000 0.505 379 K N 0.327 120.360 120.400 -0.611 0.000 2.326 379 K HA 0.009 4.334 4.320 0.008 0.000 0.275 379 K C 0.722 177.389 176.600 0.112 0.000 1.018 379 K CA -0.362 55.652 56.287 -0.455 0.000 0.962 379 K CB 1.597 33.454 32.500 -1.072 0.000 0.953 379 K HN 0.118 nan 8.250 nan 0.000 0.475 380 W N 0.360 121.684 121.300 0.040 0.000 1.154 380 W HA -0.375 4.290 4.660 0.007 0.000 0.250 380 W C -0.743 175.862 176.519 0.143 0.000 1.366 380 W CA 1.613 59.066 57.345 0.180 0.000 1.730 380 W CB -0.523 29.057 29.460 0.201 0.000 1.429 380 W HN 0.557 nan 8.180 nan 0.000 0.454 381 Q N 0.874 120.737 119.800 0.105 0.000 2.387 381 Q HA 0.439 4.784 4.340 0.008 0.000 0.273 381 Q C -2.259 173.716 176.000 -0.042 0.000 1.089 381 Q CA -1.847 53.916 55.803 -0.067 0.000 0.824 381 Q CB 1.244 29.979 28.738 -0.004 0.000 1.367 381 Q HN -0.076 nan 8.270 nan 0.000 0.443 382 P HA 0.066 nan 4.420 nan 0.000 0.267 382 P C 0.479 177.664 177.300 -0.191 0.000 1.205 382 P CA 0.640 63.603 63.100 -0.227 0.000 0.765 382 P CB 0.291 31.742 31.700 -0.415 0.000 0.828 383 G N 2.647 111.352 108.800 -0.158 0.000 2.225 383 G HA2 -0.296 3.669 3.960 0.008 0.000 0.267 383 G HA3 -0.296 3.669 3.960 0.008 0.000 0.267 383 G C 0.012 174.862 174.900 -0.082 0.000 1.024 383 G CA -0.172 44.815 45.100 -0.187 0.000 0.784 383 G HN 0.618 nan 8.290 nan 0.000 0.507 384 L N 0.264 121.530 121.223 0.073 0.000 2.601 384 L HA 0.471 4.816 4.340 0.008 0.000 0.277 384 L C 0.781 177.793 176.870 0.236 0.000 1.219 384 L CA 0.678 55.650 54.840 0.220 0.000 0.915 384 L CB 0.346 42.627 42.059 0.370 0.000 1.160 384 L HN 0.617 nan 8.230 nan 0.000 0.494 385 A N 6.331 129.332 122.820 0.301 0.000 2.346 385 A HA 0.799 5.124 4.320 0.008 0.000 0.313 385 A C -0.772 176.874 177.584 0.102 0.000 1.140 385 A CA -0.748 51.422 52.037 0.221 0.000 0.826 385 A CB 1.074 20.179 19.000 0.175 0.000 1.332 385 A HN 0.687 nan 8.150 nan 0.000 0.457 386 I N 0.380 120.949 120.570 -0.002 0.000 2.433 386 I HA 0.252 4.426 4.170 0.008 0.000 0.292 386 I C -1.188 174.841 176.117 -0.147 0.000 1.001 386 I CA -0.434 60.842 61.300 -0.039 0.000 1.119 386 I CB 1.529 39.413 38.000 -0.193 0.000 1.289 386 I HN 0.632 nan 8.210 nan 0.000 0.438 387 Y N 3.687 123.906 120.300 -0.134 0.000 2.569 387 Y HA -0.028 4.527 4.550 0.008 0.000 0.332 387 Y C 0.746 176.395 175.900 -0.419 0.000 1.120 387 Y CA 0.047 57.945 58.100 -0.338 0.000 1.416 387 Y CB 0.209 38.295 38.460 -0.623 0.000 1.210 387 Y HN 0.440 nan 8.280 nan 0.000 0.528 388 D N 4.711 125.098 120.400 -0.022 0.000 2.453 388 D HA 0.025 4.670 4.640 0.008 0.000 0.223 388 D C 0.017 176.445 176.300 0.213 0.000 1.183 388 D CA 0.054 54.166 54.000 0.185 0.000 0.933 388 D CB -0.259 40.645 40.800 0.174 0.000 1.038 388 D HN 0.528 nan 8.370 nan 0.000 0.513 389 F N 1.202 121.343 119.950 0.318 0.000 2.816 389 F HA -0.044 4.488 4.527 0.008 0.000 0.302 389 F C 2.294 178.135 175.800 0.070 0.000 1.178 389 F CA 0.206 58.238 58.000 0.055 0.000 1.421 389 F CB 0.191 39.084 39.000 -0.178 0.000 1.114 389 F HN 0.323 nan 8.300 nan 0.000 0.573 390 T N -3.773 110.998 114.554 0.362 0.000 3.086 390 T HA 0.002 4.357 4.350 0.008 0.000 0.250 390 T C 0.610 175.456 174.700 0.243 0.000 1.074 390 T CA -0.257 62.019 62.100 0.293 0.000 0.988 390 T CB -0.271 68.808 68.868 0.353 0.000 0.988 390 T HN 0.000 nan 8.240 nan 0.000 0.530 391 N N 2.509 121.248 118.700 0.065 0.000 2.420 391 N HA 0.276 5.020 4.740 0.008 0.000 0.249 391 N C -2.067 173.272 175.510 -0.285 0.000 1.033 391 N CA -2.324 50.454 53.050 -0.454 0.000 0.944 391 N CB 1.959 40.121 38.487 -0.543 0.000 1.113 391 N HN -0.042 nan 8.380 nan 0.000 0.502 392 P HA -0.100 nan 4.420 nan 0.000 0.216 392 P C 0.440 177.634 177.300 -0.177 0.000 1.153 392 P CA 1.212 64.236 63.100 -0.126 0.000 0.858 392 P CB 0.432 32.098 31.700 -0.056 0.000 0.789 393 D N -0.899 119.334 120.400 -0.278 0.000 2.178 393 D HA -0.069 4.576 4.640 0.008 0.000 0.202 393 D C 2.001 177.881 176.300 -0.700 0.000 0.974 393 D CA 1.346 55.152 54.000 -0.324 0.000 0.841 393 D CB -0.724 39.975 40.800 -0.168 0.000 0.953 393 D HN 0.075 nan 8.370 nan 0.000 0.478 394 A N 0.368 122.688 122.820 -0.834 0.000 1.902 394 A HA -0.176 4.148 4.320 0.008 0.000 0.217 394 A C 2.502 180.058 177.584 -0.047 0.000 1.181 394 A CA 1.182 52.825 52.037 -0.657 0.000 0.623 394 A CB -0.908 17.932 19.000 -0.265 0.000 0.818 394 A HN 0.338 nan 8.150 nan 0.000 0.443 395 C N -0.652 118.650 119.300 0.004 0.000 2.429 395 C HA -0.082 4.383 4.460 0.008 0.000 0.277 395 C C 2.697 177.713 174.990 0.044 0.000 1.262 395 C CA 1.368 60.430 59.018 0.073 0.000 1.733 395 C CB -0.987 26.742 27.740 -0.018 0.000 2.010 395 C HN 0.724 nan 8.230 nan 0.000 0.483 396 K N -0.710 119.684 120.400 -0.009 0.000 2.057 396 K HA -0.226 4.098 4.320 0.008 0.000 0.207 396 K C 2.033 178.667 176.600 0.057 0.000 1.049 396 K CA 1.755 58.042 56.287 0.001 0.000 0.931 396 K CB -0.361 32.135 32.500 -0.006 0.000 0.714 396 K HN 0.667 nan 8.250 nan 0.000 0.440 397 W N 0.556 121.804 121.300 -0.087 0.000 2.318 397 W HA -0.300 4.364 4.660 0.007 0.000 0.313 397 W C 2.007 178.524 176.519 -0.003 0.000 1.221 397 W CA 2.067 59.419 57.345 0.010 0.000 1.266 397 W CB -0.446 29.083 29.460 0.115 0.000 1.150 397 W HN 0.209 nan 8.180 nan 0.000 0.496 398 Y N 0.458 120.891 120.300 0.221 0.000 2.200 398 Y HA -0.136 4.419 4.550 0.008 0.000 0.290 398 Y C 2.399 178.106 175.900 -0.321 0.000 1.137 398 Y CA 2.532 60.621 58.100 -0.018 0.000 1.163 398 Y CB -0.904 37.634 38.460 0.130 0.000 0.988 398 Y HN -0.023 nan 8.280 nan 0.000 0.518 399 A N 0.056 122.850 122.820 -0.044 0.000 1.908 399 A HA -0.222 4.103 4.320 0.008 0.000 0.218 399 A C 1.857 179.271 177.584 -0.284 0.000 1.181 399 A CA 2.146 54.082 52.037 -0.168 0.000 0.627 399 A CB -0.809 18.127 19.000 -0.107 0.000 0.818 399 A HN 0.515 nan 8.150 nan 0.000 0.445 400 D N -0.251 119.972 120.400 -0.295 0.000 2.117 400 D HA -0.097 4.548 4.640 0.008 0.000 0.198 400 D C 1.932 177.959 176.300 -0.454 0.000 0.982 400 D CA 0.976 54.785 54.000 -0.317 0.000 0.828 400 D CB -0.147 40.483 40.800 -0.284 0.000 0.967 400 D HN 0.189 nan 8.370 nan 0.000 0.464 401 K N 0.597 120.554 120.400 -0.738 0.000 2.044 401 K HA -0.094 4.230 4.320 0.008 0.000 0.210 401 K C 2.367 178.507 176.600 -0.765 0.000 1.049 401 K CA 0.586 56.311 56.287 -0.936 0.000 0.927 401 K CB -0.824 30.615 32.500 -1.769 0.000 0.713 401 K HN 0.273 nan 8.250 nan 0.000 0.443 402 L N 0.855 121.589 121.223 -0.815 0.000 2.046 402 L HA -0.176 4.168 4.340 0.008 0.000 0.208 402 L C 2.444 179.220 176.870 -0.157 0.000 1.077 402 L CA 1.354 55.869 54.840 -0.541 0.000 0.747 402 L CB -0.427 41.235 42.059 -0.662 0.000 0.896 402 L HN 0.172 nan 8.230 nan 0.000 0.432 403 K N 0.230 120.519 120.400 -0.185 0.000 2.103 403 K HA -0.140 4.185 4.320 0.008 0.000 0.207 403 K C 2.174 178.728 176.600 -0.076 0.000 1.048 403 K CA 1.289 57.519 56.287 -0.094 0.000 0.930 403 K CB -0.555 31.877 32.500 -0.115 0.000 0.716 403 K HN 0.419 nan 8.250 nan 0.000 0.444 404 G N 1.493 110.220 108.800 -0.122 0.000 2.469 404 G HA2 -0.255 3.709 3.960 0.008 0.000 0.219 404 G HA3 -0.255 3.709 3.960 0.008 0.000 0.219 404 G C 1.459 176.357 174.900 -0.003 0.000 1.150 404 G CA 0.815 45.872 45.100 -0.072 0.000 0.763 404 G HN 0.121 nan 8.290 nan 0.000 0.561 405 L N 0.040 121.286 121.223 0.038 0.000 2.072 405 L HA -0.034 4.311 4.340 0.008 0.000 0.205 405 L C 2.986 179.881 176.870 0.042 0.000 1.079 405 L CA 0.278 55.182 54.840 0.105 0.000 0.752 405 L CB -0.424 41.779 42.059 0.240 0.000 0.906 405 L HN 0.082 nan 8.230 nan 0.000 0.436 406 V N 0.263 120.215 119.914 0.062 0.000 2.407 406 V HA -0.285 3.840 4.120 0.008 0.000 0.248 406 V C 2.647 178.709 176.094 -0.054 0.000 1.055 406 V CA 1.785 64.072 62.300 -0.022 0.000 1.049 406 V CB -0.873 30.953 31.823 0.006 0.000 0.662 406 V HN 0.490 nan 8.190 nan 0.000 0.455 407 A N -1.359 121.437 122.820 -0.041 0.000 2.119 407 A HA -0.066 4.259 4.320 0.008 0.000 0.217 407 A C 2.137 179.683 177.584 -0.062 0.000 1.153 407 A CA 1.338 53.343 52.037 -0.052 0.000 0.692 407 A CB -0.441 18.532 19.000 -0.045 0.000 0.799 407 A HN 0.510 nan 8.150 nan 0.000 0.458 408 M N -1.892 117.670 119.600 -0.062 0.000 2.541 408 M HA 0.143 4.627 4.480 0.008 0.000 0.252 408 M C 1.337 177.563 176.300 -0.123 0.000 1.125 408 M CA 1.019 56.264 55.300 -0.091 0.000 1.091 408 M CB 0.434 32.988 32.600 -0.077 0.000 1.420 408 M HN 0.615 nan 8.290 nan 0.000 0.486 409 G N -0.009 108.719 108.800 -0.121 0.000 2.192 409 G HA2 -0.167 3.798 3.960 0.008 0.000 0.193 409 G HA3 -0.167 3.798 3.960 0.008 0.000 0.193 409 G C -0.021 174.771 174.900 -0.179 0.000 0.999 409 G CA -0.347 44.664 45.100 -0.147 0.000 0.659 409 G HN 0.221 nan 8.290 nan 0.000 0.503 410 V N 1.964 121.767 119.914 -0.184 0.000 2.599 410 V HA 0.172 4.297 4.120 0.008 0.000 0.300 410 V C 1.193 177.096 176.094 -0.319 0.000 1.034 410 V CA 1.018 63.157 62.300 -0.267 0.000 1.115 410 V CB 1.166 32.799 31.823 -0.317 0.000 0.934 410 V HN 0.353 nan 8.190 nan 0.000 0.485 411 D N 2.419 122.620 120.400 -0.333 0.000 2.277 411 D HA 0.100 4.745 4.640 0.008 0.000 0.209 411 D C 0.537 176.700 176.300 -0.228 0.000 0.970 411 D CA 0.942 54.773 54.000 -0.280 0.000 0.874 411 D CB 0.646 41.217 40.800 -0.381 0.000 0.982 411 D HN 0.754 nan 8.370 nan 0.000 0.504 412 C N -1.336 117.763 119.300 -0.336 0.000 3.332 412 C HA 0.767 5.231 4.460 0.008 0.000 0.329 412 C C -1.420 173.298 174.990 -0.452 0.000 1.434 412 C CA -1.354 57.520 59.018 -0.239 0.000 1.314 412 C CB 0.753 28.625 27.740 0.219 0.000 1.664 412 C HN -0.017 nan 8.230 nan 0.000 0.457 413 F N 0.687 120.739 119.950 0.171 0.000 2.551 413 F HA 0.591 5.123 4.527 0.007 0.000 0.316 413 F C 0.179 176.083 175.800 0.173 0.000 1.089 413 F CA -0.636 57.459 58.000 0.159 0.000 0.915 413 F CB 1.731 40.795 39.000 0.106 0.000 1.186 413 F HN 0.756 nan 8.300 nan 0.000 0.456 414 K N 2.064 122.687 120.400 0.372 0.000 2.273 414 K HA 0.227 4.551 4.320 0.008 0.000 0.287 414 K C -0.444 176.245 176.600 0.148 0.000 1.089 414 K CA -0.298 56.110 56.287 0.202 0.000 0.909 414 K CB 0.424 32.957 32.500 0.054 0.000 1.123 414 K HN 0.738 nan 8.250 nan 0.000 0.473 415 T N 1.395 116.029 114.554 0.134 0.000 3.176 415 T HA 0.088 4.442 4.350 0.008 0.000 0.301 415 T C -0.111 174.695 174.700 0.176 0.000 1.115 415 T CA -0.912 61.221 62.100 0.055 0.000 1.027 415 T CB 0.290 68.975 68.868 -0.305 0.000 1.063 415 T HN 0.447 nan 8.240 nan 0.000 0.669 416 D N 1.360 121.845 120.400 0.140 0.000 2.348 416 D HA 0.523 5.167 4.640 0.008 0.000 0.249 416 D C 0.559 177.015 176.300 0.260 0.000 1.110 416 D CA -0.730 53.386 54.000 0.194 0.000 0.967 416 D CB 0.247 41.164 40.800 0.196 0.000 1.139 416 D HN 0.428 nan 8.370 nan 0.000 0.466 417 F N -0.107 119.852 119.950 0.015 0.000 2.183 417 F HA -0.158 4.374 4.527 0.007 0.000 0.318 417 F C 1.772 177.643 175.800 0.118 0.000 0.129 417 F CA 1.258 59.261 58.000 0.006 0.000 0.912 417 F CB -1.408 37.487 39.000 -0.176 0.000 4.135 417 F HN 0.602 nan 8.300 nan 0.000 0.137 418 G N -1.018 107.988 108.800 0.343 0.000 2.176 418 G HA2 -0.234 3.730 3.960 0.008 0.000 0.232 418 G HA3 -0.234 3.730 3.960 0.008 0.000 0.232 418 G C 0.482 175.552 174.900 0.283 0.000 0.986 418 G CA 0.782 46.104 45.100 0.371 0.000 0.643 418 G HN 0.718 nan 8.290 nan 0.000 0.522 419 E N 0.176 120.537 120.200 0.269 0.000 2.075 419 E HA 0.208 4.563 4.350 0.008 0.000 0.190 419 E C 1.725 178.314 176.600 -0.018 0.000 0.969 419 E CA 0.420 56.880 56.400 0.099 0.000 0.815 419 E CB -0.037 29.780 29.700 0.195 0.000 0.776 419 E HN 0.425 nan 8.360 nan 0.000 0.457 420 R N 1.447 122.054 120.500 0.178 0.000 4.138 420 R HA 0.156 4.500 4.340 0.008 0.000 0.206 420 R C -0.578 175.649 176.300 -0.122 0.000 1.667 420 R CA -0.115 56.086 56.100 0.168 0.000 1.481 420 R CB -0.078 30.471 30.300 0.414 0.000 1.388 420 R HN 0.079 nan 8.270 nan 0.000 0.776 421 I N 4.158 124.606 120.570 -0.202 0.000 2.304 421 I HA 0.240 4.415 4.170 0.008 0.000 0.291 421 I C -1.680 174.339 176.117 -0.163 0.000 1.018 421 I CA -3.276 57.821 61.300 -0.338 0.000 1.260 421 I CB 0.917 38.694 38.000 -0.372 0.000 1.390 421 I HN 0.132 nan 8.210 nan 0.000 0.475 422 P HA 0.201 nan 4.420 nan 0.000 0.274 422 P C 0.352 177.543 177.300 -0.181 0.000 1.237 422 P CA -0.080 62.750 63.100 -0.450 0.000 0.793 422 P CB 1.090 32.084 31.700 -1.176 0.000 0.977 423 T N -4.061 110.493 114.554 0.001 0.000 3.010 423 T HA 0.047 4.401 4.350 0.008 0.000 0.257 423 T C 0.474 175.208 174.700 0.056 0.000 1.020 423 T CA -0.139 62.029 62.100 0.114 0.000 0.938 423 T CB -0.455 68.545 68.868 0.219 0.000 1.049 423 T HN 0.409 nan 8.240 nan 0.000 0.522 424 D N 2.723 123.132 120.400 0.015 0.000 3.110 424 D HA 0.337 4.982 4.640 0.008 0.000 0.254 424 D C 0.348 176.652 176.300 0.007 0.000 1.283 424 D CA -0.468 53.562 54.000 0.051 0.000 0.944 424 D CB 0.269 41.136 40.800 0.112 0.000 1.066 424 D HN 0.476 nan 8.370 nan 0.000 0.496 425 V N -3.409 116.459 119.914 -0.077 0.000 3.182 425 V HA 0.576 4.701 4.120 0.008 0.000 0.308 425 V C -1.224 174.759 176.094 -0.184 0.000 1.240 425 V CA -1.173 61.008 62.300 -0.198 0.000 1.063 425 V CB 2.141 33.662 31.823 -0.502 0.000 1.076 425 V HN 0.161 nan 8.190 nan 0.000 0.446 426 Q N 0.562 120.224 119.800 -0.230 0.000 2.320 426 Q HA 0.422 4.766 4.340 0.008 0.000 0.268 426 Q C -1.802 174.097 176.000 -0.169 0.000 1.023 426 Q CA -0.492 55.242 55.803 -0.115 0.000 0.744 426 Q CB 1.596 30.313 28.738 -0.035 0.000 1.246 426 Q HN 0.808 nan 8.270 nan 0.000 0.462 427 W N 3.159 124.491 121.300 0.053 0.000 2.190 427 W HA 0.088 4.752 4.660 0.008 0.000 0.330 427 W C 1.156 177.751 176.519 0.127 0.000 1.299 427 W CA -0.426 56.980 57.345 0.101 0.000 1.215 427 W CB 0.349 29.873 29.460 0.108 0.000 1.147 427 W HN 0.743 nan 8.180 nan 0.000 0.563 428 F N 2.695 122.815 119.950 0.282 0.000 2.085 428 F HA -0.379 4.153 4.527 0.008 0.000 0.299 428 F C 2.179 178.089 175.800 0.183 0.000 1.096 428 F CA 2.490 