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_F 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 0.000 176.161 176.300 -0.231 0.000 1.140 1 M CA 0.000 55.169 55.300 -0.218 0.000 0.988 1 M CB 0.000 32.395 32.600 -0.342 0.000 1.302 2 K N 4.692 124.967 120.400 -0.208 0.000 2.339 2 K HA 0.373 4.689 4.320 -0.006 0.000 0.286 2 K C 0.094 176.542 176.600 -0.253 0.000 1.050 2 K CA 0.153 56.321 56.287 -0.198 0.000 0.956 2 K CB 0.726 33.139 32.500 -0.145 0.000 0.990 2 K HN 0.676 nan 8.250 nan 0.000 0.475 3 I N 0.265 120.665 120.570 -0.283 0.000 3.345 3 I HA -0.099 4.067 4.170 -0.006 0.000 0.258 3 I C 0.890 176.859 176.117 -0.246 0.000 1.134 3 I CA 0.172 61.267 61.300 -0.342 0.000 1.457 3 I CB 0.022 37.680 38.000 -0.571 0.000 1.425 3 I HN 0.501 nan 8.210 nan 0.000 0.461 4 S N 0.653 116.223 115.700 -0.216 0.000 2.603 4 S HA 0.120 4.586 4.470 -0.006 0.000 0.268 4 S C -0.278 174.254 174.600 -0.113 0.000 1.317 4 S CA -0.427 57.686 58.200 -0.146 0.000 1.012 4 S CB 1.282 64.399 63.200 -0.138 0.000 0.926 4 S HN 0.249 nan 8.310 nan 0.000 0.539 5 D N 0.651 121.005 120.400 -0.076 0.000 2.460 5 D HA 0.502 5.139 4.640 -0.006 0.000 0.268 5 D C 0.686 176.969 176.300 -0.028 0.000 1.153 5 D CA 0.799 54.769 54.000 -0.049 0.000 0.929 5 D CB -0.088 40.694 40.800 -0.030 0.000 1.015 5 D HN 1.126 nan 8.370 nan 0.000 0.502 6 G N 3.241 112.011 108.800 -0.051 0.000 2.782 6 G HA2 -0.347 3.609 3.960 -0.006 0.000 0.228 6 G HA3 -0.347 3.609 3.960 -0.006 0.000 0.228 6 G C 0.836 175.643 174.900 -0.155 0.000 1.372 6 G CA -0.059 45.004 45.100 -0.061 0.000 0.862 6 G HN 0.490 nan 8.290 nan 0.000 0.547 7 N N -0.759 117.754 118.700 -0.313 0.000 2.223 7 N HA -0.045 4.691 4.740 -0.006 0.000 0.185 7 N C 1.860 177.033 175.510 -0.562 0.000 1.016 7 N CA 2.752 55.444 53.050 -0.597 0.000 0.863 7 N CB -0.160 37.679 38.487 -1.081 0.000 0.983 7 N HN 0.612 nan 8.380 nan 0.000 0.429 8 W N -0.485 120.801 121.300 -0.023 0.000 2.907 8 W HA 0.407 5.063 4.660 -0.007 0.000 0.271 8 W C 0.175 176.682 176.519 -0.020 0.000 1.253 8 W CA -0.530 56.804 57.345 -0.018 0.000 1.501 8 W CB 0.387 29.837 29.460 -0.016 0.000 1.047 8 W HN -0.136 nan 8.180 nan 0.000 0.610 9 L N -0.229 121.072 121.223 0.130 0.000 2.230 9 L HA 0.628 4.964 4.340 -0.006 0.000 0.255 9 L C -0.449 176.426 176.870 0.009 0.000 1.039 9 L CA -1.351 53.533 54.840 0.075 0.000 0.846 9 L CB 1.838 43.940 42.059 0.071 0.000 1.419 9 L HN -0.352 nan 8.230 nan 0.000 0.435 10 I N 0.117 120.684 120.570 -0.004 0.000 2.569 10 I HA 0.239 4.405 4.170 -0.006 0.000 0.296 10 I C -0.415 175.671 176.117 -0.052 0.000 1.028 10 I CA -0.905 60.370 61.300 -0.041 0.000 1.082 10 I CB 1.889 39.869 38.000 -0.033 0.000 1.264 10 I HN 0.493 nan 8.210 nan 0.000 0.429 11 Q N 4.882 124.632 119.800 -0.082 0.000 2.310 11 Q HA 0.070 4.407 4.340 -0.006 0.000 0.315 11 Q C -2.257 173.705 176.000 -0.064 0.000 1.081 11 Q CA -1.087 54.668 55.803 -0.079 0.000 0.981 11 Q CB -0.174 28.498 28.738 -0.111 0.000 1.184 11 Q HN 0.235 nan 8.270 nan 0.000 0.389 12 P HA 0.022 nan 4.420 nan 0.000 0.265 12 P C 0.583 177.857 177.300 -0.043 0.000 1.193 12 P CA 0.834 63.911 63.100 -0.038 0.000 0.765 12 P CB 0.435 32.117 31.700 -0.030 0.000 0.823 13 G N 1.876 110.653 108.800 -0.037 0.000 2.179 13 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.260 13 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.260 13 G C -0.152 174.718 174.900 -0.049 0.000 0.977 13 G CA -0.323 44.755 45.100 -0.036 0.000 0.641 13 G HN 0.459 nan 8.290 nan 0.000 0.533 14 L N 0.920 122.104 121.223 -0.065 0.000 2.275 14 L HA 0.467 4.804 4.340 -0.006 0.000 0.288 14 L C -0.435 176.388 176.870 -0.077 0.000 1.046 14 L CA -0.923 53.865 54.840 -0.086 0.000 0.805 14 L CB 1.115 43.100 42.059 -0.124 0.000 1.193 14 L HN 0.013 nan 8.230 nan 0.000 0.426 15 N N 4.908 123.557 118.700 -0.085 0.000 2.392 15 N HA 0.597 5.333 4.740 -0.006 0.000 0.283 15 N C -0.913 174.537 175.510 -0.101 0.000 1.003 15 N CA -0.400 52.606 53.050 -0.073 0.000 0.892 15 N CB 2.453 40.907 38.487 -0.054 0.000 1.193 15 N HN 0.415 nan 8.380 nan 0.000 0.487 16 L N 2.658 123.824 121.223 -0.095 0.000 2.346 16 L HA 0.671 5.007 4.340 -0.006 0.000 0.274 16 L C 0.144 176.880 176.870 -0.224 0.000 1.007 16 L CA -1.049 53.693 54.840 -0.163 0.000 0.818 16 L CB 1.562 43.526 42.059 -0.159 0.000 1.284 16 L HN 0.435 nan 8.230 nan 0.000 0.424 17 I N -1.758 118.673 120.570 -0.231 0.000 2.828 17 I HA 0.633 4.800 4.170 -0.006 0.000 0.302 17 I C -1.115 174.878 176.117 -0.206 0.000 1.101 17 I CA -0.657 60.553 61.300 -0.151 0.000 1.031 17 I CB 2.592 40.617 38.000 0.041 0.000 1.231 17 I HN 0.504 nan 8.210 nan 0.000 0.427 18 H N 1.942 121.079 119.070 0.112 0.000 2.851 18 H HA 0.433 4.985 4.556 -0.006 0.000 0.372 18 H C -2.766 172.240 175.328 -0.537 0.000 1.158 18 H CA -1.822 54.048 56.048 -0.296 0.000 1.159 18 H CB 2.467 32.089 29.762 -0.233 0.000 1.757 18 H HN 0.410 nan 8.280 nan 0.000 0.546 19 P HA 0.124 nan 4.420 nan 0.000 0.276 19 P C 0.386 176.923 177.300 -1.272 0.000 1.264 19 P CA 0.041 62.538 63.100 -1.006 0.000 0.769 19 P CB 0.789 31.778 31.700 -1.184 0.000 0.840 20 L N 1.837 122.628 121.223 -0.720 0.000 2.781 20 L HA 0.287 4.624 4.340 -0.006 0.000 0.245 20 L C 0.991 177.803 176.870 -0.097 0.000 1.118 20 L CA 0.328 54.898 54.840 -0.451 0.000 0.918 20 L CB 0.485 42.446 42.059 -0.164 0.000 1.246 20 L HN 0.397 nan 8.230 nan 0.000 0.526 21 Q N 0.847 120.638 119.800 -0.015 0.000 2.313 21 Q HA 0.286 4.622 4.340 -0.006 0.000 0.260 21 Q C -1.408 174.805 176.000 0.355 0.000 0.972 21 Q CA -0.341 55.608 55.803 0.244 0.000 0.886 21 Q CB 3.016 31.840 28.738 0.144 0.000 1.373 21 Q HN -0.146 nan 8.270 nan 0.000 0.416 22 V N 5.528 125.716 119.914 0.456 0.000 2.485 22 V HA -0.007 4.109 4.120 -0.006 0.000 0.287 22 V C 0.588 176.883 176.094 0.335 0.000 1.022 22 V CA 0.804 63.352 62.300 0.414 0.000 1.067 22 V CB 0.195 32.187 31.823 0.282 0.000 0.967 22 V HN 0.824 nan 8.190 nan 0.000 0.479 23 F N 3.633 123.724 119.950 0.233 0.000 2.317 23 F HA 0.324 4.850 4.527 -0.002 0.000 0.290 23 F C 1.029 176.935 175.800 0.176 0.000 1.075 23 F CA 0.724 58.833 58.000 0.181 0.000 1.380 23 F CB 0.556 39.657 39.000 0.169 0.000 1.093 23 F HN 0.548 nan 8.300 nan 0.000 0.524 24 E N 0.060 120.381 120.200 0.202 0.000 2.372 24 E HA 0.496 4.843 4.350 -0.006 0.000 0.279 24 E C -1.937 174.845 176.600 0.303 0.000 0.946 24 E CA -0.719 55.754 56.400 0.122 0.000 0.769 24 E CB 2.391 32.175 29.700 0.140 0.000 1.230 24 E HN -0.147 nan 8.360 nan 0.000 0.442 25 V N 2.723 122.749 119.914 0.187 0.000 2.604 25 V HA 0.531 4.647 4.120 -0.006 0.000 0.305 25 V C -0.631 175.565 176.094 0.170 0.000 1.043 25 V CA -0.653 61.754 62.300 0.177 0.000 0.888 25 V CB 1.800 33.688 31.823 0.108 0.000 0.995 25 V HN 0.684 nan 8.190 nan 0.000 0.429 26 E N 2.623 122.931 120.200 0.180 0.000 2.290 26 E HA 0.375 4.721 4.350 -0.006 0.000 0.274 26 E C -1.232 175.448 176.600 0.132 0.000 0.889 26 E CA -0.631 55.867 56.400 0.163 0.000 0.760 26 E CB 2.265 32.107 29.700 0.236 0.000 1.206 26 E HN 0.757 nan 8.360 nan 0.000 0.419 27 Q N 3.045 122.912 119.800 0.112 0.000 2.279 27 Q HA 0.180 4.516 4.340 -0.006 0.000 0.256 27 Q C -0.991 175.069 176.000 0.100 0.000 0.937 27 Q CA -0.110 55.760 55.803 0.112 0.000 0.933 27 Q CB 0.980 29.776 28.738 0.096 0.000 1.189 27 Q HN 0.456 nan 8.270 nan 0.000 0.417 28 Q N 4.086 123.948 119.800 0.103 0.000 2.523 28 Q HA 0.126 4.463 4.340 -0.006 0.000 0.251 28 Q C -0.767 175.283 176.000 0.084 0.000 1.033 28 Q CA -0.493 55.359 55.803 0.081 0.000 0.746 28 Q CB 1.123 29.900 28.738 0.065 0.000 1.189 28 Q HN 0.891 nan 8.270 nan 0.000 0.508 29 D N 2.296 122.741 120.400 0.076 0.000 4.049 29 D HA -0.297 4.339 4.640 -0.006 0.000 0.154 29 D C 0.599 176.965 176.300 0.110 0.000 0.764 29 D CA 2.534 56.581 54.000 0.077 0.000 1.058 29 D CB -0.617 40.221 40.800 0.063 0.000 0.472 29 D HN 0.715 nan 8.370 nan 0.000 0.449 30 N N 1.698 120.477 118.700 0.132 0.000 2.370 30 N HA 0.073 4.809 4.740 -0.006 0.000 0.198 30 N C -0.376 175.347 175.510 0.354 0.000 1.156 30 N CA 0.450 53.618 53.050 0.197 0.000 0.839 30 N CB -0.017 38.571 38.487 0.168 0.000 0.989 30 N HN 0.525 nan 8.380 nan 0.000 0.468 31 E N 0.071 120.435 120.200 0.274 0.000 2.256 31 E HA 0.351 4.698 4.350 -0.006 0.000 0.267 31 E C -1.040 175.690 176.600 0.218 0.000 0.892 31 E CA -0.711 55.834 56.400 0.241 0.000 0.775 31 E CB 2.440 32.206 29.700 0.110 0.000 1.207 31 E HN 0.064 nan 8.360 nan 0.000 0.420 32 M N 2.715 122.421 119.600 0.177 0.000 2.243 32 M HA 0.357 4.833 4.480 -0.006 0.000 0.324 32 M C -1.728 174.679 176.300 0.177 0.000 1.031 32 M CA -0.812 54.613 55.300 0.209 0.000 0.949 32 M CB 1.372 34.144 32.600 0.288 0.000 1.615 32 M HN 0.273 nan 8.290 nan 0.000 0.430 33 V N 5.640 125.621 119.914 0.110 0.000 2.417 33 V HA 0.522 4.638 4.120 -0.006 0.000 0.291 33 V C -0.612 175.474 176.094 -0.014 0.000 1.024 33 V CA -0.733 61.559 62.300 -0.013 0.000 0.861 33 V CB 1.670 33.424 31.823 -0.115 0.000 0.985 33 V HN 0.656 nan 8.190 nan 0.000 0.436 34 V N 5.291 125.198 119.914 -0.013 0.000 2.409 34 V HA 0.434 4.550 4.120 -0.006 0.000 0.291 34 V C -0.961 175.119 176.094 -0.024 0.000 1.020 34 V CA -0.807 61.548 62.300 0.092 0.000 0.848 34 V CB 1.316 33.321 31.823 0.303 0.000 0.990 34 V HN 0.734 nan 8.190 nan 0.000 0.430 35 Y N 2.932 123.397 120.300 0.274 0.000 2.327 35 Y HA 0.670 5.215 4.550 -0.008 0.000 0.336 35 Y C 0.559 176.665 175.900 0.342 0.000 1.035 35 Y CA -0.340 57.934 58.100 0.291 0.000 1.165 35 Y CB 1.417 40.068 38.460 0.318 0.000 1.181 35 Y HN 0.715 nan 8.280 nan 0.000 0.494 36 A N 2.434 125.502 122.820 0.413 0.000 2.353 36 A HA 0.847 5.163 4.320 -0.006 0.000 0.299 36 A C -0.752 176.973 177.584 0.235 0.000 1.089 36 A CA -0.630 51.588 52.037 0.302 0.000 0.736 36 A CB 0.539 19.615 19.000 0.127 0.000 1.195 36 A HN 0.810 nan 8.150 nan 0.000 0.447 37 A N 3.293 126.221 122.820 0.179 0.000 2.286 37 A HA 0.806 5.123 4.320 -0.006 0.000 0.286 37 A C -2.040 175.594 177.584 0.083 0.000 1.097 37 A CA -1.649 50.463 52.037 0.125 0.000 0.821 37 A CB 0.378 19.432 19.000 0.091 0.000 1.076 37 A HN 0.511 nan 8.150 nan 0.000 0.490 38 P HA 0.144 nan 4.420 nan 0.000 0.257 38 P C -0.240 177.070 177.300 0.015 0.000 1.325 38 P CA 0.285 63.437 63.100 0.085 0.000 0.850 38 P CB -0.143 31.644 31.700 0.145 0.000 1.324 39 R N -2.726 117.770 120.500 -0.008 0.000 2.756 39 R HA 0.422 4.758 4.340 -0.006 0.000 0.273 39 R C -1.511 174.760 176.300 -0.049 0.000 1.030 39 R CA -0.856 55.210 56.100 -0.058 0.000 0.887 39 R CB -0.395 29.842 30.300 -0.107 0.000 1.274 39 R HN -0.369 nan 8.270 nan 0.000 0.461 40 D N 1.451 121.785 120.400 -0.110 0.000 2.363 40 D HA 0.116 4.753 4.640 -0.006 0.000 0.263 40 D C 0.456 176.753 176.300 -0.005 0.000 1.258 40 D CA -0.054 53.904 54.000 -0.070 0.000 0.907 40 D CB 1.399 42.118 40.800 -0.136 0.000 1.107 40 D HN 0.480 nan 8.370 nan 0.000 0.495 41 V N 1.972 121.954 119.914 0.113 0.000 2.940 41 V HA 0.338 4.455 4.120 -0.006 0.000 0.366 41 V C 1.592 177.845 176.094 0.265 0.000 1.353 41 V CA -0.434 61.988 62.300 0.203 0.000 1.232 41 V CB -0.061 31.839 31.823 0.128 0.000 1.278 41 V HN 0.320 nan 8.190 nan 0.000 0.546 42 R N 0.956 121.586 120.500 0.216 0.000 2.092 42 R HA 0.085 4.422 4.340 -0.006 0.000 0.231 42 R C 0.495 176.911 176.300 0.193 0.000 1.119 42 R CA 1.156 57.370 56.100 0.189 0.000 0.970 42 R CB 0.165 30.538 30.300 0.122 0.000 0.864 42 R HN 0.690 nan 8.270 nan 0.000 0.440 43 E N 0.157 120.499 120.200 0.237 0.000 2.277 43 E HA 0.142 4.489 4.350 -0.006 0.000 0.274 43 E C 0.525 177.214 176.600 0.147 0.000 1.022 43 E CA -0.460 56.053 56.400 0.189 0.000 0.853 43 E CB 1.172 31.008 29.700 0.227 0.000 1.086 43 E HN 0.079 nan 8.360 nan 0.000 0.397 44 R N 0.838 121.375 120.500 0.062 0.000 2.120 44 R HA -0.119 4.217 4.340 -0.006 0.000 0.234 44 R C 2.067 178.325 176.300 -0.070 0.000 1.123 44 R CA 1.133 57.245 56.100 0.020 0.000 0.975 44 R CB -0.423 29.882 30.300 0.008 0.000 0.866 44 R HN 0.507 nan 8.270 nan 0.000 0.446 45 T N -0.382 114.059 114.554 -0.189 0.000 2.897 45 T HA -0.147 4.200 4.350 -0.006 0.000 0.271 45 T C 0.803 175.174 174.700 -0.548 0.000 1.084 45 T CA 1.168 63.007 62.100 -0.435 0.000 1.123 45 T CB -0.118 68.375 68.868 -0.625 0.000 0.865 45 T HN 0.490 nan 8.240 nan 0.000 0.496 46 W N 0.657 121.957 121.300 -0.000 0.000 3.127 46 W HA 0.344 4.997 4.660 -0.011 0.000 0.344 46 W C 1.287 177.784 176.519 -0.036 0.000 1.151 46 W CA -0.713 56.626 57.345 -0.010 0.000 1.765 46 W CB 0.414 29.876 29.460 0.004 0.000 1.085 46 W HN 0.141 nan 8.180 nan 0.000 0.596 47 Q N 1.807 121.661 119.800 0.089 0.000 2.642 47 Q HA 0.247 4.584 4.340 -0.006 0.000 0.319 47 Q C -0.512 175.460 176.000 -0.046 0.000 1.030 47 Q CA 0.174 55.968 55.803 -0.016 0.000 0.943 47 Q CB -0.505 28.212 28.738 -0.034 0.000 1.323 47 Q HN 0.269 nan 8.270 nan 0.000 0.419 48 L N -5.699 115.522 121.223 -0.004 0.000 2.940 48 L HA 0.504 4.841 4.340 -0.006 0.000 0.270 48 L C -1.062 175.824 176.870 0.028 0.000 1.030 48 L CA -1.184 53.647 54.840 -0.015 0.000 0.928 48 L CB 1.110 43.149 42.059 -0.033 0.000 1.506 48 L HN -0.186 nan 8.230 nan 0.000 0.405 49 D N -0.195 120.217 120.400 0.020 0.000 2.699 49 D HA -0.139 4.498 4.640 -0.006 0.000 0.239 49 D C -0.251 176.090 176.300 0.067 0.000 1.136 49 D CA 1.802 55.829 54.000 0.046 0.000 0.668 49 D CB -0.722 40.114 40.800 0.060 0.000 1.060 49 D HN 1.050 nan 8.370 nan 0.000 0.429 50 T N -1.270 113.309 114.554 0.041 0.000 2.982 50 T HA 0.529 4.876 4.350 -0.006 0.000 0.321 50 T C -2.578 172.126 174.700 0.006 0.000 1.229 50 T CA -1.291 60.829 62.100 0.032 0.000 1.044 50 T CB 1.739 70.630 68.868 0.038 0.000 1.184 50 T HN -0.243 nan 8.240 nan 0.000 0.477 51 P HA 0.447 nan 4.420 nan 0.000 0.271 51 P C -1.211 176.035 177.300 -0.089 0.000 1.238 51 P CA -0.726 62.337 63.100 -0.063 0.000 0.794 51 P CB 0.391 31.986 31.700 -0.175 0.000 0.959 52 L N 1.138 122.279 121.223 -0.137 0.000 2.543 52 L HA 0.400 4.737 4.340 -0.006 0.000 0.265 52 L C -1.340 175.468 176.870 -0.104 0.000 0.945 52 L CA -0.614 54.195 54.840 -0.050 0.000 0.869 52 L CB 1.224 43.288 42.059 0.008 0.000 1.294 52 L HN 0.293 nan 8.230 nan 0.000 0.405 53 F N 1.634 121.618 119.950 0.056 0.000 2.385 53 F HA 0.386 4.909 4.527 -0.007 0.000 0.336 53 F C 0.774 176.620 175.800 0.078 0.000 1.100 53 F CA -0.129 57.896 58.000 0.041 0.000 1.116 53 F CB 1.897 40.884 39.000 -0.022 0.000 1.166 53 F HN 0.285 nan 8.300 nan 0.000 0.511 54 T N 5.203 119.878 114.554 0.202 0.000 2.874 54 T HA 0.494 4.841 4.350 -0.006 0.000 0.321 54 T C -0.538 174.160 174.700 -0.004 0.000 1.075 54 T CA -0.502 61.615 62.100 0.028 0.000 0.966 54 T CB 0.154 69.034 68.868 0.021 0.000 1.001 54 T HN 0.148 nan 8.240 nan 0.000 0.476 55 L N 3.509 124.703 121.223 -0.047 0.000 2.275 55 L HA 0.575 4.912 4.340 -0.006 0.000 0.288 55 L C 0.465 177.174 176.870 -0.268 0.000 1.046 55 L CA -0.374 54.376 54.840 -0.150 0.000 0.805 55 L CB 0.999 43.025 42.059 -0.056 0.000 1.193 55 L HN 0.433 nan 8.230 nan 0.000 0.426 56 R N 3.174 123.452 120.500 -0.369 0.000 2.437 56 R HA 0.615 4.952 4.340 -0.006 0.000 0.310 56 R C -1.590 174.461 176.300 -0.415 0.000 0.955 56 R CA -0.457 55.482 56.100 -0.268 0.000 0.851 56 R CB 0.861 31.056 30.300 -0.175 0.000 1.161 56 R HN 0.379 nan 8.270 nan 0.000 0.446 57 F N 5.752 125.596 119.950 -0.177 0.000 2.469 57 F HA 0.561 5.085 4.527 -0.005 0.000 0.332 57 F C -0.330 175.010 175.800 -0.766 0.000 1.103 57 F CA -0.702 57.007 58.000 -0.485 0.000 0.979 57 F CB 1.422 40.009 39.000 -0.689 0.000 1.137 57 F HN 0.464 nan 8.300 nan 0.000 0.463 58 F N -0.318 119.205 119.950 -0.712 0.000 2.713 58 F HA 0.720 5.243 4.527 -0.007 0.000 0.311 58 F C -1.140 174.700 175.800 0.066 0.000 1.141 58 F CA -1.505 56.308 58.000 -0.312 0.000 0.939 58 F CB 1.513 40.465 39.000 -0.081 0.000 1.325 58 F HN 0.288 nan 8.300 nan 0.000 0.453 59 S N 1.967 117.852 115.700 0.307 0.000 2.707 59 S HA 0.541 5.007 4.470 -0.006 0.000 0.303 59 S C -2.179 172.496 174.600 0.124 0.000 1.132 59 S CA -1.404 56.889 58.200 0.155 0.000 1.046 59 S CB 1.568 64.923 63.200 0.258 0.000 1.004 59 S HN 0.627 nan 8.310 nan 0.000 0.483 60 P HA 0.132 nan 4.420 nan 0.000 0.240 60 P C -0.473 176.751 177.300 -0.127 0.000 1.190 60 P CA 0.517 63.604 63.100 -0.021 0.000 0.781 60 P CB 0.301 31.921 31.700 -0.135 0.000 0.931 61 Q N -0.697 118.978 119.800 -0.208 0.000 2.527 61 Q HA 0.157 4.494 4.340 -0.006 0.000 0.280 61 Q C -0.536 175.381 176.000 -0.137 0.000 0.977 61 Q CA -0.659 55.037 55.803 -0.178 0.000 0.837 61 Q CB 1.537 30.111 28.738 -0.275 0.000 1.454 61 Q HN 0.007 nan 8.270 nan 0.000 0.387 62 E N 0.264 120.409 120.200 -0.091 0.000 2.608 62 E HA 0.018 4.364 4.350 -0.006 0.000 0.259 62 E C 0.662 177.214 176.600 -0.081 0.000 0.951 62 E CA 1.921 58.278 56.400 -0.071 0.000 0.945 62 E CB 0.231 29.897 29.700 -0.058 0.000 0.916 62 E HN 0.818 nan 8.360 nan 0.000 0.477 63 G N 4.177 112.943 108.800 -0.057 0.000 2.162 63 G HA2 -0.260 3.696 3.960 -0.006 0.000 0.260 63 G HA3 -0.260 3.696 3.960 -0.006 0.000 0.260 63 G C 0.335 175.207 174.900 -0.047 0.000 0.976 63 G CA 0.415 45.490 45.100 -0.041 0.000 0.655 63 G HN 0.517 nan 8.290 nan 0.000 0.533 64 I N 0.812 121.328 120.570 -0.091 0.000 2.418 64 I HA 0.443 4.610 4.170 -0.006 0.000 0.287 64 I C -0.086 176.011 176.117 -0.035 0.000 1.008 64 I CA -1.078 60.147 61.300 -0.126 0.000 1.104 64 I CB 2.108 39.861 38.000 -0.412 0.000 1.264 64 I HN -0.137 nan 8.210 nan 0.000 0.438 65 V N 5.353 125.293 119.914 0.044 0.000 2.370 65 V HA 0.460 4.577 4.120 -0.006 0.000 0.283 65 V C 0.709 176.761 176.094 -0.071 0.000 1.023 65 V CA -0.560 61.788 62.300 