60.605 58.000 0.193 0.000 1.227 428 F CB -0.073 39.040 39.000 0.188 0.000 0.983 428 F HN 0.393 nan 8.300 nan 0.000 0.482 429 D N -0.932 119.681 120.400 0.356 0.000 2.325 429 D HA 0.125 4.770 4.640 0.008 0.000 0.225 429 D C 1.631 178.006 176.300 0.125 0.000 1.096 429 D CA 0.708 54.828 54.000 0.201 0.000 0.844 429 D CB -0.658 40.294 40.800 0.254 0.000 0.925 429 D HN 0.450 nan 8.370 nan 0.000 0.513 430 G N 0.049 108.940 108.800 0.151 0.000 2.168 430 G HA2 -0.313 3.651 3.960 0.008 0.000 0.257 430 G HA3 -0.313 3.651 3.960 0.008 0.000 0.257 430 G C 0.394 175.379 174.900 0.141 0.000 0.997 430 G CA 0.402 45.578 45.100 0.127 0.000 0.708 430 G HN 0.439 nan 8.290 nan 0.000 0.520 431 S N 0.098 115.894 115.700 0.161 0.000 2.569 431 S HA 0.267 4.742 4.470 0.008 0.000 0.274 431 S C 0.523 175.184 174.600 0.102 0.000 1.353 431 S CA 0.164 58.392 58.200 0.048 0.000 1.023 431 S CB 0.834 63.961 63.200 -0.123 0.000 0.876 431 S HN 0.472 nan 8.310 nan 0.000 0.540 432 D N 1.812 122.232 120.400 0.034 0.000 2.363 432 D HA 0.135 4.780 4.640 0.008 0.000 0.263 432 D C -1.661 174.719 176.300 0.133 0.000 1.258 432 D CA -1.915 52.135 54.000 0.083 0.000 0.907 432 D CB 0.953 41.777 40.800 0.039 0.000 1.107 432 D HN 0.071 nan 8.370 nan 0.000 0.495 433 P HA -0.143 nan 4.420 nan 0.000 0.219 433 P C 1.193 178.679 177.300 0.309 0.000 1.146 433 P CA 0.901 64.238 63.100 0.395 0.000 0.808 433 P CB 0.292 32.215 31.700 0.371 0.000 0.779 434 Q N -0.097 119.856 119.800 0.254 0.000 2.167 434 Q HA -0.108 4.236 4.340 0.008 0.000 0.202 434 Q C 1.831 178.021 176.000 0.317 0.000 0.970 434 Q CA 1.378 57.376 55.803 0.325 0.000 0.855 434 Q CB -0.412 28.454 28.738 0.213 0.000 0.911 434 Q HN 0.433 nan 8.270 nan 0.000 0.438 435 K N -0.462 120.033 120.400 0.158 0.000 2.186 435 K HA 0.101 4.426 4.320 0.008 0.000 0.202 435 K C 1.996 178.622 176.600 0.044 0.000 1.052 435 K CA 0.351 56.678 56.287 0.066 0.000 0.965 435 K CB 0.078 32.532 32.500 -0.078 0.000 0.746 435 K HN 0.094 nan 8.250 nan 0.000 0.457 436 M N 0.425 120.017 119.600 -0.014 0.000 2.374 436 M HA -0.122 4.363 4.480 0.008 0.000 0.264 436 M C 1.990 178.295 176.300 0.009 0.000 1.067 436 M CA 1.526 56.747 55.300 -0.132 0.000 1.103 436 M CB -0.859 31.390 32.600 -0.586 0.000 1.402 436 M HN 0.245 nan 8.290 nan 0.000 0.444 437 H N 1.276 120.335 119.070 -0.018 0.000 2.251 437 H HA -0.145 4.415 4.556 0.008 0.000 0.294 437 H C 1.769 176.994 175.328 -0.173 0.000 1.078 437 H CA 2.522 58.453 56.048 -0.195 0.000 1.246 437 H CB 0.056 29.445 29.762 -0.622 0.000 1.358 437 H HN 0.288 nan 8.280 nan 0.000 0.488 438 N N -0.746 117.902 118.700 -0.086 0.000 2.216 438 N HA -0.141 4.603 4.740 0.008 0.000 0.183 438 N C 1.860 177.461 175.510 0.152 0.000 1.017 438 N CA 1.393 54.454 53.050 0.020 0.000 0.861 438 N CB -0.563 38.052 38.487 0.214 0.000 0.986 438 N HN 0.538 nan 8.380 nan 0.000 0.428 439 H N -0.598 118.520 119.070 0.080 0.000 2.495 439 H HA -0.011 4.550 4.556 0.008 0.000 0.287 439 H C 1.767 177.185 175.328 0.150 0.000 1.033 439 H CA 0.778 56.897 56.048 0.118 0.000 1.307 439 H CB -0.200 29.572 29.762 0.017 0.000 1.401 439 H HN 0.224 nan 8.280 nan 0.000 0.555 440 Y N 0.478 120.755 120.300 -0.038 0.000 2.139 440 Y HA -0.336 4.219 4.550 0.008 0.000 0.282 440 Y C 2.562 178.505 175.900 0.071 0.000 1.179 440 Y CA 1.982 60.066 58.100 -0.026 0.000 1.161 440 Y CB -0.692 37.753 38.460 -0.026 0.000 0.970 440 Y HN 0.326 nan 8.280 nan 0.000 0.511 441 A N -0.640 122.325 122.820 0.242 0.000 1.948 441 A HA -0.293 4.032 4.320 0.008 0.000 0.220 441 A C 2.111 179.747 177.584 0.088 0.000 1.177 441 A CA 1.896 54.073 52.037 0.234 0.000 0.636 441 A CB -1.563 17.561 19.000 0.207 0.000 0.815 441 A HN 0.753 nan 8.150 nan 0.000 0.449 442 Y N 0.419 120.653 120.300 -0.110 0.000 2.114 442 Y HA -0.200 4.354 4.550 0.008 0.000 0.284 442 Y C 2.153 177.908 175.900 -0.241 0.000 1.143 442 Y CA 1.823 59.832 58.100 -0.151 0.000 1.135 442 Y CB -0.152 38.098 38.460 -0.350 0.000 0.980 442 Y HN 0.229 nan 8.280 nan 0.000 0.499 443 I N 0.017 120.448 120.570 -0.232 0.000 2.163 443 I HA -0.360 3.815 4.170 0.008 0.000 0.243 443 I C 2.420 178.260 176.117 -0.462 0.000 1.085 443 I CA 2.016 63.143 61.300 -0.290 0.000 1.347 443 I CB -1.504 36.373 38.000 -0.205 0.000 1.044 443 I HN 0.458 nan 8.210 nan 0.000 0.408 444 Y N 2.197 122.135 120.300 -0.604 0.000 2.097 444 Y HA -0.283 4.271 4.550 0.008 0.000 0.282 444 Y C 2.545 178.108 175.900 -0.561 0.000 1.152 444 Y CA 1.775 59.464 58.100 -0.685 0.000 1.136 444 Y CB -0.182 38.055 38.460 -0.372 0.000 0.975 444 Y HN 0.205 nan 8.280 nan 0.000 0.498 445 N N 0.528 118.847 118.700 -0.636 0.000 2.244 445 N HA -0.206 4.538 4.740 0.008 0.000 0.183 445 N C 1.794 176.752 175.510 -0.920 0.000 1.016 445 N CA 1.416 54.042 53.050 -0.707 0.000 0.866 445 N CB -0.295 37.961 38.487 -0.386 0.000 0.980 445 N HN 0.622 nan 8.380 nan 0.000 0.430 446 E N 1.616 121.105 120.200 -1.185 0.000 2.051 446 E HA -0.159 4.196 4.350 0.008 0.000 0.192 446 E C 2.219 178.380 176.600 -0.731 0.000 0.991 446 E CA 0.590 56.129 56.400 -1.434 0.000 0.799 446 E CB -0.085 28.969 29.700 -1.076 0.000 0.748 446 E HN 0.264 nan 8.360 nan 0.000 0.449 447 L N 0.640 121.507 121.223 -0.594 0.000 1.989 447 L HA -0.190 4.155 4.340 0.008 0.000 0.211 447 L C 2.403 179.068 176.870 -0.341 0.000 1.071 447 L CA 1.446 56.014 54.840 -0.453 0.000 0.749 447 L CB -0.289 41.400 42.059 -0.617 0.000 0.890 447 L HN 0.091 nan 8.230 nan 0.000 0.431 448 V N -0.475 119.230 119.914 -0.349 0.000 2.295 448 V HA -0.340 3.785 4.120 0.008 0.000 0.246 448 V C 2.199 178.225 176.094 -0.114 0.000 1.049 448 V CA 2.338 64.514 62.300 -0.208 0.000 1.024 448 V CB -1.069 30.637 31.823 -0.196 0.000 0.648 448 V HN 0.741 nan 8.190 nan 0.000 0.447 449 W N 1.387 122.462 121.300 -0.376 0.000 2.318 449 W HA -0.253 4.411 4.660 0.007 0.000 0.313 449 W C 2.292 178.693 176.519 -0.197 0.000 1.221 449 W CA 2.204 59.372 57.345 -0.294 0.000 1.266 449 W CB -0.417 28.720 29.460 -0.539 0.000 1.150 449 W HN 0.348 nan 8.180 nan 0.000 0.496 450 N N 0.373 119.019 118.700 -0.090 0.000 2.289 450 N HA -0.149 4.596 4.740 0.008 0.000 0.184 450 N C 1.704 177.135 175.510 -0.132 0.000 1.016 450 N CA 1.551 54.542 53.050 -0.098 0.000 0.872 450 N CB -0.793 37.640 38.487 -0.091 0.000 0.973 450 N HN 0.049 nan 8.380 nan 0.000 0.433 451 V N 0.870 120.703 119.914 -0.135 0.000 2.307 451 V HA -0.165 3.960 4.120 0.008 0.000 0.245 451 V C 2.224 178.262 176.094 -0.094 0.000 1.045 451 V CA 1.047 63.285 62.300 -0.103 0.000 1.024 451 V CB -0.368 31.398 31.823 -0.095 0.000 0.651 451 V HN 0.174 nan 8.190 nan 0.000 0.449 452 L N 0.238 121.387 121.223 -0.124 0.000 2.017 452 L HA -0.183 4.162 4.340 0.008 0.000 0.208 452 L C 2.418 179.145 176.870 -0.238 0.000 1.073 452 L CA 2.146 56.884 54.840 -0.171 0.000 0.745 452 L CB -1.205 40.693 42.059 -0.270 0.000 0.894 452 L HN 0.397 nan 8.230 nan 0.000 0.432 453 K N -0.475 119.734 120.400 -0.319 0.000 2.103 453 K HA -0.186 4.139 4.320 0.008 0.000 0.207 453 K C 1.230 177.756 176.600 -0.123 0.000 1.048 453 K CA 1.783 57.927 56.287 -0.237 0.000 0.930 453 K CB -0.033 32.351 32.500 -0.193 0.000 0.716 453 K HN 0.260 nan 8.250 nan 0.000 0.444 454 D N -0.593 119.745 120.400 -0.102 0.000 2.349 454 D HA -0.035 4.610 4.640 0.008 0.000 0.224 454 D C 1.263 177.526 176.300 -0.061 0.000 1.029 454 D CA 1.226 55.186 54.000 -0.067 0.000 0.879 454 D CB 0.748 41.512 40.800 -0.060 0.000 0.906 454 D HN 0.546 nan 8.370 nan 0.000 0.528 455 T N -3.076 111.437 114.554 -0.069 0.000 3.125 455 T HA 0.010 4.364 4.350 0.008 0.000 0.252 455 T C 1.772 176.438 174.700 -0.057 0.000 0.981 455 T CA 0.458 62.524 62.100 -0.057 0.000 1.069 455 T CB -0.386 68.453 68.868 -0.049 0.000 1.091 455 T HN -0.009 nan 8.240 nan 0.000 0.460 456 V N -0.472 119.402 119.914 -0.067 0.000 3.590 456 V HA 0.669 4.794 4.120 0.008 0.000 0.265 456 V C 1.123 177.188 176.094 -0.047 0.000 1.239 456 V CA 0.196 62.463 62.300 -0.055 0.000 1.117 456 V CB -0.918 30.877 31.823 -0.047 0.000 0.818 456 V HN 1.152 nan 8.190 nan 0.000 0.451 457 G N 0.814 109.573 108.800 -0.068 0.000 2.785 457 G HA2 -0.186 3.778 3.960 0.008 0.000 0.686 457 G HA3 -0.186 3.778 3.960 0.008 0.000 0.686 457 G C 0.126 174.971 174.900 -0.091 0.000 1.155 457 G CA 0.204 45.269 45.100 -0.057 0.000 0.760 457 G HN 0.538 nan 8.290 nan 0.000 0.624 458 E N 0.370 120.527 120.200 -0.071 0.000 2.130 458 E HA -0.222 4.132 4.350 0.008 0.000 0.196 458 E C 2.057 178.635 176.600 -0.037 0.000 0.998 458 E CA 2.220 58.578 56.400 -0.071 0.000 0.806 458 E CB 0.026 29.745 29.700 0.031 0.000 0.738 458 E HN 0.650 nan 8.360 nan 0.000 0.459 459 E N 0.363 120.569 120.200 0.011 0.000 2.347 459 E HA -0.101 4.254 4.350 0.008 0.000 0.196 459 E C 1.314 177.938 176.600 0.040 0.000 1.008 459 E CA 0.661 57.093 56.400 0.052 0.000 0.852 459 E CB 0.087 29.831 29.700 0.072 0.000 0.783 459 E HN 0.222 nan 8.360 nan 0.000 0.505 460 E N 0.162 120.368 120.200 0.010 0.000 2.481 460 E HA 0.250 4.604 4.350 0.008 0.000 0.198 460 E C 0.009 176.601 176.600 -0.014 0.000 1.027 460 E CA 0.094 56.542 56.400 0.079 0.000 0.900 460 E CB 0.402 30.172 29.700 0.116 0.000 0.993 460 E HN 0.205 nan 8.360 nan 0.000 0.482 461 A N 1.174 123.858 122.820 -0.228 0.000 2.409 461 A HA 0.433 4.758 4.320 0.008 0.000 0.262 461 A C -0.078 177.281 177.584 -0.375 0.000 1.113 461 A CA -0.143 51.582 52.037 -0.520 0.000 0.790 461 A CB 0.740 18.970 19.000 -1.284 0.000 1.046 461 A HN 0.013 nan 8.150 nan 0.000 0.496 462 V N 3.782 123.597 119.914 -0.164 0.000 3.147 462 V HA 0.641 4.766 4.120 0.008 0.000 0.299 462 V C -1.151 175.066 176.094 0.204 0.000 1.302 462 V CA -0.575 61.778 62.300 0.089 0.000 1.015 462 V CB 2.017 33.822 31.823 -0.031 0.000 1.086 462 V HN 0.902 nan 8.190 nan 0.000 0.437 463 L N 3.666 125.031 121.223 0.238 0.000 2.256 463 L HA 0.676 5.021 4.340 0.008 0.000 0.261 463 L C -1.500 175.427 176.870 0.095 0.000 1.022 463 L CA -0.665 54.293 54.840 0.196 0.000 0.828 463 L CB 2.253 44.400 42.059 0.148 0.000 1.374 463 L HN 0.613 nan 8.230 nan 0.000 0.436 464 F N 1.091 120.993 119.950 -0.081 0.000 2.532 464 F HA 0.637 5.168 4.527 0.008 0.000 0.365 464 F C -0.029 175.807 175.800 0.060 0.000 1.112 464 F CA -0.462 57.426 58.000 -0.187 0.000 1.082 464 F CB 1.343 40.075 39.000 -0.446 0.000 1.319 464 F HN 0.370 nan 8.300 nan 0.000 0.457 465 A N 4.640 127.466 122.820 0.011 0.000 2.317 465 A HA 0.588 4.913 4.320 0.008 0.000 0.327 465 A C 0.833 178.362 177.584 -0.091 0.000 1.178 465 A CA -0.589 51.431 52.037 -0.029 0.000 0.817 465 A CB 1.221 19.999 19.000 -0.371 0.000 1.189 465 A HN 0.878 nan 8.150 nan 0.000 0.489 466 R N 0.739 121.076 120.500 -0.271 0.000 2.128 466 R HA 0.085 4.430 4.340 0.008 0.000 0.211 466 R C 0.499 176.556 176.300 -0.405 0.000 1.067 466 R CA 1.344 56.942 56.100 -0.837 0.000 1.010 466 R CB 0.120 29.802 30.300 -1.029 0.000 0.922 466 R HN 0.839 nan 8.270 nan 0.000 0.457 467 S N -1.091 114.556 115.700 -0.088 0.000 2.726 467 S HA 0.889 5.363 4.470 0.008 0.000 0.308 467 S C -0.743 173.930 174.600 0.121 0.000 1.115 467 S CA -0.597 57.630 58.200 0.046 0.000 0.965 467 S CB 2.284 65.558 63.200 0.123 0.000 1.145 467 S HN 0.236 nan 8.310 nan 0.000 0.532 468 A N -0.120 122.764 122.820 0.108 0.000 2.566 468 A HA 0.892 5.217 4.320 0.008 0.000 0.290 468 A C -0.654 177.029 177.584 0.166 0.000 1.071 468 A CA -0.457 51.673 52.037 0.155 0.000 0.658 468 A CB 0.983 19.974 19.000 -0.015 0.000 1.285 468 A HN 1.367 nan 8.150 nan 0.000 0.427 469 S N -1.260 114.584 115.700 0.240 0.000 2.615 469 S HA 0.566 5.041 4.470 0.008 0.000 0.269 469 S C -1.015 173.691 174.600 0.177 0.000 1.161 469 S CA -0.123 58.221 58.200 0.239 0.000 0.817 469 S CB 1.205 64.583 63.200 0.296 0.000 1.131 469 S HN 1.638 nan 8.310 nan 0.000 0.467 470 V N 2.857 122.756 119.914 -0.025 0.000 2.625 470 V HA 0.362 4.486 4.120 0.008 0.000 0.305 470 V C 1.825 177.774 176.094 -0.241 0.000 1.055 470 V CA 2.010 64.128 62.300 -0.303 0.000 1.209 470 V CB -0.139 31.093 31.823 -0.984 0.000 0.877 470 V HN 1.609 nan 8.190 nan 0.000 0.489 471 G N 4.078 112.694 108.800 -0.308 0.000 2.234 471 G HA2 -0.204 3.760 3.960 0.008 0.000 0.235 471 G HA3 -0.204 3.760 3.960 0.008 0.000 0.235 471 G C 0.929 175.687 174.900 -0.237 0.000 0.997 471 G CA 0.263 45.201 45.100 -0.271 0.000 0.623 471 G HN 1.419 nan 8.290 nan 0.000 0.514 472 A N 1.015 123.792 122.820 -0.071 0.000 2.209 472 A HA 0.206 4.530 4.320 0.008 0.000 0.212 472 A C 2.197 179.584 177.584 -0.329 0.000 1.158 472 A CA 2.005 53.997 52.037 -0.075 0.000 0.742 472 A CB -0.341 18.838 19.000 0.299 0.000 0.790 472 A HN 0.928 nan 8.150 nan 0.000 0.472 473 Q N 0.780 120.115 119.800 -0.775 0.000 2.439 473 Q HA -0.158 4.186 4.340 0.008 0.000 0.211 473 Q C 1.043 176.659 176.000 -0.640 0.000 0.978 473 Q CA 1.649 56.893 55.803 -0.930 0.000 0.897 473 Q CB -0.483 27.376 28.738 -1.465 0.000 0.956 473 Q HN 0.652 nan 8.270 nan 0.000 0.483 474 K N 0.107 119.945 120.400 -0.936 0.000 2.439 474 K HA 0.027 4.351 4.320 0.008 0.000 0.197 474 K C -0.308 175.484 176.600 -1.346 0.000 1.041 474 K CA 0.392 56.028 56.287 -1.086 0.000 0.970 474 K CB 0.154 31.881 32.500 -1.287 0.000 0.773 474 K HN 0.158 nan 8.250 nan 0.000 0.479 475 F N 1.645 121.139 119.950 -0.759 0.000 2.438 475 F HA 0.296 4.827 4.527 0.008 0.000 0.315 475 F C -2.289 173.211 175.800 -0.502 0.000 1.258 475 F CA -3.688 53.644 58.000 -1.113 0.000 1.180 475 F CB -0.058 38.503 39.000 -0.732 0.000 1.412 475 F HN -0.157 nan 8.300 nan 0.000 0.544 476 P HA 0.307 nan 4.420 nan 0.000 0.275 476 P C -0.170 177.033 177.300 -0.162 0.000 1.266 476 P CA -0.161 62.898 63.100 -0.069 0.000 0.793 476 P CB 1.918 33.648 31.700 0.050 0.000 1.074 477 V N -1.159 118.574 119.914 -0.301 0.000 3.207 477 V HA -0.164 3.960 4.120 0.008 0.000 0.455 477 V C -0.721 174.970 176.094 -0.672 0.000 0.682 477 V CA 0.400 62.359 62.300 -0.570 0.000 1.985 477 V CB -2.564 28.692 31.823 -0.946 0.000 2.454 477 V HN 0.756 nan 8.190 nan 0.000 0.494 478 H N 3.300 122.191 119.070 -0.299 0.000 2.492 478 H HA 0.721 5.282 4.556 0.008 0.000 0.345 478 H C -0.055 175.074 175.328 -0.331 0.000 1.136 478 H CA 0.177 56.099 56.048 -0.210 0.000 1.202 478 H CB 1.386 31.112 29.762 -0.059 0.000 1.524 478 H HN 0.834 nan 8.280 nan 0.000 0.506 479 W N 1.965 122.989 121.300 -0.461 0.000 2.781 479 W HA 0.540 5.204 4.660 0.007 0.000 0.345 479 W C 0.336 176.742 176.519 -0.189 0.000 1.085 479 W CA -1.344 55.680 57.345 -0.534 0.000 1.198 479 W CB 1.057 30.206 29.460 -0.519 0.000 1.423 479 W HN 0.642 nan 8.180 nan 0.000 0.532 480 G N 1.856 110.543 108.800 -0.188 0.000 2.990 480 G HA2 0.337 4.302 3.960 0.008 0.000 0.206 480 G HA3 0.337 4.302 3.960 0.008 0.000 0.206 480 G C 0.788 175.664 174.900 -0.040 0.000 1.169 480 G CA 0.514 45.775 45.100 0.268 0.000 0.819 480 G HN 1.590 nan 8.290 nan 0.000 0.517 481 G N 0.498 108.815 108.800 -0.805 0.000 2.539 481 G HA2 -0.259 3.705 3.960 0.008 0.000 0.256 481 G HA3 -0.259 3.705 3.960 0.008 0.000 0.256 481 G C -0.517 174.348 174.900 -0.057 0.000 1.233 481 G CA -0.019 44.661 45.100 -0.700 0.000 0.936 481 G HN 0.251 nan 8.290 nan 0.000 0.571 482 D N 1.734 122.108 120.400 -0.044 0.000 2.522 482 D HA 0.432 5.077 4.640 0.008 0.000 0.218 482 D C 1.342 177.784 176.300 0.236 0.000 1.149 482 D CA 0.453 54.416 54.000 -0.060 0.000 0.981 482 D CB -0.664 40.056 40.800 -0.133 0.000 1.041 482 D HN 0.849 nan 8.370 nan 0.000 0.518 483 C N 0.418 119.904 119.300 0.310 0.000 2.480 483 C HA 0.562 5.027 4.460 0.008 0.000 0.344 483 C C 0.422 175.649 174.990 0.394 0.000 1.380 483 C CA -0.875 58.391 59.018 0.413 0.000 2.386 483 C CB -0.210 27.853 27.740 0.538 0.000 2.210 483 C HN 0.421 nan 8.230 nan 0.000 0.640 484 Y N -1.075 119.441 120.300 0.360 0.000 2.549 484 Y HA 0.536 5.090 4.550 0.006 0.000 0.339 484 Y C 0.717 176.827 175.900 0.351 0.000 1.053 484 Y CA -0.444 57.829 58.100 0.289 0.000 1.105 484 Y CB 1.607 40.202 38.460 0.225 0.000 1.258 484 Y HN 0.900 nan 8.280 nan 0.000 0.478 485 A N 3.067 126.086 122.820 0.332 0.000 3.063 485 A HA 0.308 4.633 4.320 0.008 0.000 0.263 485 A C -0.801 176.973 177.584 0.316 0.000 1.736 485 A CA -0.095 52.115 52.037 0.288 0.000 1.408 485 A CB -1.739 17.330 19.000 0.114 0.000 1.108 485 A HN 0.755 nan 8.150 nan 0.000 0.621 486 N N -2.476 116.475 118.700 0.419 0.000 2.825 486 N HA 0.379 5.124 4.740 0.008 0.000 0.253 486 N C -0.104 175.535 175.510 0.216 0.000 1.426 486 N CA -0.801 52.367 53.050 0.197 0.000 0.851 486 N CB 0.293 38.899 38.487 0.198 0.000 1.470 486 N HN -0.089 nan 8.380 nan 0.000 0.517 487 Y N -0.090 120.372 120.300 0.269 0.000 2.200 487 Y HA -0.023 4.532 4.550 0.008 0.000 0.290 487 Y C 1.709 177.714 175.900 0.176 0.000 1.137 487 Y CA 1.404 59.653 58.100 0.248 0.000 1.163 487 Y CB -0.407 38.223 38.460 0.284 0.000 0.988 487 Y HN 0.660 nan 8.280 nan 0.000 0.518 488 E N -0.695 119.676 120.200 0.286 0.000 2.118 488 E HA -0.185 4.169 4.350 0.008 0.000 0.195 488 E C 2.467 179.155 176.600 0.147 0.000 0.992 488 E CA 1.580 58.071 56.400 0.152 0.000 0.804 488 E CB -0.457 29.318 29.700 0.124 0.000 0.741 488 E HN 0.189 nan 8.360 nan 0.000 0.458 489 S N -0.710 115.123 115.700 0.221 0.000 2.414 489 S HA -0.007 4.468 4.470 0.008 0.000 0.227 489 S C 1.828 176.571 174.600 0.238 0.000 1.022 489 S CA 0.647 59.016 58.200 0.281 0.000 0.958 489 S CB -0.140 63.319 63.200 0.432 0.000 0.797 489 S HN 0.246 nan 8.310 nan 0.000 0.493 490 M N 1.069 120.641 119.600 -0.047 0.000 2.106 490 M HA -0.154 4.330 4.480 0.008 0.000 0.259 490 M C 2.071 178.399 176.300 0.046 0.000 1.068 490 M CA 1.886 56.889 55.300 -0.495 0.000 1.100 490 M CB -0.406 31.738 32.600 -0.760 0.000 1.351 490 M HN 0.472 nan 8.290 nan 0.000 0.404 491 A N 0.456 123.346 122.820 0.117 0.000 1.929 491 A HA -0.201 4.123 4.320 0.008 0.000 0.216 491 A C 1.906 179.506 177.584 0.026 0.000 1.176 491 A CA 1.714 53.696 52.037 -0.092 0.000 0.628 491 A CB -0.893 17.831 19.000 -0.460 0.000 0.816 491 A HN 0.774 nan 8.150 nan 0.000 0.444 492 E N -0.233 120.036 120.200 0.116 0.000 2.072 492 E HA -0.131 4.224 4.350 0.008 0.000 0.191 492 E C 1.958 178.788 176.600 0.384 0.000 0.985 492 E CA 1.484 58.012 56.400 0.214 0.000 0.801 492 E CB -0.484 29.342 29.700 0.209 0.000 0.750 492 E HN 0.388 nan 8.360 nan 0.000 0.452 493 S N 1.236 117.183 115.700 0.412 0.000 2.359 493 S HA -0.178 4.297 4.470 0.008 0.000 0.223 493 S C 1.882 176.790 174.600 0.514 0.000 1.039 493 S CA 1.391 59.960 58.200 0.614 0.000 1.042 493 S CB -0.515 63.078 63.200 0.656 0.000 0.915 493 S HN 0.303 nan 8.310 nan 0.000 0.439 494 L N 2.327 123.757 121.223 0.345 0.000 1.990 494 L HA -0.161 4.184 4.340 0.008 0.000 0.213 494 L C 2.226 179.064 176.870 -0.053 0.000 1.072 494 L CA 1.818 56.754 54.840 0.160 0.000 0.755 494 L CB -0.750 41.322 42.059 0.022 0.000 0.889 494 L HN 0.192 nan 8.230 nan 0.000 0.432 495 R N -0.634 119.866 120.500 0.000 0.000 2.103 495 R HA -0.175 4.169 4.340 0.008 0.000 0.242 495 R C 2.185 178.362 176.300 -0.204 0.000 1.142 495 R CA 1.368 57.429 56.100 -0.066 0.000 0.960 495 R CB -1.127 29.173 30.300 -0.000 0.000 0.858 495 R HN 0.628 nan 8.270 nan 0.000 0.439 496 G N 0.153 108.842 108.800 -0.184 0.000 2.404 496 G HA2 -0.205 3.760 3.960 0.008 0.000 0.215 496 G HA3 -0.205 3.760 3.960 0.008 0.000 0.215 496 G C 1.528 175.964 174.900 -0.773 0.000 1.174 496 G CA 0.793 45.611 45.100 -0.471 0.000 0.780 496 G HN 0.458 nan 8.290 nan 0.000 0.537 497 G N 1.042 109.061 108.800 -1.301 0.000 2.446 497 G HA2 -0.184 3.780 3.960 0.008 0.000 0.217 497 G HA3 -0.184 3.780 3.960 0.008 0.000 0.217 497 G C 1.829 176.156 174.900 -0.956 0.000 1.168 497 G CA 0.872 44.662 45.100 -2.184 0.000 0.771 497 G HN 0.416 nan 8.290 nan 0.000 0.551 498 L N 0.735 121.614 121.223 -0.574 0.000 2.012 498 L HA -0.129 4.216 4.340 0.008 0.000 0.210 498 L C 3.235 179.933 176.870 -0.288 0.000 1.073 498 L CA 1.456 56.104 54.840 -0.320 0.000 0.748 498 L CB -0.547 41.405 42.059 -0.178 0.000 0.891 498 L HN 0.185 nan 8.230 nan 0.000 0.431 499 S N -0.091 115.419 115.700 -0.317 0.000 2.370 499 S HA -0.187 4.287 4.470 0.008 0.000 0.226 499 S C 1.974 176.411 174.600 -0.271 0.000 1.033 499 S CA 1.348 59.392 58.200 -0.260 0.000 1.011 499 S CB -0.307 62.719 63.200 -0.291 0.000 0.852 499 S HN 0.336 nan 8.310 nan 0.000 0.457 500 I N 1.323 121.657 120.570 -0.392 0.000 2.394 500 I HA -0.119 4.055 4.170 0.008 0.000 0.251 500 I C 2.275 178.312 176.117 -0.134 0.000 1.136 500 I CA 1.008 62.099 61.300 -0.349 0.000 1.425 500 I CB -0.529 37.160 38.000 -0.518 0.000 1.079 500 I HN 0.390 nan 8.210 nan 0.000 0.425 501 G N 0.660 109.356 108.800 -0.173 0.000 2.408 501 G HA2 -0.186 3.779 3.960 0.008 0.000 0.217 501 G HA3 -0.186 3.779 3.960 0.008 0.000 0.217 501 G C 1.563 176.416 174.900 -0.078 0.000 1.150 501 G CA 0.263 45.300 45.100 -0.105 0.000 0.776 501 G HN 0.376 nan 8.290 nan 0.000 0.542 502 L N 0.975 122.144 121.223 -0.091 0.000 2.551 502 L HA 0.084 4.428 4.340 0.008 0.000 0.228 502 L C 1.678 178.576 176.870 0.048 0.000 1.153 502 L CA 0.407 55.217 54.840 -0.050 0.000 0.851 502 L CB 0.298 42.312 42.059 -0.075 0.000 0.959 502 L HN 0.096 nan 8.230 nan 0.000 0.451 503 S N -0.708 115.016 115.700 0.041 0.000 2.602 503 S HA 0.366 4.840 4.470 0.008 0.000 0.240 503 S C 1.157 175.781 174.600 0.040 0.000 0.992 503 S CA 0.403 58.658 58.200 0.091 0.000 0.971 503 S CB 1.033 64.294 63.200 0.102 0.000 0.855 503 S HN 0.521 nan 8.310 nan 0.000 0.481 504 G N 1.218 110.005 108.800 -0.021 0.000 2.179 504 G HA2 -0.219 3.745 3.960 0.008 0.000 0.220 504 G HA3 -0.219 3.745 3.960 0.008 0.000 0.220 504 G C -0.151 174.608 174.900 -0.236 0.000 0.990 504 G CA -0.634 44.407 45.100 -0.099 0.000 0.646 504 G HN 0.459 nan 8.290 nan 0.000 0.517 505 F N 0.599 120.439 119.950 -0.185 0.000 2.420 505 F HA 0.572 5.104 4.527 0.008 0.000 0.342 505 F C 1.529 177.194 175.800 -0.226 0.000 1.113 505 F CA 0.060 57.942 58.000 -0.196 0.000 1.059 505 F CB 2.055 40.925 39.000 -0.215 0.000 1.128 505 F HN -0.001 nan 8.300 nan 0.000 0.475 506 G N 2.558 111.234 108.800 -0.208 0.000 2.744 506 G HA2 0.108 4.073 3.960 0.008 0.000 0.211 506 G HA3 0.108 4.073 3.960 0.008 0.000 0.211 506 G C -0.310 174.092 174.900 -0.830 0.000 1.146 506 G CA 0.314 45.042 45.100 -0.620 0.000 0.787 506 G HN 0.359 nan 8.290 nan 0.000 0.534 507 F N -1.403 118.624 119.950 0.128 0.000 2.561 507 F HA 0.621 5.153 4.527 0.008 0.000 0.313 507 F C -1.116 174.773 175.800 0.148 0.000 1.126 507 F CA -1.631 56.428 58.000 0.099 0.000 0.918 507 F CB 1.857 40.802 39.000 -0.091 0.000 1.199 507 F HN 0.035 nan 8.300 nan 0.000 0.444 508 W N 2.910 124.261 121.300 0.085 0.000 3.439 508 W HA 0.658 5.323 4.660 0.008 0.000 0.323 508 W C -1.371 175.162 176.519 0.023 0.000 1.174 508 W CA -0.654 56.698 57.345 0.012 0.000 1.224 508 W CB 1.987 31.460 29.460 0.022 0.000 1.348 508 W HN 0.526 nan 8.180 nan 0.000 0.498 509 S N 2.597 117.827 115.700 -0.783 0.000 2.759 509 S HA 0.867 5.341 4.470 0.008 0.000 0.310 509 S C -1.227 172.720 174.600 -1.088 0.000 1.123 509 S CA -0.311 57.419 58.200 -0.782 0.000 0.959 509 S CB 0.964 63.851 63.200 -0.522 0.000 1.172 509 S HN 0.690 nan 8.310 nan 0.000 0.539 510 H N -1.127 117.575 119.070 -0.615 0.000 3.042 510 H HA 0.479 5.040 4.556 0.007 0.000 0.346 510 H C -2.044 173.253 175.328 -0.052 0.000 1.294 510 H CA -1.017 54.865 56.048 -0.277 0.000 1.141 510 H CB -0.026 29.584 29.762 -0.252 0.000 1.872 510 H HN 0.283 nan 8.280 nan 0.000 0.541 511 D N 1.914 122.393 120.400 0.131 0.000 2.342 511 D HA 0.154 4.799 4.640 0.008 0.000 0.260 511 D C 0.235 176.303 176.300 -0.387 0.000 1.278 511 D CA 0.056 54.019 54.000 -0.062 0.000 0.910 511 D CB 0.375 41.228 40.800 0.087 0.000 1.079 511 D HN 0.409 nan 8.370 nan 0.000 0.496 512 I N 1.573 121.874 120.570 -0.448 0.000 2.668 512 I HA 0.116 4.291 4.170 0.008 0.000 0.285 512 I C 1.688 177.314 176.117 -0.819 0.000 1.168 512 I CA 0.555 61.439 61.300 -0.694 0.000 1.424 512 I CB 0.453 38.219 38.000 -0.390 0.000 1.377 512 I HN 0.656 nan 8.210 nan 0.000 0.560 513 G N 3.868 111.913 108.800 -1.259 0.000 2.194 513 G HA2 -0.030 3.935 3.960 0.008 0.000 0.236 513 G HA3 -0.030 3.935 3.960 0.008 0.000 0.236 513 G C 0.553 174.988 174.900 -0.775 0.000 0.987 513 G CA -0.137 44.559 45.100 -0.672 0.000 0.635 513 G HN 1.597 nan 8.290 nan 0.000 0.520 514 G N -1.732 106.247 108.800 -1.368 0.000 2.705 514 G HA2 0.193 4.158 3.960 0.008 0.000 0.686 514 G HA3 0.193 4.158 3.960 0.008 0.000 0.686 514 G C 0.176 174.940 174.900 -0.227 0.000 1.285 514 G CA 0.237 44.900 45.100 -0.727 0.000 0.800 514 G HN 1.559 nan 8.290 nan 0.000 0.611 515 F N 0.932 120.776 119.950 -0.176 0.000 2.123 515 F HA 0.375 4.908 4.527 0.010 0.000 0.289 515 F C 1.278 176.975 175.800 -0.171 0.000 1.099 515 F CA 1.284 59.198 58.000 -0.143 0.000 1.234 515 F CB 0.181 39.166 39.000 -0.025 0.000 1.034 515 F HN 0.483 nan 8.300 nan 0.000 0.479 516 E N 2.034 121.969 120.200 -0.443 0.000 2.266 516 E HA 0.245 4.599 4.350 0.008 0.000 0.277 516 E C -0.767 175.626 176.600 -0.345 0.000 1.018 516 E CA -0.239 55.773 56.400 -0.647 0.000 0.840 516 E CB 0.907 29.993 29.700 -1.024 0.000 1.082 516 E HN 0.512 nan 8.360 nan 0.000 0.395 517 N N 0.174 118.742 118.700 -0.221 0.000 5.617 517 N HA -0.125 4.620 4.740 0.008 0.000 0.380 517 N C -1.171 174.300 175.510 -0.064 0.000 1.335 517 N CA 0.384 53.400 53.050 -0.058 0.000 2.459 517 N CB -0.279 38.262 38.487 0.091 0.000 0.592 517 N HN 0.333 nan 8.380 nan 0.000 0.666 518 T N 1.036 115.573 114.554 -0.028 0.000 2.743 518 T HA 0.552 4.907 4.350 0.008 0.000 0.292 518 T C 0.301 175.044 174.700 0.071 0.000 0.972 518 T CA -0.201 61.893 62.100 -0.011 0.000 0.967 518 T CB 1.121 69.934 68.868 -0.093 0.000 0.926 518 T HN 0.621 nan 8.240 nan 0.000 0.459 519 A N 6.124 129.055 122.820 0.185 0.000 2.498 519 A HA 0.466 4.790 4.320 0.008 0.000 0.239 519 A C -2.044 175.637 177.584 0.162 0.000 1.068 519 A CA -1.043 51.097 52.037 0.172 0.000 0.766 519 A CB -0.373 18.742 19.000 0.191 0.000 1.003 519 A HN 0.483 nan 8.150 nan 0.000 0.497 520 P HA 0.195 nan 4.420 nan 0.000 0.269 520 P C 0.901 178.196 177.300 -0.009 0.000 1.215 520 P CA 0.524 63.605 63.100 -0.032 0.000 0.780 520 P CB 0.673 32.243 31.700 -0.215 0.000 0.898 521 A N 2.811 125.696 122.820 0.108 0.000 1.948 521 A HA -0.280 4.045 4.320 0.008 0.000 0.220 521 A C 1.957 179.562 177.584 0.034 0.000 1.177 521 A CA 2.443 54.547 52.037 0.112 0.000 0.636 521 A CB -1.941 17.108 19.000 0.082 0.000 0.815 521 A HN 0.840 nan 8.150 nan 0.000 0.449 522 H N -1.883 117.235 119.070 0.080 0.000 2.353 522 H HA -0.027 4.533 4.556 0.007 0.000 0.300 522 H C 1.660 177.194 175.328 0.344 0.000 1.090 522 H CA 1.446 57.602 56.048 0.181 0.000 1.327 522 H CB -0.853 29.171 29.762 0.438 0.000 1.383 522 H HN 0.110 nan 8.280 nan 0.000 0.508 523 V N 0.720 120.537 119.914 -0.162 0.000 2.295 523 V HA -0.291 3.833 4.120 0.008 0.000 0.246 523 V C 2.358 178.561 176.094 0.181 0.000 1.049 523 V CA 2.105 64.327 62.300 -0.130 0.000 1.024 523 V CB -0.935 30.610 31.823 -0.463 0.000 0.648 523 V HN 0.491 nan 8.190 nan 0.000 0.447 524 Y N 1.268 121.527 120.300 -0.069 0.000 2.114 524 Y HA -0.319 4.236 4.550 0.009 0.000 0.282 524 Y C 2.550 178.441 175.900 -0.015 0.000 1.165 524 Y CA 2.194 60.181 58.100 -0.188 0.000 1.148 524 Y CB -0.204 37.801 38.460 -0.760 0.000 0.972 524 Y HN 0.166 nan 8.280 nan 0.000 0.504 525 K N -0.414 120.085 120.400 0.166 0.000 2.026 525 K HA -0.186 4.139 4.320 0.008 0.000 0.208 525 K C 2.125 178.888 176.600 0.272 0.000 1.048 525 K CA 1.402 57.800 56.287 0.185 0.000 0.929 525 K CB -0.164 32.387 32.500 0.086 0.000 0.713 525 K HN 0.192 nan 8.250 nan 0.000 0.439 526 R N 0.353 121.092 120.500 0.398 0.000 2.091 526 R HA -0.159 4.186 4.340 0.008 0.000 0.238 526 R C 1.952 178.393 176.300 0.234 0.000 1.136 526 R CA 1.085 57.381 56.100 0.327 0.000 0.959 526 R CB -0.714 29.846 30.300 0.433 0.000 0.856 526 R HN 0.473 nan 8.270 nan 0.000 0.437 527 W N 0.875 122.229 121.300 0.090 0.000 2.436 527 W HA -0.117 4.547 4.660 0.007 0.000 0.284 527 W C 2.039 178.542 176.519 -0.027 0.000 1.225 527 W CA -0.027 57.387 57.345 0.114 0.000 1.271 527 W CB -0.590 28.910 29.460 0.067 0.000 1.114 527 W HN 0.051 nan 8.180 nan 0.000 0.559 528 C N 0.363 119.683 119.300 0.033 0.000 2.413 528 C HA -0.187 4.278 4.460 0.008 0.000 0.276 528 C C 3.083 178.021 174.990 -0.086 0.000 1.236 528 C CA 1.932 60.895 59.018 -0.092 0.000 1.735 528 C CB -1.551 26.104 27.740 -0.141 0.000 2.031 528 C HN 0.362 nan 8.230 nan 0.000 0.474 529 A N -0.286 122.384 122.820 -0.250 0.000 1.902 529 A HA -0.164 4.161 4.320 0.008 0.000 0.217 529 A C 1.941 179.417 177.584 -0.179 0.000 1.181 529 A CA 1.668 53.237 52.037 -0.781 0.000 0.623 529 A CB -0.787 17.649 19.000 -0.940 0.000 0.818 529 A HN 0.545 nan 8.150 nan 0.000 0.443 530 F N 1.427 121.331 119.950 -0.077 0.000 2.102 530 F HA -0.004 4.527 4.527 0.007 0.000 0.298 530 F C 2.233 178.217 175.800 0.307 0.000 1.105 530 F CA 1.309 59.382 58.000 0.122 0.000 1.239 530 F CB -1.031 38.001 39.000 0.053 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 G N 0.865 109.725 108.800 0.099 0.000 2.422 531 G HA2 -0.183 3.781 3.960 0.008 0.000 0.218 531 G HA3 -0.183 3.781 3.960 0.008 0.000 0.218 531 G C 1.532 176.406 174.900 -0.043 0.000 1.146 531 G CA 0.751 45.775 45.100 -0.128 0.000 0.769 531 G HN 0.358 nan 8.290 nan 0.000 0.547 532 L N 0.004 121.261 121.223 0.055 0.000 2.554 532 L HA 0.261 4.606 4.340 0.008 0.000 0.226 532 L C 1.365 178.357 176.870 0.204 0.000 1.137 532 L CA 0.553 55.477 54.840 0.140 0.000 0.863 532 L CB -0.052 42.139 42.059 0.220 0.000 0.985 532 L HN 0.152 nan 8.230 nan 0.000 0.451 533 L N -1.222 120.136 121.223 0.225 0.000 2.965 533 L HA 0.263 4.608 4.340 0.008 0.000 0.254 533 L C 0.696 177.807 176.870 0.402 0.000 1.220 533 L CA 0.296 55.329 54.840 0.323 0.000 1.023 533 L CB -0.174 42.088 42.059 0.338 0.000 1.355 533 L HN -0.004 nan 8.230 nan 0.000 0.545 534 S N -1.429 114.434 115.700 0.271 0.000 2.718 534 S HA 0.307 4.782 4.470 0.008 0.000 0.300 534 S C 1.323 176.067 174.600 0.239 0.000 1.117 534 S CA 0.120 58.475 58.200 0.259 0.000 1.002 534 S CB 1.940 65.234 63.200 0.157 0.000 1.092 534 S HN 0.367 nan 8.310 nan 0.000 0.542 535 S N 0.738 116.614 115.700 0.294 0.000 2.370 535 S HA -0.138 4.337 4.470 0.008 0.000 0.226 535 S C 0.186 174.828 174.600 0.069 0.000 1.033 535 S CA 1.272 59.688 58.200 0.361 0.000 1.011 535 S CB -0.451 63.090 63.200 0.568 0.000 0.852 535 S HN 0.755 nan 8.310 nan 0.000 0.457 536 H N -0.097 118.955 119.070 -0.029 0.000 2.600 536 H HA 0.699 5.259 4.556 0.008 0.000 0.357 536 H C -1.161 174.045 175.328 -0.204 0.000 1.106 536 H CA -0.467 55.480 56.048 -0.168 0.000 1.193 536 H CB 2.134 31.686 29.762 -0.350 0.000 1.594 536 H HN 0.147 nan 8.280 nan 0.000 0.526 537 S N 2.886 118.536 115.700 -0.083 0.000 2.733 537 S HA 0.458 4.933 4.470 0.008 0.000 0.307 537 S C -0.549 174.008 174.600 -0.071 0.000 1.127 537 S CA -0.819 57.326 58.200 -0.093 0.000 1.097 537 S CB 0.926 64.150 63.200 0.039 0.000 1.003 537 S HN 0.529 nan 8.310 nan 0.000 0.477 538 R N 3.043 123.422 120.500 -0.203 0.000 2.575 538 R HA 0.522 4.867 4.340 0.008 0.000 0.293 538 R C -1.672 174.523 176.300 -0.175 0.000 0.983 538 R CA -0.696 55.284 56.100 -0.200 0.000 0.887 538 R CB 0.917 30.938 30.300 -0.465 0.000 1.184 538 R HN 0.556 nan 8.270 nan 0.000 0.445 539 L N 4.676 125.849 121.223 -0.083 0.000 2.259 539 L HA 0.384 4.729 4.340 0.008 0.000 0.288 539 L C -0.659 176.221 176.870 0.016 0.000 1.051 539 L CA -0.432 54.374 54.840 -0.056 0.000 0.824 539 L CB 0.766 42.823 42.059 -0.003 0.000 1.206 539 L HN 0.603 nan 8.230 nan 0.000 0.429 540 H N 2.281 121.282 119.070 -0.115 0.000 2.894 540 H HA 0.776 5.337 4.556 0.009 0.000 0.367 540 H C -0.693 174.667 175.328 0.054 0.000 1.144 540 H CA -0.484 55.537 56.048 -0.046 0.000 1.180 540 H CB 2.127 31.808 29.762 -0.136 0.000 1.758 540 H HN 0.533 nan 8.280 nan 0.000 0.541 541 G N 1.204 109.720 108.800 -0.474 0.000 2.672 541 G HA2 0.368 4.333 3.960 0.008 0.000 0.292 541 G HA3 0.368 4.333 3.960 0.008 0.000 0.292 541 G C -0.171 174.433 174.900 -0.492 0.000 1.375 541 G CA -0.024 44.854 45.100 -0.370 0.000 0.890 541 G HN 0.622 nan 8.290 nan 0.000 0.476 542 S N -0.591 114.645 115.700 -0.773 0.000 2.327 542 S HA 0.058 4.533 4.470 0.008 0.000 0.213 542 S C 1.744 176.190 174.600 -0.257 0.000 1.032 542 S CA 1.339 59.107 58.200 -0.721 0.000 0.960 542 S CB -0.165 62.222 63.200 -1.355 0.000 0.900 542 S HN 0.493 nan 8.310 nan 0.000 0.469 543 K N 0.735 120.949 120.400 -0.310 0.000 2.402 543 K HA 0.269 4.594 4.320 0.008 0.000 0.203 543 K C 0.048 176.465 176.600 -0.305 0.000 1.077 543 K CA -0.041 56.096 56.287 -0.250 0.000 1.051 543 K CB 1.106 33.486 32.500 -0.200 0.000 0.907 543 K HN 0.389 nan 8.250 nan 0.000 0.554 544 S N -0.540 114.970 115.700 -0.316 0.000 2.671 544 S HA 0.491 4.965 4.470 0.008 0.000 0.299 544 S C -0.704 173.707 174.600 -0.315 0.000 1.116 544 S CA -0.968 57.013 58.200 -0.364 0.000 0.912 544 S CB 0.652 63.690 63.200 -0.271 0.000 1.130 544 S HN -0.024 nan 8.310 nan 0.000 0.501 545 Y N 0.412 120.642 120.300 -0.116 0.000 2.300 545 Y HA 0.517 5.071 4.550 0.008 0.000 0.328 545 Y C 1.672 177.467 175.900 -0.176 0.000 1.270 545 Y CA -0.955 57.068 58.100 -0.129 0.000 1.352 545 Y CB 0.649 38.992 38.460 -0.195 0.000 1.286 545 Y HN 0.537 nan 8.280 nan 0.000 0.536 546 R N 0.796 121.306 120.500 0.017 0.000 2.543 546 R HA 0.175 4.520 4.340 0.008 0.000 0.323 546 R C -0.743 175.517 176.300 -0.066 0.000 1.002 546 R CA -0.138 56.016 56.100 0.091 0.000 1.106 546 R CB -0.378 29.988 30.300 0.110 0.000 1.280 546 R HN 0.530 nan 8.270 nan 0.000 0.549 547 V N 0.586 120.212 119.914 -0.479 0.000 2.673 547 V HA 0.092 4.217 4.120 0.008 0.000 0.303 547 V C -1.192 174.545 176.094 -0.596 0.000 1.046 547 V CA -1.100 60.692 62.300 -0.848 0.000 1.126 547 V CB 0.590 31.233 31.823 -1.967 0.000 0.934 547 V HN -0.026 nan 8.190 nan 0.000 0.487 548 P HA -0.107 nan 4.420 nan 0.000 0.220 548 P C 1.287 178.584 177.300 -0.004 0.000 1.148 548 P CA 1.856 64.937 63.100 -0.032 0.000 0.803 548 P CB -0.150 31.692 31.700 0.238 0.000 0.782 549 W N -0.151 121.139 121.300 -0.017 0.000 2.825 549 W HA 0.398 5.062 4.660 0.007 0.000 0.243 549 W C 1.647 178.114 176.519 -0.085 0.000 1.293 549 W CA 0.457 57.779 57.345 -0.038 0.000 1.403 549 W CB -1.549 27.887 29.460 -0.040 0.000 1.134 549 W HN -0.121 nan 8.180 nan 0.000 0.666 550 A N -0.337 122.238 122.820 -0.408 0.000 2.168 550 A HA 0.012 4.337 4.320 0.008 0.000 0.215 550 A C 1.246 178.511 177.584 -0.531 0.000 1.152 550 A CA 1.003 52.771 52.037 -0.449 0.000 0.716 550 A CB -0.648 17.997 19.000 -0.592 0.000 0.794 550 A HN 0.495 nan 8.150 nan 0.000 0.465 551 Y N -0.082 120.030 120.300 -0.312 0.000 2.453 551 Y HA 0.283 4.839 4.550 0.009 0.000 0.273 551 Y C 0.653 176.472 175.900 -0.134 0.000 1.130 551 Y CA 0.352 58.279 58.100 -0.289 0.000 1.271 551 Y CB 0.318 38.458 38.460 -0.533 0.000 1.253 551 Y HN 0.492 nan 8.280 nan 0.000 0.512 552 D N -2.744 117.705 120.400 0.080 0.000 2.779 552 D HA 0.066 4.711 4.640 0.008 0.000 0.331 552 D C -0.268 176.090 176.300 0.096 0.000 1.331 552 D CA -0.369 53.673 54.000 0.070 0.000 0.866 552 D CB 0.149 40.981 40.800 0.052 0.000 1.409 552 D HN -0.067 nan 8.370 nan 0.000 0.486 553 D N -0.106 120.347 120.400 0.088 0.000 2.117 553 D HA -0.140 4.505 4.640 0.008 0.000 0.198 553 D C 1.397 177.761 176.300 0.105 0.000 0.982 553 D CA 1.166 55.225 54.000 0.098 0.000 0.828 553 D CB 0.173 41.018 40.800 0.075 0.000 0.967 553 D HN 0.642 nan 8.370 nan 0.000 0.464 554 E N 0.794 121.046 120.200 0.086 0.000 2.118 554 E HA -0.145 4.210 4.350 0.008 0.000 0.195 554 E C 1.955 178.629 176.600 0.123 0.000 0.992 554 E CA 0.910 57.365 56.400 0.093 0.000 0.804 554 E CB 0.187 29.921 29.700 0.056 0.000 0.741 554 E HN -0.002 nan 8.360 nan 0.000 0.458 555 S N -0.072 115.702 115.700 0.124 0.000 2.383 555 S HA -0.209 4.266 4.470 0.008 0.000 0.229 555 S C 2.078 176.830 174.600 0.252 0.000 1.030 555 S CA 1.122 59.449 58.200 0.210 0.000 1.002 555 S CB -0.404 62.901 63.200 0.176 0.000 0.829 555 S HN 0.469 nan 8.310 nan 0.000 0.467 556 C N 2.031 121.461 119.300 0.217 0.000 2.413 556 C HA -0.094 4.371 4.460 0.008 0.000 0.276 556 C C 2.447 177.556 174.990 0.198 0.000 1.248 556 C CA 0.475 59.627 59.018 0.224 0.000 1.742 556 C CB -1.214 26.649 27.740 0.205 0.000 2.017 556 C HN 0.584 nan 8.230 nan 0.000 0.481 557 D N 0.513 121.017 120.400 0.174 0.000 2.144 557 D HA -0.088 4.556 4.640 0.008 0.000 0.200 557 D C 2.180 178.606 176.300 0.210 0.000 0.978 557 D CA 1.016 55.115 54.000 0.164 0.000 0.833 557 D CB -0.393 40.486 40.800 0.131 0.000 0.961 557 D HN 0.318 nan 8.370 nan 0.000 0.470 558 V N 1.053 121.118 119.914 0.252 0.000 2.295 558 V HA -0.205 3.920 4.120 0.008 0.000 0.246 558 V C 2.718 179.078 176.094 0.443 0.000 1.049 558 V CA 1.089 63.612 62.300 0.373 0.000 1.024 558 V CB -0.430 31.624 31.823 0.384 0.000 0.648 558 V HN 0.045 nan 8.190 nan 0.000 0.447 559 V N -0.395 119.717 119.914 0.331 0.000 2.358 559 V HA -0.258 3.867 4.120 0.008 0.000 0.246 559 V C 2.546 178.791 176.094 0.252 0.000 1.047 559 V CA 2.315 64.788 62.300 0.288 0.000 1.035 559 V CB -0.727 31.241 31.823 0.242 0.000 0.658 559 V HN 0.443 nan 8.190 nan 0.000 0.452 560 R N -0.733 119.893 120.500 0.210 0.000 2.083 560 R HA -0.209 4.136 4.340 0.008 0.000 0.237 560 R C 2.215 178.579 176.300 0.107 0.000 1.137 560 R CA 2.214 58.400 56.100 0.143 0.000 0.951 560 R CB -0.461 29.911 30.300 0.120 0.000 0.851 560 R HN 0.499 nan 8.270 nan 0.000 0.434 561 F N -0.202 119.715 119.950 -0.056 0.000 2.134 561 F HA -0.139 4.393 4.527 0.008 0.000 0.299 561 F C 1.410 176.995 175.800 -0.358 0.000 1.097 561 F CA 1.451 59.287 58.000 -0.273 0.000 1.264 561 F CB -0.178 38.564 39.000 -0.430 0.000 1.001 561 F HN -0.032 nan 8.300 nan 0.000 0.479 562 F N -0.018 120.064 119.950 0.220 0.000 2.416 562 F HA -0.041 4.490 4.527 0.007 0.000 0.296 562 F C 2.441 178.265 175.800 0.041 0.000 1.099 562 F CA 1.370 59.443 58.000 0.122 0.000 1.427 562 F CB -1.225 37.916 39.000 0.235 0.000 1.079 562 F HN -0.165 nan 8.300 nan 0.000 0.536 563 T N -0.433 114.249 114.554 0.213 0.000 2.708 563 T HA -0.220 4.134 4.350 0.008 0.000 0.266 563 T C 1.926 176.675 174.700 0.082 0.000 1.037 563 T CA 1.485 63.690 62.100 0.175 0.000 1.146 563 T CB -0.345 68.636 68.868 0.188 0.000 0.865 563 T HN 0.289 nan 8.240 nan 0.000 0.435 564 Q N 0.204 119.983 119.800 -0.036 0.000 2.061 564 Q HA -0.084 4.261 4.340 0.008 0.000 0.204 564 Q C 2.378 178.269 176.000 -0.181 0.000 0.984 564 Q CA 1.198 56.927 55.803 -0.124 0.000 0.846 564 Q CB -0.405 28.200 28.738 -0.222 0.000 0.902 564 Q HN 0.322 nan 8.270 nan 0.000 0.421 565 L N 1.303 122.335 121.223 -0.319 0.000 2.012 565 L HA -0.228 4.117 4.340 0.008 0.000 0.210 565 L C 2.241 179.085 176.870 -0.044 0.000 1.073 565 L CA 1.916 56.583 54.840 -0.287 0.000 0.748 565 L CB -0.372 41.436 42.059 -0.419 0.000 0.891 565 L HN 0.038 nan 8.230 nan 0.000 0.431 566 K N -1.267 119.167 120.400 0.058 0.000 2.026 566 K HA -0.205 4.119 4.320 0.008 0.000 0.208 566 K C 2.156 178.824 176.600 0.114 0.000 1.048 566 K CA 1.909 58.271 56.287 0.126 0.000 0.929 566 K CB -0.387 32.218 32.500 0.175 0.000 0.713 566 K HN 0.521 nan 8.250 nan 0.000 0.439 567 C N 0.604 119.970 119.300 0.110 0.000 2.413 567 C HA -0.046 4.419 4.460 0.008 0.000 0.276 567 C C 2.576 177.695 174.990 0.215 0.000 1.248 567 C CA 0.667 59.783 59.018 0.163 0.000 1.742 567 C CB -0.859 26.951 27.740 0.117 0.000 2.017 567 C HN 0.484 nan 8.230 nan 0.000 0.481 568 R N 0.036 120.594 120.500 0.097 0.000 2.148 568 R HA 0.020 4.365 4.340 0.008 0.000 0.223 568 R C 2.000 178.356 176.300 0.094 0.000 1.088 568 R CA 1.004 57.162 56.100 0.097 0.000 0.985 568 R CB -0.256 30.036 30.300 -0.014 0.000 0.880 568 R HN 0.587 nan 8.270 nan 0.000 0.451 569 M N -0.104 119.537 119.600 0.070 0.000 2.562 569 M HA -0.017 4.468 4.480 0.008 0.000 0.257 569 M C 1.727 178.037 176.300 0.017 0.000 1.099 569 M CA 0.631 55.977 55.300 0.076 0.000 1.099 569 M CB 0.058 32.734 32.600 0.126 0.000 1.427 569 M HN 0.057 nan 8.290 nan 0.000 0.489 570 M N 0.119 119.681 119.600 -0.063 0.000 2.144 570 M HA -0.114 4.370 4.480 0.008 0.000 0.260 570 M C -0.692 175.102 176.300 -0.843 0.000 1.067 570 M CA 1.852 56.929 55.300 -0.372 0.000 1.095 570 M CB -2.212 30.221 32.600 -0.279 0.000 1.365 570 M HN 0.009 nan 8.290 nan 0.000 0.406 571 P HA -0.193 nan 4.420 nan 0.000 0.215 571 P C 1.583 178.692 177.300 -0.318 0.000 1.157 571 P CA 1.269 63.980 63.100 -0.648 0.000 0.868 571 P CB -0.363 31.195 31.700 -0.237 0.000 0.788 572 Y N 0.280 120.428 120.300 -0.255 0.000 2.089 572 Y HA -0.194 4.361 4.550 0.008 0.000 0.282 572 Y C 2.029 177.829 175.900 -0.166 0.000 1.139 572 Y CA 1.423 59.435 58.100 -0.146 0.000 1.123 572 Y CB -1.259 37.156 38.460 -0.075 0.000 0.980 572 Y HN -0.263 nan 8.280 nan 0.000 0.493 573 L N -0.397 120.625 121.223 -0.335 0.000 2.013 573 L HA -0.281 4.064 4.340 0.008 0.000 0.212 573 L C 2.340 178.948 176.870 -0.436 0.000 1.073 573 L CA 1.971 56.577 54.840 -0.390 0.000 0.753 573 L CB -1.834 40.125 42.059 -0.167 0.000 0.890 573 L HN 0.423 nan 8.230 nan 0.000 0.432 574 Y N -0.113 119.774 120.300 -0.688 0.000 2.314 574 Y HA -0.216 4.338 4.550 0.008 0.000 0.293 574 Y C 2.768 178.422 175.900 -0.410 0.000 1.129 574 Y CA 1.386 59.072 58.100 -0.690 0.000 1.201 574 Y CB -0.095 37.791 38.460 -0.957 0.000 0.999 574 Y HN 0.099 nan 8.280 nan 0.000 0.541 575 R N 0.877 121.190 120.500 -0.312 0.000 2.096 575 R HA -0.136 4.209 4.340 0.008 0.000 0.235 575 R C 1.827 177.971 176.300 -0.260 0.000 1.127 575 R CA 1.949 57.910 56.100 -0.231 0.000 0.968 575 R CB -0.397 29.809 30.300 -0.157 0.000 0.861 575 R HN 0.223 nan 8.270 nan 