0.080 0.000 0.857 65 V CB 1.446 33.430 31.823 0.268 0.000 0.985 65 V HN 0.879 nan 8.190 nan 0.000 0.443 66 G N 3.758 112.318 108.800 -0.399 0.000 2.370 66 G HA2 0.521 4.477 3.960 -0.006 0.000 0.272 66 G HA3 0.521 4.477 3.960 -0.006 0.000 0.272 66 G C -0.779 173.643 174.900 -0.797 0.000 1.208 66 G CA -0.215 44.286 45.100 -0.999 0.000 0.856 66 G HN 0.557 nan 8.290 nan 0.000 0.500 67 V N 3.223 122.686 119.914 -0.752 0.000 2.483 67 V HA 0.514 4.630 4.120 -0.006 0.000 0.297 67 V C 0.099 175.888 176.094 -0.509 0.000 1.027 67 V CA -0.875 61.001 62.300 -0.706 0.000 0.855 67 V CB 1.576 32.895 31.823 -0.840 0.000 0.995 67 V HN 0.828 nan 8.190 nan 0.000 0.424 68 R N 5.312 125.626 120.500 -0.310 0.000 2.409 68 R HA 0.693 5.029 4.340 -0.006 0.000 0.313 68 R C -1.483 174.773 176.300 -0.073 0.000 0.953 68 R CA -0.545 55.511 56.100 -0.073 0.000 0.849 68 R CB 1.237 31.528 30.300 -0.016 0.000 1.171 68 R HN 0.722 nan 8.270 nan 0.000 0.458 69 I N 4.917 125.533 120.570 0.077 0.000 2.362 69 I HA 0.290 4.456 4.170 -0.006 0.000 0.289 69 I C -0.293 175.963 176.117 0.232 0.000 0.994 69 I CA -0.553 60.817 61.300 0.117 0.000 1.158 69 I CB 1.756 39.829 38.000 0.121 0.000 1.315 69 I HN 0.664 nan 8.210 nan 0.000 0.451 70 E N 5.378 125.713 120.200 0.225 0.000 2.340 70 E HA 0.392 4.739 4.350 -0.006 0.000 0.273 70 E C -0.798 175.888 176.600 0.143 0.000 0.891 70 E CA -0.726 55.810 56.400 0.226 0.000 0.757 70 E CB 2.561 32.377 29.700 0.193 0.000 1.231 70 E HN 0.626 nan 8.360 nan 0.000 0.439 71 H N 2.121 121.124 119.070 -0.111 0.000 2.560 71 H HA 0.223 4.775 4.556 -0.006 0.000 0.324 71 H C -0.373 174.866 175.328 -0.149 0.000 1.329 71 H CA -0.167 55.615 56.048 -0.443 0.000 2.007 71 H CB 0.234 29.386 29.762 -1.016 0.000 1.551 71 H HN 0.400 nan 8.280 nan 0.000 0.623 72 F N 1.972 121.620 119.950 -0.503 0.000 2.396 72 F HA 0.190 4.713 4.527 -0.006 0.000 0.343 72 F C 1.325 177.049 175.800 -0.127 0.000 1.104 72 F CA -0.235 57.545 58.000 -0.367 0.000 1.161 72 F CB 1.364 40.174 39.000 -0.316 0.000 1.146 72 F HN 0.422 nan 8.300 nan 0.000 0.522 73 Q N 1.500 121.350 119.800 0.084 0.000 2.319 73 Q HA 0.131 4.468 4.340 -0.006 0.000 0.202 73 Q C 1.857 177.863 176.000 0.011 0.000 0.896 73 Q CA 0.330 56.151 55.803 0.030 0.000 0.942 73 Q CB 0.412 29.144 28.738 -0.011 0.000 1.083 73 Q HN 0.990 nan 8.270 nan 0.000 0.510 74 G N 0.479 109.275 108.800 -0.007 0.000 2.920 74 G HA2 0.232 4.188 3.960 -0.006 0.000 0.208 74 G HA3 0.232 4.188 3.960 -0.006 0.000 0.208 74 G C 0.504 175.412 174.900 0.015 0.000 1.159 74 G CA 0.269 45.349 45.100 -0.033 0.000 0.784 74 G HN 0.326 nan 8.290 nan 0.000 0.535 75 A N -0.117 122.748 122.820 0.076 0.000 2.406 75 A HA 0.473 4.789 4.320 -0.006 0.000 0.243 75 A C 1.577 179.210 177.584 0.082 0.000 1.082 75 A CA -0.427 51.671 52.037 0.102 0.000 0.786 75 A CB 0.406 19.505 19.000 0.164 0.000 1.029 75 A HN 0.169 nan 8.150 nan 0.000 0.495 76 L N 0.529 121.801 121.223 0.081 0.000 2.012 76 L HA -0.212 4.125 4.340 -0.006 0.000 0.210 76 L C 0.463 177.385 176.870 0.086 0.000 1.073 76 L CA 1.771 56.653 54.840 0.070 0.000 0.748 76 L CB -0.766 41.332 42.059 0.065 0.000 0.891 76 L HN 0.955 nan 8.230 nan 0.000 0.431 77 N N 1.339 120.114 118.700 0.125 0.000 2.584 77 N HA -0.182 4.555 4.740 -0.006 0.000 0.291 77 N C -0.619 174.970 175.510 0.132 0.000 1.203 77 N CA -0.099 53.048 53.050 0.162 0.000 0.735 77 N CB -0.850 37.742 38.487 0.176 0.000 0.936 77 N HN 0.367 nan 8.380 nan 0.000 0.549 78 N N 0.255 119.009 118.700 0.091 0.000 2.459 78 N HA 0.464 5.200 4.740 -0.006 0.000 0.288 78 N C 0.918 176.365 175.510 -0.106 0.000 1.186 78 N CA -0.185 52.886 53.050 0.035 0.000 0.917 78 N CB 1.088 39.590 38.487 0.025 0.000 1.219 78 N HN 0.382 nan 8.380 nan 0.000 0.525 79 G N 0.372 109.036 108.800 -0.226 0.000 2.631 79 G HA2 0.224 4.180 3.960 -0.006 0.000 0.271 79 G HA3 0.224 4.180 3.960 -0.006 0.000 0.271 79 G C -2.320 172.367 174.900 -0.355 0.000 1.302 79 G CA -0.443 44.324 45.100 -0.555 0.000 1.002 79 G HN 0.335 nan 8.290 nan 0.000 0.519 80 P HA 0.242 nan 4.420 nan 0.000 0.278 80 P C -0.872 175.959 177.300 -0.782 0.000 1.258 80 P CA -0.232 62.541 63.100 -0.545 0.000 0.811 80 P CB 1.185 32.583 31.700 -0.504 0.000 1.063 81 H N -0.682 118.179 119.070 -0.348 0.000 2.670 81 H HA 0.294 4.847 4.556 -0.006 0.000 0.361 81 H C 0.006 175.137 175.328 -0.329 0.000 1.169 81 H CA -0.297 55.573 56.048 -0.297 0.000 1.198 81 H CB 0.336 30.016 29.762 -0.136 0.000 1.700 81 H HN 0.352 nan 8.280 nan 0.000 0.542 82 Y N 1.919 122.161 120.300 -0.096 0.000 2.578 82 Y HA 0.025 4.571 4.550 -0.006 0.000 0.339 82 Y C -1.410 174.364 175.900 -0.209 0.000 1.231 82 Y CA -1.993 56.002 58.100 -0.174 0.000 1.461 82 Y CB 0.035 38.423 38.460 -0.120 0.000 1.323 82 Y HN 0.339 nan 8.280 nan 0.000 0.590 83 P HA 0.066 nan 4.420 nan 0.000 0.226 83 P C -0.856 176.305 177.300 -0.233 0.000 1.783 83 P CA -0.062 62.931 63.100 -0.179 0.000 0.980 83 P CB -0.253 31.267 31.700 -0.300 0.000 1.967 84 L N 2.184 123.268 121.223 -0.232 0.000 2.397 84 L HA 0.195 4.531 4.340 -0.006 0.000 0.271 84 L C 0.997 177.754 176.870 -0.189 0.000 1.148 84 L CA 0.254 54.858 54.840 -0.394 0.000 0.825 84 L CB -0.286 41.522 42.059 -0.418 0.000 1.117 84 L HN 0.105 nan 8.230 nan 0.000 0.456 85 N N 4.333 122.934 118.700 -0.165 0.000 2.482 85 N HA 0.181 4.917 4.740 -0.006 0.000 0.242 85 N C -0.615 174.969 175.510 0.123 0.000 1.100 85 N CA -0.235 52.811 53.050 -0.007 0.000 0.946 85 N CB 0.720 39.197 38.487 -0.017 0.000 1.227 85 N HN 0.278 nan 8.380 nan 0.000 0.508 86 I N 3.691 124.321 120.570 0.100 0.000 2.330 86 I HA 0.310 4.477 4.170 -0.006 0.000 0.289 86 I C 0.533 176.703 176.117 0.089 0.000 1.001 86 I CA -0.595 60.790 61.300 0.142 0.000 1.193 86 I CB 0.683 38.773 38.000 0.149 0.000 1.345 86 I HN 0.118 nan 8.210 nan 0.000 0.461 87 L N 5.630 126.898 121.223 0.075 0.000 2.375 87 L HA 0.318 4.655 4.340 -0.006 0.000 0.271 87 L C 1.334 178.249 176.870 0.076 0.000 1.107 87 L CA -0.501 54.371 54.840 0.055 0.000 0.806 87 L CB 0.876 42.952 42.059 0.028 0.000 1.146 87 L HN 0.470 nan 8.230 nan 0.000 0.447 88 Q N 1.182 121.018 119.800 0.059 0.000 2.396 88 Q HA 0.002 4.339 4.340 -0.006 0.000 0.209 88 Q C -0.014 176.024 176.000 0.063 0.000 0.906 88 Q CA 0.485 56.326 55.803 0.063 0.000 0.927 88 Q CB 0.302 29.066 28.738 0.043 0.000 1.069 88 Q HN 0.781 nan 8.270 nan 0.000 0.523 89 D N -1.236 119.194 120.400 0.050 0.000 2.720 89 D HA 0.100 4.736 4.640 -0.006 0.000 0.285 89 D C -0.007 176.313 176.300 0.032 0.000 1.359 89 D CA -0.455 53.569 54.000 0.040 0.000 0.818 89 D CB -0.124 40.692 40.800 0.025 0.000 1.108 89 D HN -0.273 nan 8.370 nan 0.000 0.474 90 V N 0.962 120.902 119.914 0.044 0.000 2.673 90 V HA -0.044 4.073 4.120 -0.006 0.000 0.303 90 V C 0.990 177.092 176.094 0.013 0.000 1.046 90 V CA -0.089 62.225 62.300 0.024 0.000 1.126 90 V CB 0.702 32.545 31.823 0.034 0.000 0.934 90 V HN 0.185 nan 8.190 nan 0.000 0.487 91 K N 4.216 124.607 120.400 -0.015 0.000 2.412 91 K HA 0.386 4.702 4.320 -0.006 0.000 0.284 91 K C -0.508 176.046 176.600 -0.077 0.000 1.046 91 K CA -0.158 56.108 56.287 -0.036 0.000 0.999 91 K CB 0.629 33.105 32.500 -0.041 0.000 0.941 91 K HN 0.651 nan 8.250 nan 0.000 0.474 92 V N 0.276 120.125 119.914 -0.107 0.000 3.078 92 V HA 0.599 4.716 4.120 -0.006 0.000 0.311 92 V C -0.680 175.271 176.094 -0.239 0.000 1.138 92 V CA -0.807 61.345 62.300 -0.246 0.000 1.007 92 V CB 2.089 33.677 31.823 -0.393 0.000 1.045 92 V HN 0.645 nan 8.190 nan 0.000 0.432 93 T N 3.500 117.854 114.554 -0.335 0.000 2.856 93 T HA 0.763 5.109 4.350 -0.006 0.000 0.283 93 T C -0.558 173.972 174.700 -0.283 0.000 1.008 93 T CA -0.226 61.733 62.100 -0.235 0.000 0.997 93 T CB 1.280 70.041 68.868 -0.179 0.000 0.992 93 T HN 0.698 nan 8.240 nan 0.000 0.454 94 I N 3.204 123.693 120.570 -0.136 0.000 2.478 94 I HA 0.359 4.526 4.170 -0.006 0.000 0.287 94 I C -0.333 175.767 176.117 -0.029 0.000 1.042 94 I CA -0.795 60.474 61.300 -0.053 0.000 1.067 94 I CB 1.844 39.876 38.000 0.054 0.000 1.233 94 I HN 0.666 nan 8.210 nan 0.000 0.431 95 E N 4.863 125.047 120.200 -0.027 0.000 2.210 95 E HA 0.403 4.750 4.350 -0.006 0.000 0.266 95 E C -1.177 175.428 176.600 0.009 0.000 0.883 95 E CA -0.923 55.470 56.400 -0.011 0.000 0.761 95 E CB 2.554 32.242 29.700 -0.019 0.000 1.156 95 E HN 0.381 nan 8.360 nan 0.000 0.412 96 N N 2.523 121.234 118.700 0.018 0.000 2.696 96 N HA 0.127 4.864 4.740 -0.006 0.000 0.246 96 N C -1.150 174.369 175.510 0.016 0.000 1.057 96 N CA -0.193 52.871 53.050 0.024 0.000 0.867 96 N CB 1.173 39.679 38.487 0.031 0.000 1.141 96 N HN 0.637 nan 8.380 nan 0.000 0.517 97 T N -0.618 113.948 114.554 0.019 0.000 2.889 97 T HA 0.324 4.671 4.350 -0.006 0.000 0.278 97 T C 1.047 175.724 174.700 -0.038 0.000 0.995 97 T CA -0.447 61.651 62.100 -0.003 0.000 0.966 97 T CB 1.179 70.055 68.868 0.013 0.000 1.237 97 T HN 0.299 nan 8.240 nan 0.000 0.591 98 E N -0.271 119.891 120.200 -0.064 0.000 2.150 98 E HA -0.031 4.316 4.350 -0.006 0.000 0.193 98 E C 2.246 178.757 176.600 -0.149 0.000 0.985 98 E CA 1.091 57.440 56.400 -0.085 0.000 0.814 98 E CB 0.013 29.668 29.700 -0.075 0.000 0.752 98 E HN 0.604 nan 8.360 nan 0.000 0.466 99 R N -1.774 118.569 120.500 -0.262 0.000 2.156 99 R HA 0.186 4.523 4.340 -0.006 0.000 0.207 99 R C -0.215 175.710 176.300 -0.626 0.000 1.040 99 R CA 0.556 56.325 56.100 -0.551 0.000 1.013 99 R CB 0.439 30.187 30.300 -0.921 0.000 0.931 99 R HN 0.117 nan 8.270 nan 0.000 0.465 100 Y N -1.655 118.606 120.300 -0.065 0.000 2.562 100 Y HA 0.583 5.141 4.550 0.013 0.000 0.345 100 Y C -0.883 174.958 175.900 -0.098 0.000 1.045 100 Y CA -1.584 56.455 58.100 -0.102 0.000 1.028 100 Y CB 2.043 40.435 38.460 -0.115 0.000 1.297 100 Y HN -0.166 nan 8.280 nan 0.000 0.463 101 A N 1.981 124.833 122.820 0.054 0.000 2.291 101 A HA 0.632 4.948 4.320 -0.006 0.000 0.311 101 A C -1.075 176.433 177.584 -0.127 0.000 1.224 101 A CA -0.536 51.485 52.037 -0.026 0.000 0.821 101 A CB 1.004 19.982 19.000 -0.036 0.000 1.172 101 A HN 0.757 nan 8.150 nan 0.000 0.494 102 E N 2.194 122.333 120.200 -0.102 0.000 2.234 102 E HA 0.580 4.927 4.350 -0.006 0.000 0.266 102 E C -1.958 174.588 176.600 -0.090 0.000 0.877 102 E CA -0.489 55.813 56.400 -0.163 0.000 0.758 102 E CB 1.304 30.900 29.700 -0.175 0.000 1.170 102 E HN 0.531 nan 8.360 nan 0.000 0.415 103 F N 4.245 124.032 119.950 -0.271 0.000 2.449 103 F HA 0.481 5.003 4.527 -0.008 0.000 0.342 103 F C -0.966 174.765 175.800 -0.115 0.000 1.127 103 F CA -0.618 57.281 58.000 -0.169 0.000 0.975 103 F CB 1.095 39.988 39.000 -0.179 0.000 1.146 103 F HN 0.332 nan 8.300 nan 0.000 0.444 104 K N 4.299 124.322 120.400 -0.628 0.000 2.397 104 K HA 0.598 4.914 4.320 -0.006 0.000 0.253 104 K C -1.638 174.704 176.600 -0.430 0.000 0.932 104 K CA -0.603 55.464 56.287 -0.367 0.000 0.795 104 K CB 1.809 34.167 32.500 -0.237 0.000 1.159 104 K HN 0.553 nan 8.250 nan 0.000 0.424 105 S N 3.234 118.811 115.700 -0.205 0.000 2.707 105 S HA 0.625 5.092 4.470 -0.006 0.000 0.303 105 S C 0.321 174.875 174.600 -0.076 0.000 1.132 105 S CA 0.449 58.569 58.200 -0.135 0.000 1.046 105 S CB 0.762 63.941 63.200 -0.034 0.000 1.004 105 S HN 1.109 nan 8.310 nan 0.000 0.483 106 G N 5.286 114.039 108.800 -0.078 0.000 2.622 106 G HA2 -0.323 3.634 3.960 -0.006 0.000 0.307 106 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.307 106 G C 0.461 175.328 174.900 -0.055 0.000 1.226 106 G CA 0.543 45.609 45.100 -0.058 0.000 0.997 106 G HN 0.715 nan 8.290 nan 0.000 0.551 107 N N 0.363 119.041 118.700 -0.037 0.000 2.280 107 N HA 0.208 4.944 4.740 -0.006 0.000 0.192 107 N C 0.191 175.688 175.510 -0.023 0.000 1.109 107 N CA 0.287 53.318 53.050 -0.032 0.000 0.855 107 N CB 0.534 39.009 38.487 -0.021 0.000 0.974 107 N HN 0.400 nan 8.380 nan 0.000 0.482 108 L N 1.301 122.516 121.223 -0.013 0.000 2.287 108 L HA 0.363 4.700 4.340 -0.006 0.000 0.287 108 L C -0.100 176.788 176.870 0.030 0.000 1.022 108 L CA -0.443 54.411 54.840 0.023 0.000 0.814 108 L CB 1.283 43.372 42.059 0.050 0.000 1.217 108 L HN -0.027 nan 8.230 nan 0.000 0.420 109 S N 3.695 119.414 115.700 0.030 0.000 2.566 109 S HA 0.966 5.432 4.470 -0.006 0.000 0.298 109 S C -0.542 174.085 174.600 0.045 0.000 1.083 109 S CA -0.502 57.706 58.200 0.012 0.000 0.978 109 S CB 1.821 64.964 63.200 -0.094 0.000 1.073 109 S HN 0.944 nan 8.310 nan 0.000 0.491 110 A N 1.661 124.474 122.820 -0.011 0.000 2.318 110 A HA 0.800 5.116 4.320 -0.006 0.000 0.324 110 A C -0.177 177.127 177.584 -0.467 0.000 1.170 110 A CA -0.839 51.008 52.037 -0.317 0.000 0.810 110 A CB 0.857 19.727 19.000 -0.217 0.000 1.198 110 A HN 0.861 nan 8.150 nan 0.000 0.484 111 R N 2.538 122.717 120.500 -0.534 0.000 2.476 111 R HA 0.584 4.921 4.340 -0.006 0.000 0.305 111 R C -1.812 174.196 176.300 -0.488 0.000 0.965 111 R CA -0.348 55.469 56.100 -0.473 0.000 0.867 111 R CB 1.734 31.756 30.300 -0.464 0.000 1.176 111 R HN 0.507 nan 8.270 nan 0.000 0.447 112 V N 3.145 122.796 119.914 -0.439 0.000 2.427 112 V HA 0.313 4.430 4.120 -0.006 0.000 0.286 112 V C -0.105 175.838 176.094 -0.251 0.000 1.034 112 V CA -0.595 61.413 62.300 -0.488 0.000 0.893 112 V CB 1.868 33.373 31.823 -0.531 0.000 0.982 112 V HN 0.800 nan 8.190 nan 0.000 0.452 113 S N 4.743 120.281 115.700 -0.269 0.000 2.513 113 S HA 0.422 4.888 4.470 -0.006 0.000 0.276 113 S C -0.051 174.500 174.600 -0.080 0.000 1.254 113 S CA -0.770 57.410 58.200 -0.033 0.000 1.053 113 S CB 0.726 63.938 63.200 0.019 0.000 0.958 113 S HN 0.637 nan 8.310 nan 0.000 0.491 114 K N 1.407 121.775 120.400 -0.052 0.000 2.098 114 K HA 0.652 4.969 4.320 -0.006 0.000 0.244 114 K C 0.989 177.593 176.600 0.006 0.000 1.014 114 K CA -0.073 56.211 56.287 -0.005 0.000 0.917 114 K CB 0.467 32.947 32.500 -0.032 0.000 1.072 114 K HN 0.859 nan 8.250 nan 0.000 0.477 115 G N 0.744 109.560 108.800 0.027 0.000 2.584 115 G HA2 -0.316 3.641 3.960 -0.006 0.000 0.229 115 G HA3 -0.316 3.641 3.960 -0.006 0.000 0.229 115 G C 0.605 175.478 174.900 -0.045 0.000 1.320 115 G CA 0.300 45.393 45.100 -0.012 0.000 0.891 115 G HN 0.754 nan 8.290 nan 0.000 0.573 116 E N -0.698 119.373 120.200 -0.216 0.000 2.265 116 E HA 0.002 4.348 4.350 -0.006 0.000 0.196 116 E C 0.287 176.551 176.600 -0.560 0.000 0.996 116 E CA 0.859 56.970 56.400 -0.482 0.000 0.832 116 E CB -0.086 29.110 29.700 -0.840 0.000 0.756 116 E HN 0.319 nan 8.360 nan 0.000 0.491 117 F N 0.824 120.824 119.950 0.083 0.000 2.366 117 F HA 0.205 4.726 4.527 -0.010 0.000 0.357 117 F C -0.048 175.827 175.800 0.125 0.000 1.107 117 F CA -1.069 56.987 58.000 0.094 0.000 1.208 117 F CB 0.147 39.177 39.000 0.049 0.000 1.464 117 F HN 0.042 nan 8.300 nan 0.000 0.501 118 W N 3.104 124.471 121.300 0.112 0.000 2.231 118 W HA 0.363 5.017 4.660 -0.011 0.000 0.341 118 W C -0.598 175.965 176.519 0.074 0.000 1.298 118 W CA 0.640 58.029 57.345 0.073 0.000 1.266 118 W CB 1.222 30.702 29.460 0.034 0.000 1.172 118 W HN 0.444 nan 8.180 nan 0.000 0.568 119 S N 6.332 121.671 115.700 -0.602 0.000 2.537 119 S HA 0.535 5.001 4.470 -0.006 0.000 0.271 119 S C -1.793 172.400 174.600 -0.679 0.000 1.148 119 S CA -0.863 57.093 58.200 -0.407 0.000 0.868 119 S CB 1.110 64.215 63.200 -0.159 0.000 1.115 119 S HN 0.536 nan 8.310 nan 0.000 0.461 120 L N 3.922 124.906 121.223 -0.399 0.000 2.372 120 L HA 0.607 4.944 4.340 -0.006 0.000 0.273 120 L C -1.614 175.024 176.870 -0.387 0.000 0.989 120 L CA -0.357 54.241 54.840 -0.403 0.000 0.841 120 L CB 1.092 43.063 42.059 -0.146 0.000 1.225 120 L HN 0.702 nan 8.230 nan 0.000 0.414 121 D N 4.802 124.892 120.400 -0.516 0.000 2.498 121 D HA 0.360 4.997 4.640 -0.006 0.000 0.247 121 D C -1.063 174.869 176.300 -0.612 0.000 1.070 121 D CA -0.156 53.589 54.000 -0.426 0.000 0.842 121 D CB 2.312 42.944 40.800 -0.279 0.000 1.361 121 D HN 0.171 nan 8.370 nan 0.000 0.484 122 F N 1.503 121.401 119.950 -0.086 0.000 2.404 122 F HA 0.319 4.845 4.527 -0.002 0.000 0.354 122 F C -0.030 175.698 175.800 -0.120 0.000 1.122 122 F CA -0.743 57.202 58.000 -0.093 0.000 1.080 122 F CB 0.858 39.806 39.000 -0.086 0.000 1.131 122 F HN 0.000 nan 8.300 nan 0.000 0.471 123 L N 3.954 125.188 121.223 0.019 0.000 2.346 123 L HA 0.528 4.864 4.340 -0.006 0.000 0.274 123 L C -0.247 176.617 176.870 -0.010 0.000 1.007 123 L CA -1.042 53.776 54.840 -0.037 0.000 0.818 123 L CB 1.850 43.847 42.059 -0.104 0.000 1.284 123 L HN 0.521 nan 8.230 nan 0.000 0.424 124 R N 2.595 123.086 120.500 -0.015 0.000 2.337 124 R HA 0.329 4.665 4.340 -0.006 0.000 0.319 124 R C -0.295 175.993 176.300 -0.020 0.000 0.954 124 R CA -0.266 55.830 56.100 -0.007 0.000 0.840 124 R CB 0.171 30.478 30.300 0.011 0.000 1.164 124 R HN 0.807 nan 8.270 nan 0.000 0.472 125 N N 2.703 121.386 118.700 -0.030 0.000 2.721 125 N HA -0.253 4.484 4.740 -0.006 0.000 0.249 125 N C 0.564 176.046 175.510 -0.047 0.000 1.072 125 N CA 0.677 53.705 53.050 -0.036 0.000 0.710 125 N CB -0.671 37.802 38.487 -0.025 0.000 0.993 125 N HN 1.069 nan 8.380 nan 0.000 0.547 126 G N -1.044 107.717 108.800 -0.064 0.000 2.179 126 G HA2 -0.351 3.605 3.960 -0.006 0.000 0.260 126 G HA3 -0.351 3.605 3.960 -0.006 0.000 0.260 126 G C -0.200 174.656 174.900 -0.074 0.000 0.977 126 G CA 0.609 45.659 45.100 -0.083 0.000 0.641 126 G HN 0.566 nan 8.290 nan 0.000 0.533 127 E N 0.055 120.224 120.200 -0.052 0.000 2.175 127 E HA 0.412 4.759 4.350 -0.006 0.000 0.278 127 E C 0.446 177.023 176.600 -0.038 0.000 0.969 127 E CA -0.903 55.473 56.400 -0.040 0.000 0.796 127 E CB 1.066 30.754 29.700 -0.020 0.000 1.104 127 E HN 0.282 nan 8.360 nan 0.000 0.395 128 R N 3.875 124.349 120.500 -0.043 0.000 2.399 128 R HA 0.023 4.360 4.340 -0.006 