0.000 0.440 576 E N 0.024 120.013 120.200 -0.350 0.000 2.152 576 E HA -0.049 4.305 4.350 0.008 0.000 0.192 576 E C 1.867 178.358 176.600 -0.181 0.000 0.983 576 E CA 1.170 57.396 56.400 -0.290 0.000 0.818 576 E CB -0.326 29.128 29.700 -0.410 0.000 0.758 576 E HN 0.454 nan 8.360 nan 0.000 0.467 577 A N 1.649 124.366 122.820 -0.172 0.000 1.902 577 A HA -0.083 4.242 4.320 0.008 0.000 0.217 577 A C 2.429 179.989 177.584 -0.040 0.000 1.181 577 A CA 1.922 53.980 52.037 0.034 0.000 0.623 577 A CB -0.547 18.430 19.000 -0.037 0.000 0.818 577 A HN 0.258 nan 8.150 nan 0.000 0.443 578 A N -0.635 122.047 122.820 -0.230 0.000 1.972 578 A HA -0.163 4.162 4.320 0.008 0.000 0.219 578 A C 2.225 179.758 177.584 -0.085 0.000 1.169 578 A CA 1.607 53.556 52.037 -0.148 0.000 0.635 578 A CB -0.472 18.440 19.000 -0.147 0.000 0.810 578 A HN 0.536 nan 8.150 nan 0.000 0.446 579 R N -0.633 119.805 120.500 -0.103 0.000 2.092 579 R HA -0.077 4.268 4.340 0.008 0.000 0.231 579 R C 2.376 178.616 176.300 -0.101 0.000 1.119 579 R CA 1.174 57.217 56.100 -0.095 0.000 0.970 579 R CB -0.330 29.905 30.300 -0.108 0.000 0.864 579 R HN 0.489 nan 8.270 nan 0.000 0.440 580 A N 1.219 123.967 122.820 -0.121 0.000 1.902 580 A HA -0.223 4.101 4.320 0.008 0.000 0.217 580 A C 1.934 179.460 177.584 -0.096 0.000 1.181 580 A CA 1.658 53.584 52.037 -0.186 0.000 0.623 580 A CB -0.849 17.879 19.000 -0.453 0.000 0.818 580 A HN 0.512 nan 8.150 nan 0.000 0.443 581 N N 0.221 118.922 118.700 0.001 0.000 2.142 581 N HA -0.119 4.626 4.740 0.008 0.000 0.186 581 N C 1.870 177.356 175.510 -0.041 0.000 1.023 581 N CA 1.501 54.557 53.050 0.012 0.000 0.852 581 N CB -0.186 38.330 38.487 0.049 0.000 0.998 581 N HN 0.370 nan 8.380 nan 0.000 0.424 582 A N 0.569 123.359 122.820 -0.049 0.000 1.930 582 A HA 0.084 4.409 4.320 0.008 0.000 0.215 582 A C 2.061 179.605 177.584 -0.067 0.000 1.176 582 A CA 0.732 52.737 52.037 -0.053 0.000 0.632 582 A CB 0.048 19.020 19.000 -0.047 0.000 0.819 582 A HN 0.304 nan 8.150 nan 0.000 0.445 583 R N -2.616 117.836 120.500 -0.079 0.000 2.521 583 R HA 0.244 4.589 4.340 0.008 0.000 0.289 583 R C 0.910 177.152 176.300 -0.098 0.000 0.936 583 R CA 0.548 56.599 56.100 -0.082 0.000 1.089 583 R CB 0.702 30.958 30.300 -0.073 0.000 1.348 583 R HN 0.652 nan 8.270 nan 0.000 0.536 584 G N 1.818 110.546 108.800 -0.120 0.000 2.147 584 G HA2 -0.252 3.713 3.960 0.008 0.000 0.244 584 G HA3 -0.252 3.713 3.960 0.008 0.000 0.244 584 G C 0.047 174.860 174.900 -0.144 0.000 1.005 584 G CA 0.475 45.487 45.100 -0.146 0.000 0.713 584 G HN 0.229 nan 8.290 nan 0.000 0.515 585 T N 3.637 118.107 114.554 -0.139 0.000 2.727 585 T HA 0.489 4.844 4.350 0.008 0.000 0.295 585 T C -1.607 172.988 174.700 -0.175 0.000 0.915 585 T CA -0.531 61.489 62.100 -0.133 0.000 1.066 585 T CB 1.946 70.748 68.868 -0.110 0.000 0.891 585 T HN 0.293 nan 8.240 nan 0.000 0.516 586 P HA 0.162 nan 4.420 nan 0.000 0.272 586 P C 0.860 178.064 177.300 -0.159 0.000 1.230 586 P CA -0.375 62.594 63.100 -0.218 0.000 0.788 586 P CB 0.855 32.465 31.700 -0.150 0.000 0.949 587 M N 0.640 120.138 119.600 -0.171 0.000 2.117 587 M HA -0.064 4.421 4.480 0.008 0.000 0.262 587 M C 1.447 177.794 176.300 0.077 0.000 1.065 587 M CA 1.831 57.120 55.300 -0.019 0.000 1.114 587 M CB -0.117 32.537 32.600 0.090 0.000 1.361 587 M HN 0.377 nan 8.290 nan 0.000 0.408 588 M N 1.340 120.976 119.600 0.060 0.000 2.069 588 M HA 0.263 4.748 4.480 0.008 0.000 0.349 588 M C -1.058 175.253 176.300 0.018 0.000 1.194 588 M CA -0.079 55.261 55.300 0.067 0.000 1.081 588 M CB 0.423 32.981 32.600 -0.071 0.000 1.500 588 M HN -0.001 nan 8.290 nan 0.000 0.438 589 R N 3.846 124.411 120.500 0.108 0.000 2.445 589 R HA 0.673 5.017 4.340 0.008 0.000 0.308 589 R C -0.205 176.147 176.300 0.087 0.000 0.961 589 R CA -0.705 55.424 56.100 0.048 0.000 0.862 589 R CB 1.491 31.813 30.300 0.037 0.000 1.144 589 R HN 0.800 nan 8.270 nan 0.000 0.447 590 A N 3.519 126.338 122.820 -0.001 0.000 2.520 590 A HA 0.004 4.329 4.320 0.008 0.000 0.235 590 A C 1.279 178.885 177.584 0.036 0.000 1.065 590 A CA -0.124 51.913 52.037 0.001 0.000 0.764 590 A CB 0.166 19.099 19.000 -0.111 0.000 1.002 590 A HN 0.787 nan 8.150 nan 0.000 0.502 591 M N 1.734 121.383 119.600 0.083 0.000 2.202 591 M HA -0.204 4.281 4.480 0.008 0.000 0.262 591 M C 2.014 178.396 176.300 0.136 0.000 1.063 591 M CA 2.297 57.696 55.300 0.165 0.000 1.097 591 M CB -1.449 31.224 32.600 0.121 0.000 1.382 591 M HN 0.999 nan 8.290 nan 0.000 0.413 592 M N -1.342 118.239 119.600 -0.032 0.000 2.296 592 M HA -0.114 4.371 4.480 0.008 0.000 0.265 592 M C 2.099 178.316 176.300 -0.138 0.000 1.064 592 M CA 1.733 56.960 55.300 -0.120 0.000 1.109 592 M CB -0.761 31.627 32.600 -0.354 0.000 1.396 592 M HN 0.186 nan 8.290 nan 0.000 0.430 593 M N -0.139 119.370 119.600 -0.151 0.000 2.132 593 M HA -0.137 4.348 4.480 0.008 0.000 0.263 593 M C 1.916 178.136 176.300 -0.133 0.000 1.065 593 M CA 1.933 57.142 55.300 -0.150 0.000 1.122 593 M CB -0.040 32.477 32.600 -0.138 0.000 1.365 593 M HN 0.429 nan 8.290 nan 0.000 0.411 594 E N -0.225 119.901 120.200 -0.123 0.000 2.230 594 E HA -0.007 4.348 4.350 0.008 0.000 0.192 594 E C -0.326 175.873 176.600 -0.668 0.000 0.987 594 E CA 0.952 57.140 56.400 -0.353 0.000 0.841 594 E CB 0.201 29.720 29.700 -0.301 0.000 0.783 594 E HN 0.483 nan 8.360 nan 0.000 0.481 595 F N 0.421 120.383 119.950 0.020 0.000 2.523 595 F HA 0.317 4.849 4.527 0.008 0.000 0.322 595 F C -1.766 174.034 175.800 -0.000 0.000 1.361 595 F CA -1.768 56.255 58.000 0.038 0.000 1.151 595 F CB 1.631 40.685 39.000 0.091 0.000 1.391 595 F HN -0.021 nan 8.300 nan 0.000 0.566 596 P HA -0.092 nan 4.420 nan 0.000 0.226 596 P C 0.404 177.727 177.300 0.038 0.000 1.153 596 P CA 1.246 64.351 63.100 0.009 0.000 0.777 596 P CB 0.416 32.095 31.700 -0.035 0.000 0.794 597 D N -0.628 119.817 120.400 0.075 0.000 2.339 597 D HA 0.011 4.656 4.640 0.008 0.000 0.217 597 D C 0.163 176.516 176.300 0.087 0.000 1.050 597 D CA 0.502 54.545 54.000 0.072 0.000 0.856 597 D CB 0.005 40.848 40.800 0.073 0.000 0.922 597 D HN 0.156 nan 8.370 nan 0.000 0.518 598 D N 1.324 121.791 120.400 0.111 0.000 2.412 598 D HA 0.103 4.748 4.640 0.008 0.000 0.224 598 D C -1.489 174.824 176.300 0.021 0.000 1.093 598 D CA -2.187 51.868 54.000 0.092 0.000 0.850 598 D CB 2.038 42.929 40.800 0.152 0.000 1.046 598 D HN -0.108 nan 8.370 nan 0.000 0.507 599 P HA -0.089 nan 4.420 nan 0.000 0.222 599 P C 0.915 178.185 177.300 -0.051 0.000 1.147 599 P CA 0.481 63.579 63.100 -0.004 0.000 0.790 599 P CB 0.273 31.983 31.700 0.016 0.000 0.780 600 A N -0.806 121.915 122.820 -0.165 0.000 2.119 600 A HA -0.065 4.259 4.320 0.008 0.000 0.217 600 A C 2.135 179.459 177.584 -0.433 0.000 1.153 600 A CA 0.966 52.772 52.037 -0.386 0.000 0.692 600 A CB -1.397 17.079 19.000 -0.873 0.000 0.799 600 A HN 0.261 nan 8.150 nan 0.000 0.458 601 C N -0.379 118.762 119.300 -0.265 0.000 2.696 601 C HA 0.063 4.528 4.460 0.008 0.000 0.264 601 C C 1.835 176.800 174.990 -0.041 0.000 1.288 601 C CA -0.073 58.861 59.018 -0.140 0.000 1.717 601 C CB -0.869 26.861 27.740 -0.017 0.000 1.893 601 C HN 0.560 nan 8.230 nan 0.000 0.577 602 D N 1.207 121.582 120.400 -0.041 0.000 2.157 602 D HA -0.180 4.465 4.640 0.008 0.000 0.191 602 D C 1.042 177.228 176.300 -0.190 0.000 1.004 602 D CA 1.869 55.795 54.000 -0.122 0.000 0.854 602 D CB -0.244 40.411 40.800 -0.241 0.000 0.936 602 D HN 0.605 nan 8.370 nan 0.000 0.446 603 Y N -0.318 120.022 120.300 0.066 0.000 2.507 603 Y HA 0.296 4.851 4.550 0.008 0.000 0.254 603 Y C 0.455 176.399 175.900 0.073 0.000 1.171 603 Y CA -0.439 57.700 58.100 0.066 0.000 1.238 603 Y CB 0.153 38.629 38.460 0.026 0.000 1.148 603 Y HN -0.185 nan 8.280 nan 0.000 0.525 604 L N 2.897 124.221 121.223 0.167 0.000 2.477 604 L HA 0.031 4.375 4.340 0.008 0.000 0.272 604 L C 0.423 177.362 176.870 0.115 0.000 1.157 604 L CA 0.440 55.358 54.840 0.130 0.000 0.889 604 L CB 0.455 42.539 42.059 0.042 0.000 1.158 604 L HN 0.354 nan 8.230 nan 0.000 0.473 605 D N 1.670 122.138 120.400 0.113 0.000 2.516 605 D HA -0.001 4.644 4.640 0.008 0.000 0.241 605 D C 1.125 177.462 176.300 0.062 0.000 1.246 605 D CA -0.194 53.851 54.000 0.076 0.000 0.808 605 D CB 0.329 41.160 40.800 0.052 0.000 1.147 605 D HN 0.392 nan 8.370 nan 0.000 0.527 606 R N 0.423 120.979 120.500 0.093 0.000 2.432 606 R HA 0.219 4.564 4.340 0.008 0.000 0.260 606 R C 0.260 176.689 176.300 0.216 0.000 0.935 606 R CA 0.094 56.269 56.100 0.124 0.000 1.080 606 R CB 0.593 30.943 30.300 0.082 0.000 1.155 606 R HN 0.394 nan 8.270 nan 0.000 0.531 607 Q N -0.328 119.578 119.800 0.177 0.000 2.590 607 Q HA 0.427 4.772 4.340 0.008 0.000 0.295 607 Q C -1.408 174.727 176.000 0.224 0.000 0.973 607 Q CA -1.203 54.668 55.803 0.113 0.000 0.768 607 Q CB 1.595 30.335 28.738 0.002 0.000 1.479 607 Q HN 0.070 nan 8.270 nan 0.000 0.419 608 Y N -2.046 118.281 120.300 0.044 0.000 2.689 608 Y HA 0.672 5.227 4.550 0.007 0.000 0.333 608 Y C -1.390 174.569 175.900 0.097 0.000 1.208 608 Y CA -1.650 56.494 58.100 0.072 0.000 1.055 608 Y CB 1.274 39.792 38.460 0.095 0.000 1.304 608 Y HN 0.499 nan 8.280 nan 0.000 0.455 609 M N 2.962 122.737 119.600 0.292 0.000 2.157 609 M HA 0.320 4.805 4.480 0.008 0.000 0.354 609 M C -1.156 175.359 176.300 0.358 0.000 1.170 609 M CA -0.616 54.832 55.300 0.248 0.000 1.060 609 M CB 1.297 34.046 32.600 0.248 0.000 1.615 609 M HN 0.736 nan 8.290 nan 0.000 0.460 610 L N 4.121 125.532 121.223 0.314 0.000 2.288 610 L HA 0.605 4.950 4.340 0.008 0.000 0.283 610 L C 0.536 177.588 176.870 0.303 0.000 1.072 610 L CA 0.787 55.845 54.840 0.363 0.000 0.862 610 L CB -0.153 42.138 42.059 0.387 0.000 1.245 610 L HN 0.969 nan 8.230 nan 0.000 0.432 611 G N 3.805 112.713 108.800 0.180 0.000 2.750 611 G HA2 -0.286 3.679 3.960 0.008 0.000 0.228 611 G HA3 -0.286 3.679 3.960 0.008 0.000 0.228 611 G C 0.373 175.370 174.900 0.161 0.000 1.367 611 G CA -0.012 45.139 45.100 0.085 0.000 0.871 611 G HN 0.518 nan 8.290 nan 0.000 0.560 612 D N 0.384 120.864 120.400 0.133 0.000 2.178 612 D HA -0.056 4.589 4.640 0.008 0.000 0.201 612 D C 2.091 178.477 176.300 0.142 0.000 0.980 612 D CA 1.660 55.719 54.000 0.098 0.000 0.842 612 D CB 0.007 40.846 40.800 0.066 0.000 0.948 612 D HN 0.379 nan 8.370 nan 0.000 0.472 613 N N -0.504 118.332 118.700 0.227 0.000 2.227 613 N HA 0.030 4.775 4.740 0.008 0.000 0.196 613 N C -0.002 175.543 175.510 0.058 0.000 1.142 613 N CA 0.015 53.109 53.050 0.073 0.000 0.887 613 N CB 2.078 40.544 38.487 -0.034 0.000 1.022 613 N HN 0.052 nan 8.380 nan 0.000 0.500 614 V N 1.808 121.810 119.914 0.147 0.000 2.487 614 V HA 0.490 4.615 4.120 0.008 0.000 0.298 614 V C -0.749 175.429 176.094 0.139 0.000 1.028 614 V CA -0.755 61.609 62.300 0.107 0.000 0.860 614 V CB 2.059 33.849 31.823 -0.054 0.000 0.991 614 V HN -0.059 nan 8.190 nan 0.000 0.427 615 M N 7.735 127.401 119.600 0.109 0.000 2.113 615 M HA 0.480 4.964 4.480 0.008 0.000 0.352 615 M C -1.031 175.110 176.300 -0.264 0.000 1.170 615 M CA -0.132 55.116 55.300 -0.088 0.000 1.053 615 M CB 1.042 33.480 32.600 -0.270 0.000 1.601 615 M HN 0.794 nan 8.290 nan 0.000 0.459 616 V N 5.115 124.761 119.914 -0.446 0.000 2.581 616 V HA 0.931 5.056 4.120 0.008 0.000 0.303 616 V C -0.983 174.780 176.094 -0.550 0.000 1.041 616 V CA -0.369 61.614 62.300 -0.528 0.000 0.907 616 V CB 1.615 33.179 31.823 -0.431 0.000 0.994 616 V HN 0.955 nan 8.190 nan 0.000 0.442 617 A N 7.065 129.649 122.820 -0.393 0.000 2.545 617 A HA 0.837 5.162 4.320 0.008 0.000 0.300 617 A C -2.855 174.603 177.584 -0.210 0.000 1.252 617 A CA -1.651 50.237 52.037 -0.249 0.000 0.753 617 A CB 0.935 19.789 19.000 -0.243 0.000 1.144 617 A HN 0.748 nan 8.150 nan 0.000 0.457 618 P HA 0.215 nan 4.420 nan 0.000 0.270 618 P C -0.367 176.643 177.300 -0.484 0.000 1.223 618 P CA -0.031 62.819 63.100 -0.416 0.000 0.785 618 P CB 0.816 32.039 31.700 -0.795 0.000 0.923 619 V N 3.102 122.739 119.914 -0.461 0.000 2.370 619 V HA 0.227 4.352 4.120 0.008 0.000 0.283 619 V C 0.220 176.049 176.094 -0.442 0.000 1.023 619 V CA 0.119 62.250 62.300 -0.282 0.000 0.857 619 V CB 0.384 32.136 31.823 -0.120 0.000 0.985 619 V HN 0.455 nan 8.190 nan 0.000 0.443 620 F N 2.366 122.165 119.950 -0.251 0.000 2.639 620 F HA 0.223 4.754 4.527 0.007 0.000 0.300 620 F C 1.198 176.357 175.800 -1.068 0.000 1.109 620 F CA -0.239 57.439 58.000 -0.538 0.000 1.335 620 F CB 0.491 39.337 39.000 -0.257 0.000 1.014 620 F HN 0.538 nan 8.300 nan 0.000 0.537 621 T N -4.144 110.060 114.554 -0.584 0.000 2.893 621 T HA 0.262 4.616 4.350 0.008 0.000 0.291 621 T C 0.824 175.461 174.700 -0.105 0.000 1.028 621 T CA -0.711 61.153 62.100 -0.394 0.000 0.995 621 T CB 2.408 71.205 68.868 -0.119 0.000 1.051 621 T HN 0.221 nan 8.240 nan 0.000 0.470 622 E N 1.470 121.756 120.200 0.144 0.000 2.051 622 E HA -0.147 4.208 4.350 0.008 0.000 0.192 622 E C 2.197 178.830 176.600 0.055 0.000 0.991 622 E CA 1.321 57.846 56.400 0.208 0.000 0.799 622 E CB -0.460 29.101 29.700 -0.230 0.000 0.748 622 E HN 0.822 nan 8.360 nan 0.000 0.449 623 A N -0.065 122.753 122.820 -0.003 0.000 2.070 623 A HA 0.032 4.357 4.320 0.008 0.000 0.220 623 A C 1.942 179.478 177.584 -0.079 0.000 1.159 623 A CA 1.598 53.614 52.037 -0.035 0.000 0.656 623 A CB -0.593 18.399 19.000 -0.012 0.000 0.800 623 A HN 0.615 nan 8.150 nan 0.000 0.453 624 G N -1.154 107.602 108.800 -0.073 0.000 2.179 624 G HA2 -0.170 3.795 3.960 0.008 0.000 0.220 624 G HA3 -0.170 3.795 3.960 0.008 0.000 0.220 624 G C -0.329 174.591 174.900 0.033 0.000 0.990 624 G CA 0.080 45.145 45.100 -0.058 0.000 0.646 624 G HN 0.513 nan 8.290 nan 0.000 0.517 625 D N 0.201 120.614 120.400 0.023 0.000 2.455 625 D HA 0.399 5.043 4.640 0.008 0.000 0.241 625 D C -0.005 176.353 176.300 0.096 0.000 1.138 625 D CA 0.941 54.977 54.000 0.060 0.000 0.877 625 D CB 2.382 43.200 40.800 0.030 0.000 1.187 625 D HN 0.468 