0.000 0.324 128 R C 1.117 177.406 176.300 -0.018 0.000 1.030 128 R CA 0.176 56.252 56.100 -0.039 0.000 0.984 128 R CB 0.057 30.331 30.300 -0.043 0.000 0.961 128 R HN 0.633 nan 8.270 nan 0.000 0.433 129 I N -0.086 120.463 120.570 -0.034 0.000 3.035 129 I HA 0.225 4.391 4.170 -0.006 0.000 0.271 129 I C 0.662 176.700 176.117 -0.132 0.000 1.190 129 I CA -0.002 61.256 61.300 -0.069 0.000 1.472 129 I CB 0.499 38.427 38.000 -0.119 0.000 1.116 129 I HN 0.519 nan 8.210 nan 0.000 0.443 130 T N -1.077 113.420 114.554 -0.094 0.000 2.648 130 T HA 0.620 4.966 4.350 -0.006 0.000 0.300 130 T C -1.062 173.734 174.700 0.160 0.000 1.751 130 T CA 0.001 62.096 62.100 -0.009 0.000 0.959 130 T CB 1.019 69.801 68.868 -0.143 0.000 1.888 130 T HN 0.677 nan 8.240 nan 0.000 0.480 131 G N 0.369 109.310 108.800 0.235 0.000 2.322 131 G HA2 0.485 4.442 3.960 -0.006 0.000 0.295 131 G HA3 0.485 4.442 3.960 -0.006 0.000 0.295 131 G C -1.487 173.537 174.900 0.206 0.000 1.369 131 G CA 0.298 45.553 45.100 0.258 0.000 0.821 131 G HN 0.954 nan 8.290 nan 0.000 0.536 132 S N -0.363 115.434 115.700 0.162 0.000 2.530 132 S HA 0.537 5.004 4.470 -0.006 0.000 0.322 132 S C 0.063 174.730 174.600 0.112 0.000 1.085 132 S CA -0.415 57.869 58.200 0.140 0.000 1.096 132 S CB 0.775 64.093 63.200 0.197 0.000 0.988 132 S HN 0.528 nan 8.310 nan 0.000 0.466 133 Q N 1.892 121.741 119.800 0.083 0.000 2.368 133 Q HA 0.301 4.638 4.340 -0.006 0.000 0.237 133 Q C 0.018 176.100 176.000 0.138 0.000 0.987 133 Q CA -0.479 55.378 55.803 0.090 0.000 0.896 133 Q CB 1.015 29.778 28.738 0.041 0.000 1.241 133 Q HN 0.570 nan 8.270 nan 0.000 0.485 134 V N 2.934 122.974 119.914 0.210 0.000 2.681 134 V HA -0.180 3.937 4.120 -0.006 0.000 0.306 134 V C 0.305 176.351 176.094 -0.080 0.000 1.077 134 V CA 1.409 63.810 62.300 0.169 0.000 1.224 134 V CB -0.425 31.520 31.823 0.203 0.000 0.879 134 V HN 0.868 nan 8.190 nan 0.000 0.494 135 K N 3.195 123.433 120.400 -0.270 0.000 3.509 135 K HA -0.152 4.164 4.320 -0.006 0.000 0.302 135 K C 0.648 177.048 176.600 -0.334 0.000 1.355 135 K CA 1.140 57.033 56.287 -0.655 0.000 0.953 135 K CB -1.236 30.872 32.500 -0.652 0.000 1.321 135 K HN 0.833 nan 8.250 nan 0.000 0.461 136 N N 1.113 119.732 118.700 -0.134 0.000 2.236 136 N HA 0.009 4.745 4.740 -0.006 0.000 0.196 136 N C -0.265 175.085 175.510 -0.266 0.000 1.114 136 N CA 0.364 53.400 53.050 -0.024 0.000 0.859 136 N CB 0.292 38.775 38.487 -0.007 0.000 0.982 136 N HN 0.440 nan 8.380 nan 0.000 0.493 137 N N -0.462 117.960 118.700 -0.463 0.000 2.509 137 N HA 0.736 5.473 4.740 -0.006 0.000 0.280 137 N C 0.241 175.196 175.510 -0.926 0.000 1.306 137 N CA -0.593 51.875 53.050 -0.970 0.000 0.782 137 N CB 1.729 39.918 38.487 -0.496 0.000 1.493 137 N HN -0.023 nan 8.380 nan 0.000 0.498 138 G N -1.661 106.536 108.800 -1.005 0.000 2.332 138 G HA2 0.170 4.127 3.960 -0.006 0.000 0.265 138 G HA3 0.170 4.127 3.960 -0.006 0.000 0.265 138 G C -2.381 172.627 174.900 0.179 0.000 1.329 138 G CA -0.839 44.044 45.100 -0.362 0.000 0.949 138 G HN 0.669 nan 8.290 nan 0.000 0.476 139 Y N 0.177 120.610 120.300 0.221 0.000 2.393 139 Y HA 0.690 5.236 4.550 -0.006 0.000 0.341 139 Y C -0.280 175.675 175.900 0.093 0.000 0.988 139 Y CA -1.139 57.044 58.100 0.138 0.000 1.078 139 Y CB 2.193 40.598 38.460 -0.091 0.000 1.203 139 Y HN 0.482 nan 8.280 nan 0.000 0.453 140 V N 6.675 126.441 119.914 -0.247 0.000 2.378 140 V HA 0.278 4.394 4.120 -0.006 0.000 0.288 140 V C -0.547 175.246 176.094 -0.500 0.000 1.016 140 V CA -0.853 61.288 62.300 -0.265 0.000 0.840 140 V CB 1.368 33.122 31.823 -0.115 0.000 0.994 140 V HN 0.749 nan 8.190 nan 0.000 0.431 141 Q N 3.649 123.193 119.800 -0.426 0.000 2.421 141 Q HA 0.198 4.535 4.340 -0.006 0.000 0.242 141 Q C -0.618 175.297 176.000 -0.142 0.000 1.024 141 Q CA -0.493 55.118 55.803 -0.320 0.000 0.891 141 Q CB 0.782 29.390 28.738 -0.217 0.000 1.222 141 Q HN 0.762 nan 8.270 nan 0.000 0.483 142 D N 3.174 123.532 120.400 -0.070 0.000 2.365 142 D HA 0.066 4.703 4.640 -0.006 0.000 0.237 142 D C 0.158 176.445 176.300 -0.021 0.000 1.190 142 D CA 0.073 54.068 54.000 -0.009 0.000 0.867 142 D CB 1.525 42.401 40.800 0.126 0.000 1.050 142 D HN 0.515 nan 8.370 nan 0.000 0.491 143 T N 3.110 117.646 114.554 -0.029 0.000 3.067 143 T HA -0.019 4.327 4.350 -0.006 0.000 0.261 143 T C 1.507 176.198 174.700 -0.014 0.000 1.110 143 T CA 0.298 62.386 62.100 -0.022 0.000 1.113 143 T CB 0.142 68.996 68.868 -0.024 0.000 0.917 143 T HN 0.398 nan 8.240 nan 0.000 0.499 144 N N 2.710 121.402 118.700 -0.015 0.000 2.171 144 N HA -0.059 4.678 4.740 -0.006 0.000 0.184 144 N C 1.420 176.927 175.510 -0.004 0.000 1.021 144 N CA 1.115 54.158 53.050 -0.012 0.000 0.854 144 N CB -0.203 38.273 38.487 -0.019 0.000 0.994 144 N HN 0.556 nan 8.380 nan 0.000 0.426 145 N N 0.220 118.922 118.700 0.004 0.000 2.177 145 N HA 0.006 4.743 4.740 -0.006 0.000 0.218 145 N C -0.371 175.139 175.510 -0.001 0.000 1.182 145 N CA 0.077 53.132 53.050 0.008 0.000 0.882 145 N CB 0.215 38.715 38.487 0.022 0.000 1.052 145 N HN -0.155 nan 8.380 nan 0.000 0.519 146 Q N -0.544 119.252 119.800 -0.007 0.000 2.494 146 Q HA -0.208 4.128 4.340 -0.006 0.000 0.266 146 Q C -0.846 175.126 176.000 -0.047 0.000 1.053 146 Q CA 0.881 56.673 55.803 -0.018 0.000 1.029 146 Q CB -1.928 26.806 28.738 -0.007 0.000 1.423 146 Q HN 0.663 nan 8.270 nan 0.000 0.516 147 R N 0.492 120.951 120.500 -0.068 0.000 2.732 147 R HA 0.580 4.917 4.340 -0.006 0.000 0.278 147 R C 0.058 176.161 176.300 -0.329 0.000 0.976 147 R CA -0.820 55.157 56.100 -0.206 0.000 0.963 147 R CB 1.058 31.214 30.300 -0.240 0.000 1.150 147 R HN 0.016 nan 8.270 nan 0.000 0.478 148 N N 1.405 119.786 118.700 -0.531 0.000 2.269 148 N HA 0.377 5.114 4.740 -0.006 0.000 0.304 148 N C -1.377 173.712 175.510 -0.701 0.000 1.072 148 N CA -0.446 52.286 53.050 -0.530 0.000 0.802 148 N CB 1.909 40.204 38.487 -0.320 0.000 1.348 148 N HN 0.417 nan 8.380 nan 0.000 0.484 149 Y N 0.062 120.198 120.300 -0.273 0.000 2.576 149 Y HA 0.533 5.079 4.550 -0.006 0.000 0.346 149 Y C 0.122 176.023 175.900 0.002 0.000 1.018 149 Y CA -1.106 56.923 58.100 -0.118 0.000 1.050 149 Y CB 1.755 40.142 38.460 -0.121 0.000 1.280 149 Y HN 0.130 nan 8.280 nan 0.000 0.474 150 M N 3.015 122.754 119.600 0.233 0.000 2.508 150 M HA 0.488 4.965 4.480 -0.006 0.000 0.327 150 M C -1.053 175.396 176.300 0.248 0.000 1.160 150 M CA -0.755 54.700 55.300 0.258 0.000 0.980 150 M CB 1.518 34.225 32.600 0.179 0.000 1.693 150 M HN 0.739 nan 8.290 nan 0.000 0.452 151 F N -0.006 119.938 119.950 -0.010 0.000 2.664 151 F HA 0.900 5.424 4.527 -0.005 0.000 0.317 151 F C -1.163 174.505 175.800 -0.220 0.000 1.108 151 F CA -0.984 56.933 58.000 -0.138 0.000 0.957 151 F CB 1.601 40.507 39.000 -0.157 0.000 1.365 151 F HN 0.540 nan 8.300 nan 0.000 0.475 152 E N 0.540 120.427 120.200 -0.523 0.000 2.372 152 E HA 0.531 4.878 4.350 -0.006 0.000 0.279 152 E C -1.876 174.320 176.600 -0.674 0.000 0.946 152 E CA -0.726 55.235 56.400 -0.731 0.000 0.769 152 E CB 1.987 31.131 29.700 -0.926 0.000 1.230 152 E HN 0.729 nan 8.360 nan 0.000 0.442 153 R N 3.511 123.798 120.500 -0.354 0.000 2.388 153 R HA 0.479 4.815 4.340 -0.006 0.000 0.314 153 R C -0.584 175.668 176.300 -0.081 0.000 0.959 153 R CA -0.675 55.307 56.100 -0.196 0.000 0.851 153 R CB 0.994 31.269 30.300 -0.042 0.000 1.168 153 R HN 0.397 nan 8.270 nan 0.000 0.472 154 L N 3.094 124.321 121.223 0.006 0.000 2.276 154 L HA 0.263 4.599 4.340 -0.006 0.000 0.286 154 L C 0.044 177.002 176.870 0.147 0.000 1.061 154 L CA -0.803 54.129 54.840 0.153 0.000 0.807 154 L CB 0.874 43.111 42.059 0.297 0.000 1.177 154 L HN 0.406 nan 8.230 nan 0.000 0.429 155 D N 3.391 123.869 120.400 0.130 0.000 2.400 155 D HA 0.314 4.950 4.640 -0.006 0.000 0.238 155 D C -0.270 176.110 176.300 0.133 0.000 1.157 155 D CA 0.394 54.453 54.000 0.098 0.000 0.889 155 D CB 0.985 41.830 40.800 0.076 0.000 1.199 155 D HN 0.225 nan 8.370 nan 0.000 0.436 156 L N 1.167 122.443 121.223 0.088 0.000 2.362 156 L HA 0.503 4.839 4.340 -0.006 0.000 0.275 156 L C 1.101 178.008 176.870 0.063 0.000 0.998 156 L CA -0.840 54.055 54.840 0.091 0.000 0.820 156 L CB 2.008 44.089 42.059 0.036 0.000 1.270 156 L HN 0.320 nan 8.230 nan 0.000 0.415 157 G N 1.736 110.581 108.800 0.076 0.000 2.588 157 G HA2 0.406 4.363 3.960 -0.006 0.000 0.278 157 G HA3 0.406 4.363 3.960 -0.006 0.000 0.278 157 G C -0.174 174.748 174.900 0.036 0.000 1.307 157 G CA -0.586 44.545 45.100 0.052 0.000 1.016 157 G HN 0.290 nan 8.290 nan 0.000 0.503 158 V N 0.827 120.758 119.914 0.029 0.000 2.540 158 V HA 0.370 4.486 4.120 -0.006 0.000 0.297 158 V C 1.647 177.758 176.094 0.028 0.000 1.024 158 V CA 1.621 63.934 62.300 0.023 0.000 1.105 158 V CB 0.325 32.159 31.823 0.019 0.000 0.938 158 V HN 1.761 nan 8.190 nan 0.000 0.482 159 G N 3.630 112.446 108.800 0.027 0.000 2.166 159 G HA2 -0.292 3.665 3.960 -0.006 0.000 0.260 159 G HA3 -0.292 3.665 3.960 -0.006 0.000 0.260 159 G C 0.225 175.131 174.900 0.011 0.000 0.986 159 G CA 0.489 45.607 45.100 0.031 0.000 0.683 159 G HN 0.843 nan 8.290 nan 0.000 0.527 160 E N 1.525 121.731 120.200 0.009 0.000 2.180 160 E HA 0.473 4.820 4.350 -0.006 0.000 0.283 160 E C 0.757 177.318 176.600 -0.066 0.000 1.061 160 E CA 0.269 56.669 56.400 -0.001 0.000 0.861 160 E CB 0.308 30.035 29.700 0.046 0.000 1.056 160 E HN 0.394 nan 8.360 nan 0.000 0.407 161 T N 0.377 114.864 114.554 -0.113 0.000 2.918 161 T HA 0.563 4.909 4.350 -0.006 0.000 0.286 161 T C -0.203 174.271 174.700 -0.378 0.000 1.026 161 T CA -0.921 61.003 62.100 -0.293 0.000 1.031 161 T CB 1.634 70.229 68.868 -0.455 0.000 1.046 161 T HN 0.145 nan 8.240 nan 0.000 0.479 162 V N 2.114 121.670 119.914 -0.596 0.000 2.513 162 V HA 0.599 4.716 4.120 -0.006 0.000 0.299 162 V C -1.250 174.392 176.094 -0.753 0.000 1.035 162 V CA -0.857 61.138 62.300 -0.509 0.000 0.889 162 V CB 0.792 32.358 31.823 -0.429 0.000 0.988 162 V HN 0.941 nan 8.190 nan 0.000 0.440 163 Y N 1.423 121.601 120.300 -0.202 0.000 2.609 163 Y HA 0.861 5.408 4.550 -0.006 0.000 0.342 163 Y C 0.845 176.617 175.900 -0.214 0.000 1.058 163 Y CA 0.252 58.235 58.100 -0.196 0.000 1.055 163 Y CB 2.239 40.593 38.460 -0.176 0.000 1.292 163 Y HN 0.975 nan 8.280 nan 0.000 0.476 164 G N 0.143 108.925 108.800 -0.030 0.000 2.662 164 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.236 164 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.236 164 G C -0.071 174.738 174.900 -0.152 0.000 1.212 164 G CA -0.211 44.839 45.100 -0.082 0.000 0.968 164 G HN 1.170 nan 8.290 nan 0.000 0.576 165 L N 0.133 121.259 121.223 -0.163 0.000 4.291 165 L HA 0.021 4.358 4.340 -0.006 0.000 0.413 165 L C 1.439 178.229 176.870 -0.133 0.000 1.162 165 L CA 1.565 56.279 54.840 -0.211 0.000 0.961 165 L CB -1.738 40.101 42.059 -0.368 0.000 2.095 165 L HN 2.880 nan 8.230 nan 0.000 0.838 166 G N -0.149 108.587 108.800 -0.107 0.000 2.466 166 G HA2 -0.169 3.788 3.960 -0.006 0.000 0.316 166 G HA3 -0.169 3.788 3.960 -0.006 0.000 0.316 166 G C -0.532 174.213 174.900 -0.259 0.000 1.270 166 G CA 0.041 45.051 45.100 -0.150 0.000 0.982 166 G HN 0.310 nan 8.290 nan 0.000 0.506 167 E N 1.024 121.021 120.200 -0.337 0.000 1.941 167 E HA 0.440 4.786 4.350 -0.006 0.000 0.275 167 E C 0.377 176.588 176.600 -0.649 0.000 1.113 167 E CA -0.253 55.867 56.400 -0.466 0.000 0.878 167 E CB 0.007 29.477 29.700 -0.382 0.000 1.070 167 E HN 0.470 nan 8.360 nan 0.000 0.399 168 R N 3.460 123.557 120.500 -0.672 0.000 2.750 168 R HA 0.325 4.661 4.340 -0.006 0.000 0.281 168 R C -0.273 175.618 176.300 -0.681 0.000 0.972 168 R CA -0.693 55.023 56.100 -0.641 0.000 0.912 168 R CB 0.879 31.007 30.300 -0.287 0.000 1.187 168 R HN 0.453 nan 8.270 nan 0.000 0.464 169 F N -0.165 119.782 119.950 -0.006 0.000 2.678 169 F HA 0.059 4.583 4.527 -0.005 0.000 0.305 169 F C 1.434 177.237 175.800 0.004 0.000 1.090 169 F CA -0.375 57.636 58.000 0.017 0.000 1.272 169 F CB 0.243 39.278 39.000 0.058 0.000 1.060 169 F HN 0.481 nan 8.300 nan 0.000 0.576 170 T N -0.866 113.740 114.554 0.086 0.000 2.729 170 T HA 0.569 4.916 4.350 -0.006 0.000 0.298 170 T C 0.762 175.468 174.700 0.009 0.000 1.013 170 T CA -0.581 61.545 62.100 0.043 0.000 0.957 170 T CB 0.572 69.446 68.868 0.010 0.000 1.130 170 T HN 0.177 nan 8.240 nan 0.000 0.526 171 A N 0.318 123.137 122.820 -0.002 0.000 2.587 171 A HA 0.224 4.541 4.320 -0.006 0.000 0.235 171 A C 1.372 178.941 177.584 -0.025 0.000 1.044 171 A CA -0.277 51.757 52.037 -0.005 0.000 0.754 171 A CB -0.613 18.385 19.000 -0.004 0.000 0.968 171 A HN 1.010 nan 8.150 nan 0.000 0.509 172 L N 4.019 125.239 121.223 -0.004 0.000 2.017 172 L HA -0.045 4.291 4.340 -0.006 0.000 0.208 172 L C 0.956 177.779 176.870 -0.079 0.000 1.073 172 L CA 1.663 56.496 54.840 -0.010 0.000 0.745 172 L CB -0.269 41.824 42.059 0.056 0.000 0.894 172 L HN 0.473 nan 8.230 nan 0.000 0.432 173 V N 1.880 121.722 119.914 -0.120 0.000 2.508 173 V HA 0.087 4.203 4.120 -0.006 0.000 0.281 173 V C 1.345 177.294 176.094 -0.242 0.000 1.041 173 V CA -0.216 61.869 62.300 -0.359 0.000 1.016 173 V CB 0.915 32.537 31.823 -0.333 0.000 0.984 173 V HN 0.352 nan 8.190 nan 0.000 0.478 174 R N 2.346 122.648 120.500 -0.330 0.000 2.240 174 R HA 0.067 4.404 4.340 -0.006 0.000 0.203 174 R C 0.266 176.455 176.300 -0.184 0.000 1.011 174 R CA -0.039 55.920 56.100 -0.235 0.000 1.007 174 R CB -0.241 29.893 30.300 -0.277 0.000 0.911 174 R HN 0.647 nan 8.270 nan 0.000 0.468 175 N N 0.731 119.319 118.700 -0.187 0.000 2.357 175 N HA 0.037 4.774 4.740 -0.006 0.000 0.257 175 N C 1.128 176.589 175.510 -0.081 0.000 1.250 175 N CA 1.553 54.527 53.050 -0.127 0.000 0.862 175 N CB 0.267 38.697 38.487 -0.093 0.000 1.066 175 N HN 0.350 nan 8.380 nan 0.000 0.468 176 G N 0.673 109.431 108.800 -0.071 0.000 2.195 176 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.246 176 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.246 176 G C -0.136 174.734 174.900 -0.051 0.000 0.984 176 G CA -0.191 44.876 45.100 -0.055 0.000 0.633 176 G HN 0.583 nan 8.290 nan 0.000 0.525 177 Q N 0.752 120.516 119.800 -0.060 0.000 2.282 177 Q HA 0.575 4.912 4.340 -0.006 0.000 0.260 177 Q C -0.500 175.483 176.000 -0.029 0.000 0.964 177 Q CA -0.326 55.449 55.803 -0.047 0.000 0.880 177 Q CB 1.611 30.312 28.738 -0.061 0.000 1.286 177 Q HN 0.181 nan 8.270 nan 0.000 0.445 178 T N 1.718 116.267 114.554 -0.009 0.000 2.817 178 T HA 0.385 4.731 4.350 -0.006 0.000 0.293 178 T C -0.530 174.193 174.700 0.038 0.000 0.964 178 T CA -0.526 61.585 62.100 0.019 0.000 1.085 178 T CB 0.737 69.609 68.868 0.006 0.000 0.921 178 T HN 0.433 nan 8.240 nan 0.000 0.502 179 V N 1.573 121.542 119.914 0.092 0.000 2.623 179 V HA 0.650 4.766 4.120 -0.006 0.000 0.304 179 V C -1.015 175.203 176.094 0.207 0.000 1.054 179 V CA -0.893 61.469 62.300 0.103 0.000 0.882 179 V CB 2.191 34.021 31.823 0.012 0.000 1.002 179 V HN 0.742 nan 8.190 nan 0.000 0.424 180 E N 3.519 123.826 120.200 0.179 0.000 2.151 180 E HA 0.333 4.680 4.350 -0.006 0.000 0.275 180 E C -0.007 176.773 176.600 0.298 0.000 0.936 180 E CA -0.368 56.165 56.400 0.222 0.000 0.777 180 E CB 1.765 31.543 29.700 0.130 0.000 1.108 180 E HN 0.939 nan 8.360 nan 0.000 0.401 181 T N 0.883 115.667 114.554 0.382 0.000 3.185 181 T HA 0.236 4.582 4.350 -0.006 0.000 0.287 181 T C -0.242 174.779 174.700 0.534 0.000 1.051 181 T CA -0.717 61.625 62.100 0.403 0.000 1.051 181 T CB -0.232 68.895 68.868 0.431 0.000 1.034 181 T HN 0.444 nan 8.240 nan 0.000 0.685 182 W N 4.108 125.534 121.300 0.209 0.000 2.934 182 W HA 0.274 4.931 4.660 -0.006 0.000 0.333 182 W C -1.355 175.347 176.519 0.305 0.000 1.035 182 W CA -0.973 56.523 57.345 0.253 0.000 1.256 182 W CB 1.354 30.895 29.460 0.136 0.000 1.306 182 W HN 0.373 nan 8.180 nan 0.000 0.430 183 N N 5.135 123.904 118.700 0.114 0.000 2.458 183 N HA 0.182 4.918 4.740 -0.006 0.000 0.258 183 N C -0.305 175.288 175.510 0.138 0.000 1.219 183 N CA 0.594 53.691 53.050 0.079 0.000 0.902 183 N CB 0.750 39.209 38.487 -0.047 0.000 1.076 183 N HN 0.388 nan 8.380 nan 0.000 0.455 184 R N 0.190 120.775 120.500 0.141 0.000 2.739 184 R HA 0.219 4.556 4.340 -0.006 0.000 0.271 184 R C -1.358 174.979 176.300 0.063 0.000 1.010 184 R CA -0.795 55.401 56.100 0.160 0.000 0.897 184 R CB 1.612 32.019 30.300 0.178 0.000 1.236 184 R HN 0.394 nan 8.270 nan 0.000 0.466 185 D N 0.818 121.293 120.400 0.125 0.000 2.485 185 D HA 0.257 4.893 4.640 -0.006 0.000 0.229 185 D C 0.092 176.391 176.300 -0.002 0.000 1.101 185 D CA -0.100 53.947 54.000 0.078 0.000 0.906 185 D CB 0.974 41.929 40.800 0.257 0.000 1.019 185 D HN 0.733 nan 8.370 nan 0.000 0.516 186 G N 1.669 110.333 108.800 -0.228 0.000 3.596 186 G HA2 0.499 4.455 3.960 -0.006 0.000 0.274 186 G HA3 0.499 4.455 3.960 -0.006 0.000 0.274 186 G C 0.825 175.661 174.900 -0.107 0.000 1.007 186 G CA 0.174 45.217 45.100 -0.095 0.000 0.825 186 G HN 0.846 nan 8.290 nan 0.000 0.508 187 G N 0.304 109.002 108.800 -0.170 0.000 2.645 187 G HA2 -0.068 3.889 3.960 -0.006 0.000 0.239 187 G HA3 -0.068 3.889 3.960 -0.006 0.000 0.239 187 G C 0.871 175.611 174.900 -0.267 0.000 1.331 187 G CA 0.819 45.911 45.100 -0.014 0.000 0.890 187 G HN 1.180 nan 8.290 nan 0.000 0.572 188 T N -3.851 110.496 114.554 -0.345 0.000 3.085 188 T HA 0.536 4.882 4.350 -0.006 0.000 0.264 188 T C 1.485 175.863 174.700 -0.535 0.000 1.019 188 T CA 1.201 62.615 62.100 -1.143 0.000 0.910 188 T CB 0.500 68.821 68.868 -0.912 0.000 1.059 188 T HN 0.865 nan 8.240 nan 0.000 0.542 189 S N 1.683 117.286 115.700 -0.162 0.000 2.554 189 S HA 0.274 4.740 4.470 -0.006 0.000 0.226 189 S C 0.853 175.464 174.600 0.017 0.000 0.980 