nan 8.370 nan 0.000 0.451 626 V N 1.929 121.942 119.914 0.165 0.000 2.924 626 V HA 0.177 4.302 4.120 0.008 0.000 0.300 626 V C -1.658 174.608 176.094 0.286 0.000 1.227 626 V CA -0.599 61.837 62.300 0.226 0.000 0.954 626 V CB 2.235 34.199 31.823 0.236 0.000 1.055 626 V HN 0.470 nan 8.190 nan 0.000 0.429 627 Q N 5.587 125.567 119.800 0.301 0.000 2.337 627 Q HA 0.774 5.118 4.340 0.008 0.000 0.266 627 Q C -1.431 174.885 176.000 0.527 0.000 1.023 627 Q CA -0.497 55.507 55.803 0.336 0.000 0.829 627 Q CB 2.664 31.549 28.738 0.245 0.000 1.306 627 Q HN 0.742 nan 8.270 nan 0.000 0.449 628 F N -1.050 119.088 119.950 0.313 0.000 2.641 628 F HA 0.522 5.053 4.527 0.007 0.000 0.308 628 F C -1.832 173.681 175.800 -0.478 0.000 1.105 628 F CA -1.424 56.518 58.000 -0.097 0.000 0.964 628 F CB 0.909 39.837 39.000 -0.120 0.000 1.294 628 F HN 0.480 nan 8.300 nan 0.000 0.442 629 Y N 3.139 122.833 120.300 -1.010 0.000 2.323 629 Y HA 0.728 5.283 4.550 0.008 0.000 0.331 629 Y C -1.626 173.900 175.900 -0.623 0.000 1.092 629 Y CA -1.080 56.337 58.100 -1.140 0.000 1.150 629 Y CB 1.355 38.919 38.460 -1.493 0.000 1.200 629 Y HN 0.736 nan 8.280 nan 0.000 0.472 630 L N 9.255 129.667 121.223 -1.352 0.000 2.319 630 L HA 0.538 4.882 4.340 0.008 0.000 0.281 630 L C -2.315 173.718 176.870 -1.394 0.000 1.005 630 L CA -2.876 51.223 54.840 -1.236 0.000 0.828 630 L CB 1.259 42.751 42.059 -0.944 0.000 1.227 630 L HN 0.605 nan 8.230 nan 0.000 0.415 631 P HA -0.021 nan 4.420 nan 0.000 0.270 631 P C -0.500 176.761 177.300 -0.065 0.000 1.227 631 P CA -0.357 62.461 63.100 -0.470 0.000 0.788 631 P CB 0.434 31.576 31.700 -0.930 0.000 0.926 632 E N 0.419 120.635 120.200 0.027 0.000 2.708 632 E HA 0.234 4.589 4.350 0.008 0.000 0.260 632 E C 0.424 177.113 176.600 0.148 0.000 0.937 632 E CA 1.235 57.692 56.400 0.095 0.000 0.953 632 E CB -0.585 29.174 29.700 0.099 0.000 0.915 632 E HN 0.664 nan 8.360 nan 0.000 0.487 633 G N 3.253 112.120 108.800 0.112 0.000 2.359 633 G HA2 -0.060 3.905 3.960 0.008 0.000 0.303 633 G HA3 -0.060 3.905 3.960 0.008 0.000 0.303 633 G C -1.370 173.558 174.900 0.046 0.000 1.293 633 G CA -0.629 44.470 45.100 -0.000 0.000 0.964 633 G HN 0.612 nan 8.290 nan 0.000 0.531 634 R N -0.245 120.211 120.500 -0.075 0.000 2.246 634 R HA 0.575 4.919 4.340 0.008 0.000 0.332 634 R C -1.051 175.232 176.300 -0.029 0.000 0.974 634 R CA -0.702 55.412 56.100 0.024 0.000 0.837 634 R CB 0.604 30.918 30.300 0.023 0.000 1.145 634 R HN 0.466 nan 8.270 nan 0.000 0.467 635 W N 2.017 123.319 121.300 0.003 0.000 2.516 635 W HA 0.428 5.093 4.660 0.008 0.000 0.343 635 W C -0.205 176.432 176.519 0.195 0.000 1.094 635 W CA -0.393 56.984 57.345 0.053 0.000 1.250 635 W CB 2.153 31.602 29.460 -0.019 0.000 1.308 635 W HN 0.312 nan 8.180 nan 0.000 0.588 636 T N 1.567 116.399 114.554 0.464 0.000 2.881 636 T HA 0.084 4.438 4.350 0.008 0.000 0.290 636 T C -0.831 173.969 174.700 0.166 0.000 1.000 636 T CA -0.643 61.691 62.100 0.390 0.000 0.978 636 T CB 0.873 70.007 68.868 0.443 0.000 0.997 636 T HN 0.287 nan 8.240 nan 0.000 0.443 637 H N 3.644 122.633 119.070 -0.134 0.000 3.046 637 H HA 0.052 4.612 4.556 0.008 0.000 0.303 637 H C 1.061 176.181 175.328 -0.348 0.000 1.002 637 H CA -0.365 55.263 56.048 -0.700 0.000 1.460 637 H CB 0.712 30.050 29.762 -0.707 0.000 1.493 637 H HN 0.538 nan 8.280 nan 0.000 0.559 638 L N 6.438 127.294 121.223 -0.611 0.000 2.064 638 L HA -0.232 4.113 4.340 0.008 0.000 0.216 638 L C 1.758 178.737 176.870 0.181 0.000 1.077 638 L CA 2.570 57.311 54.840 -0.165 0.000 0.766 638 L CB -0.550 41.411 42.059 -0.163 0.000 0.890 638 L HN 0.840 nan 8.230 nan 0.000 0.435 639 W N -4.388 117.013 121.300 0.168 0.000 2.873 639 W HA 0.251 4.916 4.660 0.007 0.000 0.282 639 W C 1.924 178.478 176.519 0.059 0.000 1.118 639 W CA 0.084 57.483 57.345 0.089 0.000 1.480 639 W CB -0.768 28.700 29.460 0.014 0.000 0.954 639 W HN -0.028 nan 8.180 nan 0.000 0.591 640 H N 1.124 120.078 119.070 -0.192 0.000 2.495 640 H HA 0.003 4.563 4.556 0.008 0.000 0.287 640 H C 0.779 176.095 175.328 -0.021 0.000 1.033 640 H CA 1.299 57.201 56.048 -0.242 0.000 1.307 640 H CB -0.380 28.972 29.762 -0.684 0.000 1.401 640 H HN 0.213 nan 8.280 nan 0.000 0.555 641 N N 0.962 119.766 118.700 0.174 0.000 2.900 641 N HA -0.170 4.575 4.740 0.008 0.000 0.240 641 N C -0.612 175.010 175.510 0.187 0.000 0.953 641 N CA 1.081 54.249 53.050 0.197 0.000 0.950 641 N CB -0.984 37.605 38.487 0.169 0.000 1.102 641 N HN 0.693 nan 8.380 nan 0.000 0.593 642 D N 0.111 120.619 120.400 0.180 0.000 2.372 642 D HA 0.111 4.755 4.640 0.008 0.000 0.243 642 D C -0.229 176.242 176.300 0.285 0.000 1.121 642 D CA 0.317 54.428 54.000 0.184 0.000 0.898 642 D CB 0.951 41.836 40.800 0.142 0.000 1.202 642 D HN 0.276 nan 8.370 nan 0.000 0.428 643 E N 0.755 121.088 120.200 0.221 0.000 2.212 643 E HA 0.563 4.918 4.350 0.008 0.000 0.268 643 E C -0.625 176.055 176.600 0.132 0.000 0.902 643 E CA -0.892 55.641 56.400 0.223 0.000 0.779 643 E CB 2.362 32.160 29.700 0.163 0.000 1.172 643 E HN 0.378 nan 8.360 nan 0.000 0.409 644 L N 1.702 122.978 121.223 0.088 0.000 2.422 644 L HA 0.384 4.729 4.340 0.008 0.000 0.264 644 L C -0.754 176.142 176.870 0.043 0.000 0.984 644 L CA -1.069 53.721 54.840 -0.083 0.000 0.819 644 L CB 2.148 43.891 42.059 -0.527 0.000 1.330 644 L HN 0.370 nan 8.230 nan 0.000 0.410 645 D N 1.229 121.671 120.400 0.070 0.000 2.256 645 D HA 0.427 5.072 4.640 0.008 0.000 0.250 645 D C 0.184 176.565 176.300 0.135 0.000 1.093 645 D CA 0.161 54.230 54.000 0.115 0.000 0.882 645 D CB 2.122 42.970 40.800 0.080 0.000 1.185 645 D HN 0.644 nan 8.370 nan 0.000 0.437 646 G N -0.548 108.320 108.800 0.114 0.000 2.531 646 G HA2 0.372 4.336 3.960 0.008 0.000 0.281 646 G HA3 0.372 4.336 3.960 0.008 0.000 0.281 646 G C 0.239 175.063 174.900 -0.127 0.000 1.382 646 G CA 0.110 45.200 45.100 -0.018 0.000 1.045 646 G HN 0.721 nan 8.290 nan 0.000 0.533 647 S N -1.841 113.684 115.700 -0.292 0.000 3.586 647 S HA -0.183 4.291 4.470 0.008 0.000 0.309 647 S C 0.300 174.836 174.600 -0.106 0.000 1.195 647 S CA 1.846 59.960 58.200 -0.144 0.000 0.895 647 S CB -1.554 61.652 63.200 0.010 0.000 0.983 647 S HN 1.716 nan 8.310 nan 0.000 0.563 648 R N -1.580 118.675 120.500 -0.409 0.000 2.728 648 R HA 0.562 4.907 4.340 0.008 0.000 0.274 648 R C -1.282 174.729 176.300 -0.483 0.000 1.030 648 R CA -1.071 54.898 56.100 -0.217 0.000 0.876 648 R CB -0.197 29.977 30.300 -0.211 0.000 1.259 648 R HN 0.209 nan 8.270 nan 0.000 0.468 649 W N 0.806 121.896 121.300 -0.351 0.000 2.215 649 W HA 0.455 5.119 4.660 0.008 0.000 0.342 649 W C 0.377 176.420 176.519 -0.794 0.000 1.237 649 W CA 0.509 57.595 57.345 -0.432 0.000 1.283 649 W CB 0.749 30.086 29.460 -0.205 0.000 1.131 649 W HN 0.306 nan 8.180 nan 0.000 0.606 650 H N 1.231 120.094 119.070 -0.345 0.000 2.895 650 H HA 0.341 4.902 4.556 0.008 0.000 0.373 650 H C -1.052 174.039 175.328 -0.395 0.000 1.174 650 H CA -1.094 54.661 56.048 -0.489 0.000 1.144 650 H CB 2.468 31.685 29.762 -0.908 0.000 1.793 650 H HN 0.217 nan 8.280 nan 0.000 0.551 651 K N 2.096 122.466 120.400 -0.050 0.000 2.324 651 K HA 0.398 4.723 4.320 0.008 0.000 0.253 651 K C -1.112 175.544 176.600 0.094 0.000 0.932 651 K CA -0.406 55.900 56.287 0.032 0.000 0.799 651 K CB 1.945 34.455 32.500 0.017 0.000 1.154 651 K HN 0.678 nan 8.250 nan 0.000 0.425 652 Q N 1.671 121.583 119.800 0.187 0.000 2.553 652 Q HA 0.248 4.592 4.340 0.008 0.000 0.293 652 Q C -1.633 174.448 176.000 0.136 0.000 1.038 652 Q CA -0.948 54.960 55.803 0.175 0.000 0.777 652 Q CB 3.014 31.987 28.738 0.392 0.000 1.487 652 Q HN 0.553 nan 8.270 nan 0.000 0.426 653 Q N 0.918 120.701 119.800 -0.028 0.000 2.321 653 Q HA 0.363 4.708 4.340 0.008 0.000 0.270 653 Q C -1.668 174.197 176.000 -0.224 0.000 1.032 653 Q CA -0.362 55.418 55.803 -0.038 0.000 0.784 653 Q CB 1.329 30.035 28.738 -0.055 0.000 1.264 653 Q HN 0.583 nan 8.270 nan 0.000 0.448 654 H N 1.816 120.862 119.070 -0.040 0.000 2.572 654 H HA 0.433 4.993 4.556 0.007 0.000 0.359 654 H C -0.117 175.131 175.328 -0.134 0.000 1.134 654 H CA -0.549 55.468 56.048 -0.050 0.000 1.187 654 H CB 2.102 31.872 29.762 0.013 0.000 1.597 654 H HN 0.879 nan 8.280 nan 0.000 0.524 655 G N 0.362 109.156 108.800 -0.010 0.000 2.621 655 G HA2 0.133 4.098 3.960 0.008 0.000 0.271 655 G HA3 0.133 4.098 3.960 0.008 0.000 0.271 655 G C 0.211 175.079 174.900 -0.054 0.000 1.236 655 G CA -0.403 44.629 45.100 -0.113 0.000 0.958 655 G HN 0.486 nan 8.290 nan 0.000 0.512 656 F N -1.075 118.985 119.950 0.183 0.000 2.604 656 F HA 0.084 4.616 4.527 0.008 0.000 0.298 656 F C 2.017 177.969 175.800 0.253 0.000 1.131 656 F CA 0.283 58.415 58.000 0.219 0.000 1.457 656 F CB 0.070 39.195 39.000 0.209 0.000 1.095 656 F HN 0.053 nan 8.300 nan 0.000 0.574 657 L N -1.373 120.003 121.223 0.256 0.000 2.653 657 L HA 0.213 4.558 4.340 0.008 0.000 0.231 657 L C 0.556 177.488 176.870 0.104 0.000 1.153 657 L CA 0.136 54.932 54.840 -0.073 0.000 0.933 657 L CB -0.525 41.268 42.059 -0.443 0.000 1.175 657 L HN -0.043 nan 8.230 nan 0.000 0.473 658 S N -0.037 115.942 115.700 0.464 0.000 2.618 658 S HA 0.929 5.404 4.470 0.008 0.000 0.277 658 S C -1.368 173.470 174.600 0.396 0.000 1.138 658 S CA -0.587 58.000 58.200 0.646 0.000 0.844 658 S CB 1.324 64.922 63.200 0.663 0.000 1.127 658 S HN 0.123 nan 8.310 nan 0.000 0.474 659 L N -0.975 120.320 121.223 0.119 0.000 2.921 659 L HA 0.633 4.978 4.340 0.008 0.000 0.261 659 L C -3.221 173.376 176.870 -0.454 0.000 0.984 659 L CA -2.013 52.590 54.840 -0.395 0.000 0.951 659 L CB 1.364 43.351 42.059 -0.120 0.000 1.495 659 L HN 0.367 nan 8.230 nan 0.000 0.414 660 P HA 0.225 nan 4.420 nan 0.000 0.265 660 P C -0.883 176.124 177.300 -0.488 0.000 1.222 660 P CA 0.070 62.906 63.100 -0.440 0.000 0.767 660 P CB 0.884 32.083 31.700 -0.836 0.000 0.801 661 V N 5.746 125.184 119.914 -0.793 0.000 2.443 661 V HA 0.260 4.385 4.120 0.008 0.000 0.272 661 V C -0.888 174.629 176.094 -0.962 0.000 1.002 661 V CA -0.495 61.383 62.300 -0.703 0.000 0.840 661 V CB 0.105 31.618 31.823 -0.517 0.000 1.042 661 V HN 0.383 nan 8.190 nan 0.000 0.446 662 Y N 2.302 122.355 120.300 -0.412 0.000 2.341 662 Y HA 0.644 5.198 4.550 0.008 0.000 0.337 662 Y C 0.198 176.128 175.900 0.050 0.000 1.014 662 Y CA -0.791 57.199 58.100 -0.183 0.000 1.111 662 Y CB 2.202 40.576 38.460 -0.144 0.000 1.194 662 Y HN 0.356 nan 8.280 nan 0.000 0.462 663 V N 4.814 124.742 119.914 0.023 0.000 2.394 663 V HA 0.377 4.501 4.120 0.008 0.000 0.282 663 V C 0.320 176.249 176.094 -0.275 0.000 1.031 663 V CA -1.261 60.862 62.300 -0.294 0.000 0.881 663 V CB 1.116 32.298 31.823 -1.068 0.000 0.982 663 V HN 0.712 nan 8.190 nan 0.000 0.451 664 R N 2.477 122.669 120.500 -0.512 0.000 2.740 664 R HA 0.019 4.364 4.340 0.008 0.000 0.263 664 R C 0.179 176.131 176.300 -0.579 0.000 0.997 664 R CA -0.082 55.404 56.100 -1.022 0.000 1.108 664 R CB 0.352 30.257 30.300 -0.658 0.000 0.969 664 R HN 0.971 nan 8.270 nan 0.000 0.431 665 D N 1.605 121.668 120.400 -0.561 0.000 2.384 665 D HA -0.065 4.580 4.640 0.008 0.000 0.244 665 D C -0.190 176.004 176.300 -0.176 0.000 1.251 665 D CA -0.316 53.528 54.000 -0.260 0.000 0.961 665 D CB 0.235 40.892 40.800 -0.238 0.000 1.116 665 D HN 0.549 nan 8.370 nan 0.000 0.484 666 N N -1.421 117.223 118.700 -0.093 0.000 2.727 666 N HA -0.159 4.586 4.740 0.008 0.000 0.249 666 N C -0.897 174.620 175.510 0.011 0.000 1.048 666 N CA 1.008 54.033 53.050 -0.041 0.000 0.714 666 N CB -1.578 36.872 38.487 -0.062 0.000 0.959 666 N HN 0.528 nan 8.380 nan 0.000 0.544 667 T N 0.862 115.453 114.554 0.061 0.000 2.829 667 T HA 0.567 4.922 4.350 0.008 0.000 0.280 667 T C -0.112 174.718 174.700 0.216 0.000 0.999 667 T CA -0.551 61.604 62.100 0.092 0.000 0.983 667 T CB 2.346 71.210 68.868 -0.007 0.000 0.968 667 T HN 0.126 nan 8.240 nan 0.000 0.446 668 L N 4.031 125.363 121.223 0.182 0.000 2.342 668 L HA 0.685 5.030 4.340 0.008 0.000 0.276 668 L C -1.475 175.552 176.870 0.261 0.000 0.997 668 L CA -0.734 54.246 54.840 0.234 0.000 0.838 668 L CB 1.099 43.249 42.059 0.152 0.000 1.224 668 L HN 0.560 nan 8.230 nan 0.000 0.416 669 L N 4.514 125.932 121.223 0.325 0.000 2.322 669 L HA 0.867 5.211 4.340 0.008 0.000 0.281 669 L C -0.252 176.763 176.870 0.242 0.000 1.014 669 L CA -0.158 54.813 54.840 0.218 0.000 0.815 669 L CB 1.803 43.960 42.059 0.163 0.000 1.247 669 L HN 0.742 nan 8.230 nan 0.000 0.421 670 A N 5.534 128.436 122.820 0.138 0.000 2.249 670 A HA 0.684 5.009 4.320 0.008 0.000 0.314 670 A C -1.147 176.414 177.584 -0.038 0.000 1.290 670 A CA -0.424 51.567 52.037 -0.075 0.000 0.893 670 A CB 0.087 18.989 19.000 -0.164 0.000 1.165 670 A HN 0.514 nan 8.150 nan 0.000 0.530 671 L N 2.449 123.661 121.223 -0.019 0.000 2.322 671 L HA 0.650 4.994 4.340 0.008 0.000 0.279 671 L C 1.036 177.936 176.870 0.049 0.000 1.036 671 L CA 0.229 55.080 54.840 0.018 0.000 0.807 671 L CB 1.535 43.600 42.059 0.010 0.000 1.226 671 L HN 0.737 nan 8.230 nan 0.000 0.433 672 G N 0.599 109.485 108.800 0.144 0.000 2.522 672 G HA2 0.314 4.279 3.960 0.008 0.000 0.304 672 G HA3 0.314 4.279 3.960 0.008 0.000 0.304 672 G C 0.417 175.441 174.900 0.208 0.000 1.210 672 G CA -0.429 44.858 45.100 0.312 0.000 0.960 672 G HN 0.733 nan 8.290 nan 0.000 0.497 673 N N -0.585 118.225 118.700 0.184 0.000 2.230 673 N HA 0.002 4.746 4.740 0.008 0.000 0.202 673 N C -0.148 175.252 175.510 -0.185 0.000 1.119 673 N CA -0.331 52.721 53.050 0.003 0.000 0.851 673 N CB 0.352 38.856 38.487 0.029 0.000 0.990 673 N HN 0.324 nan 8.380 nan 0.000 0.497 674 N N 1.235 119.633 118.700 -0.504 0.000 2.342 674 N HA 0.102 4.847 4.740 0.008 0.000 0.293 674 N C -1.120 174.125 175.510 -0.442 0.000 1.026 674 N CA -0.253 52.386 53.050 -0.685 0.000 0.857 674 N CB 1.622 39.324 38.487 -1.308 0.000 1.256 674 N HN 0.169 nan 8.380 nan 0.000 0.484 675 D N 1.744 122.007 120.400 -0.229 0.000 2.571 675 D HA 