189 S CA -0.083 58.094 58.200 -0.038 0.000 0.939 189 S CB 0.429 63.594 63.200 -0.059 0.000 0.832 189 S HN 0.883 nan 8.310 nan 0.000 0.486 190 T N -0.635 113.949 114.554 0.051 0.000 2.773 190 T HA 0.369 4.716 4.350 -0.006 0.000 0.278 190 T C 0.716 175.494 174.700 0.130 0.000 1.011 190 T CA -0.628 61.517 62.100 0.075 0.000 1.014 190 T CB 1.249 70.148 68.868 0.052 0.000 1.293 190 T HN -0.021 nan 8.240 nan 0.000 0.554 191 E N 0.075 120.331 120.200 0.093 0.000 2.478 191 E HA -0.028 4.319 4.350 -0.006 0.000 0.198 191 E C 0.216 176.873 176.600 0.095 0.000 1.046 191 E CA 0.401 56.852 56.400 0.085 0.000 0.870 191 E CB -0.066 29.668 29.700 0.056 0.000 0.818 191 E HN 0.712 nan 8.360 nan 0.000 0.527 192 Q N 0.236 120.098 119.800 0.102 0.000 2.256 192 Q HA 0.594 4.931 4.340 -0.006 0.000 0.232 192 Q C -0.691 175.359 176.000 0.084 0.000 0.965 192 Q CA -0.268 55.587 55.803 0.087 0.000 0.908 192 Q CB 1.641 30.414 28.738 0.058 0.000 1.209 192 Q HN 0.242 nan 8.270 nan 0.000 0.489 193 A N 0.704 123.548 122.820 0.040 0.000 2.486 193 A HA 0.428 4.744 4.320 -0.006 0.000 0.300 193 A C -1.053 176.529 177.584 -0.003 0.000 1.048 193 A CA -0.650 51.400 52.037 0.020 0.000 0.696 193 A CB 0.493 19.487 19.000 -0.010 0.000 1.278 193 A HN 0.792 nan 8.150 nan 0.000 0.405 194 Y N 0.851 121.211 120.300 0.099 0.000 2.457 194 Y HA 0.070 4.617 4.550 -0.006 0.000 0.292 194 Y C 0.731 176.617 175.900 -0.024 0.000 1.125 194 Y CA 1.212 59.321 58.100 0.016 0.000 1.254 194 Y CB 0.161 38.582 38.460 -0.065 0.000 1.012 194 Y HN 0.498 nan 8.280 nan 0.000 0.555 195 K N 1.450 121.913 120.400 0.105 0.000 2.579 195 K HA 0.233 4.550 4.320 -0.006 0.000 0.225 195 K C -1.086 175.488 176.600 -0.044 0.000 0.992 195 K CA -0.284 55.982 56.287 -0.035 0.000 1.018 195 K CB 0.702 33.057 32.500 -0.241 0.000 1.249 195 K HN 0.067 nan 8.250 nan 0.000 0.489 196 N N 3.761 122.490 118.700 0.049 0.000 2.430 196 N HA 0.430 5.167 4.740 -0.006 0.000 0.292 196 N C -0.731 174.855 175.510 0.127 0.000 1.051 196 N CA -0.384 52.719 53.050 0.089 0.000 0.917 196 N CB 1.648 40.242 38.487 0.178 0.000 1.164 196 N HN 0.303 nan 8.380 nan 0.000 0.484 197 I N 2.905 123.538 120.570 0.106 0.000 2.512 197 I HA 0.232 4.398 4.170 -0.006 0.000 0.287 197 I C -2.265 173.938 176.117 0.142 0.000 1.069 197 I CA -1.902 59.483 61.300 0.142 0.000 1.056 197 I CB 2.251 40.335 38.000 0.141 0.000 1.229 197 I HN 0.221 nan 8.210 nan 0.000 0.429 198 P HA 0.144 nan 4.420 nan 0.000 0.226 198 P C -0.585 176.889 177.300 0.289 0.000 1.758 198 P CA 0.114 63.431 63.100 0.361 0.000 0.896 198 P CB -0.556 31.499 31.700 0.591 0.000 1.784 199 F N 2.729 122.636 119.950 -0.072 0.000 2.507 199 F HA 0.527 5.050 4.527 -0.006 0.000 0.325 199 F C -1.139 174.528 175.800 -0.222 0.000 1.116 199 F CA -1.444 56.436 58.000 -0.200 0.000 0.930 199 F CB 1.383 40.123 39.000 -0.434 0.000 1.146 199 F HN -0.053 nan 8.300 nan 0.000 0.447 200 Y N 5.400 125.084 120.300 -1.026 0.000 2.570 200 Y HA 0.818 5.364 4.550 -0.006 0.000 0.345 200 Y C -1.061 174.088 175.900 -1.252 0.000 1.014 200 Y CA -1.747 55.781 58.100 -0.953 0.000 1.063 200 Y CB 1.456 39.580 38.460 -0.560 0.000 1.272 200 Y HN 0.770 nan 8.280 nan 0.000 0.477 201 M N 1.319 120.531 119.600 -0.646 0.000 2.691 201 M HA 0.861 5.338 4.480 -0.006 0.000 0.293 201 M C -0.932 175.275 176.300 -0.156 0.000 1.259 201 M CA -0.746 54.258 55.300 -0.494 0.000 0.827 201 M CB 2.460 34.832 32.600 -0.380 0.000 1.753 201 M HN 0.842 nan 8.290 nan 0.000 0.465 202 T N -2.419 111.954 114.554 -0.301 0.000 2.926 202 T HA 0.395 4.742 4.350 -0.006 0.000 0.289 202 T C 0.428 175.078 174.700 -0.083 0.000 1.054 202 T CA -0.625 61.382 62.100 -0.155 0.000 1.015 202 T CB 1.122 69.803 68.868 -0.312 0.000 1.167 202 T HN 0.849 nan 8.240 nan 0.000 0.526 203 N N 0.200 118.928 118.700 0.047 0.000 2.575 203 N HA -0.060 4.677 4.740 -0.006 0.000 0.192 203 N C 1.027 176.539 175.510 0.004 0.000 1.200 203 N CA 0.136 53.196 53.050 0.016 0.000 0.897 203 N CB -0.375 38.148 38.487 0.059 0.000 0.990 203 N HN 0.665 nan 8.380 nan 0.000 0.449 204 R N -0.056 120.443 120.500 -0.001 0.000 2.359 204 R HA 0.148 4.484 4.340 -0.006 0.000 0.231 204 R C 0.220 176.595 176.300 0.124 0.000 0.913 204 R CA 0.462 56.619 56.100 0.095 0.000 1.075 204 R CB -0.227 30.210 30.300 0.228 0.000 1.087 204 R HN 0.338 nan 8.270 nan 0.000 0.515 205 G N 1.112 109.918 108.800 0.011 0.000 2.182 205 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.248 205 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.248 205 G C -0.470 174.501 174.900 0.119 0.000 1.042 205 G CA 0.741 45.862 45.100 0.036 0.000 0.775 205 G HN 0.518 nan 8.290 nan 0.000 0.501 206 Y N -2.214 118.087 120.300 0.001 0.000 2.638 206 Y HA 0.857 5.405 4.550 -0.004 0.000 0.339 206 Y C 0.425 176.282 175.900 -0.072 0.000 1.084 206 Y CA -1.244 56.845 58.100 -0.018 0.000 1.068 206 Y CB 1.020 39.468 38.460 -0.019 0.000 1.294 206 Y HN 0.628 nan 8.280 nan 0.000 0.480 207 G N -0.120 108.685 108.800 0.008 0.000 2.730 207 G HA2 0.608 4.564 3.960 -0.006 0.000 0.289 207 G HA3 0.608 4.564 3.960 -0.006 0.000 0.289 207 G C -1.997 172.784 174.900 -0.197 0.000 1.341 207 G CA -0.828 44.103 45.100 -0.281 0.000 0.932 207 G HN 1.387 nan 8.290 nan 0.000 0.481 208 V N 0.049 119.591 119.914 -0.620 0.000 2.733 208 V HA 0.753 4.869 4.120 -0.006 0.000 0.306 208 V C -1.785 174.230 176.094 -0.131 0.000 1.084 208 V CA -0.912 61.190 62.300 -0.331 0.000 0.905 208 V CB 1.612 33.205 31.823 -0.383 0.000 1.010 208 V HN 0.877 nan 8.190 nan 0.000 0.424 209 L N 7.297 128.694 121.223 0.291 0.000 2.287 209 L HA 0.715 5.052 4.340 -0.006 0.000 0.287 209 L C -0.519 176.572 176.870 0.369 0.000 1.022 209 L CA -0.045 55.058 54.840 0.438 0.000 0.814 209 L CB 1.728 44.172 42.059 0.641 0.000 1.217 209 L HN 0.605 nan 8.230 nan 0.000 0.420 210 V N 4.956 125.036 119.914 0.277 0.000 2.432 210 V HA 0.238 4.354 4.120 -0.006 0.000 0.271 210 V C 0.465 176.828 176.094 0.448 0.000 1.046 210 V CA -0.492 61.957 62.300 0.249 0.000 0.945 210 V CB 0.887 32.726 31.823 0.027 0.000 0.992 210 V HN 0.802 nan 8.190 nan 0.000 0.471 211 N N 4.394 123.314 118.700 0.367 0.000 3.331 211 N HA 0.107 4.843 4.740 -0.006 0.000 0.303 211 N C -0.474 174.970 175.510 -0.110 0.000 1.326 211 N CA -0.045 53.194 53.050 0.316 0.000 1.207 211 N CB -0.367 38.334 38.487 0.358 0.000 1.477 211 N HN 0.738 nan 8.380 nan 0.000 0.541 212 H N 0.373 119.596 119.070 0.256 0.000 3.018 212 H HA 0.224 4.776 4.556 -0.006 0.000 0.334 212 H C -2.069 173.219 175.328 -0.066 0.000 0.983 212 H CA -1.276 54.798 56.048 0.043 0.000 1.363 212 H CB 2.183 31.993 29.762 0.079 0.000 1.668 212 H HN 0.232 nan 8.280 nan 0.000 0.513 213 P HA -0.118 nan 4.420 nan 0.000 0.229 213 P C 0.964 178.356 177.300 0.152 0.000 1.160 213 P CA 0.709 63.642 63.100 -0.278 0.000 0.777 213 P CB 0.508 31.918 31.700 -0.483 0.000 0.814 214 Q N -0.143 119.774 119.800 0.194 0.000 2.544 214 Q HA -0.000 4.336 4.340 -0.006 0.000 0.194 214 Q C 0.141 176.384 176.000 0.405 0.000 1.104 214 Q CA -0.290 55.708 55.803 0.325 0.000 1.131 214 Q CB -0.737 28.133 28.738 0.220 0.000 1.210 214 Q HN -0.024 nan 8.270 nan 0.000 0.639 215 C N 1.366 120.908 119.300 0.403 0.000 2.648 215 C HA 0.287 4.744 4.460 -0.006 0.000 0.406 215 C C 0.012 175.113 174.990 0.185 0.000 1.406 215 C CA -0.351 58.848 59.018 0.301 0.000 1.610 215 C CB -1.342 26.337 27.740 -0.101 0.000 2.451 215 C HN 0.427 nan 8.230 nan 0.000 0.608 216 V N 7.131 127.193 119.914 0.246 0.000 2.394 216 V HA 0.367 4.484 4.120 -0.006 0.000 0.282 216 V C 0.396 176.559 176.094 0.115 0.000 1.031 216 V CA -0.021 62.354 62.300 0.126 0.000 0.881 216 V CB 1.733 33.649 31.823 0.155 0.000 0.982 216 V HN 0.906 nan 8.190 nan 0.000 0.451 217 S N 5.326 121.014 115.700 -0.019 0.000 2.423 217 S HA 0.624 5.090 4.470 -0.006 0.000 0.317 217 S C -0.836 173.747 174.600 -0.029 0.000 1.065 217 S CA -0.431 57.778 58.200 0.016 0.000 1.111 217 S CB -0.255 62.910 63.200 -0.058 0.000 0.968 217 S HN 0.388 nan 8.310 nan 0.000 0.474 218 F N 2.976 122.971 119.950 0.075 0.000 2.404 218 F HA 0.441 4.965 4.527 -0.006 0.000 0.339 218 F C 0.831 176.633 175.800 0.003 0.000 1.105 218 F CA -0.689 57.358 58.000 0.077 0.000 1.087 218 F CB 1.286 40.320 39.000 0.056 0.000 1.143 218 F HN 0.389 nan 8.300 nan 0.000 0.491 219 E N 3.383 123.670 120.200 0.144 0.000 2.121 219 E HA 0.248 4.595 4.350 -0.006 0.000 0.255 219 E C -0.993 175.626 176.600 0.032 0.000 0.906 219 E CA -0.357 56.071 56.400 0.047 0.000 0.745 219 E CB 1.766 31.454 29.700 -0.021 0.000 1.155 219 E HN 0.243 nan 8.360 nan 0.000 0.424 220 V N 1.767 121.681 119.914 0.001 0.000 2.299 220 V HA 0.257 4.373 4.120 -0.006 0.000 0.255 220 V C 1.360 177.401 176.094 -0.088 0.000 1.100 220 V CA 0.180 62.433 62.300 -0.079 0.000 0.938 220 V CB 0.326 32.053 31.823 -0.159 0.000 1.139 220 V HN 0.921 nan 8.190 nan 0.000 0.490 221 G N 4.537 113.293 108.800 -0.075 0.000 2.203 221 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.263 221 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.263 221 G C 0.838 175.704 174.900 -0.057 0.000 1.012 221 G CA 0.832 45.893 45.100 -0.066 0.000 0.749 221 G HN 1.033 nan 8.290 nan 0.000 0.512 222 S N -1.908 113.761 115.700 -0.053 0.000 2.520 222 S HA 0.345 4.811 4.470 -0.006 0.000 0.219 222 S C 1.431 175.998 174.600 -0.054 0.000 1.028 222 S CA 0.895 59.066 58.200 -0.049 0.000 0.921 222 S CB 0.587 63.763 63.200 -0.040 0.000 0.844 222 S HN 0.653 nan 8.310 nan 0.000 0.495 223 E N 1.058 121.221 120.200 -0.061 0.000 2.279 223 E HA 0.198 4.545 4.350 -0.006 0.000 0.199 223 E C -0.431 176.121 176.600 -0.080 0.000 0.893 223 E CA 0.067 56.421 56.400 -0.076 0.000 0.978 223 E CB 0.496 30.139 29.700 -0.095 0.000 0.964 223 E HN 0.046 nan 8.360 nan 0.000 0.486 224 K N 2.024 122.380 120.400 -0.074 0.000 2.339 224 K HA 0.159 4.475 4.320 -0.006 0.000 0.264 224 K C 0.869 177.433 176.600 -0.060 0.000 0.986 224 K CA -0.067 56.176 56.287 -0.074 0.000 0.866 224 K CB 2.051 34.509 32.500 -0.069 0.000 1.103 224 K HN 0.164 nan 8.250 nan 0.000 0.441 225 V N 0.118 119.997 119.914 -0.059 0.000 2.626 225 V HA -0.121 3.995 4.120 -0.006 0.000 0.252 225 V C 1.176 177.245 176.094 -0.042 0.000 1.067 225 V CA 1.782 64.052 62.300 -0.050 0.000 1.081 225 V CB -0.421 31.375 31.823 -0.046 0.000 0.686 225 V HN 0.650 nan 8.190 nan 0.000 0.468 226 S N -0.817 114.861 115.700 -0.037 0.000 2.561 226 S HA 0.461 4.927 4.470 -0.006 0.000 0.245 226 S C 0.117 174.711 174.600 -0.011 0.000 1.001 226 S CA -0.653 57.534 58.200 -0.022 0.000 1.002 226 S CB -0.431 62.758 63.200 -0.017 0.000 0.805 226 S HN 0.755 nan 8.310 nan 0.000 0.458 227 K N 0.208 120.596 120.400 -0.020 0.000 2.512 227 K HA 0.568 4.885 4.320 -0.006 0.000 0.263 227 K C -1.604 174.983 176.600 -0.021 0.000 0.966 227 K CA -0.923 55.361 56.287 -0.004 0.000 0.851 227 K CB 2.407 34.901 32.500 -0.010 0.000 1.395 227 K HN -0.007 nan 8.250 nan 0.000 0.440 228 V N 2.452 122.368 119.914 0.003 0.000 2.333 228 V HA 0.161 4.278 4.120 -0.006 0.000 0.274 228 V C -0.138 175.994 176.094 0.064 0.000 1.028 228 V CA -0.477 61.828 62.300 0.007 0.000 0.851 228 V CB 0.948 32.691 31.823 -0.133 0.000 1.000 228 V HN 0.651 nan 8.190 nan 0.000 0.456 229 Q N 5.149 124.960 119.800 0.018 0.000 2.243 229 Q HA 0.622 4.959 4.340 -0.006 0.000 0.252 229 Q C -1.370 174.609 176.000 -0.035 0.000 0.909 229 Q CA -0.492 55.254 55.803 -0.095 0.000 0.922 229 Q CB 1.233 29.930 28.738 -0.068 0.000 1.215 229 Q HN 0.705 nan 8.270 nan 0.000 0.427 230 F N 0.420 120.287 119.950 -0.139 0.000 2.578 230 F HA 0.742 5.265 4.527 -0.006 0.000 0.311 230 F C -0.945 174.737 175.800 -0.197 0.000 1.094 230 F CA -0.950 56.822 58.000 -0.380 0.000 0.923 230 F CB 1.654 40.186 39.000 -0.780 0.000 1.230 230 F HN 0.450 nan 8.300 nan 0.000 0.450 231 S N 1.626 117.293 115.700 -0.055 0.000 2.564 231 S HA 0.869 5.336 4.470 -0.006 0.000 0.274 231 S C -1.850 172.737 174.600 -0.021 0.000 1.124 231 S CA -0.830 57.366 58.200 -0.007 0.000 0.869 231 S CB 1.765 64.930 63.200 -0.058 0.000 1.105 231 S HN 1.356 nan 8.310 nan 0.000 0.472 232 V N 0.912 120.834 119.914 0.012 0.000 2.888 232 V HA 0.537 4.653 4.120 -0.006 0.000 0.309 232 V C -0.944 175.180 176.094 0.051 0.000 1.114 232 V CA -0.684 61.586 62.300 -0.051 0.000 0.940 232 V CB 1.887 33.471 31.823 -0.397 0.000 1.021 232 V HN 1.127 nan 8.190 nan 0.000 0.426 233 E N 3.878 124.099 120.200 0.034 0.000 2.029 233 E HA 0.527 4.874 4.350 -0.006 0.000 0.276 233 E C -0.568 175.930 176.600 -0.170 0.000 1.163 233 E CA 0.302 56.572 56.400 -0.216 0.000 0.909 233 E CB 0.438 29.980 29.700 -0.262 0.000 1.046 233 E HN 0.728 nan 8.360 nan 0.000 0.406 234 S N 3.049 118.662 115.700 -0.145 0.000 2.597 234 S HA 0.085 4.552 4.470 -0.006 0.000 0.274 234 S C -0.258 174.379 174.600 0.062 0.000 1.132 234 S CA -0.696 57.460 58.200 -0.073 0.000 0.835 234 S CB 1.240 64.290 63.200 -0.250 0.000 1.092 234 S HN 0.540 nan 8.310 nan 0.000 0.457 235 E N 0.702 121.001 120.200 0.165 0.000 2.478 235 E HA 0.179 4.526 4.350 -0.006 0.000 0.194 235 E C -0.402 176.380 176.600 0.303 0.000 1.045 235 E CA 0.578 57.132 56.400 0.257 0.000 0.868 235 E CB 0.109 29.968 29.700 0.264 0.000 0.885 235 E HN 0.587 nan 8.360 nan 0.000 0.505 236 Y N -1.854 118.555 120.300 0.183 0.000 2.571 236 Y HA 0.606 5.152 4.550 -0.006 0.000 0.341 236 Y C -1.316 174.746 175.900 0.270 0.000 1.076 236 Y CA -1.759 56.457 58.100 0.194 0.000 1.029 236 Y CB 0.928 39.476 38.460 0.147 0.000 1.308 236 Y HN -0.209 nan 8.280 nan 0.000 0.461 237 L N 2.657 124.023 121.223 0.239 0.000 2.362 237 L HA 0.639 4.976 4.340 -0.006 0.000 0.275 237 L C -1.160 176.002 176.870 0.488 0.000 0.998 237 L CA -0.571 54.457 54.840 0.313 0.000 0.820 237 L CB 2.004 44.227 42.059 0.274 0.000 1.270 237 L HN 0.906 nan 8.230 nan 0.000 0.415 238 E N 3.915 124.468 120.200 0.587 0.000 2.218 238 E HA 0.487 4.834 4.350 -0.006 0.000 0.263 238 E C -1.972 174.725 176.600 0.161 0.000 0.879 238 E CA -0.635 55.902 56.400 0.227 0.000 0.762 238 E CB 1.291 31.090 29.700 0.166 0.000 1.166 238 E HN 0.588 nan 8.360 nan 0.000 0.415 239 Y N 1.584 121.818 120.300 -0.110 0.000 2.605 239 Y HA 0.709 5.256 4.550 -0.006 0.000 0.343 239 Y C -1.605 174.007 175.900 -0.480 0.000 1.036 239 Y CA -1.560 56.438 58.100 -0.170 0.000 1.065 239 Y CB 0.968 39.452 38.460 0.040 0.000 1.288 239 Y HN 0.228 nan 8.280 nan 0.000 0.481 240 F N 1.269 121.341 119.950 0.203 0.000 2.449 240 F HA 0.580 5.104 4.527 -0.005 0.000 0.342 240 F C -0.585 175.250 175.800 0.059 0.000 1.127 240 F CA -1.307 56.722 58.000 0.050 0.000 0.975 240 F CB 1.948 41.023 39.000 0.125 0.000 1.146 240 F HN 0.317 nan 8.300 nan 0.000 0.444 241 V N 5.330 125.286 119.914 0.071 0.000 2.432 241 V HA 0.274 4.390 4.120 -0.006 0.000 0.271 241 V C 0.178 176.298 176.094 0.044 0.000 1.046 241 V CA -0.383 61.889 62.300 -0.046 0.000 0.945 241 V CB 0.700 32.270 31.823 -0.421 0.000 0.992 241 V HN 0.529 nan 8.190 nan 0.000 0.471 242 I N 4.027 124.661 120.570 0.106 0.000 2.355 242 I HA 0.347 4.513 4.170 -0.006 0.000 0.288 242 I C 0.034 176.223 176.117 0.121 0.000 0.999 242 I CA -0.440 60.927 61.300 0.110 0.000 1.163 242 I CB 1.546 39.666 38.000 0.200 0.000 1.316 242 I HN 0.514 nan 8.210 nan 0.000 0.454 243 D N 4.088 124.532 120.400 0.074 0.000 2.358 243 D HA 0.404 5.041 4.640 -0.006 0.000 0.244 243 D C 0.583 176.926 176.300 0.073 0.000 1.163 243 D CA 0.226 54.275 54.000 0.082 0.000 0.945 243 D CB 1.559 42.386 40.800 0.046 0.000 1.152 243 D HN 0.596 nan 8.370 nan 0.000 0.451 244 G N 0.020 108.863 108.800 0.072 0.000 2.694 244 G HA2 0.186 4.143 3.960 -0.006 0.000 0.212 244 G HA3 0.186 4.143 3.960 -0.006 0.000 0.212 244 G C -1.845 173.069 174.900 0.024 0.000 2.030 244 G CA -0.303 44.824 45.100 0.045 0.000 0.731 244 G HN 0.562 nan 8.290 nan 0.000 0.795 245 P HA 0.282 nan 4.420 nan 0.000 0.254 245 P C -0.249 177.066 177.300 0.025 0.000 1.494 245 P CA 0.339 63.463 63.100 0.040 0.000 0.961 245 P CB 0.848 32.570 31.700 0.036 0.000 1.493 246 T N 0.166 114.723 114.554 0.006 0.000 2.908 246 T HA 0.417 4.764 4.350 -0.006 0.000 0.290 246 T C -2.048 172.635 174.700 -0.028 0.000 1.034 246 T CA -2.463 59.627 62.100 -0.016 0.000 1.010 246 T CB 1.481 70.333 68.868 -0.027 0.000 1.068 246 T HN -0.315 nan 8.240 nan 0.000 0.481 247 P HA -0.088 nan 4.420 nan 0.000 0.215 247 P C 1.233 178.501 177.300 -0.052 0.000 1.157 247 P CA 1.423 64.480 63.100 -0.071 0.000 0.874 247 P CB 0.201 31.826 31.700 -0.125 0.000 0.790 248 K N -0.830 119.531 120.400 -0.065 0.000 2.097 248 K HA -0.064 4.253 4.320 -0.006 0.000 0.206 248 K C 2.112 178.686 176.600 -0.043 0.000 1.049 248 K CA 1.429 57.678 56.287 -0.063 0.000 0.933 248 K CB -0.566 31.887 32.500 -0.078 0.000 0.717 248 K HN 0.055 nan 8.250 nan 0.000 0.442 249 A N 1.001 123.802 122.820 -0.031 0.000 1.930 249 A HA -0.098 4.219 4.320 -0.006 0.000 0.217 249 A C 2.330 179.916 177.584 0.002 0.000 1.175 249 A CA 1.145 53.171 52.037 -0.019 0.000 0.627 249 A CB -0.516 18.476 19.000 -0.013 0.000 0.815 249 A HN 0.051 nan 8.150 nan 0.000 0.443 250 V N 0.200 120.128 119.914 0.024 0.000 2.255 250 V HA -0.276 3.840 4.120 -0.006 0.000 0.247 250 V C 2.528 178.673 176.094 0.086 0.000 1.051 250 V CA 2.069 64.415 62.300 0.078 0.000 1.018 250 V CB -0.756 31.130 31.823 0.105 0.000 0.641 250 V HN 0.586 nan 8.190 nan 0.000 0.445 251 L N 0.039 121.287 121.223 0.042 0.000 2.201 251 L HA -0.155 4.181 4.340 -0.006 0.000 0.212 251 L C 2.361 179.217 176.870 -0.023 0.000 1.105 251 L CA 1.532 56.375 54.840 0.005 0.000 0.775 251 L CB -0.572 41.465 42.059 -0.035 0.000 0.913 251 L HN 0.434 nan 8.230 nan 0.000 0.440 252 D N 0.469 120.850 120.400 -0.033 0.000 2.084 252 D HA -0.167 4.470 4.640 -0.006 0.000 0.196 252 D C 2.295 178.559 176.300 -0.059 0.000 0.985 252 D CA 1.370 55.336 54.000 -0.057 0.000 0.826 252 D CB 0.125 40.895 40.800 -0.051 0.000 0.978 252 D HN 0.071 nan 8.370 nan 0.000 0.456 253 R N -1.173 119.307 120.500 -0.033 0.000 2.081 253 R HA -0.164 4.172 4.340 -0.006 0.000 0.235 253 R C 2.375 178.650 176.300 -0.042 0.000 1.131 253 R CA 1.247 57.321 56.100 -0.044 0.000 0.960 253 R CB -0.524 29.759 30.300 -0.030 0.000 0.856 253 R HN 0.315 nan 8.270 nan 0.000 0.436 254 Y N 1.563 121.785 120.300 -0.130 0.000 2.097 254 Y HA -0.267 4.280 4.550 -0.006 0.000 0.282 254 Y C 2.555 178.311 175.900 -0.240 0.000 1.152 254 Y CA 2.177 60.144 58.100 -0.222 0.000 1.136 254 Y CB -0.612 37.516 38.460 -0.554 0.000 0.975 254 Y HN 0.119 nan 8.280 nan 0.000 0.498 255 T N -1.352 112.991 114.554 -0.352 0.000 2.995 255 T HA -0.135 4.212 4.350 -0.006 0.000 0.269 255 T C 2.012 176.518 174.700 -0.324 0.000 1.091 255 T CA 1.171 63.017 62.100 -0.425 0.000 1.128 255 T CB -0.459 68.242 68.868 -0.279 0.000 0.891 255 T HN 0.442 nan 8.240 nan 0.000 0.492 256 R N -0.581 119.794 120.500 -0.209 0.000 2.075 256 R HA -0.038 4.299 4.340 -0.006 0.000 0.232 256 R C 2.160 178.387 176.300 -0.122 0.000 1.126 256 R CA 1.179 57.193 56.100 -0.144 0.000 0.963 256 R CB -0.521 29.721 30.300 -0.097 0.000 0.858 256 R HN 0.377 nan 8.270 nan 0.000 0.435 257 F N 1.295 121.033 119.950 -0.355 0.000 2.102 257 F HA -0.146 4.378 4.527 -0.005 0.000 0.298 257 F C 2.218 177.750 175.800 -0.446 0.000 1.105 257 F CA 2.120 59.886 58.000 -0.390 0.000 1.239 257 F CB -0.587 38.151 39.000 -0.438 0.000 0.991 257 F HN 0.209 nan 8.300 nan 0.000 0.474 258 T N -2.810 111.349 114.554 -0.659 0.000 2.971 258 T HA 0.524 4.871 4.350 -0.006 0.000 0.252 258 T C 0.724 175.083 174.700 -0.568 0.000 1.022 258 T CA 0.378 62.016 62.100 -0.771 0.000 0.980 258 T CB 0.146 68.386 68.868 -1.047 0.000 1.044 258 T HN 0.600 nan 8.240 nan 0.000 0.501 259 G N 0.820 109.322 108.800 -0.497 0.000 2.397 259 G HA2 0.326 4.283 3.960 -0.006 0.000 0.453 259 G HA3 0.326 4.283 3.960 -0.006 0.000 0.453 259 G C -1.448 173.210 174.900 -0.403 0.000 1.579 259 G CA -1.327 43.527 45.100 -0.411 0.000 0.906 259 G HN 0.370 nan 8.290 nan 0.000 0.675 260 R N 2.075 122.389 120.500 -0.309 0.000 2.308 260 R HA 0.628 4.964 4.340 -0.006 0.000 0.305 260 R C -2.153 173.992 176.300 -0.259 0.000 1.053 260 R CA -1.826 54.127 56.100 -0.246 0.000 0.957 260 R CB 0.630 30.833 30.300 -0.160 0.000 1.022 260 R HN 0.363 nan 8.270 nan 0.000 0.461 261 P HA -0.051 nan 4.420 nan 0.000 0.261 261 P C -0.873 176.414 177.300 -0.022 0.000 1.173 261 P CA 0.295 63.331 63.100 -0.107 0.000 0.760 261 P CB 0.577 32.292 31.700 0.024 0.000 0.783 262 A N 3.730 126.506 122.820 -0.072 0.000 2.406 262 A HA 0.289 4.606 4.320 -0.006 0.000 0.243 262 A C -0.187 177.448 177.584 0.086 0.000 1.082 262 A CA -0.209 51.844 52.037 0.028 0.000 0.786 262 A CB -0.161 18.897 19.000 0.097 0.000 1.029 262 A HN 0.568 nan 8.150 nan 0.000 0.495 263 L N 2.684 123.954 121.223 0.078 0.000 2.261 263 L HA 0.507 4.843 4.340 -0.006 0.000 0.289 263 L C -2.318 174.549 176.870 -0.005 0.000 1.059 263 L CA -1.939 52.904 54.840 0.005 0.000 0.816 263 L CB 0.536 42.606 42.059 0.018 0.000 1.191 263 L HN 0.348 nan 8.230 nan 0.000 0.431 264 P HA 0.270 nan 4.420 nan 0.000 0.272 264 P C -2.671 174.727 177.300 0.164 0.000 1.223 264 P CA -1.114 61.946 63.100 -0.066 0.000 0.784 264 P CB -0.165 31.365 31.700 -0.283 0.000 0.923 265 P HA 0.009 nan 4.420 nan 0.000 0.271 265 P C 0.257 177.535 177.300 -0.036 0.000 1.218 265 P CA 0.056 63.101 63.100 -0.092 0.000 0.780 265 P CB 0.685 32.106 31.700 -0.464 0.000 0.901 266 A N 4.503 127.343 122.820 0.033 0.000 1.940 266 A HA -0.168 4.148 4.320 -0.006 0.000 0.219 266 A C 2.022 179.745 177.584 0.231 0.000 1.176 266 A CA 1.568 53.642 52.037 0.062 0.000 0.631 266 A CB -1.730 17.148 19.000 -0.205 0.000 0.814 266 A HN 0.836 nan 8.150 nan 0.000 0.446 267 W N 0.763 122.165 121.300 0.170 0.000 2.392 267 W HA -0.148 4.509 4.660 -0.006 0.000 0.279 267 W C 1.848 178.470 176.519 0.171 0.000 1.225 267 W CA 1.286 58.695 57.345 0.106 0.000 1.233 267 W CB -1.331 28.142 29.460 0.021 0.000 1.122 267 W HN 0.525 nan 8.180 nan 0.000 0.561 268 S N 0.623 116.238 115.700 -0.141 0.000 2.474 268 S HA -0.181 4.285 4.470 -0.006 0.000 0.235 268 S C 1.433 176.213 174.600 0.301 0.000 0.997 268 S CA 0.737 58.972 58.200 0.057 0.000 0.949 268 S CB -1.392 61.633 63.200 -0.292 0.000 0.766 268 S HN 0.209 nan 8.310 nan 0.000 0.517 269 F N 2.554 122.565 119.950 0.103 0.000 2.802 269 F HA 0.322 4.845 4.527 -0.006 0.000 0.300 269 F C 1.972 177.836 175.800 0.107 0.000 1.168 269 F CA -0.063 57.913 58.000 -0.040 0.000 1.433 269 F CB -0.575 38.400 39.000 -0.041 0.000 1.115 269 F HN 0.337 nan 8.300 nan 0.000 0.582 270 G N 0.069 109.065 108.800 0.328 0.000 2.516 270 G HA2 0.277 4.233 3.960 -0.006 0.000 0.276 270 G HA3 0.277 4.233 3.960 -0.006 0.000 0.276 270 G C -0.970 174.248 174.900 0.531 0.000 1.390 270 G CA -0.584 44.696 45.100 0.299 0.000 1.050 270 G HN -0.032 nan 8.290 nan 0.000 0.519 271 L N 0.043 121.661 121.223 0.658 0.000 2.313 271 L HA 0.421 4.758 4.340 -0.006 0.000 0.282 271 L C -0.991 176.100 176.870 0.368 0.000 1.092 271 L CA -0.992 54.101 54.840 0.422 0.000 0.831 271 L CB 0.125 42.336 42.059 0.254 0.000 1.159 271 L HN 0.384 nan 8.230 nan 0.000 0.442 272 W N 6.430 127.757 121.300 0.046 0.000 2.351 272 W HA 0.516 5.173 4.660 -0.006 0.000 0.311 272 W C -0.256 176.198 176.519 -0.108 0.000 1.168 272 W CA -0.489 56.822 57.345 -0.057 0.000 1.200 272 W CB 0.654 29.989 29.460 -0.208 0.000 1.221 272 W HN 0.297 nan 8.180 nan 0.000 0.519 273 L N 2.647 123.917 121.223 0.078 0.000 2.342 273 L HA 0.648 4.984 4.340 -0.006 0.000 0.271 273 L C -0.247 176.419 176.870 -0.341 0.000 1.008 273 L CA -0.365 54.464 54.840 -0.018 0.000 0.818 273 L CB 2.338 44.482 42.059 0.142 0.000 1.296 273 L HN 0.321 nan 8.230 nan 0.000 0.427 274 T N -0.072 114.322 114.554 -0.267 0.000 2.932 274 T HA 0.219 4.565 4.350 -0.006 0.000 0.289 274 T C 1.053 175.632 174.700 -0.202 0.000 1.039 274 T CA -0.101 61.791 62.100 -0.347 0.000 1.024 274 T CB 1.745 70.625 68.868 0.021 0.000 1.090 274 T HN 0.786 nan 8.240 nan 0.000 0.496 275 T N -0.093 114.280 114.554 -0.302 0.000 3.051 275 T HA 0.092 4.438 4.350 -0.006 0.000 0.269 275 T C 0.836 175.588 174.700 0.086 0.000 1.127 275 T CA 0.425 62.440 62.100 -0.142 0.000 1.107 275 T CB -0.298 67.970 68.868 -1.001 0.000 0.898 275 T HN 0.651 nan 8.240 nan 0.000 0.517 276 S N -0.191 115.613 115.700 0.174 0.000 3.859 276 S HA -0.152 4.314 4.470 -0.006 0.000 0.678 276 S C -0.030 174.806 174.600 0.394 0.000 1.658 276 S CA 0.105 58.429 58.200 0.206 0.000 1.761 276 S CB -1.320 61.908 63.200 0.046 0.000 0.350 276 S HN 0.468 nan 8.310 nan 0.000 1.312 277 F N 1.913 122.021 119.950 0.263 0.000 2.135 277 F HA 0.165 4.689 4.527 -0.006 0.000 0.280 277 F C 2.519 178.645 175.800 0.543 0.000 1.109 277 F CA 2.072 60.350 58.000 0.464 0.000 1.163 277 F CB -1.125 38.177 39.000 0.504 0.000 1.062 277 F HN 0.743 nan 8.300 nan 0.000 0.496 278 T N -1.131 113.375 114.554 -0.080 0.000 3.163 278 T HA 0.194 4.540 4.350 -0.006 0.000 0.252 278 T C 0.724 175.262 174.700 -0.269 0.000 1.056 278 T CA 0.284 62.184 62.100 -0.333 0.000 0.947 278 T CB -1.615 67.002 68.868 -0.418 0.000 1.016 278 T HN 0.370 nan 8.240 nan 0.000 0.554 279 T N 0.960 115.484 114.554 -0.049 0.000 2.701 279 T HA 0.214 4.560 4.350 -0.006 0.000 0.303 279 T C 0.114 174.808 174.700 -0.010 0.000 1.030 279 T CA -0.691 61.361 62.100 -0.079 0.000 1.010 279 T CB 0.020 68.795 68.868 -0.154 0.000 1.007 279 T HN 0.363 nan 8.240 nan 0.000 0.532 280 N N 0.939 119.669 118.700 0.051 0.000 2.529 280 N HA 0.517 5.253 4.740 -0.006 0.000 0.278 280 N C -1.281 174.432 175.510 0.338 0.000 1.146 280 N CA -0.548 52.511 53.050 0.015 0.000 0.980 280 N CB 0.433 38.930 38.487 0.016 0.000 1.124 280 N HN 0.776 nan 8.380 nan 0.000 0.458 281 Y N -1.092 119.254 120.300 0.075 0.000 2.465 281 Y HA 0.423 4.969 4.550 -0.006 0.000 0.323 281 Y C -1.584 174.309 175.900 -0.012 0.000 1.191 281 Y CA -1.325 56.844 58.100 0.115 0.000 1.082 281 Y CB 0.948 39.587 38.460 0.297 0.000 1.334 281 Y HN 0.443 nan 8.280 nan 0.000 0.449 282 D N 0.828 121.248 120.400 0.033 0.000 2.798 282 D HA 0.180 4.817 4.640 -0.006 0.000 0.308 282 D C 0.440 176.760 176.300 0.033 0.000 1.187 282 D CA -0.548 53.219 54.000 -0.389 0.000 1.033 282 D CB 1.410 42.021 40.800 -0.315 0.000 1.445 282 D HN 0.740 nan 8.370 nan 0.000 0.550 283 E N -0.063 120.171 120.200 0.056 0.000 2.085 283 E HA -0.181 4.165 4.350 -0.006 0.000 0.194 283 E C 1.946 178.573 176.600 0.046 0.000 0.994 283 E CA 1.643 58.175 56.400 0.219 0.000 0.801 283 E CB -0.343 29.458 29.700 0.169 0.000 0.743 283 E HN 0.476 nan 8.360 nan 0.000 0.453 284 A N 0.183 122.990 122.820 -0.021 0.000 1.940 284 A HA -0.199 4.118 4.320 -0.006 0.000 0.219 284 A C 2.370 179.885 177.584 -0.115 0.000 1.176 284 A CA 2.130 54.132 52.037 -0.059 0.000 0.631 284 A CB -0.962 18.005 19.000 -0.055 0.000 0.814 284 A HN 0.394 nan 8.150 nan 0.000 0.446 285 T N -0.516 113.950 114.554 -0.147 0.000 2.777 285 T HA -0.077 4.270 4.350 -0.006 0.000 0.266 285 T C 1.875 176.203 174.700 -0.620 0.000 1.040 285 T CA 1.396 63.287 62.100 -0.349 0.000 1.141 285 T CB -0.423 68.284 68.868 -0.268 0.000 0.868 285 T HN 0.167 nan 8.240 nan 0.000 0.444 286 V N 2.656 122.345 119.914 -0.374 0.000 2.261 286 V HA -0.195 3.921 4.120 -0.006 0.000 0.246 286 V C 2.548 178.387 176.094 -0.424 0.000 1.047 286 V CA 1.509 63.499 62.300 -0.515 0.000 1.015 286 V CB -0.647 30.961 31.823 -0.358 0.000 0.642 286 V HN 0.441 nan 8.190 nan 0.000 0.446 287 N N 0.019 118.576 118.700 -0.239 0.000 2.094 287 N HA -0.185 4.551 4.740 -0.006 0.000 0.191 287 N C 2.183 177.637 175.510 -0.092 0.000 1.023 287 N CA 1.860 54.819 53.050 -0.151 0.000 0.857 287 N CB -0.534 37.896 38.487 -0.095 0.000 1.013 287 N HN 0.415 nan 8.380 nan 0.000 0.426 288 S N 0.021 115.665 115.700 -0.094 0.000 2.380 288 S HA -0.119 4.348 4.470 -0.006 0.000 0.229 288 S C 1.683 176.466 174.600 0.305 0.000 1.043 288 S CA 0.993 59.219 58.200 0.042 0.000 1.038 288 S CB -0.203 62.998 63.200 0.001 0.000 0.872 288 S HN 0.208 nan 8.310 nan 0.000 0.456 289 F N 1.155 121.132 119.950 0.045 0.000 2.128 289 F HA 0.167 4.691 4.527 -0.006 0.000 0.295 289 F C 2.192 178.082 175.800 0.149 0.000 1.100 289 F CA -0.014 58.093 58.000 0.179 0.000 1.260 289 F CB -1.245 37.808 39.000 0.089 0.000 1.009 289 F HN 0.220 nan 8.300 nan 0.000 0.476 290 I N 0.046 120.706 120.570 0.150 0.000 2.179 290 I HA -0.288 3.879 4.170 -0.006 0.000 0.242 290 I C 2.017 178.154 176.117 0.032 0.000 1.088 290 I CA 1.495 62.816 61.300 0.035 0.000 1.357 290 I CB -0.492 37.437 38.000 -0.118 0.000 1.051 290 I HN -0.001 nan 8.210 nan 0.000 0.409 291 D N 1.048 121.451 120.400 0.005 0.000 2.144 291 D HA -0.126 4.510 4.640 -0.006 0.000 0.199 291 D C 2.202 178.460 176.300 -0.070 0.000 0.984 291 D CA 1.511 55.490 54.000 -0.035 0.000 0.834 291 D CB -0.625 40.146 40.800 -0.048 0.000 0.955 291 D HN 0.387 nan 8.370 nan 0.000 0.465 292 G N 0.511 109.276 108.800 -0.057 0.000 2.442 292 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.219 292 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.219 292 G C 1.537 176.233 174.900 -0.339 0.000 1.141 292 G CA 0.602 45.475 45.100 -0.378 0.000 0.763 292 G HN 0.104 nan 8.290 nan 0.000 0.554 293 M N 1.056 120.707 119.600 0.085 0.000 2.099 293 M HA 0.120 4.597 4.480 -0.006 0.000 0.262 293 M C 3.043 179.359 176.300 0.027 0.000 1.067 293 M CA 1.220 56.617 55.300 0.161 0.000 1.124 293 M CB -1.311 31.406 32.600 0.196 0.000 1.353 293 M HN 0.309 nan 8.290 nan 0.000 0.410 294 A N 0.141 122.955 122.820 -0.010 0.000 1.865 294 A HA -0.197 4.120 4.320 -0.006 0.000 0.217 294 A C 2.055 179.605 177.584 -0.056 0.000 1.191 294 A CA 1.924 53.941 52.037 -0.034 0.000 0.623 294 A CB -0.906 18.069 19.000 -0.042 0.000 0.826 294 A HN 0.575 nan 8.150 nan 0.000 0.444 295 E N -0.792 119.351 120.200 -0.096 0.000 2.267 295 E HA -0.168 4.178 4.350 -0.006 0.000 0.197 295 E C 1.580 178.117 176.600 -0.106 0.000 0.998 295 E CA 0.990 57.321 56.400 -0.114 0.000 0.830 295 E CB -0.090 29.509 29.700 -0.169 0.000 0.751 295 E HN 0.524 nan 8.360 nan 0.000 0.491 296 R N 0.443 120.883 120.500 -0.100 0.000 2.427 296 R HA 0.149 4.486 4.340 -0.006 0.000 0.262 296 R C -0.199 176.102 176.300 0.001 0.000 0.943 296 R CA -0.123 55.946 56.100 -0.051 0.000 1.081 296 R CB 0.261 30.536 30.300 -0.042 0.000 1.166 296 R HN 0.063 nan 8.270 nan 0.000 0.534 297 N N 1.301 119.996 118.700 -0.008 0.000 2.727 297 N HA -0.196 4.540 4.740 -0.006 0.000 0.249 297 N C -0.968 174.561 175.510 0.032 0.000 1.048 297 N CA 0.882 53.936 53.050 0.006 0.000 0.714 297 N CB -0.902 37.587 38.487 0.003 0.000 0.959 297 N HN 0.330 nan 8.380 nan 0.000 0.544 298 L N 0.799 122.050 121.223 0.048 0.000 2.259 298 L HA 0.361 4.697 4.340 -0.006 0.000 0.288 298 L C -1.923 174.965 176.870 0.029 0.000 1.051 298 L CA -1.529 53.356 54.840 0.076 0.000 0.824 298 L CB 0.838 42.984 42.059 0.145 0.000 1.206 298 L HN -0.270 nan 8.230 nan 0.000 0.429 299 P HA 0.070 nan 4.420 nan 0.000 0.267 299 P C -0.917 176.233 177.300 -0.249 0.000 1.200 299 P CA -0.006 63.036 63.100 -0.096 0.000 0.772 299 P CB 0.730 32.445 31.700 0.025 0.000 0.855 300 L N 3.427 124.349 121.223 -0.502 0.000 2.505 300 L HA 0.279 4.616 4.340 -0.006 0.000 0.266 300 L C -0.243 176.275 176.870 -0.587 0.000 0.954 300 L CA -0.285 54.305 54.840 -0.417 0.000 0.852 300 L CB 1.504 43.502 42.059 -0.101 0.000 1.282 300 L HN 0.536 nan 8.230 nan 0.000 0.403 301 H N 2.840 121.930 119.070 0.033 0.000 3.017 301 H HA 0.438 4.991 4.556 -0.006 0.000 0.255 301 H C -0.379 174.855 175.328 -0.157 0.000 0.990 301 H CA -0.003 56.033 56.048 -0.019 0.000 1.205 301 H CB 1.484 31.288 29.762 0.070 0.000 1.460 301 H HN 0.208 nan 8.280 nan 0.000 0.478 302 V N 1.078 120.895 119.914 -0.161 0.000 2.733 302 V HA 0.207 4.323 4.120 -0.006 0.000 0.306 302 V C -1.535 174.447 176.094 -0.187 0.000 1.084 302 V CA -0.936 61.117 62.300 -0.412 0.000 0.905 302 V CB 2.446 33.531 31.823 -1.232 0.000 1.010 302 V HN 0.091 nan 8.190 nan 0.000 0.424 303 F N 3.529 123.326 119.950 -0.255 0.000 2.469 303 F HA 0.741 5.265 4.527 -0.006 0.000 0.332 303 F C -0.300 175.407 175.800 -0.154 0.000 1.103 303 F CA -0.401 57.489 58.000 -0.182 0.000 0.979 303 F CB 1.500 40.373 39.000 -0.212 0.000 1.137 303 F HN 0.716 nan 8.300 nan 0.000 0.463 304 H N 5.079 123.555 119.070 -0.991 0.000 2.505 304 H HA 0.415 4.968 4.556 -0.006 0.000 0.338 304 H C -1.620 173.304 175.328 -0.674 0.000 1.057 304 H CA -0.742 54.968 56.048 -0.562 0.000 1.202 304 H CB 0.757 30.294 29.762 -0.375 0.000 1.466 304 H HN 0.481 nan 8.280 nan 0.000 0.499 305 F N 4.181 123.675 119.950 -0.760 0.000 2.413 305 F HA 0.151 4.675 4.527 -0.006 0.000 0.359 305 F C 0.794 176.284 175.800 -0.517 0.000 1.122 305 F CA -0.280 57.440 58.000 -0.467 0.000 1.160 305 F CB 0.349 39.166 39.000 -0.304 0.000 1.146 305 F HN 0.636 nan 8.300 nan 0.000 0.514 306 D N 1.292 121.661 120.400 -0.053 0.000 2.440 306 D HA 0.115 4.751 4.640 -0.006 0.000 0.269 306 D C 1.199 177.713 176.300 0.357 0.000 1.249 306 D CA -0.507 53.651 54.000 0.264 0.000 1.055 306 D CB 0.798 41.835 40.800 0.394 0.000 1.104 306 D HN 0.566 nan 8.370 nan 0.000 0.561 307 C N -0.363 118.840 119.300 -0.163 0.000 2.385 307 C HA -0.198 4.258 4.460 -0.006 0.000 0.275 307 C C 2.289 176.720 174.990 -0.932 0.000 1.199 307 C CA 0.471 58.764 59.018 -1.208 0.000 1.782 307 C CB -1.282 25.218 27.740 -2.066 0.000 2.068 307 C HN 0.477 nan 8.230 nan 0.000 0.471 308 F N 1.291 121.189 119.950 -0.086 0.000 2.754 308 F HA 0.032 4.556 4.527 -0.006 0.000 0.303 308 F C 2.015 178.000 175.800 0.309 0.000 1.196 308 F CA 0.028 58.070 58.000 0.070 0.000 1.416 308 F CB -0.688 38.220 39.000 -0.153 0.000 1.092 308 F HN 0.591 nan 8.300 nan 0.000 0.541 309 W N -0.489 121.029 121.300 0.363 0.000 2.467 309 W HA 0.068 4.724 4.660 -0.006 0.000 0.275 309 W C 0.180 176.754 176.519 0.092 0.000 1.239 309 W CA 0.186 57.671 57.345 0.233 0.000 1.266 309 W CB -0.568 28.704 29.460 -0.313 0.000 1.112 309 W HN -0.049 nan 8.180 nan 0.000 0.576 310 M N 1.762 120.998 119.600 -0.606 0.000 2.359 310 M HA 0.228 4.705 4.480 -0.006 0.000 0.322 310 M C 0.320 176.674 176.300 0.090 0.000 1.166 310 M CA -0.307 54.746 55.300 -0.412 0.000 1.067 310 M CB 1.467 33.682 32.600 -0.642 0.000 1.523 310 M HN -0.335 nan 8.290 nan 0.000 0.467 311 K N 1.263 121.717 120.400 0.091 0.000 2.382 311 K HA 0.298 4.614 4.320 -0.006 0.000 0.275 311 K C -0.280 176.243 176.600 -0.129 0.000 1.009 311 K CA -0.367 55.956 56.287 0.060 0.000 0.970 311 K CB 0.615 33.138 32.500 0.038 0.000 0.934 311 K HN 0.741 nan 8.250 nan 0.000 0.479 312 A N 2.844 125.478 122.820 -0.310 0.000 2.561 312 A HA 0.050 4.367 4.320 -0.006 0.000 0.234 312 A C 0.048 177.088 177.584 -0.907 0.000 1.055 312 A CA 0.199 51.663 52.037 -0.955 0.000 0.756 312 A CB -0.584 17.862 19.000 -0.924 0.000 0.986 312 A HN 0.795 nan 8.150 nan 0.000 0.505 313 F N -1.253 118.091 119.950 -1.010 0.000 2.871 313 F HA -0.255 4.268 4.527 -0.006 0.000 0.326 313 F C 1.225 176.758 175.800 -0.446 0.000 0.675 313 F CA 1.726 59.325 58.000 -0.669 0.000 1.188 313 F CB -1.984 36.771 39.000 -0.409 0.000 1.567 313 F HN 0.745 nan 8.300 nan 0.000 0.325 314 Q N -1.525 118.093 119.800 -0.303 0.000 2.159 314 Q HA 0.069 4.406 4.340 -0.006 0.000 0.217 314 Q C -0.098 175.965 176.000 0.105 0.000 0.818 314 Q CA -0.393 55.388 55.803 -0.037 0.000 1.008 314 Q CB 