0.108 4.753 4.640 0.008 0.000 0.239 675 D C 0.102 176.377 176.300 -0.041 0.000 1.267 675 D CA 0.150 54.083 54.000 -0.111 0.000 0.823 675 D CB 0.490 41.223 40.800 -0.112 0.000 1.056 675 D HN 0.305 nan 8.370 nan 0.000 0.494 676 Q N 0.388 120.165 119.800 -0.038 0.000 2.322 676 Q HA 0.209 4.554 4.340 0.008 0.000 0.250 676 Q C 0.352 176.501 176.000 0.248 0.000 0.853 676 Q CA 0.408 56.250 55.803 0.066 0.000 0.951 676 Q CB 1.610 30.352 28.738 0.007 0.000 1.114 676 Q HN 0.543 nan 8.270 nan 0.000 0.523 677 R N -0.712 119.864 120.500 0.127 0.000 2.680 677 R HA 0.398 4.742 4.340 0.008 0.000 0.269 677 R C -2.633 173.727 176.300 0.101 0.000 1.026 677 R CA -1.295 54.852 56.100 0.077 0.000 0.889 677 R CB 1.283 31.662 30.300 0.132 0.000 1.241 677 R HN -0.305 nan 8.270 nan 0.000 0.463 678 P HA -0.007 nan 4.420 nan 0.000 0.234 678 P C -0.756 176.776 177.300 0.387 0.000 1.175 678 P CA 0.741 63.980 63.100 0.231 0.000 0.801 678 P CB 0.140 31.895 31.700 0.091 0.000 0.891 679 D N 0.937 121.488 120.400 0.252 0.000 2.443 679 D HA 0.220 4.865 4.640 0.008 0.000 0.221 679 D C -0.269 176.016 176.300 -0.024 0.000 1.097 679 D CA -0.822 53.201 54.000 0.039 0.000 0.865 679 D CB 0.075 40.898 40.800 0.038 0.000 1.034 679 D HN 0.245 nan 8.370 nan 0.000 0.511 680 Y N -1.900 118.115 120.300 -0.475 0.000 2.705 680 Y HA 0.469 5.024 4.550 0.008 0.000 0.332 680 Y C -0.800 174.620 175.900 -0.799 0.000 1.221 680 Y CA -1.727 56.097 58.100 -0.461 0.000 1.059 680 Y CB 0.613 38.958 38.460 -0.192 0.000 1.298 680 Y HN -0.086 nan 8.280 nan 0.000 0.459 681 V N 3.025 122.729 119.914 -0.350 0.000 2.356 681 V HA -0.120 4.004 4.120 0.008 0.000 0.244 681 V C 0.437 176.329 176.094 -0.336 0.000 1.120 681 V CA -0.051 61.989 62.300 -0.434 0.000 1.181 681 V CB -1.195 30.430 31.823 -0.332 0.000 1.244 681 V HN 0.826 nan 8.190 nan 0.000 0.487 682 W N 3.221 124.364 121.300 -0.262 0.000 2.392 682 W HA -0.113 4.551 4.660 0.008 0.000 0.279 682 W C 2.208 178.688 176.519 -0.066 0.000 1.225 682 W CA 1.535 58.735 57.345 -0.243 0.000 1.233 682 W CB -0.683 28.617 29.460 -0.267 0.000 1.122 682 W HN 0.860 nan 8.180 nan 0.000 0.561 683 H N -0.725 118.425 119.070 0.134 0.000 2.547 683 H HA 0.222 4.783 4.556 0.008 0.000 0.266 683 H C -0.513 174.846 175.328 0.053 0.000 0.988 683 H CA 0.485 56.580 56.048 0.078 0.000 1.147 683 H CB -0.379 29.422 29.762 0.065 0.000 1.365 683 H HN 0.115 nan 8.280 nan 0.000 0.589 684 E N 0.464 120.558 120.200 -0.177 0.000 2.129 684 E HA 0.382 4.737 4.350 0.008 0.000 0.268 684 E C 0.058 176.679 176.600 0.035 0.000 0.900 684 E CA -0.267 56.088 56.400 -0.076 0.000 0.755 684 E CB 1.495 31.093 29.700 -0.170 0.000 1.117 684 E HN 0.541 nan 8.360 nan 0.000 0.410 685 G N 3.069 111.925 108.800 0.093 0.000 2.132 685 G HA2 -0.262 3.703 3.960 0.008 0.000 0.234 685 G HA3 -0.262 3.703 3.960 0.008 0.000 0.234 685 G C 0.390 175.363 174.900 0.121 0.000 0.989 685 G CA 0.044 45.205 45.100 0.101 0.000 0.676 685 G HN 0.501 nan 8.290 nan 0.000 0.522 686 T N 0.955 115.584 114.554 0.126 0.000 2.928 686 T HA 0.481 4.836 4.350 0.008 0.000 0.305 686 T C 0.640 175.345 174.700 0.008 0.000 1.035 686 T CA 0.824 62.909 62.100 -0.026 0.000 1.145 686 T CB 1.585 70.302 68.868 -0.252 0.000 0.963 686 T HN 1.506 nan 8.240 nan 0.000 0.545 687 A N 3.446 126.235 122.820 -0.053 0.000 2.258 687 A HA 0.674 4.999 4.320 0.008 0.000 0.316 687 A C -0.521 177.075 177.584 0.019 0.000 1.279 687 A CA -0.740 51.337 52.037 0.068 0.000 0.876 687 A CB 0.060 19.171 19.000 0.185 0.000 1.170 687 A HN 0.712 nan 8.150 nan 0.000 0.520 688 F N 1.800 121.856 119.950 0.176 0.000 2.385 688 F HA 0.420 4.952 4.527 0.008 0.000 0.336 688 F C 0.861 176.672 175.800 0.018 0.000 1.100 688 F CA 0.202 58.306 58.000 0.172 0.000 1.116 688 F CB 1.313 40.386 39.000 0.122 0.000 1.166 688 F HN 0.508 nan 8.300 nan 0.000 0.511 689 H N 3.696 122.901 119.070 0.224 0.000 2.823 689 H HA 0.329 4.890 4.556 0.008 0.000 0.332 689 H C -1.294 174.017 175.328 -0.027 0.000 0.980 689 H CA -0.886 55.163 56.048 0.001 0.000 1.286 689 H CB 2.428 32.156 29.762 -0.055 0.000 1.541 689 H HN 0.428 nan 8.280 nan 0.000 0.521 690 L N 4.055 125.235 121.223 -0.071 0.000 2.275 690 L HA 0.397 4.742 4.340 0.008 0.000 0.288 690 L C -1.437 175.327 176.870 -0.178 0.000 1.046 690 L CA -0.172 54.666 54.840 -0.004 0.000 0.805 690 L CB 0.231 42.298 42.059 0.013 0.000 1.193 690 L HN 0.353 nan 8.230 nan 0.000 0.426 691 F N 3.962 123.937 119.950 0.041 0.000 2.477 691 F HA 0.381 4.913 4.527 0.008 0.000 0.335 691 F C 0.734 176.518 175.800 -0.025 0.000 1.130 691 F CA -0.838 57.172 58.000 0.015 0.000 0.948 691 F CB 1.027 40.024 39.000 -0.004 0.000 1.154 691 F HN 0.607 nan 8.300 nan 0.000 0.439 692 N N 2.024 120.799 118.700 0.125 0.000 2.686 692 N HA -0.233 4.512 4.740 0.008 0.000 0.261 692 N C -0.995 174.508 175.510 -0.011 0.000 1.001 692 N CA -0.041 53.034 53.050 0.042 0.000 0.764 692 N CB -0.608 37.894 38.487 0.024 0.000 0.898 692 N HN 0.346 nan 8.380 nan 0.000 0.544 693 L N 1.235 122.459 121.223 0.002 0.000 2.433 693 L HA 0.157 4.502 4.340 0.008 0.000 0.275 693 L C 0.606 177.452 176.870 -0.039 0.000 1.128 693 L CA 0.542 55.374 54.840 -0.014 0.000 0.875 693 L CB 0.585 42.657 42.059 0.021 0.000 1.171 693 L HN 0.231 nan 8.230 nan 0.000 0.463 694 Q N 2.161 121.888 119.800 -0.121 0.000 2.312 694 Q HA 0.143 4.487 4.340 0.008 0.000 0.236 694 Q C -0.525 175.504 176.000 0.049 0.000 0.965 694 Q CA -0.671 55.067 55.803 -0.107 0.000 0.894 694 Q CB 0.977 29.519 28.738 -0.327 0.000 1.225 694 Q HN 0.584 nan 8.270 nan 0.000 0.478 695 D N -0.350 120.093 120.400 0.072 0.000 2.450 695 D HA 0.137 4.781 4.640 0.008 0.000 0.247 695 D C 0.698 177.099 176.300 0.168 0.000 1.162 695 D CA 1.762 55.819 54.000 0.094 0.000 0.879 695 D CB 0.243 41.079 40.800 0.060 0.000 1.163 695 D HN 0.679 nan 8.370 nan 0.000 0.472 696 G N 3.129 112.000 108.800 0.118 0.000 2.194 696 G HA2 -0.208 3.757 3.960 0.008 0.000 0.236 696 G HA3 -0.208 3.757 3.960 0.008 0.000 0.236 696 G C 0.381 175.283 174.900 0.003 0.000 0.987 696 G CA 0.155 45.289 45.100 0.057 0.000 0.635 696 G HN 0.705 nan 8.290 nan 0.000 0.520 697 H N 0.318 119.387 119.070 -0.003 0.000 2.544 697 H HA 0.598 5.159 4.556 0.008 0.000 0.342 697 H C -0.608 174.716 175.328 -0.007 0.000 1.185 697 H CA -0.349 55.696 56.048 -0.006 0.000 1.264 697 H CB 1.749 31.508 29.762 -0.005 0.000 1.607 697 H HN 0.275 nan 8.280 nan 0.000 0.550 698 E N 0.631 120.890 120.200 0.099 0.000 2.199 698 E HA 0.487 4.841 4.350 0.008 0.000 0.265 698 E C -1.481 175.150 176.600 0.052 0.000 0.882 698 E CA -0.943 55.485 56.400 0.047 0.000 0.759 698 E CB 1.819 31.521 29.700 0.004 0.000 1.148 698 E HN 0.680 nan 8.360 nan 0.000 0.412 699 A N 3.614 126.458 122.820 0.039 0.000 2.288 699 A HA 0.567 4.891 4.320 0.008 0.000 0.320 699 A C -0.794 176.798 177.584 0.013 0.000 1.217 699 A CA -0.558 51.502 52.037 0.039 0.000 0.840 699 A CB 0.975 20.008 19.000 0.056 0.000 1.179 699 A HN 0.333 nan 8.150 nan 0.000 0.504 700 V N 1.338 121.260 119.914 0.013 0.000 2.555 700 V HA 0.574 4.698 4.120 0.008 0.000 0.302 700 V C -0.235 175.874 176.094 0.024 0.000 1.038 700 V CA -0.673 61.620 62.300 -0.012 0.000 0.887 700 V CB 1.392 33.198 31.823 -0.028 0.000 0.991 700 V HN 1.046 nan 8.190 nan 0.000 0.434 701 C N 4.146 123.454 119.300 0.014 0.000 2.482 701 C HA 0.668 5.133 4.460 0.008 0.000 0.317 701 C C -0.441 174.584 174.990 0.060 0.000 1.197 701 C CA -0.295 58.782 59.018 0.099 0.000 1.432 701 C CB 0.746 28.625 27.740 0.232 0.000 2.062 701 C HN 1.022 nan 8.230 nan 0.000 0.471 702 E N 4.073 124.322 120.200 0.082 0.000 2.155 702 E HA 0.431 4.786 4.350 0.008 0.000 0.264 702 E C -0.905 175.767 176.600 0.120 0.000 0.886 702 E CA -0.433 56.003 56.400 0.060 0.000 0.752 702 E CB 1.911 31.619 29.700 0.015 0.000 1.133 702 E HN 0.596 nan 8.360 nan 0.000 0.414 703 V N 5.397 125.429 119.914 0.197 0.000 2.461 703 V HA 0.245 4.369 4.120 0.008 0.000 0.275 703 V C -1.893 174.318 176.094 0.196 0.000 1.047 703 V CA -1.625 60.807 62.300 0.220 0.000 0.955 703 V CB 0.512 32.540 31.823 0.342 0.000 0.988 703 V HN 0.573 nan 8.190 nan 0.000 0.471 704 P HA 0.445 nan 4.420 nan 0.000 0.286 704 P C -0.441 177.095 177.300 0.394 0.000 1.261 704 P CA -0.323 62.923 63.100 0.243 0.000 0.821 704 P CB 1.593 33.427 31.700 0.223 0.000 1.013 705 A N 2.291 125.276 122.820 0.275 0.000 2.249 705 A HA 0.505 4.829 4.320 0.008 0.000 0.281 705 A C 1.733 179.500 177.584 0.304 0.000 1.127 705 A CA 0.234 52.400 52.037 0.215 0.000 0.833 705 A CB -0.640 18.413 19.000 0.088 0.000 1.140 705 A HN 0.513 nan 8.150 nan 0.000 0.502 706 A N -0.387 122.480 122.820 0.078 0.000 2.070 706 A HA -0.105 4.219 4.320 0.008 0.000 0.220 706 A C 1.333 179.044 177.584 0.213 0.000 1.159 706 A CA 2.043 54.086 52.037 0.010 0.000 0.656 706 A CB -0.631 18.279 19.000 -0.149 0.000 0.800 706 A HN 0.852 nan 8.150 nan 0.000 0.453 707 D N -2.616 117.904 120.400 0.201 0.000 2.339 707 D HA 0.273 4.918 4.640 0.008 0.000 0.217 707 D C 1.191 177.630 176.300 0.232 0.000 1.050 707 D CA 0.994 55.113 54.000 0.198 0.000 0.856 707 D CB -0.387 40.480 40.800 0.113 0.000 0.922 707 D HN 0.717 nan 8.370 nan 0.000 0.518 708 G N 0.336 109.328 108.800 0.320 0.000 2.217 708 G HA2 -0.294 3.671 3.960 0.008 0.000 0.246 708 G HA3 -0.294 3.671 3.960 0.008 0.000 0.246 708 G C 0.464 175.427 174.900 0.104 0.000 0.990 708 G CA 0.380 45.594 45.100 0.189 0.000 0.627 708 G HN 0.848 nan 8.290 nan 0.000 0.522 709 S N -0.239 115.523 115.700 0.103 0.000 2.584 709 S HA 0.539 5.013 4.470 0.008 0.000 0.270 709 S C 0.496 175.139 174.600 0.072 0.000 1.346 709 S CA -0.002 58.236 58.200 0.064 0.000 1.018 709 S CB 1.981 65.212 63.200 0.051 0.000 0.899 709 S HN 1.115 nan 8.310 nan 0.000 0.542 710 V N 3.389 123.330 119.914 0.044 0.000 2.455 710 V HA 0.202 4.327 4.120 0.008 0.000 0.273 710 V C 1.072 177.194 176.094 0.047 0.000 1.045 710 V CA -0.082 62.246 62.300 0.048 0.000 0.976 710 V CB 0.532 32.365 31.823 0.017 0.000 0.993 710 V HN 0.983 nan 8.190 nan 0.000 0.475 711 I N 4.291 124.903 120.570 0.069 0.000 3.462 711 I HA 0.315 4.490 4.170 0.008 0.000 0.290 711 I C 0.020 176.223 176.117 0.144 0.000 1.236 711 I CA 0.558 61.878 61.300 0.033 0.000 1.418 711 I CB 0.460 38.390 38.000 -0.117 0.000 1.102 711 I HN 0.559 nan 8.210 nan 0.000 0.441 712 F N -0.355 119.584 119.950 -0.018 0.000 2.635 712 F HA 0.433 4.965 4.527 0.008 0.000 0.314 712 F C -1.157 174.633 175.800 -0.017 0.000 1.119 712 F CA -0.464 57.526 58.000 -0.016 0.000 1.000 712 F CB 1.566 40.572 39.000 0.009 0.000 1.278 712 F HN -0.409 nan 8.300 nan 0.000 0.446 713 T N 6.681 120.767 114.554 -0.780 0.000 2.848 713 T HA 0.553 4.907 4.350 0.008 0.000 0.285 713 T C -1.707 172.442 174.700 -0.919 0.000 0.995 713 T CA -0.586 61.163 62.100 -0.585 0.000 0.970 713 T CB 1.557 70.224 68.868 -0.335 0.000 0.976 713 T HN 0.532 nan 8.240 nan 0.000 0.441 714 L N 3.137 123.992 121.223 -0.612 0.000 2.365 714 L HA 0.670 5.014 4.340 0.008 0.000 0.273 714 L C -0.955 175.730 176.870 -0.309 0.000 1.000 714 L CA -0.719 53.771 54.840 -0.583 0.000 0.819 714 L CB 1.782 43.369 42.059 -0.788 0.000 1.284 714 L HN 0.660 nan 8.230 nan 0.000 0.418 715 K N 3.329 123.589 120.400 -0.234 0.000 2.426 715 K HA 0.720 5.045 4.320 0.008 0.000 0.254 715 K C -0.985 175.566 176.600 -0.081 0.000 0.936 715 K CA -0.433 55.778 56.287 -0.127 0.000 0.801 715 K CB 2.305 34.740 32.500 -0.108 0.000 1.139 715 K HN 0.677 nan 8.250 nan 0.000 0.424 716 A N 2.012 124.807 122.820 -0.042 0.000 2.291 716 A HA 0.761 5.086 4.320 0.008 0.000 0.311 716 A C -1.009 176.579 177.584 0.006 0.000 1.224 716 A CA -0.616 51.414 52.037 -0.012 0.000 0.821 716 A CB 1.073 20.076 19.000 0.004 0.000 1.172 716 A HN 0.679 nan 8.150 nan 0.000 0.494 717 A N 2.835 125.659 122.820 0.007 0.000 2.304 717 A HA 0.729 5.053 4.320 0.008 0.000 0.314 717 A C -0.059 177.538 177.584 0.022 0.000 1.187 717 A CA -0.658 51.388 52.037 0.015 0.000 0.810 717 A CB 0.662 19.663 19.000 0.002 0.000 1.183 717 A HN 0.891 nan 8.150 nan 0.000 0.487 718 R N 1.750 122.271 120.500 0.036 0.000 2.255 718 R HA 0.494 4.838 4.340 0.008 0.000 0.326 718 R C 0.290 176.610 176.300 0.034 0.000 0.986 718 R CA 0.185 56.307 56.100 0.036 0.000 0.847 718 R CB 1.091 31.418 30.300 0.045 0.000 1.111 718 R HN 0.661 nan 8.270 nan 0.000 0.452 719 T N 1.313 115.880 114.554 0.023 0.000 2.985 719 T HA 0.335 4.690 4.350 0.008 0.000 0.254 719 T C 0.495 175.206 174.700 0.018 0.000 1.021 719 T CA 0.733 62.843 62.100 0.018 0.000 0.957 719 T CB 0.495 69.369 68.868 0.010 0.000 1.047 719 T HN 0.787 nan 8.240 nan 0.000 0.511 720 G N 0.707 109.519 108.800 0.019 0.000 3.686 720 G HA2 0.145 4.109 3.960 0.008 0.000 0.132 720 G HA3 0.145 4.109 3.960 0.008 0.000 0.132 720 G C 0.430 175.341 174.900 0.019 0.000 1.319 720 G CA -0.052 45.059 45.100 0.019 0.000 1.060 720 G HN 0.294 nan 8.290 nan 0.000 0.487 721 N N 0.171 118.881 118.700 0.015 0.000 2.160 721 N HA 0.265 5.010 4.740 0.008 0.000 0.226 721 N C -0.743 174.775 175.510 0.013 0.000 1.256 721 N CA 0.061 53.119 53.050 0.014 0.000 0.890 721 N CB 1.624 40.118 38.487 0.012 0.000 1.116 721 N HN 0.222 nan 8.380 nan 0.000 0.517 722 T N 2.202 116.764 114.554 0.014 0.000 2.743 722 T HA 0.388 4.743 4.350 0.008 0.000 0.293 722 T C 0.164 174.873 174.700 0.015 0.000 0.945 722 T CA -0.401 61.706 62.100 0.013 0.000 1.030 722 T CB 0.555 69.430 68.868 0.011 0.000 0.912 722 T HN 0.118 nan 8.240 nan 0.000 0.483 723 I N 0.440 121.019 120.570 0.015 0.000 2.339 723 I HA 0.529 4.704 4.170 0.008 0.000 0.290 723 I C -0.424 175.703 176.117 0.017 0.000 0.994 723 I CA -0.716 60.594 61.300 0.017 0.000 1.191 723 I CB 1.397 39.408 38.000 0.019 0.000 1.343 723 I HN 0.307 nan 8.210 nan 0.000 0.458 724 T N 6.245 120.808 114.554 0.014 0.000 2.738 724 T HA 0.391 4.745 4.350 0.008 0.000 0.298 724 T C 0.056 174.762 174.700 0.010 0.000 0.962 724 T CA -0.318 61.789 62.100 0.012 0.000 0.972 724 