0.400 29.147 28.738 0.014 0.000 1.148 314 Q HN 0.297 nan 8.270 nan 0.000 0.491 315 W N 0.362 121.620 121.300 -0.070 0.000 2.295 315 W HA -0.011 4.646 4.660 -0.006 0.000 0.335 315 W C 0.868 177.507 176.519 0.200 0.000 1.351 315 W CA -0.957 56.396 57.345 0.014 0.000 1.273 315 W CB -0.116 29.337 29.460 -0.013 0.000 1.214 315 W HN 0.181 nan 8.180 nan 0.000 0.563 316 C N 3.779 123.326 119.300 0.410 0.000 4.454 316 C HA -0.264 4.193 4.460 -0.006 0.000 0.301 316 C C 1.423 176.343 174.990 -0.116 0.000 1.366 316 C CA 0.902 59.941 59.018 0.035 0.000 2.016 316 C CB -2.262 25.459 27.740 -0.032 0.000 1.253 316 C HN 0.735 nan 8.230 nan 0.000 0.770 317 D N -1.402 118.960 120.400 -0.062 0.000 2.389 317 D HA 0.145 4.782 4.640 -0.006 0.000 0.206 317 D C 0.953 177.383 176.300 0.217 0.000 1.055 317 D CA 0.392 54.501 54.000 0.181 0.000 0.856 317 D CB -0.261 40.700 40.800 0.269 0.000 0.957 317 D HN 0.547 nan 8.370 nan 0.000 0.509 318 F N -0.226 119.757 119.950 0.055 0.000 2.746 318 F HA -0.182 4.341 4.527 -0.006 0.000 0.315 318 F C -0.275 175.609 175.800 0.140 0.000 0.666 318 F CA 0.372 58.424 58.000 0.087 0.000 1.381 318 F CB -1.885 37.166 39.000 0.086 0.000 1.739 318 F HN -0.048 nan 8.300 nan 0.000 0.322 319 E N 0.263 120.554 120.200 0.151 0.000 2.156 319 E HA 0.221 4.567 4.350 -0.006 0.000 0.279 319 E C -0.286 176.443 176.600 0.216 0.000 0.965 319 E CA -0.659 55.896 56.400 0.258 0.000 0.789 319 E CB 0.556 30.395 29.700 0.233 0.000 1.098 319 E HN 0.197 nan 8.360 nan 0.000 0.397 320 W N 1.679 123.227 121.300 0.413 0.000 2.210 320 W HA -0.013 4.643 4.660 -0.006 0.000 0.330 320 W C 0.978 177.699 176.519 0.335 0.000 1.334 320 W CA 0.128 57.763 57.345 0.483 0.000 1.227 320 W CB 0.380 30.072 29.460 0.387 0.000 1.178 320 W HN 0.318 nan 8.180 nan 0.000 0.560 321 D N 4.641 125.384 120.400 0.572 0.000 2.412 321 D HA 0.010 4.646 4.640 -0.006 0.000 0.257 321 D C -1.463 175.069 176.300 0.387 0.000 1.217 321 D CA -1.496 52.746 54.000 0.402 0.000 0.897 321 D CB 1.245 42.265 40.800 0.367 0.000 1.132 321 D HN 0.052 nan 8.370 nan 0.000 0.493 322 P HA 0.011 nan 4.420 nan 0.000 0.233 322 P C 1.290 178.670 177.300 0.133 0.000 1.167 322 P CA 0.563 63.785 63.100 0.205 0.000 0.770 322 P CB 0.270 32.063 31.700 0.155 0.000 0.837 323 L N -1.001 120.286 121.223 0.106 0.000 2.127 323 L HA -0.010 4.327 4.340 -0.006 0.000 0.203 323 L C 2.285 179.142 176.870 -0.022 0.000 1.080 323 L CA 1.888 56.750 54.840 0.037 0.000 0.768 323 L CB -1.571 40.501 42.059 0.021 0.000 0.924 323 L HN 0.055 nan 8.230 nan 0.000 0.444 324 T N -3.235 111.286 114.554 -0.056 0.000 3.044 324 T HA 0.067 4.413 4.350 -0.006 0.000 0.255 324 T C 0.448 174.824 174.700 -0.539 0.000 1.073 324 T CA 0.319 62.217 62.100 -0.337 0.000 1.125 324 T CB -0.057 68.509 68.868 -0.502 0.000 0.908 324 T HN 0.025 nan 8.240 nan 0.000 0.480 325 F N 1.844 121.924 119.950 0.218 0.000 2.622 325 F HA 0.444 4.967 4.527 -0.006 0.000 0.338 325 F C -2.276 173.576 175.800 0.087 0.000 1.334 325 F CA -2.758 55.348 58.000 0.177 0.000 1.179 325 F CB 1.710 40.918 39.000 0.347 0.000 1.471 325 F HN -0.054 nan 8.300 nan 0.000 0.576 326 P HA -0.091 nan 4.420 nan 0.000 0.223 326 P C 0.235 177.552 177.300 0.028 0.000 1.151 326 P CA 1.260 64.409 63.100 0.082 0.000 0.787 326 P CB 0.408 32.131 31.700 0.039 0.000 0.788 327 D N -1.536 118.854 120.400 -0.017 0.000 2.513 327 D HA 0.178 4.814 4.640 -0.006 0.000 0.295 327 D C -1.970 174.184 176.300 -0.243 0.000 1.202 327 D CA -2.250 51.690 54.000 -0.100 0.000 0.849 327 D CB 0.415 41.173 40.800 -0.070 0.000 1.116 327 D HN -0.127 nan 8.370 nan 0.000 0.502 328 P HA -0.129 nan 4.420 nan 0.000 0.214 328 P C 1.260 178.153 177.300 -0.678 0.000 1.163 328 P CA 0.967 63.493 63.100 -0.956 0.000 0.883 328 P CB 0.477 31.231 31.700 -1.577 0.000 0.788 329 E N -0.585 119.353 120.200 -0.436 0.000 2.047 329 E HA -0.124 4.222 4.350 -0.006 0.000 0.191 329 E C 2.230 178.693 176.600 -0.228 0.000 0.987 329 E CA 1.316 57.539 56.400 -0.295 0.000 0.799 329 E CB -0.986 28.596 29.700 -0.196 0.000 0.752 329 E HN 0.100 nan 8.360 nan 0.000 0.449 330 G N 1.681 110.367 108.800 -0.190 0.000 2.553 330 G HA2 -0.390 3.566 3.960 -0.006 0.000 0.218 330 G HA3 -0.390 3.566 3.960 -0.006 0.000 0.218 330 G C 1.572 176.386 174.900 -0.144 0.000 1.195 330 G CA 1.263 46.279 45.100 -0.139 0.000 0.779 330 G HN 0.348 nan 8.290 nan 0.000 0.577 331 M N -0.039 119.458 119.600 -0.171 0.000 2.073 331 M HA -0.093 4.383 4.480 -0.006 0.000 0.258 331 M C 2.593 178.806 176.300 -0.144 0.000 1.070 331 M CA 1.759 56.977 55.300 -0.136 0.000 1.103 331 M CB -0.296 32.225 32.600 -0.132 0.000 1.321 331 M HN 0.284 nan 8.290 nan 0.000 0.405 332 I N -0.299 120.133 120.570 -0.231 0.000 2.127 332 I HA -0.353 3.814 4.170 -0.006 0.000 0.241 332 I C 2.755 178.789 176.117 -0.137 0.000 1.075 332 I CA 1.634 62.824 61.300 -0.185 0.000 1.334 332 I CB -0.621 37.227 38.000 -0.252 0.000 1.040 332 I HN 0.400 nan 8.210 nan 0.000 0.405 333 R N 0.925 121.338 120.500 -0.144 0.000 2.094 333 R HA -0.245 4.092 4.340 -0.006 0.000 0.239 333 R C 2.492 178.730 176.300 -0.102 0.000 1.137 333 R CA 1.908 57.937 56.100 -0.119 0.000 0.943 333 R CB -0.281 29.951 30.300 -0.113 0.000 0.850 333 R HN 0.225 nan 8.270 nan 0.000 0.433 334 R N 0.190 120.633 120.500 -0.095 0.000 2.117 334 R HA -0.120 4.216 4.340 -0.006 0.000 0.243 334 R C 2.389 178.640 176.300 -0.083 0.000 1.143 334 R CA 1.653 57.704 56.100 -0.081 0.000 0.968 334 R CB -0.214 30.042 30.300 -0.073 0.000 0.863 334 R HN 0.294 nan 8.270 nan 0.000 0.444 335 L N -0.219 120.954 121.223 -0.083 0.000 2.072 335 L HA -0.136 4.200 4.340 -0.006 0.000 0.205 335 L C 2.344 179.156 176.870 -0.097 0.000 1.079 335 L CA 1.180 55.968 54.840 -0.087 0.000 0.752 335 L CB -0.290 41.734 42.059 -0.058 0.000 0.906 335 L HN 0.067 nan 8.230 nan 0.000 0.436 336 K N 0.301 120.638 120.400 -0.106 0.000 2.283 336 K HA -0.083 4.233 4.320 -0.006 0.000 0.202 336 K C 2.008 178.541 176.600 -0.112 0.000 1.048 336 K CA 1.028 57.239 56.287 -0.126 0.000 0.948 336 K CB -0.067 32.351 32.500 -0.138 0.000 0.742 336 K HN 0.268 nan 8.250 nan 0.000 0.458 337 A N 0.806 123.569 122.820 -0.096 0.000 1.930 337 A HA -0.148 4.169 4.320 -0.006 0.000 0.217 337 A C 1.582 179.119 177.584 -0.078 0.000 1.175 337 A CA 1.435 53.422 52.037 -0.083 0.000 0.627 337 A CB -0.280 18.675 19.000 -0.074 0.000 0.815 337 A HN 0.263 nan 8.150 nan 0.000 0.443 338 K N -0.990 119.362 120.400 -0.080 0.000 2.574 338 K HA 0.132 4.449 4.320 -0.006 0.000 0.193 338 K C 1.146 177.702 176.600 -0.074 0.000 1.035 338 K CA 0.502 56.745 56.287 -0.074 0.000 0.982 338 K CB -0.269 32.184 32.500 -0.077 0.000 0.795 338 K HN 0.710 nan 8.250 nan 0.000 0.491 339 G N 0.894 109.642 108.800 -0.087 0.000 2.199 339 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.254 339 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.254 339 G C 0.095 174.925 174.900 -0.118 0.000 0.982 339 G CA -0.257 44.789 45.100 -0.090 0.000 0.632 339 G HN 0.168 nan 8.290 nan 0.000 0.529 340 L N 1.129 122.276 121.223 -0.126 0.000 2.456 340 L HA 0.341 4.678 4.340 -0.006 0.000 0.272 340 L C 0.921 177.634 176.870 -0.261 0.000 1.189 340 L CA -0.179 54.569 54.840 -0.154 0.000 0.846 340 L CB 0.469 42.461 42.059 -0.112 0.000 1.111 340 L HN -0.031 nan 8.230 nan 0.000 0.475 341 K N 3.411 123.581 120.400 -0.383 0.000 2.118 341 K HA 0.560 4.876 4.320 -0.006 0.000 0.264 341 K C -0.585 175.784 176.600 -0.384 0.000 1.000 341 K CA -0.438 55.501 56.287 -0.581 0.000 0.929 341 K CB 1.728 33.523 32.500 -1.175 0.000 1.021 341 K HN 0.395 nan 8.250 nan 0.000 0.463 342 I N 0.879 121.251 120.570 -0.330 0.000 2.465 342 I HA 0.204 4.371 4.170 -0.006 0.000 0.291 342 I C -0.390 175.631 176.117 -0.159 0.000 1.014 342 I CA -0.755 60.457 61.300 -0.147 0.000 1.093 342 I CB 1.837 39.817 38.000 -0.034 0.000 1.267 342 I HN 0.478 nan 8.210 nan 0.000 0.431 343 C N 7.133 126.406 119.300 -0.046 0.000 2.493 343 C HA 0.886 5.343 4.460 -0.006 0.000 0.326 343 C C -0.424 174.621 174.990 0.093 0.000 1.200 343 C CA -0.288 58.759 59.018 0.048 0.000 1.739 343 C CB 1.152 29.047 27.740 0.259 0.000 2.300 343 C HN 0.647 nan 8.230 nan 0.000 0.500 344 V N 2.487 122.445 119.914 0.073 0.000 2.876 344 V HA 0.664 4.780 4.120 -0.006 0.000 0.312 344 V C -0.862 175.506 176.094 0.457 0.000 1.085 344 V CA -0.871 61.432 62.300 0.005 0.000 0.945 344 V CB 1.417 32.963 31.823 -0.461 0.000 1.017 344 V HN 1.112 nan 8.190 nan 0.000 0.428 345 W N 5.962 127.496 121.300 0.390 0.000 2.253 345 W HA 0.662 5.319 4.660 -0.006 0.000 0.322 345 W C -0.155 176.691 176.519 0.545 0.000 1.342 345 W CA -0.040 57.618 57.345 0.520 0.000 1.218 345 W CB 0.698 30.400 29.460 0.404 0.000 1.205 345 W HN 0.870 nan 8.180 nan 0.000 0.551 346 I N 4.732 125.188 120.570 -0.188 0.000 3.145 346 I HA 0.663 4.829 4.170 -0.006 0.000 0.313 346 I C -0.886 174.634 176.117 -0.995 0.000 1.122 346 I CA -1.191 59.852 61.300 -0.428 0.000 0.987 346 I CB 2.258 40.314 38.000 0.093 0.000 1.236 346 I HN 0.608 nan 8.210 nan 0.000 0.453 347 N N 1.819 120.136 118.700 -0.638 0.000 3.039 347 N HA 0.528 5.265 4.740 -0.006 0.000 0.257 347 N C -2.955 172.494 175.510 -0.102 0.000 1.497 347 N CA -1.716 51.126 53.050 -0.347 0.000 0.861 347 N CB 1.530 39.742 38.487 -0.457 0.000 1.479 347 N HN 0.425 nan 8.380 nan 0.000 0.547 348 P HA 0.311 nan 4.420 nan 0.000 0.257 348 P C -1.184 176.278 177.300 0.270 0.000 1.737 348 P CA 0.178 63.182 63.100 -0.160 0.000 1.130 348 P CB -0.397 30.916 31.700 -0.645 0.000 1.572 349 Y N -0.063 120.441 120.300 0.339 0.000 2.633 349 Y HA 0.647 5.194 4.550 -0.006 0.000 0.339 349 Y C 0.263 176.325 175.900 0.270 0.000 1.045 349 Y CA -2.519 55.718 58.100 0.227 0.000 1.098 349 Y CB 1.408 40.024 38.460 0.260 0.000 1.296 349 Y HN -0.227 nan 8.280 nan 0.000 0.494 350 I N 0.421 121.178 120.570 0.313 0.000 2.644 350 I HA 0.723 4.889 4.170 -0.006 0.000 0.291 350 I C -0.340 175.971 176.117 0.325 0.000 1.180 350 I CA -0.514 60.962 61.300 0.293 0.000 1.040 350 I CB 1.837 39.917 38.000 0.133 0.000 1.255 350 I HN 0.741 nan 8.210 nan 0.000 0.422 351 G N 4.291 113.242 108.800 0.251 0.000 2.444 351 G HA2 0.161 4.117 3.960 -0.006 0.000 0.268 351 G HA3 0.161 4.117 3.960 -0.006 0.000 0.268 351 G C 0.243 175.141 174.900 -0.002 0.000 1.203 351 G CA -0.274 44.889 45.100 0.104 0.000 0.835 351 G HN 0.848 nan 8.290 nan 0.000 0.543 352 Q N 0.968 120.543 119.800 -0.375 0.000 2.181 352 Q HA -0.188 4.149 4.340 -0.006 0.000 0.205 352 Q C 2.253 177.985 176.000 -0.446 0.000 0.980 352 Q CA 1.785 57.004 55.803 -0.973 0.000 0.862 352 Q CB -0.060 28.127 28.738 -0.918 0.000 0.905 352 Q HN 0.702 nan 8.270 nan 0.000 0.429 353 K N 0.336 120.598 120.400 -0.231 0.000 2.211 353 K HA -0.092 4.225 4.320 -0.006 0.000 0.204 353 K C 0.555 177.146 176.600 -0.015 0.000 1.047 353 K CA 0.830 57.049 56.287 -0.114 0.000 0.935 353 K CB -0.128 32.333 32.500 -0.065 0.000 0.728 353 K HN 0.063 nan 8.250 nan 0.000 0.452 354 S N 0.956 116.682 115.700 0.044 0.000 2.533 354 S HA 0.104 4.570 4.470 -0.006 0.000 0.282 354 S C -1.851 172.843 174.600 0.157 0.000 1.304 354 S CA -1.442 56.834 58.200 0.127 0.000 1.063 354 S CB 0.964 64.283 63.200 0.198 0.000 0.881 354 S HN 0.067 nan 8.310 nan 0.000 0.493 355 P HA -0.101 nan 4.420 nan 0.000 0.219 355 P C 1.209 178.623 177.300 0.190 0.000 1.144 355 P CA 0.671 63.860 63.100 0.147 0.000 0.806 355 P CB 0.081 31.865 31.700 0.140 0.000 0.771 356 V N -1.898 118.162 119.914 0.244 0.000 3.041 356 V HA -0.148 3.968 4.120 -0.006 0.000 0.260 356 V C 1.933 178.144 176.094 0.194 0.000 1.105 356 V CA 0.919 63.386 62.300 0.279 0.000 1.125 356 V CB -1.148 30.933 31.823 0.429 0.000 0.730 356 V HN 0.038 nan 8.190 nan 0.000 0.479 357 F N 1.535 121.516 119.950 0.052 0.000 2.102 357 F HA -0.202 4.321 4.527 -0.006 0.000 0.298 357 F C 2.427 178.198 175.800 -0.049 0.000 1.105 357 F CA 2.294 60.285 58.000 -0.015 0.000 1.239 357 F CB -0.166 38.825 39.000 -0.015 0.000 0.991 357 F HN 0.001 nan 8.300 nan 0.000 0.474 358 K N 0.426 120.977 120.400 0.252 0.000 2.097 358 K HA -0.265 4.052 4.320 -0.006 0.000 0.206 358 K C 2.243 178.825 176.600 -0.030 0.000 1.049 358 K CA 1.753 58.113 56.287 0.122 0.000 0.933 358 K CB -0.408 32.163 32.500 0.120 0.000 0.717 358 K HN 0.482 nan 8.250 nan 0.000 0.442 359 E N 0.684 120.869 120.200 -0.026 0.000 2.085 359 E HA -0.217 4.130 4.350 -0.006 0.000 0.194 359 E C 2.068 178.502 176.600 -0.278 0.000 0.994 359 E CA 1.229 57.575 56.400 -0.089 0.000 0.801 359 E CB -0.065 29.649 29.700 0.023 0.000 0.743 359 E HN 0.335 nan 8.360 nan 0.000 0.453 360 L N 0.539 121.546 121.223 -0.360 0.000 2.056 360 L HA -0.191 4.146 4.340 -0.006 0.000 0.207 360 L C 2.972 179.563 176.870 -0.466 0.000 1.078 360 L CA 1.497 56.026 54.840 -0.520 0.000 0.749 360 L CB -0.527 41.209 42.059 -0.539 0.000 0.901 360 L HN 0.274 nan 8.230 nan 0.000 0.433 361 Q N 0.487 120.023 119.800 -0.441 0.000 2.030 361 Q HA -0.261 4.076 4.340 -0.006 0.000 0.204 361 Q C 2.057 177.927 176.000 -0.217 0.000 0.986 361 Q CA 1.945 57.556 55.803 -0.319 0.000 0.843 361 Q CB -0.007 28.587 28.738 -0.240 0.000 0.904 361 Q HN 0.500 nan 8.270 nan 0.000 0.420 362 E N 0.234 120.320 120.200 -0.190 0.000 2.085 362 E HA -0.201 4.145 4.350 -0.006 0.000 0.194 362 E C 1.942 178.420 176.600 -0.203 0.000 0.994 362 E CA 1.311 57.622 56.400 -0.147 0.000 0.801 362 E CB 0.027 29.662 29.700 -0.107 0.000 0.743 362 E HN 0.305 nan 8.360 nan 0.000 0.453 363 K N -0.662 119.521 120.400 -0.362 0.000 2.366 363 K HA 0.009 4.326 4.320 -0.006 0.000 0.198 363 K C 0.962 177.306 176.600 -0.427 0.000 1.044 363 K CA 0.511 56.473 56.287 -0.541 0.000 0.973 363 K CB 0.347 32.178 32.500 -1.115 0.000 0.767 363 K HN 0.254 nan 8.250 nan 0.000 0.475 364 G N 1.046 109.681 108.800 -0.276 0.000 2.182 364 G HA2 -0.235 3.721 3.960 -0.006 0.000 0.248 364 G HA3 -0.235 3.721 3.960 -0.006 0.000 0.248 364 G C 0.110 175.076 174.900 0.109 0.000 1.042 364 G CA -0.085 44.981 45.100 -0.058 0.000 0.775 364 G HN 0.239 nan 8.290 nan 0.000 0.501 365 Y N -0.605 119.616 120.300 -0.131 0.000 2.490 365 Y HA 0.407 4.954 4.550 -0.006 0.000 0.281 365 Y C 1.712 177.534 175.900 -0.131 0.000 1.174 365 Y CA -0.468 57.562 58.100 -0.118 0.000 1.295 365 Y CB 0.075 38.433 38.460 -0.170 0.000 1.062 365 Y HN 0.349 nan 8.280 nan 0.000 0.522 366 L N 0.281 121.472 121.223 -0.054 0.000 2.325 366 L HA 0.314 4.650 4.340 -0.006 0.000 0.278 366 L C -0.275 176.518 176.870 -0.129 0.000 1.023 366 L CA -1.370 53.371 54.840 -0.165 0.000 0.811 366 L CB 1.421 43.295 42.059 -0.308 0.000 1.249 366 L HN -0.194 nan 8.230 nan 0.000 0.431 367 L N 3.485 124.593 121.223 -0.191 0.000 2.640 367 L HA -0.030 4.306 4.340 -0.006 0.000 0.280 367 L C -0.131 176.623 176.870 -0.193 0.000 1.229 367 L CA 1.010 55.664 54.840 -0.310 0.000 0.919 367 L CB -0.316 41.415 42.059 -0.547 0.000 1.168 367 L HN 0.493 nan 8.230 nan 0.000 0.496 368 K N 5.395 125.680 120.400 -0.191 0.000 2.156 368 K HA 0.524 4.841 4.320 -0.006 0.000 0.250 368 K C -0.214 176.327 176.600 -0.099 0.000 0.955 368 K CA -0.933 55.298 56.287 -0.094 0.000 0.855 368 K CB 1.541 34.009 32.500 -0.053 0.000 1.101 368 K HN 0.552 nan 8.250 nan 0.000 0.434 369 R N 1.114 121.604 120.500 -0.016 0.000 2.637 369 R HA 0.078 4.414 4.340 -0.006 0.000 0.269 369 R C -1.697 174.593 176.300 -0.017 0.000 1.089 369 R CA -1.646 54.454 56.100 0.000 0.000 1.177 369 R CB -0.033 30.291 30.300 0.040 0.000 1.091 369 R HN 0.337 nan 8.270 nan 0.000 0.540 370 P HA -0.163 nan 4.420 nan 0.000 0.221 370 P C 0.221 177.520 177.300 -0.002 0.000 1.145 370 P CA 1.220 64.317 63.100 -0.004 0.000 0.795 370 P CB 0.060 31.764 31.700 0.007 0.000 0.775 371 D N -1.875 118.525 120.400 0.000 0.000 2.349 371 D HA 0.053 4.689 4.640 -0.006 0.000 0.224 371 D C 1.518 177.816 176.300 -0.004 0.000 1.029 371 D CA 0.780 54.779 54.000 -0.001 0.000 0.879 371 D CB -0.748 40.052 40.800 0.000 0.000 0.906 371 D HN 0.239 nan 8.370 nan 0.000 0.528 372 G N 0.167 108.963 108.800 -0.007 0.000 2.234 372 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.235 372 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.235 372 G C 0.479 175.373 174.900 -0.010 0.000 0.997 372 G CA 0.369 45.465 45.100 -0.007 0.000 0.623 372 G HN 0.843 nan 8.290 nan 0.000 0.514 373 S N 0.724 116.419 115.700 -0.009 0.000 2.600 373 S HA 0.655 5.122 4.470 -0.006 0.000 0.265 373 S C 0.660 175.254 174.600 -0.010 0.000 1.325 373 S CA -0.575 57.619 58.200 -0.010 0.000 1.002 373 S CB 1.104 64.296 63.200 -0.013 0.000 0.921 373 S HN 0.718 nan 8.310 nan 0.000 0.554 374 L N 1.096 122.314 121.223 -0.009 0.000 2.426 374 L HA 0.215 4.552 4.340 -0.006 0.000 0.271 374 L C 0.138 177.018 176.870 0.017 0.000 1.169 374 L CA -0.552 54.287 54.840 -0.001 0.000 0.836 374 L CB 0.285 42.355 42.059 0.019 0.000 1.112 374 L HN 0.840 nan 8.230 nan 0.000 0.465 375 W N 4.460 125.669 121.300 -0.151 0.000 2.304 375 W HA 0.249 4.906 4.660 -0.006 0.000 0.313 375 W C -0.386 176.043 176.519 -0.150 0.000 1.323 375 W CA -0.033 57.206 57.345 -0.178 0.000 1.223 375 W CB 0.450 29.742 29.460 -0.279 0.000 1.237 375 W HN 0.437 nan 8.180 nan 0.000 0.535 376 Q N 5.692 125.003 119.800 -0.815 0.000 2.416 376 Q HA 0.405 4.741 4.340 -0.006 0.000 0.281 376 Q C -1.004 174.442 176.000 -0.923 0.000 1.067 376 Q CA -0.890 54.508 55.803 -0.675 0.000 0.809 376 Q CB 2.569 31.158 28.738 -0.249 0.000 1.418 376 Q HN 0.570 nan 8.270 nan 0.000 0.411 377 W N 0.354 121.220 121.300 -0.724 0.000 2.940 377 W HA 0.491 5.148 4.660 -0.006 0.000 0.394 377 W C -1.078 175.314 176.519 -0.212 0.000 1.155 377 W CA -0.935 56.139 57.345 -0.451 0.000 1.165 377 W CB -0.067 29.137 29.460 -0.426 0.000 1.492 377 W HN 0.484 nan 8.180 nan 0.000 0.593 378 D N 0.389 120.777 120.400 -0.020 0.000 2.395 378 D HA 0.127 4.763 4.640 -0.006 0.000 0.213 378 D C -0.321 175.862 176.300 -0.195 0.000 1.110 378 D CA 0.100 54.038 54.000 -0.102 0.000 0.835 378 D CB 0.513 41.242 40.800 -0.118 0.000 0.965 378 D HN 0.148 nan 8.370 nan 0.000 0.505 379 K N 0.229 120.310 120.400 -0.532 0.000 2.270 379 K HA 0.050 4.367 4.320 -0.006 0.000 0.276 379 K C 0.655 177.344 176.600 0.149 0.000 1.023 379 K CA -0.294 55.771 56.287 -0.371 0.000 0.955 379 K CB 1.567 33.514 32.500 -0.922 0.000 0.975 379 K HN 0.087 nan 8.250 nan 0.000 0.471 380 W N 0.372 121.717 121.300 0.076 0.000 0.649 380 W HA -0.379 4.278 4.660 -0.006 0.000 0.221 380 W C -0.769 175.850 176.519 0.167 0.000 1.002 380 W CA 1.376 58.849 57.345 0.214 0.000 0.879 380 W CB -0.538 29.076 29.460 0.257 0.000 1.806 380 W HN 0.526 nan 8.180 nan 0.000 0.496 381 Q N 0.937 120.800 119.800 0.106 0.000 2.387 381 Q HA 0.443 4.780 4.340 -0.006 0.000 0.273 381 Q C -2.291 173.702 176.000 -0.012 0.000 1.089 381 Q CA -1.826 53.939 55.803 -0.064 0.000 0.824 381 Q CB 1.210 29.931 28.738 -0.029 0.000 1.367 381 Q HN -0.089 nan 8.270 nan 0.000 0.443 382 P HA 0.038 nan 4.420 nan 0.000 0.267 382 P C 0.405 177.612 177.300 -0.154 0.000 1.205 382 P CA 0.724 63.715 63.100 -0.182 0.000 0.765 382 P CB 0.270 31.758 31.700 -0.354 0.000 0.828 383 G N 2.883 111.604 108.800 -0.131 0.000 2.283 383 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.280 383 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.280 383 G C 0.036 174.911 174.900 -0.042 0.000 1.029 383 G CA -0.163 44.847 45.100 -0.150 0.000 0.840 383 G HN 0.612 nan 8.290 nan 0.000 0.505 384 L N 0.065 121.344 121.223 0.092 0.000 2.540 384 L HA 0.514 4.851 4.340 -0.006 0.000 0.276 384 L C 0.690 177.688 176.870 0.213 0.000 1.212 384 L CA 0.540 55.513 54.840 0.222 0.000 0.893 384 L CB 0.481 42.752 42.059 0.353 0.000 1.138 384 L HN 0.601 nan 8.230 nan 0.000 0.491 385 A N 6.255 129.233 122.820 0.263 0.000 2.387 385 A HA 0.805 5.121 4.320 -0.006 0.000 0.303 385 A C -0.883 176.727 177.584 0.044 0.000 1.145 385 A CA -0.739 51.397 52.037 0.165 0.000 0.801 385 A CB 1.189 20.250 19.000 0.102 0.000 1.342 385 A HN 0.688 nan 8.150 nan 0.000 0.440 386 I N 0.570 121.102 120.570 -0.063 0.000 2.465 386 I HA 0.248 4.415 4.170 -0.006 0.000 0.291 386 I C -1.192 174.804 176.117 -0.202 0.000 1.014 386 I CA -0.484 60.766 61.300 -0.085 0.000 1.093 386 I CB 1.574 39.427 38.000 -0.245 0.000 1.267 386 I HN 0.650 nan 8.210 nan 0.000 0.431 387 Y N 3.808 124.025 120.300 -0.137 0.000 2.729 387 Y HA -0.078 4.469 4.550 -0.006 0.000 0.331 387 Y C 0.824 176.443 175.900 -0.469 0.000 1.208 387 Y CA 0.139 58.021 58.100 -0.362 0.000 1.521 387 Y CB 0.046 38.128 38.460 -0.630 0.000 1.233 387 Y HN 0.441 nan 8.280 nan 0.000 0.539 388 D N 4.679 125.047 120.400 -0.054 0.000 2.453 388 D HA 0.039 4.675 4.640 -0.006 0.000 0.223 388 D C 0.086 176.505 176.300 0.199 0.000 1.183 388 D CA 0.023 54.123 54.000 0.167 0.000 0.933 388 D CB -0.276 40.622 40.800 0.162 0.000 1.038 388 D HN 0.534 nan 8.370 nan 0.000 0.513 389 F N 0.940 121.095 119.950 0.342 0.000 2.771 389 F HA -0.065 4.458 4.527 -0.006 0.000 0.299 389 F C 2.386 178.238 175.800 0.086 0.000 1.177 389 F CA 0.280 58.332 58.000 0.086 0.000 1.450 389 F CB 0.154 39.086 39.000 -0.113 0.000 1.114 389 F HN 0.310 nan 8.300 nan 0.000 0.587 390 T N -3.399 111.370 114.554 0.359 0.000 3.107 390 T HA -0.013 4.333 4.350 -0.006 0.000 0.249 390 T C 0.564 175.393 174.700 0.214 0.000 1.096 390 T CA -0.199 62.073 62.100 0.288 0.000 1.012 390 T CB -0.342 68.736 68.868 0.350 0.000 0.977 390 T HN 0.006 nan 8.240 nan 0.000 0.527 391 N N 2.137 120.854 118.700 0.028 0.000 2.485 391 N HA 0.322 5.059 4.740 -0.006 0.000 0.243 391 N C -2.229 173.085 175.510 -0.326 0.000 0.987 391 N CA -2.419 50.331 53.050 -0.500 0.000 0.940 391 N CB 2.067 40.273 38.487 -0.469 0.000 1.122 391 N HN -0.046 nan 8.380 nan 0.000 0.509 392 P HA -0.080 nan 4.420 nan 0.000 0.216 392 P C 0.387 177.579 177.300 -0.181 0.000 1.150 392 P CA 1.138 64.150 63.100 -0.146 0.000 0.837 392 P CB 0.461 32.116 31.700 -0.074 0.000 0.786 393 D N -0.768 119.470 120.400 -0.270 0.000 2.178 393 D HA -0.087 4.550 4.640 -0.006 0.000 0.202 393 D C 2.015 177.899 176.300 -0.692 0.000 0.974 393 D CA 1.367 55.180 54.000 -0.311 0.000 0.841 393 D CB -0.834 39.888 40.800 -0.130 0.000 0.953 393 D HN 0.067 nan 8.370 nan 0.000 0.478 394 A N 0.488 122.817 122.820 -0.817 0.000 1.883 394 A HA -0.212 4.104 4.320 -0.006 0.000 0.217 394 A C 2.517 180.078 177.584 -0.039 0.000 1.186 394 A CA 1.420 53.088 52.037 -0.616 0.000 0.624 394 A CB -1.044 17.837 19.000 -0.199 0.000 0.822 394 A HN 0.356 nan 8.150 nan 0.000 0.444 395 C N -0.739 118.573 119.300 0.021 0.000 2.413 395 C HA -0.101 4.355 4.460 -0.006 0.000 0.276 395 C C 2.735 177.755 174.990 0.050 0.000 1.248 395 C CA 1.487 60.553 59.018 0.080 0.000 1.742 395 C CB -1.066 26.668 27.740 -0.011 0.000 2.017 395 C HN 0.782 nan 8.230 nan 0.000 0.481 396 K N -0.535 119.865 120.400 0.001 0.000 2.002 396 K HA -0.234 4.082 4.320 -0.006 0.000 0.209 396 K C 2.010 178.651 176.600 0.069 0.000 1.048 396 K CA 1.881 58.175 56.287 0.011 0.000 0.930 396 K CB -0.488 32.015 32.500 0.004 0.000 0.714 396 K HN 0.632 nan 8.250 nan 0.000 0.438 397 W N 0.397 121.658 121.300 -0.066 0.000 2.321 397 W HA -0.300 4.356 4.660 -0.006 0.000 0.306 397 W C 1.949 178.478 176.519 0.017 0.000 1.217 397 W CA 2.018 59.382 57.345 0.031 0.000 1.257 397 W CB -0.350 29.198 29.460 0.145 0.000 1.145 397 W HN 0.257 nan 8.180 nan 0.000 0.509 398 Y N 0.475 120.931 120.300 0.261 0.000 2.220 398 Y HA -0.121 4.425 4.550 -0.006 0.000 0.291 398 Y C 2.377 178.091 175.900 -0.310 0.000 1.129 398 Y CA 2.484 60.599 58.100 0.024 0.000 1.161 398 Y CB -0.873 37.665 38.460 0.130 0.000 0.997 398 Y HN -0.026 nan 8.280 nan 0.000 0.522 399 A N 0.058 122.848 122.820 -0.050 0.000 1.933 399 A HA -0.198 4.118 4.320 -0.006 0.000 0.218 399 A C 1.823 179.239 177.584 -0.280 0.000 1.175 399 A CA 2.047 53.977 52.037 -0.177 0.000 0.628 399 A CB -0.768 18.166 19.000 -0.109 0.000 0.814 399 A HN 0.514 nan 8.150 nan 0.000 0.444 400 D N -0.095 120.135 120.400 -0.284 0.000 2.144 400 D HA -0.103 4.534 4.640 -0.006 0.000 0.199 400 D C 1.887 177.922 176.300 -0.442 0.000 0.984 400 D CA 1.005 54.820 54.000 -0.307 0.000 0.834 400 D CB -0.149 40.486 40.800 -0.275 0.000 0.955 400 D HN 0.215 nan 8.370 nan 0.000 0.465 401 K N 0.559 120.534 120.400 -0.708 0.000 2.057 401 K HA -0.052 4.264 4.320 -0.006 0.000 0.207 401 K C 2.350 178.492 176.600 -0.763 0.000 1.049 401 K CA 0.387 56.145 56.287 -0.881 0.000 0.931 401 K CB -0.669 30.920 32.500 -1.519 0.000 0.714 401 K HN 0.274 nan 8.250 nan 0.000 0.440 402 L N 0.862 121.599 121.223 -0.811 0.000 2.046 402 L HA -0.201 4.136 4.340 -0.006 0.000 0.208 402 L C 2.441 179.208 176.870 -0.172 0.000 1.077 402 L CA 1.446 55.950 54.840 -0.561 0.000 0.747 402 L CB -0.406 41.271 42.059 -0.637 0.000 0.896 402 L HN 0.199 nan 8.230 nan 0.000 0.432 403 K N 0.027 120.313 120.400 -0.191 0.000 2.057 403 K HA -0.114 4.202 4.320 -0.006 0.000 0.207 403 K C 2.153 178.704 176.600 -0.082 0.000 1.049 403 K CA 1.222 57.449 56.287 -0.101 0.000 0.931 403 K CB -0.510 31.919 32.500 -0.118 0.000 0.714 403 K HN 0.388 nan 8.250 nan 0.000 0.440 404 G N 1.524 110.248 108.800 -0.126 0.000 2.469 404 G HA2 -0.259 3.698 3.960 -0.006 0.000 0.220 404 G HA3 -0.259 3.698 3.960 -0.006 0.000 0.220 404 G C 1.460 176.352 174.900 -0.013 0.000 1.136 404 G CA 0.852 45.905 45.100 -0.077 0.000 0.759 404 G HN 0.112 nan 8.290 nan 0.000 0.562 405 L N -0.078 121.157 121.223 0.020 0.000 2.044 405 L HA -0.033 4.304 4.340 -0.006 0.000 0.205 405 L C 3.019 179.910 176.870 0.036 0.000 1.075 405 L CA 0.317 55.217 54.840 0.099 0.000 0.747 405 L CB -0.499 41.702 42.059 0.237 0.000 0.903 405 L HN 0.083 nan 8.230 nan 0.000 0.435 406 V N 0.394 120.339 119.914 0.052 0.000 2.282 406 V HA -0.354 3.763 4.120 -0.006 0.000 0.249 406 V C 2.761 178.819 176.094 -0.060 0.000 1.057 406 V CA 1.973 64.253 62.300 -0.033 0.000 1.032 406 V CB -1.018 30.803 31.823 -0.003 0.000 0.645 406 V HN 0.511 nan 8.190 nan 0.000 0.447 407 A N 0.195 122.987 122.820 -0.046 0.000 2.019 407 A HA -0.220 4.096 4.320 -0.006 0.000 0.219 407 A C 2.198 179.742 177.584 -0.067 0.000 1.164 407 A CA 2.140 54.143 52.037 -0.056 0.000 0.644 407 A CB -0.537 18.434 19.000 -0.049 0.000 0.805 407 A HN 0.695 nan 8.150 nan 0.000 0.449 408 M N -2.297 117.263 119.600 -0.066 0.000 2.561 408 M HA 0.353 4.829 4.480 -0.006 0.000 0.238 408 M C 1.013 177.238 176.300 -0.126 0.000 1.131 408 M CA 1.299 56.542 55.300 -0.094 0.000 1.046 408 M CB 0.276 32.823 32.600 -0.088 0.000 1.532 408 M HN 0.617 nan 8.290 nan 0.000 0.497 409 G N 0.895 109.622 108.800 -0.123 0.000 2.192 409 G HA2 -0.150 3.807 3.960 -0.006 0.000 0.193 409 G HA3 -0.150 3.807 3.960 -0.006 0.000 0.193 409 G C -0.167 174.625 174.900 -0.179 0.000 0.999 409 G CA -0.078 44.933 45.100 -0.148 0.000 0.659 409 G HN 0.345 nan 8.290 nan 0.000 0.503 410 V N 1.781 121.583 119.914 -0.185 0.000 2.655 410 V HA 0.215 4.331 4.120 -0.006 0.000 0.300 410 V C 1.104 177.006 176.094 -0.319 0.000 1.044 410 V CA 0.940 63.081 62.300 -0.265 0.000 1.095 410 V CB 1.312 32.943 31.823 -0.320 0.000 0.952 410 V HN 0.333 nan 8.190 nan 0.000 0.485 411 D N 2.001 122.200 120.400 -0.335 0.000 2.338 411 D HA 0.135 4.771 4.640 -0.006 0.000 0.208 411 D C 0.435 176.598 176.300 -0.227 0.000 0.997 411 D CA 0.825 54.657 54.000 -0.280 0.000 0.880 411 D CB 0.788 41.373 40.800 -0.359 0.000 0.980 411 D HN 0.759 nan 8.370 nan 0.000 0.509 412 C N -1.340 117.753 119.300 -0.345 0.000 3.321 412 C HA 0.748 5.205 4.460 -0.006 0.000 0.329 412 C C -1.472 173.241 174.990 -0.463 0.000 1.394 412 C CA -1.356 57.521 59.018 -0.234 0.000 1.291 412 C CB 0.715 28.572 27.740 0.195 0.000 1.606 412 C HN -0.029 nan 8.230 nan 0.000 0.463 413 F N 0.798 120.839 119.950 0.150 0.000 2.540 413 F HA 0.580 5.103 4.527 -0.006 0.000 0.317 413 F C 0.227 176.123 175.800 0.159 0.000 1.104 413 F CA -0.614 57.472 58.000 0.144 0.000 0.913 413 F CB 1.710 40.762 39.000 0.086 0.000 1.170 413 F HN 0.748 nan 8.300 nan 0.000 0.450 414 K N 2.192 122.806 120.400 0.355 0.000 2.292 414 K HA 0.209 4.526 4.320 -0.006 0.000 0.290 414 K C -0.347 176.335 176.600 0.136 0.000 1.083 414 K CA -0.254 56.148 56.287 0.191 0.000 0.918 414 K CB 0.414 32.952 32.500 0.064 0.000 1.089 414 K HN 0.723 nan 8.250 nan 0.000 0.473 415 T N 1.360 115.984 114.554 0.117 0.000 3.162 415 T HA 0.103 4.450 4.350 -0.006 0.000 0.316 415 T C -0.126 174.670 174.700 0.160 0.000 1.182 415 T CA -0.971 61.146 62.100 0.028 0.000 1.015 415 T CB 0.367 69.041 68.868 -0.323 0.000 1.089 415 T HN 0.439 nan 8.240 nan 0.000 0.646 416 D N 1.474 121.958 120.400 0.139 0.000 2.354 416 D HA 0.503 5.140 4.640 -0.006 0.000 0.247 416 D C 0.574 177.055 176.300 0.303 0.000 1.138 416 D CA -0.670 53.467 54.000 0.229 0.000 0.958 416 D CB 0.194 41.172 40.800 0.295 0.000 1.144 416 D HN 0.446 nan 8.370 nan 0.000 0.458 417 F N -0.062 119.895 119.950 0.011 0.000 2.183 417 F HA -0.165 4.358 4.527 -0.006 0.000 0.318 417 F C 1.767 177.629 175.800 0.103 0.000 0.129 417 F CA 1.301 59.297 58.000 -0.007 0.000 0.912 417 F CB -1.377 37.501 39.000 -0.204 0.000 4.135 417 F HN 0.598 nan 8.300 nan 0.000 0.137 418 G N -0.895 108.102 108.800 0.328 0.000 2.176 418 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.232 418 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.232 418 G C 0.656 175.750 174.900 0.324 0.000 0.986 418 G CA 0.724 46.052 45.100 0.379 0.000 0.643 418 G HN 1.056 nan 8.290 nan 0.000 0.522 419 E N 0.639 121.020 120.200 0.301 0.000 2.127 419 E HA 0.076 4.423 4.350 -0.006 0.000 0.191 419 E C 1.412 178.039 176.600 0.046 0.000 0.964 419 E CA 0.062 56.539 56.400 0.129 0.000 0.832 419 E CB -0.244 29.559 29.700 0.173 0.000 0.790 419 E HN 0.462 nan 8.360 nan 0.000 0.465 420 R N 1.629 122.277 120.500 0.247 0.000 4.164 420 R HA 0.237 4.574 4.340 -0.006 0.000 0.195 420 R C -0.358 175.912 176.300 -0.050 0.000 1.712 420 R CA -0.186 56.056 56.100 0.237 0.000 1.457 420 R CB -0.070 30.525 30.300 0.491 0.000 1.387 420 R HN 0.102 nan 8.270 nan 0.000 0.785 421 I N 4.160 124.640 120.570 -0.151 0.000 2.312 421 I HA 0.209 4.375 4.170 -0.006 0.000 0.291 421 I C -1.659 174.366 176.117 -0.153 0.000 1.031 421 I CA -3.362 57.754 61.300 -0.307 0.000 1.293 421 I CB 0.681 38.484 38.000 -0.329 0.000 1.403 421 I HN 0.103 nan 8.210 nan 0.000 0.484 422 P HA 0.176 nan 4.420 nan 0.000 0.274 422 P C 0.452 177.641 177.300 -0.185 0.000 1.237 422 P CA -0.075 62.755 63.100 -0.451 0.000 0.793 422 P CB 0.886 31.903 31.700 -1.139 0.000 0.977 423 T N -3.907 110.645 114.554 -0.004 0.000 3.023 423 T HA 0.023 4.369 4.350 -0.006 0.000 0.253 423 T C 0.468 175.191 174.700 0.039 0.000 1.038 423 T CA -0.100 62.056 62.100 0.095 0.000 0.962 423 T CB -0.526 68.462 68.868 0.200 0.000 1.018 423 T HN 0.383 nan 8.240 nan 0.000 0.521 424 D N 3.011 123.414 120.400 0.004 0.000 2.845 424 D HA 0.325 4.962 4.640 -0.006 0.000 0.235 424 D C 0.346 176.641 176.300 -0.010 0.000 1.158 424 D CA -0.509 53.513 54.000 0.038 0.000 0.990 424 D CB -0.030 40.829 40.800 0.099 0.000 1.094 424 D HN 0.482 nan 8.370 nan 0.000 0.486 425 V N -3.124 116.741 119.914 -0.082 0.000 3.181 425 V HA 0.591 4.708 4.120 -0.006 0.000 0.308 425 V C -1.191 174.804 176.094 -0.165 0.000 1.214 425 V CA -1.200 60.977 62.300 -0.204 0.000 1.053 425 V CB 2.044 33.554 31.823 -0.520 0.000 1.069 425 V HN 0.177 nan 8.190 nan 0.000 0.441 426 Q N 0.715 120.387 119.800 -0.214 0.000 2.320 426 Q HA 0.438 4.775 4.340 -0.006 0.000 0.268 426 Q C -1.805 174.101 176.000 -0.156 0.000 1.023 426 Q CA -0.478 55.267 55.803 -0.096 0.000 0.744 426 Q CB 1.548 30.268 28.738 -0.030 0.000 1.246 426 Q HN 0.805 nan 8.270 nan 0.000 0.462 427 W N 3.142 124.467 121.300 0.043 0.000 2.170 427 W HA 0.110 4.767 4.660 -0.006 0.000 0.336 427 W C 1.170 177.766 176.519 0.128 0.000 1.283 427 W CA -0.427 56.974 57.345 0.092 0.000 1.224 427 W CB 0.322 29.844 29.460 0.103 0.000 1.132 427 W HN 0.738 nan 8.180 nan 0.000 0.571 428 F N 2.625 122.743 119.950 0.280 0.000 2.087 428 F HA -0.382 4.141 4.527 -0.006 0.000 0.299 428 F C 2.151 178.061 175.800 0.183 0.000 1.100 428 F CA 2.465 60.580 58.000 0.191 0.000 1.226 428 F CB -0.087 39.025 39.000 0.187 0.000 0.983 428 F HN 0.404 nan 8.300 nan 0.000 0.479 429 D N -0.777 119.861 120.400 0.396 0.000 2.328 429 D HA 0.116 4.752 4.640 -0.006 0.000 0.226 429 D C 1.645 178.025 176.300 0.134 0.000 1.066 429 D CA 0.729 54.865 54.000 0.227 0.000 0.861 429 D CB -0.613 40.351 40.800 0.273 0.000 0.912 429 D HN 0.472 nan 8.370 nan 0.000 0.521 430 G N -0.016 108.880 108.800 0.160 0.000 2.153 430 G HA2 -0.313 3.643 3.960 -0.006 0.000 0.252 430 G HA3 -0.313 3.643 3.960 -0.006 0.000 0.252 430 G C 0.385 175.367 174.900 0.137 0.000 0.994 430 G CA 0.390 45.568 45.100 0.129 0.000 0.698 430 G HN 0.450 nan 8.290 nan 0.000 0.521 431 S N 0.171 115.958 115.700 0.144 0.000 2.560 431 S HA 0.268 4.735 4.470 -0.006 0.000 0.276 431 S C 0.485 175.136 174.600 0.086 0.000 1.350 431 S CA 0.159 58.378 58.200 0.031 0.000 1.024 431 S CB 0.927 64.038 63.200 -0.148 0.000 0.864 431 S HN 0.463 nan 8.310 nan 0.000 0.536 432 D N 1.782 122.197 120.400 0.024 0.000 2.363 432 D HA 0.125 4.762 4.640 -0.006 0.000 0.263 432 D C -1.635 174.735 176.300 0.116 0.000 1.258 432 D CA -1.936 52.108 54.000 0.073 0.000 0.907 432 D CB 0.865 41.688 40.800 0.037 0.000 1.107 432 D HN 0.064 nan 8.370 nan 0.000 0.495 433 P HA -0.145 nan 4.420 nan 0.000 0.219 433 P C 1.154 178.629 177.300 0.291 0.000 1.146 433 P CA 0.917 64.231 63.100 0.357 0.000 0.808 433 P CB 0.315 32.206 31.700 0.317 0.000 0.779 434 Q N -0.336 119.608 119.800 0.239 0.000 2.172 434 Q HA -0.064 4.272 4.340 -0.006 0.000 0.200 434 Q C 1.833 178.014 176.000 0.302 0.000 0.964 434 Q CA 1.334 57.324 55.803 0.311 0.000 0.855 434 Q CB -0.312 28.556 28.738 0.216 0.000 0.918 434 Q HN 0.411 nan 8.270 nan 0.000 0.444 435 K N -0.457 120.035 120.400 0.153 0.000 2.211 435 K HA 0.121 4.437 4.320 -0.006 0.000 0.201 435 K C 1.973 178.597 176.600 0.040 0.000 1.052 435 K CA 0.270 56.597 56.287 0.066 0.000 0.973 435 K CB 0.099 32.556 32.500 -0.070 0.000 0.766 435 K HN 0.079 nan 8.250 nan 0.000 0.466 436 M N 0.522 120.111 119.600 -0.018 0.000 2.358 436 M HA -0.144 4.332 4.480 -0.006 0.000 0.264 436 M C 1.988 178.304 176.300 0.027 0.000 1.064 436 M CA 1.562 56.788 55.300 -0.123 0.000 1.093 436 M CB -0.902 31.346 32.600 -0.587 0.000 1.401 436 M HN 0.258 nan 8.290 nan 0.000 0.440 437 H N 1.181 120.248 119.070 -0.005 0.000 2.265 437 H HA -0.141 4.412 4.556 -0.006 0.000 0.295 437 H C 1.807 177.051 175.328 -0.141 0.000 1.084 437 H CA 2.454 58.406 56.048 -0.160 0.000 1.261 437 H CB 0.111 29.535 29.762 -0.564 0.000 1.360 437 H HN 0.301 nan 8.280 nan 0.000 0.487 438 N N -0.807 117.859 118.700 -0.057 0.000 2.207 438 N HA -0.130 4.606 4.740 -0.006 0.000 0.182 438 N C 1.882 177.490 175.510 0.162 0.000 1.020 438 N CA 1.295 54.359 53.050 0.023 0.000 0.858 438 N CB -0.588 38.026 38.487 0.213 0.000 0.991 438 N HN 0.518 nan 8.380 nan 0.000 0.427 439 H N -0.306 118.824 119.070 0.101 0.000 2.457 439 H HA -0.066 4.486 4.556 -0.006 0.000 0.294 439 H C 1.763 177.194 175.328 0.172 0.000 1.064 439 H CA 1.066 57.199 56.048 0.142 0.000 1.330 439 H CB -0.251 29.535 29.762 0.041 0.000 1.395 439 H HN 0.212 nan 8.280 nan 0.000 0.541 440 Y N 0.515 120.810 120.300 -0.007 0.000 2.132 440 Y HA -0.371 4.175 4.550 -0.006 0.000 0.280 440 Y C 2.594 178.555 