T CB 1.270 70.142 68.868 0.007 0.000 0.928 724 T HN 0.430 nan 8.240 nan 0.000 0.474 725 V N 5.022 124.950 119.914 0.023 0.000 2.370 725 V HA 0.579 4.704 4.120 0.008 0.000 0.279 725 V C 0.580 176.693 176.094 0.031 0.000 1.029 725 V CA -0.769 61.546 62.300 0.025 0.000 0.870 725 V CB 1.180 33.043 31.823 0.067 0.000 0.984 725 V HN 1.038 nan 8.190 nan 0.000 0.451 726 T N 1.699 116.242 114.554 -0.019 0.000 2.840 726 T HA 0.748 5.103 4.350 0.008 0.000 0.287 726 T C 0.031 174.662 174.700 -0.114 0.000 0.991 726 T CA -0.354 61.731 62.100 -0.026 0.000 0.964 726 T CB 1.506 70.351 68.868 -0.038 0.000 0.954 726 T HN 0.825 nan 8.240 nan 0.000 0.438 727 G N 1.214 109.984 108.800 -0.050 0.000 2.491 727 G HA2 0.817 4.782 3.960 0.008 0.000 0.327 727 G HA3 0.817 4.782 3.960 0.008 0.000 0.327 727 G C -0.820 173.955 174.900 -0.208 0.000 1.189 727 G CA -0.795 44.160 45.100 -0.240 0.000 0.956 727 G HN 1.390 nan 8.290 nan 0.000 0.491 728 A N -0.884 121.657 122.820 -0.465 0.000 2.555 728 A HA 0.943 5.268 4.320 0.008 0.000 0.297 728 A C 0.207 177.739 177.584 -0.087 0.000 1.060 728 A CA 0.559 52.500 52.037 -0.161 0.000 0.710 728 A CB 1.041 19.947 19.000 -0.157 0.000 1.282 728 A HN 2.703 nan 8.150 nan 0.000 0.399 729 G N 0.460 109.360 108.800 0.168 0.000 2.472 729 G HA2 0.208 4.173 3.960 0.008 0.000 0.205 729 G HA3 0.208 4.173 3.960 0.008 0.000 0.205 729 G C -0.357 174.783 174.900 0.400 0.000 1.270 729 G CA 0.057 45.313 45.100 0.260 0.000 0.974 729 G HN 1.393 nan 8.290 nan 0.000 0.542 730 E N 0.319 120.685 120.200 0.278 0.000 2.113 730 E HA 0.635 4.989 4.350 0.008 0.000 0.273 730 E C -0.080 176.523 176.600 0.006 0.000 0.924 730 E CA -0.163 56.314 56.400 0.128 0.000 0.764 730 E CB 0.930 30.654 29.700 0.039 0.000 1.104 730 E HN 1.593 nan 8.360 nan 0.000 0.406 731 A N 4.490 127.231 122.820 -0.131 0.000 2.574 731 A HA 0.609 4.933 4.320 0.008 0.000 0.297 731 A C -1.397 176.251 177.584 0.108 0.000 1.062 731 A CA -0.872 51.064 52.037 -0.168 0.000 0.686 731 A CB 1.611 19.975 19.000 -1.059 0.000 1.285 731 A HN 0.584 nan 8.150 nan 0.000 0.403 732 K N 0.949 121.457 120.400 0.180 0.000 2.385 732 K HA 0.543 4.868 4.320 0.008 0.000 0.248 732 K C 0.081 176.778 176.600 0.163 0.000 0.955 732 K CA -0.905 55.471 56.287 0.148 0.000 0.816 732 K CB 1.503 34.044 32.500 0.067 0.000 1.250 732 K HN 0.780 nan 8.250 nan 0.000 0.434 733 N N 1.774 120.500 118.700 0.044 0.000 2.735 733 N HA -0.134 4.611 4.740 0.008 0.000 0.248 733 N C -1.061 174.503 175.510 0.090 0.000 1.083 733 N CA 0.623 53.677 53.050 0.008 0.000 0.703 733 N CB -0.152 38.348 38.487 0.022 0.000 1.005 733 N HN 0.586 nan 8.380 nan 0.000 0.550 734 W N -0.433 120.899 121.300 0.053 0.000 2.497 734 W HA 0.710 5.375 4.660 0.008 0.000 0.359 734 W C -0.370 176.238 176.519 0.149 0.000 1.131 734 W CA -0.478 56.948 57.345 0.134 0.000 1.280 734 W CB 0.599 30.234 29.460 0.292 0.000 1.319 734 W HN -0.131 nan 8.180 nan 0.000 0.626 735 T N 2.640 117.552 114.554 0.596 0.000 2.903 735 T HA 0.419 4.774 4.350 0.008 0.000 0.299 735 T C -1.495 173.517 174.700 0.520 0.000 1.093 735 T CA -0.669 61.635 62.100 0.340 0.000 1.002 735 T CB 1.796 70.757 68.868 0.155 0.000 1.127 735 T HN 0.375 nan 8.240 nan 0.000 0.488 736 L N 3.108 124.518 121.223 0.312 0.000 2.343 736 L HA 0.612 4.957 4.340 0.008 0.000 0.278 736 L C -0.790 176.099 176.870 0.033 0.000 0.996 736 L CA -0.552 54.437 54.840 0.248 0.000 0.831 736 L CB 0.680 42.904 42.059 0.274 0.000 1.232 736 L HN 0.870 nan 8.230 nan 0.000 0.413 737 C N 6.914 126.137 119.300 -0.127 0.000 2.273 737 C HA 0.488 4.953 4.460 0.008 0.000 0.328 737 C C 0.307 175.202 174.990 -0.158 0.000 1.275 737 C CA -0.781 58.110 59.018 -0.211 0.000 1.704 737 C CB -0.280 27.179 27.740 -0.468 0.000 2.326 737 C HN 0.736 nan 8.230 nan 0.000 0.517 738 L N 6.665 127.831 121.223 -0.095 0.000 2.334 738 L HA 0.360 4.705 4.340 0.008 0.000 0.286 738 L C 0.679 177.489 176.870 -0.100 0.000 1.108 738 L CA -0.057 54.733 54.840 -0.083 0.000 0.875 738 L CB -0.189 41.847 42.059 -0.037 0.000 1.246 738 L HN 0.649 nan 8.230 nan 0.000 0.439 739 R N 3.650 124.042 120.500 -0.180 0.000 2.449 739 R HA 0.077 4.422 4.340 0.008 0.000 0.296 739 R C 0.721 176.984 176.300 -0.062 0.000 1.047 739 R CA 0.277 56.269 56.100 -0.179 0.000 1.018 739 R CB 0.036 30.056 30.300 -0.466 0.000 0.962 739 R HN 0.556 nan 8.270 nan 0.000 0.428 740 N N 1.057 119.751 118.700 -0.010 0.000 2.753 740 N HA -0.184 4.561 4.740 0.008 0.000 0.251 740 N C -1.224 174.294 175.510 0.014 0.000 1.097 740 N CA 1.050 54.114 53.050 0.023 0.000 0.786 740 N CB -0.815 37.703 38.487 0.051 0.000 1.137 740 N HN 0.196 nan 8.380 nan 0.000 0.566 741 V N 1.594 121.507 119.914 -0.001 0.000 2.350 741 V HA 0.195 4.320 4.120 0.008 0.000 0.276 741 V C 1.739 177.835 176.094 0.003 0.000 1.028 741 V CA -0.414 61.886 62.300 0.001 0.000 0.860 741 V CB 1.738 33.556 31.823 -0.008 0.000 0.990 741 V HN 0.050 nan 8.190 nan 0.000 0.453 742 V N 2.459 122.379 119.914 0.009 0.000 2.300 742 V HA 0.215 4.339 4.120 0.008 0.000 0.241 742 V C 0.791 176.890 176.094 0.007 0.000 1.034 742 V CA 0.840 63.146 62.300 0.011 0.000 1.021 742 V CB -0.306 31.526 31.823 0.014 0.000 0.662 742 V HN 0.693 nan 8.190 nan 0.000 0.458 743 K N -0.294 120.110 120.400 0.007 0.000 2.468 743 K HA 0.647 4.972 4.320 0.008 0.000 0.252 743 K C -1.923 174.680 176.600 0.005 0.000 0.932 743 K CA -0.471 55.819 56.287 0.005 0.000 0.794 743 K CB 3.057 35.560 32.500 0.006 0.000 1.241 743 K HN 0.095 nan 8.250 nan 0.000 0.428 744 V N 3.299 123.215 119.914 0.003 0.000 2.630 744 V HA 0.154 4.278 4.120 0.008 0.000 0.305 744 V C 0.931 177.027 176.094 0.004 0.000 1.046 744 V CA -0.315 61.987 62.300 0.004 0.000 0.934 744 V CB 1.690 33.514 31.823 0.003 0.000 1.003 744 V HN 0.957 nan 8.190 nan 0.000 0.451 745 N N 3.253 121.956 118.700 0.005 0.000 2.054 745 N HA 0.071 4.816 4.740 0.008 0.000 0.193 745 N C 0.725 176.237 175.510 0.003 0.000 1.066 745 N CA 1.342 54.394 53.050 0.004 0.000 0.853 745 N CB -0.204 38.286 38.487 0.005 0.000 1.048 745 N HN 0.783 nan 8.380 nan 0.000 0.431 746 G N -0.268 108.535 108.800 0.004 0.000 2.400 746 G HA2 0.601 4.565 3.960 0.008 0.000 0.333 746 G HA3 0.601 4.565 3.960 0.008 0.000 0.333 746 G C -1.565 173.337 174.900 0.003 0.000 1.143 746 G CA -0.452 44.650 45.100 0.003 0.000 0.914 746 G HN 0.276 nan 8.290 nan 0.000 0.480 747 L N 1.741 122.964 121.223 0.001 0.000 2.518 747 L HA 0.346 4.690 4.340 0.008 0.000 0.262 747 L C -0.846 176.023 176.870 -0.002 0.000 0.982 747 L CA -0.715 54.125 54.840 0.000 0.000 0.873 747 L CB 1.717 43.774 42.059 -0.003 0.000 1.198 747 L HN 0.422 nan 8.230 nan 0.000 0.427 748 Q N 2.756 122.557 119.800 0.001 0.000 2.316 748 Q HA 0.387 4.731 4.340 0.008 0.000 0.264 748 Q C -0.552 175.448 176.000 -0.000 0.000 0.987 748 Q CA -0.575 55.228 55.803 -0.000 0.000 0.852 748 Q CB 2.079 30.818 28.738 0.003 0.000 1.287 748 Q HN 0.592 nan 8.270 nan 0.000 0.448 749 D N 0.232 120.628 120.400 -0.006 0.000 3.103 749 D HA -0.098 4.547 4.640 0.008 0.000 0.211 749 D C -0.282 176.004 176.300 -0.023 0.000 1.100 749 D CA 1.684 55.679 54.000 -0.009 0.000 0.961 749 D CB -0.916 39.886 40.800 0.003 0.000 1.093 749 D HN 0.883 nan 8.370 nan 0.000 0.427 750 G N -1.284 107.499 108.800 -0.028 0.000 2.667 750 G HA2 0.528 4.493 3.960 0.008 0.000 0.294 750 G HA3 0.528 4.493 3.960 0.008 0.000 0.294 750 G C -0.021 174.855 174.900 -0.039 0.000 1.467 750 G CA 0.073 45.145 45.100 -0.047 0.000 0.852 750 G HN 0.373 nan 8.290 nan 0.000 0.521 751 S N -0.319 115.351 115.700 -0.050 0.000 2.393 751 S HA 0.791 5.266 4.470 0.008 0.000 0.255 751 S C 0.273 174.855 174.600 -0.031 0.000 1.210 751 S CA 0.702 58.879 58.200 -0.038 0.000 1.013 751 S CB 1.127 64.302 63.200 -0.042 0.000 1.055 751 S HN 1.505 nan 8.310 nan 0.000 0.483 752 Q N -1.044 118.740 119.800 -0.026 0.000 2.832 752 Q HA 0.683 5.027 4.340 0.008 0.000 0.322 752 Q C -1.703 174.288 176.000 -0.016 0.000 0.842 752 Q CA -1.138 54.653 55.803 -0.019 0.000 0.780 752 Q CB 0.943 29.673 28.738 -0.013 0.000 1.411 752 Q HN 1.432 nan 8.270 nan 0.000 0.490 753 A N 0.174 122.987 122.820 -0.011 0.000 2.567 753 A HA 0.617 4.942 4.320 0.008 0.000 0.291 753 A C -1.821 175.762 177.584 -0.002 0.000 1.048 753 A CA -0.590 51.443 52.037 -0.007 0.000 0.661 753 A CB 1.785 20.780 19.000 -0.007 0.000 1.288 753 A HN 0.696 nan 8.150 nan 0.000 0.424 754 E N -0.244 119.958 120.200 0.003 0.000 2.249 754 E HA 0.796 5.151 4.350 0.008 0.000 0.263 754 E C -0.318 176.290 176.600 0.013 0.000 0.950 754 E CA 0.079 56.484 56.400 0.007 0.000 0.827 754 E CB 1.932 31.637 29.700 0.009 0.000 1.220 754 E HN 1.132 nan 8.360 nan 0.000 0.411 755 S N -0.793 114.919 115.700 0.019 0.000 2.595 755 S HA 0.068 4.543 4.470 0.008 0.000 0.270 755 S C 0.390 175.014 174.600 0.040 0.000 1.145 755 S CA -0.754 57.465 58.200 0.031 0.000 0.825 755 S CB 0.806 64.027 63.200 0.035 0.000 1.107 755 S HN 0.653 nan 8.310 nan 0.000 0.461 756 E N 0.582 120.815 120.200 0.054 0.000 2.204 756 E HA -0.203 4.151 4.350 0.008 0.000 0.195 756 E C 1.546 178.189 176.600 0.072 0.000 0.990 756 E CA 1.145 57.582 56.400 0.063 0.000 0.821 756 E CB -0.359 29.386 29.700 0.075 0.000 0.750 756 E HN 0.677 nan 8.360 nan 0.000 0.477 757 Q N 0.649 120.497 119.800 0.080 0.000 2.187 757 Q HA 0.117 4.461 4.340 0.008 0.000 0.199 757 Q C 0.568 176.593 176.000 0.043 0.000 0.957 757 Q CA 1.110 56.965 55.803 0.086 0.000 0.857 757 Q CB 0.592 29.405 28.738 0.125 0.000 0.929 757 Q HN 0.372 nan 8.270 nan 0.000 0.453 758 G N -0.883 107.932 108.800 0.025 0.000 2.359 758 G HA2 0.027 3.992 3.960 0.008 0.000 0.314 758 G HA3 0.027 3.992 3.960 0.008 0.000 0.314 758 G C -1.923 172.970 174.900 -0.011 0.000 1.364 758 G CA -1.170 43.931 45.100 0.001 0.000 0.978 758 G HN 0.022 nan 8.290 nan 0.000 0.615 759 L N 0.391 121.606 121.223 -0.013 0.000 2.700 759 L HA 0.296 4.641 4.340 0.008 0.000 0.276 759 L C 0.785 177.640 176.870 -0.026 0.000 1.200 759 L CA 0.454 55.286 54.840 -0.014 0.000 0.951 759 L CB 0.392 42.444 42.059 -0.010 0.000 1.226 759 L HN 0.462 nan 8.230 nan 0.000 0.489 760 V N 6.264 126.166 119.914 -0.020 0.000 2.432 760 V HA 0.331 4.456 4.120 0.008 0.000 0.275 760 V C -0.020 176.066 176.094 -0.013 0.000 1.043 760 V CA -0.614 61.672 62.300 -0.023 0.000 0.925 760 V CB 1.564 33.376 31.823 -0.017 0.000 0.985 760 V HN 0.425 nan 8.190 nan 0.000 0.466 761 V N 5.154 125.066 119.914 -0.002 0.000 2.378 761 V HA 0.411 4.536 4.120 0.008 0.000 0.288 761 V C -0.026 176.050 176.094 -0.030 0.000 1.016 761 V CA -0.929 61.367 62.300 -0.008 0.000 0.840 761 V CB 1.662 33.490 31.823 0.008 0.000 0.994 761 V HN 0.846 nan 8.190 nan 0.000 0.431 762 K N 8.258 128.615 120.400 -0.071 0.000 2.227 762 K HA 0.512 4.836 4.320 0.008 0.000 0.280 762 K C -2.568 173.913 176.600 -0.198 0.000 1.041 762 K CA -1.821 54.377 56.287 -0.149 0.000 0.905 762 K CB 1.418 33.845 32.500 -0.122 0.000 1.068 762 K HN 0.368 nan 8.250 nan 0.000 0.470 763 P HA 0.126 nan 4.420 nan 0.000 0.284 763 P C -1.212 175.935 177.300 -0.256 0.000 1.253 763 P CA -0.437 62.473 63.100 -0.316 0.000 0.800 763 P CB 1.197 32.568 31.700 -0.549 0.000 0.961 764 Q N 1.968 121.684 119.800 -0.141 0.000 2.771 764 Q HA 0.416 4.760 4.340 0.008 0.000 0.239 764 Q C 0.629 176.591 176.000 -0.064 0.000 1.231 764 Q CA -0.347 55.396 55.803 -0.100 0.000 1.056 764 Q CB 0.069 28.769 28.738 -0.064 0.000 1.284 764 Q HN 0.844 nan 8.270 nan 0.000 0.558 765 G N 3.072 111.828 108.800 -0.073 0.000 3.391 765 G HA2 -0.263 3.702 3.960 0.008 0.000 0.675 765 G HA3 -0.263 3.702 3.960 0.008 0.000 0.675 765 G C -0.036 174.893 174.900 0.050 0.000 0.899 765 G CA -0.461 44.638 45.100 -0.002 0.000 0.755 765 G HN 0.833 nan 8.290 nan 0.000 0.475 766 N N 0.216 119.008 118.700 0.153 0.000 2.850 766 N HA 0.328 5.072 4.740 0.008 0.000 0.324 766 N C 0.899 176.524 175.510 0.192 0.000 1.182 766 N CA 0.962 54.187 53.050 0.290 0.000 1.177 766 N CB 0.433 39.273 38.487 0.588 0.000 1.424 766 N HN 1.487 nan 8.380 nan 0.000 0.536 767 A N 0.924 123.813 122.820 0.114 0.000 2.585 767 A HA 0.279 4.604 4.320 0.008 0.000 0.281 767 A C 0.139 177.755 177.584 0.054 0.000 0.945 767 A CA -0.638 51.443 52.037 0.073 0.000 1.031 767 A CB 0.032 19.062 19.000 0.050 0.000 1.221 767 A HN 0.439 nan 8.150 nan 0.000 0.496 768 L N 0.434 121.699 121.223 0.069 0.000 2.482 768 L HA 0.384 4.729 4.340 0.008 0.000 0.273 768 L C 0.795 177.687 176.870 0.037 0.000 1.228 768 L CA 0.647 55.516 54.840 0.049 0.000 0.827 768 L CB 1.210 43.311 42.059 0.069 0.000 1.099 768 L HN 0.347 nan 8.230 nan 0.000 0.494 769 T N 3.086 117.655 114.554 0.025 0.000 2.956 769 T HA 0.646 5.000 4.350 0.008 0.000 0.312 769 T C -1.081 173.629 174.700 0.016 0.000 1.151 769 T CA -0.489 61.623 62.100 0.020 0.000 1.024 769 T CB 0.901 69.778 68.868 0.015 0.000 1.140 769 T HN 0.335 nan 8.240 nan 0.000 0.473 770 I N 3.285 123.865 120.570 0.015 0.000 2.499 770 I HA 0.392 4.567 4.170 0.008 0.000 0.288 770 I C -0.191 175.933 176.117 0.011 0.000 1.048 770 I CA -0.683 60.624 61.300 0.013 0.000 1.062 770 I CB 2.698 40.707 38.000 0.015 0.000 1.238 770 I HN 0.571 nan 8.210 nan 0.000 0.426 771 T N 6.629 121.188 114.554 0.009 0.000 2.771 771 T HA 0.554 4.908 4.350 0.008 0.000 0.281 771 T C -0.104 174.601 174.700 0.008 0.000 0.982 771 T CA -0.508 61.597 62.100 0.008 0.000 0.978 771 T CB 0.770 69.643 68.868 0.007 0.000 0.930 771 T HN 0.249 nan 8.240 nan 0.000 0.447 772 L N 3.103 124.331 121.223 0.009 0.000 2.326 772 L HA 0.507 4.852 4.340 0.008 0.000 0.278 772 L C 1.564 178.439 176.870 0.008 0.000 1.092 772 L CA -0.807 54.038 54.840 0.008 0.000 0.810 772 L CB 0.122 42.187 42.059 0.010 0.000 1.153 772 L HN 0.961 nan 8.230 nan 0.000 0.439 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.561 4.556 0.008 0.000 0.296 773 H CA 0.000 56.053 56.048 0.008 0.000 1.023 773 H CB 0.000 29.766 29.762 0.007 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496