175.900 0.103 0.000 1.193 440 Y CA 2.085 60.189 58.100 0.007 0.000 1.157 440 Y CB -0.837 37.631 38.460 0.014 0.000 0.966 440 Y HN 0.346 nan 8.280 nan 0.000 0.511 441 A N -0.758 122.199 122.820 0.228 0.000 1.917 441 A HA -0.304 4.013 4.320 -0.006 0.000 0.219 441 A C 2.146 179.786 177.584 0.094 0.000 1.182 441 A CA 1.945 54.112 52.037 0.217 0.000 0.633 441 A CB -1.594 17.527 19.000 0.202 0.000 0.819 441 A HN 0.744 nan 8.150 nan 0.000 0.448 442 Y N 0.363 120.609 120.300 -0.088 0.000 2.163 442 Y HA -0.186 4.361 4.550 -0.005 0.000 0.288 442 Y C 2.080 177.842 175.900 -0.230 0.000 1.136 442 Y CA 1.703 59.723 58.100 -0.133 0.000 1.147 442 Y CB -0.081 38.213 38.460 -0.277 0.000 0.987 442 Y HN 0.236 nan 8.280 nan 0.000 0.509 443 I N 0.053 120.487 120.570 -0.227 0.000 2.226 443 I HA -0.333 3.834 4.170 -0.006 0.000 0.245 443 I C 2.380 178.238 176.117 -0.432 0.000 1.100 443 I CA 1.736 62.870 61.300 -0.276 0.000 1.374 443 I CB -1.742 36.151 38.000 -0.177 0.000 1.057 443 I HN 0.445 nan 8.210 nan 0.000 0.413 444 Y N 2.031 121.986 120.300 -0.574 0.000 2.163 444 Y HA -0.210 4.337 4.550 -0.006 0.000 0.288 444 Y C 2.502 178.066 175.900 -0.560 0.000 1.136 444 Y CA 1.572 59.268 58.100 -0.673 0.000 1.147 444 Y CB -0.125 38.106 38.460 -0.381 0.000 0.987 444 Y HN 0.167 nan 8.280 nan 0.000 0.509 445 N N 0.694 119.003 118.700 -0.652 0.000 2.188 445 N HA -0.210 4.527 4.740 -0.006 0.000 0.184 445 N C 1.788 176.718 175.510 -0.966 0.000 1.018 445 N CA 1.467 54.078 53.050 -0.733 0.000 0.858 445 N CB -0.324 37.920 38.487 -0.406 0.000 0.989 445 N HN 0.603 nan 8.380 nan 0.000 0.426 446 E N 1.551 121.031 120.200 -1.200 0.000 2.058 446 E HA -0.176 4.171 4.350 -0.006 0.000 0.194 446 E C 2.209 178.378 176.600 -0.718 0.000 0.997 446 E CA 0.714 56.292 56.400 -1.370 0.000 0.801 446 E CB -0.129 28.996 29.700 -0.960 0.000 0.746 446 E HN 0.244 nan 8.360 nan 0.000 0.450 447 L N 0.606 121.477 121.223 -0.588 0.000 2.013 447 L HA -0.216 4.121 4.340 -0.006 0.000 0.212 447 L C 2.407 179.066 176.870 -0.352 0.000 1.073 447 L CA 1.506 56.073 54.840 -0.455 0.000 0.753 447 L CB -0.218 41.462 42.059 -0.631 0.000 0.890 447 L HN 0.103 nan 8.230 nan 0.000 0.432 448 V N -0.915 118.775 119.914 -0.374 0.000 2.358 448 V HA -0.325 3.791 4.120 -0.006 0.000 0.246 448 V C 2.163 178.168 176.094 -0.149 0.000 1.047 448 V CA 2.156 64.311 62.300 -0.242 0.000 1.035 448 V CB -1.103 30.575 31.823 -0.241 0.000 0.658 448 V HN 0.713 nan 8.190 nan 0.000 0.452 449 W N 1.583 122.632 121.300 -0.417 0.000 2.318 449 W HA -0.266 4.391 4.660 -0.005 0.000 0.313 449 W C 2.284 178.683 176.519 -0.199 0.000 1.221 449 W CA 2.280 59.432 57.345 -0.321 0.000 1.266 449 W CB -0.380 28.723 29.460 -0.595 0.000 1.150 449 W HN 0.346 nan 8.180 nan 0.000 0.496 450 N N 0.245 118.894 118.700 -0.086 0.000 2.309 450 N HA -0.141 4.596 4.740 -0.006 0.000 0.182 450 N C 1.647 177.078 175.510 -0.131 0.000 1.018 450 N CA 1.459 54.458 53.050 -0.086 0.000 0.876 450 N CB -0.761 37.683 38.487 -0.072 0.000 0.972 450 N HN 0.053 nan 8.380 nan 0.000 0.434 451 V N 0.719 120.547 119.914 -0.143 0.000 2.379 451 V HA -0.128 3.989 4.120 -0.006 0.000 0.245 451 V C 2.139 178.169 176.094 -0.106 0.000 1.044 451 V CA 0.938 63.169 62.300 -0.115 0.000 1.036 451 V CB -0.283 31.469 31.823 -0.118 0.000 0.664 451 V HN 0.164 nan 8.190 nan 0.000 0.453 452 L N 0.108 121.242 121.223 -0.149 0.000 2.027 452 L HA -0.139 4.198 4.340 -0.006 0.000 0.206 452 L C 2.362 179.086 176.870 -0.243 0.000 1.074 452 L CA 1.832 56.559 54.840 -0.189 0.000 0.745 452 L CB -1.248 40.630 42.059 -0.301 0.000 0.898 452 L HN 0.322 nan 8.230 nan 0.000 0.433 453 K N -0.231 119.971 120.400 -0.330 0.000 2.020 453 K HA -0.224 4.092 4.320 -0.006 0.000 0.212 453 K C 1.455 177.982 176.600 -0.121 0.000 1.050 453 K CA 1.982 58.129 56.287 -0.234 0.000 0.929 453 K CB -0.036 32.357 32.500 -0.179 0.000 0.714 453 K HN 0.279 nan 8.250 nan 0.000 0.443 454 D N -0.722 119.618 120.400 -0.100 0.000 2.348 454 D HA -0.080 4.556 4.640 -0.006 0.000 0.216 454 D C 1.652 177.914 176.300 -0.063 0.000 0.970 454 D CA 1.474 55.434 54.000 -0.067 0.000 0.889 454 D CB 0.257 41.021 40.800 -0.060 0.000 0.912 454 D HN 0.528 nan 8.370 nan 0.000 0.524 455 T N -2.781 111.729 114.554 -0.073 0.000 3.056 455 T HA 0.031 4.378 4.350 -0.006 0.000 0.243 455 T C 1.786 176.450 174.700 -0.060 0.000 0.995 455 T CA 0.526 62.590 62.100 -0.060 0.000 1.091 455 T CB -0.274 68.563 68.868 -0.053 0.000 0.990 455 T HN 0.041 nan 8.240 nan 0.000 0.464 456 V N -1.282 118.589 119.914 -0.071 0.000 3.643 456 V HA 0.694 4.810 4.120 -0.006 0.000 0.280 456 V C 1.067 177.133 176.094 -0.047 0.000 1.351 456 V CA 0.008 62.275 62.300 -0.056 0.000 1.073 456 V CB -0.759 31.034 31.823 -0.050 0.000 0.863 456 V HN 1.026 nan 8.190 nan 0.000 0.436 457 G N 0.800 109.561 108.800 -0.066 0.000 2.788 457 G HA2 -0.166 3.791 3.960 -0.006 0.000 0.686 457 G HA3 -0.166 3.791 3.960 -0.006 0.000 0.686 457 G C 0.081 174.929 174.900 -0.088 0.000 1.147 457 G CA 0.193 45.261 45.100 -0.054 0.000 0.755 457 G HN 0.466 nan 8.290 nan 0.000 0.634 458 E N 0.440 120.599 120.200 -0.068 0.000 2.108 458 E HA -0.281 4.066 4.350 -0.006 0.000 0.203 458 E C 2.142 178.719 176.600 -0.039 0.000 1.022 458 E CA 2.586 58.950 56.400 -0.061 0.000 0.823 458 E CB 0.012 29.738 29.700 0.044 0.000 0.744 458 E HN 0.710 nan 8.360 nan 0.000 0.456 459 E N 0.226 120.434 120.200 0.013 0.000 2.418 459 E HA -0.115 4.231 4.350 -0.006 0.000 0.197 459 E C 1.305 177.926 176.600 0.036 0.000 1.026 459 E CA 0.759 57.190 56.400 0.051 0.000 0.862 459 E CB 0.078 29.821 29.700 0.071 0.000 0.799 459 E HN 0.273 nan 8.360 nan 0.000 0.518 460 E N 0.244 120.448 120.200 0.006 0.000 2.476 460 E HA 0.225 4.571 4.350 -0.006 0.000 0.199 460 E C 0.136 176.723 176.600 -0.022 0.000 1.021 460 E CA 0.182 56.623 56.400 0.067 0.000 0.907 460 E CB 0.420 30.190 29.700 0.116 0.000 0.974 460 E HN 0.221 nan 8.360 nan 0.000 0.489 461 A N 1.496 124.176 122.820 -0.233 0.000 2.454 461 A HA 0.380 4.696 4.320 -0.006 0.000 0.260 461 A C -0.007 177.357 177.584 -0.367 0.000 1.106 461 A CA -0.040 51.683 52.037 -0.523 0.000 0.780 461 A CB 0.596 18.815 19.000 -1.301 0.000 1.044 461 A HN 0.020 nan 8.150 nan 0.000 0.498 462 V N 3.907 123.731 119.914 -0.149 0.000 3.120 462 V HA 0.690 4.806 4.120 -0.006 0.000 0.303 462 V C -1.142 175.066 176.094 0.191 0.000 1.238 462 V CA -0.622 61.725 62.300 0.077 0.000 1.008 462 V CB 2.084 33.894 31.823 -0.022 0.000 1.064 462 V HN 0.887 nan 8.190 nan 0.000 0.434 463 L N 3.382 124.732 121.223 0.213 0.000 2.283 463 L HA 0.656 4.992 4.340 -0.006 0.000 0.259 463 L C -1.610 175.313 176.870 0.089 0.000 1.027 463 L CA -0.629 54.319 54.840 0.180 0.000 0.828 463 L CB 2.439 44.574 42.059 0.127 0.000 1.380 463 L HN 0.615 nan 8.230 nan 0.000 0.425 464 F N 1.251 121.143 119.950 -0.097 0.000 2.532 464 F HA 0.640 5.164 4.527 -0.006 0.000 0.365 464 F C 0.016 175.846 175.800 0.051 0.000 1.112 464 F CA -0.486 57.392 58.000 -0.203 0.000 1.082 464 F CB 1.395 40.105 39.000 -0.484 0.000 1.319 464 F HN 0.363 nan 8.300 nan 0.000 0.457 465 A N 4.715 127.539 122.820 0.006 0.000 2.330 465 A HA 0.584 4.900 4.320 -0.006 0.000 0.327 465 A C 0.819 178.352 177.584 -0.085 0.000 1.155 465 A CA -0.621 51.406 52.037 -0.017 0.000 0.803 465 A CB 1.240 20.044 19.000 -0.327 0.000 1.208 465 A HN 0.864 nan 8.150 nan 0.000 0.477 466 R N 0.863 121.216 120.500 -0.245 0.000 2.156 466 R HA 0.076 4.412 4.340 -0.006 0.000 0.207 466 R C 0.479 176.545 176.300 -0.389 0.000 1.040 466 R CA 1.335 56.953 56.100 -0.803 0.000 1.013 466 R CB 0.112 29.778 30.300 -1.057 0.000 0.931 466 R HN 0.824 nan 8.270 nan 0.000 0.465 467 S N -0.988 114.660 115.700 -0.087 0.000 2.648 467 S HA 0.869 5.336 4.470 -0.006 0.000 0.305 467 S C -0.748 173.922 174.600 0.117 0.000 1.094 467 S CA -0.649 57.578 58.200 0.045 0.000 0.983 467 S CB 2.402 65.677 63.200 0.125 0.000 1.101 467 S HN 0.224 nan 8.310 nan 0.000 0.514 468 A N 0.228 123.107 122.820 0.098 0.000 2.610 468 A HA 0.912 5.228 4.320 -0.006 0.000 0.291 468 A C -0.576 177.107 177.584 0.164 0.000 1.086 468 A CA -0.550 51.573 52.037 0.143 0.000 0.677 468 A CB 1.204 20.163 19.000 -0.067 0.000 1.278 468 A HN 1.375 nan 8.150 nan 0.000 0.414 469 S N -1.044 114.809 115.700 0.255 0.000 2.643 469 S HA 0.572 5.039 4.470 -0.006 0.000 0.270 469 S C -1.027 173.690 174.600 0.195 0.000 1.166 469 S CA -0.229 58.122 58.200 0.251 0.000 0.815 469 S CB 1.240 64.622 63.200 0.303 0.000 1.139 469 S HN 1.542 nan 8.310 nan 0.000 0.472 470 V N 2.853 122.753 119.914 -0.022 0.000 2.539 470 V HA 0.382 4.498 4.120 -0.006 0.000 0.300 470 V C 1.769 177.712 176.094 -0.252 0.000 1.019 470 V CA 2.031 64.143 62.300 -0.313 0.000 1.160 470 V CB -0.144 31.057 31.823 -1.037 0.000 0.901 470 V HN 1.572 nan 8.190 nan 0.000 0.481 471 G N 4.276 112.911 108.800 -0.274 0.000 2.232 471 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.226 471 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.226 471 G C 0.958 175.781 174.900 -0.127 0.000 0.996 471 G CA 0.256 45.217 45.100 -0.232 0.000 0.626 471 G HN 1.366 nan 8.290 nan 0.000 0.509 472 A N 1.008 123.866 122.820 0.064 0.000 2.172 472 A HA 0.107 4.424 4.320 -0.006 0.000 0.216 472 A C 2.251 179.732 177.584 -0.171 0.000 1.154 472 A CA 2.160 54.247 52.037 0.083 0.000 0.701 472 A CB -0.360 18.879 19.000 0.400 0.000 0.789 472 A HN 0.968 nan 8.150 nan 0.000 0.465 473 Q N 0.809 120.193 119.800 -0.693 0.000 2.291 473 Q HA -0.185 4.151 4.340 -0.006 0.000 0.206 473 Q C 1.144 176.797 176.000 -0.578 0.000 0.976 473 Q CA 1.733 57.022 55.803 -0.856 0.000 0.875 473 Q CB -0.551 27.349 28.738 -1.396 0.000 0.927 473 Q HN 0.673 nan 8.270 nan 0.000 0.450 474 K N 0.121 120.003 120.400 -0.863 0.000 2.442 474 K HA -0.028 4.289 4.320 -0.006 0.000 0.198 474 K C -0.216 175.543 176.600 -1.402 0.000 1.044 474 K CA 0.601 56.232 56.287 -1.094 0.000 0.948 474 K CB 0.024 31.725 32.500 -1.332 0.000 0.762 474 K HN 0.183 nan 8.250 nan 0.000 0.472 475 F N 1.417 120.929 119.950 -0.730 0.000 2.530 475 F HA 0.282 4.805 4.527 -0.006 0.000 0.318 475 F C -2.246 173.292 175.800 -0.437 0.000 1.356 475 F CA -3.625 53.739 58.000 -1.059 0.000 1.135 475 F CB -0.042 38.550 39.000 -0.681 0.000 1.315 475 F HN -0.158 nan 8.300 nan 0.000 0.549 476 P HA 0.131 nan 4.420 nan 0.000 0.272 476 P C -0.029 177.176 177.300 -0.157 0.000 1.254 476 P CA 0.133 63.220 63.100 -0.022 0.000 0.795 476 P CB 1.480 33.197 31.700 0.028 0.000 1.022 477 V N -1.326 118.451 119.914 -0.228 0.000 3.418 477 V HA -0.197 3.920 4.120 -0.006 0.000 0.479 477 V C -0.459 175.288 176.094 -0.578 0.000 0.682 477 V CA 0.704 62.711 62.300 -0.489 0.000 2.011 477 V CB -2.475 28.831 31.823 -0.862 0.000 2.457 477 V HN 0.761 nan 8.190 nan 0.000 0.501 478 H N 3.113 122.025 119.070 -0.264 0.000 2.569 478 H HA 0.773 5.326 4.556 -0.006 0.000 0.357 478 H C -0.092 175.039 175.328 -0.328 0.000 1.153 478 H CA 0.095 56.022 56.048 -0.202 0.000 1.193 478 H CB 1.565 31.282 29.762 -0.075 0.000 1.602 478 H HN 0.851 nan 8.280 nan 0.000 0.523 479 W N 1.294 122.320 121.300 -0.456 0.000 2.864 479 W HA 0.553 5.209 4.660 -0.005 0.000 0.343 479 W C 0.163 176.561 176.519 -0.202 0.000 1.109 479 W CA -1.339 55.662 57.345 -0.573 0.000 1.192 479 W CB 1.065 30.162 29.460 -0.605 0.000 1.426 479 W HN 0.648 nan 8.180 nan 0.000 0.529 480 G N 1.732 110.422 108.800 -0.184 0.000 3.061 480 G HA2 0.363 4.319 3.960 -0.006 0.000 0.208 480 G HA3 0.363 4.319 3.960 -0.006 0.000 0.208 480 G C 0.767 175.646 174.900 -0.034 0.000 1.175 480 G CA 0.475 45.736 45.100 0.268 0.000 0.812 480 G HN 1.599 nan 8.290 nan 0.000 0.523 481 G N 0.591 108.886 108.800 -0.842 0.000 2.552 481 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.265 481 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.265 481 G C -0.427 174.423 174.900 -0.085 0.000 1.234 481 G CA -0.010 44.649 45.100 -0.736 0.000 0.944 481 G HN 0.243 nan 8.290 nan 0.000 0.568 482 D N 1.705 122.070 120.400 -0.058 0.000 2.558 482 D HA 0.421 5.057 4.640 -0.006 0.000 0.221 482 D C 1.276 177.729 176.300 0.256 0.000 1.143 482 D CA 0.513 54.483 54.000 -0.049 0.000 1.010 482 D CB -0.740 39.999 40.800 -0.101 0.000 1.068 482 D HN 0.846 nan 8.370 nan 0.000 0.511 483 C N 0.247 119.745 119.300 0.329 0.000 2.396 483 C HA 0.593 5.049 4.460 -0.006 0.000 0.359 483 C C 0.407 175.666 174.990 0.449 0.000 1.307 483 C CA -0.938 58.334 59.018 0.422 0.000 2.392 483 C CB -0.073 27.973 27.740 0.510 0.000 2.245 483 C HN 0.406 nan 8.230 nan 0.000 0.615 484 Y N -0.769 119.729 120.300 0.330 0.000 2.496 484 Y HA 0.531 5.077 4.550 -0.006 0.000 0.331 484 Y C 0.811 176.917 175.900 0.344 0.000 1.140 484 Y CA -0.533 57.730 58.100 0.272 0.000 1.166 484 Y CB 1.552 40.137 38.460 0.208 0.000 1.249 484 Y HN 0.896 nan 8.280 nan 0.000 0.479 485 A N 2.974 126.002 122.820 0.346 0.000 3.118 485 A HA 0.287 4.604 4.320 -0.006 0.000 0.256 485 A C -0.777 176.995 177.584 0.312 0.000 1.667 485 A CA -0.175 52.038 52.037 0.294 0.000 1.338 485 A CB -1.687 17.375 19.000 0.103 0.000 1.127 485 A HN 0.777 nan 8.150 nan 0.000 0.634 486 N N -2.743 116.200 118.700 0.404 0.000 2.853 486 N HA 0.396 5.133 4.740 -0.006 0.000 0.258 486 N C -0.045 175.590 175.510 0.209 0.000 1.444 486 N CA -0.808 52.356 53.050 0.190 0.000 0.837 486 N CB 0.290 38.893 38.487 0.193 0.000 1.489 486 N HN -0.097 nan 8.380 nan 0.000 0.529 487 Y N -0.197 120.269 120.300 0.275 0.000 2.224 487 Y HA -0.039 4.507 4.550 -0.006 0.000 0.289 487 Y C 1.694 177.700 175.900 0.177 0.000 1.146 487 Y CA 1.404 59.659 58.100 0.258 0.000 1.182 487 Y CB -0.414 38.221 38.460 0.292 0.000 0.983 487 Y HN 0.662 nan 8.280 nan 0.000 0.524 488 E N -0.797 119.574 120.200 0.285 0.000 2.110 488 E HA -0.166 4.181 4.350 -0.006 0.000 0.193 488 E C 2.475 179.164 176.600 0.147 0.000 0.988 488 E CA 1.455 57.944 56.400 0.149 0.000 0.804 488 E CB -0.434 29.336 29.700 0.117 0.000 0.745 488 E HN 0.181 nan 8.360 nan 0.000 0.458 489 S N -0.565 115.266 115.700 0.219 0.000 2.414 489 S HA -0.037 4.430 4.470 -0.006 0.000 0.227 489 S C 1.843 176.596 174.600 0.255 0.000 1.022 489 S CA 0.756 59.122 58.200 0.276 0.000 0.958 489 S CB -0.132 63.317 63.200 0.416 0.000 0.797 489 S HN 0.257 nan 8.310 nan 0.000 0.493 490 M N 1.043 120.675 119.600 0.054 0.000 2.080 490 M HA -0.095 4.381 4.480 -0.006 0.000 0.260 490 M C 2.122 178.483 176.300 0.101 0.000 1.068 490 M CA 1.802 56.890 55.300 -0.353 0.000 1.109 490 M CB -0.461 31.790 32.600 -0.581 0.000 1.342 490 M HN 0.448 nan 8.290 nan 0.000 0.405 491 A N 0.784 123.689 122.820 0.143 0.000 1.877 491 A HA -0.242 4.074 4.320 -0.006 0.000 0.216 491 A C 1.937 179.550 177.584 0.048 0.000 1.186 491 A CA 1.979 53.978 52.037 -0.064 0.000 0.620 491 A CB -1.110 17.635 19.000 -0.425 0.000 0.822 491 A HN 0.780 nan 8.150 nan 0.000 0.443 492 E N 0.132 120.403 120.200 0.120 0.000 2.085 492 E HA -0.181 4.165 4.350 -0.006 0.000 0.194 492 E C 1.954 178.787 176.600 0.389 0.000 0.994 492 E CA 1.696 58.226 56.400 0.218 0.000 0.801 492 E CB -0.497 29.326 29.700 0.204 0.000 0.743 492 E HN 0.443 nan 8.360 nan 0.000 0.453 493 S N 1.288 117.240 115.700 0.420 0.000 2.359 493 S HA -0.186 4.280 4.470 -0.006 0.000 0.223 493 S C 1.907 176.826 174.600 0.532 0.000 1.039 493 S CA 1.425 59.995 58.200 0.616 0.000 1.042 493 S CB -0.502 63.091 63.200 0.655 0.000 0.915 493 S HN 0.309 nan 8.310 nan 0.000 0.439 494 L N 2.322 123.765 121.223 0.366 0.000 2.042 494 L HA -0.077 4.259 4.340 -0.006 0.000 0.210 494 L C 2.209 179.052 176.870 -0.046 0.000 1.076 494 L CA 1.686 56.630 54.840 0.174 0.000 0.749 494 L CB -0.652 41.431 42.059 0.042 0.000 0.893 494 L HN 0.152 nan 8.230 nan 0.000 0.432 495 R N -0.518 119.992 120.500 0.016 0.000 2.103 495 R HA -0.161 4.176 4.340 -0.006 0.000 0.242 495 R C 2.193 178.384 176.300 -0.183 0.000 1.142 495 R CA 1.311 57.380 56.100 -0.050 0.000 0.960 495 R CB -1.118 29.189 30.300 0.011 0.000 0.858 495 R HN 0.604 nan 8.270 nan 0.000 0.439 496 G N 0.281 108.982 108.800 -0.165 0.000 2.404 496 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.215 496 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.215 496 G C 1.528 175.982 174.900 -0.742 0.000 1.174 496 G CA 0.795 45.636 45.100 -0.431 0.000 0.780 496 G HN 0.453 nan 8.290 nan 0.000 0.537 497 G N 1.087 109.136 108.800 -1.252 0.000 2.459 497 G HA2 -0.195 3.762 3.960 -0.006 0.000 0.217 497 G HA3 -0.195 3.762 3.960 -0.006 0.000 0.217 497 G C 1.822 176.159 174.900 -0.938 0.000 1.183 497 G CA 0.878 44.708 45.100 -2.117 0.000 0.776 497 G HN 0.406 nan 8.290 nan 0.000 0.552 498 L N 0.700 121.582 121.223 -0.569 0.000 2.013 498 L HA -0.143 4.193 4.340 -0.006 0.000 0.212 498 L C 3.228 179.927 176.870 -0.284 0.000 1.073 498 L CA 1.588 56.236 54.840 -0.320 0.000 0.753 498 L CB -0.586 41.365 42.059 -0.179 0.000 0.890 498 L HN 0.208 nan 8.230 nan 0.000 0.432 499 S N -0.158 115.359 115.700 -0.305 0.000 2.368 499 S HA -0.149 4.317 4.470 -0.006 0.000 0.224 499 S C 1.967 176.418 174.600 -0.248 0.000 1.029 499 S CA 1.119 59.176 58.200 -0.239 0.000 0.988 499 S CB -0.257 62.784 63.200 -0.265 0.000 0.838 499 S HN 0.332 nan 8.310 nan 0.000 0.462 500 I N 1.574 121.924 120.570 -0.367 0.000 2.286 500 I HA -0.159 4.008 4.170 -0.006 0.000 0.248 500 I C 2.296 178.342 176.117 -0.119 0.000 1.115 500 I CA 1.191 62.301 61.300 -0.317 0.000 1.392 500 I CB -0.592 37.120 38.000 -0.480 0.000 1.065 500 I HN 0.391 nan 8.210 nan 0.000 0.418 501 G N 0.773 109.471 108.800 -0.171 0.000 2.422 501 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.218 501 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.218 501 G C 1.537 176.392 174.900 -0.076 0.000 1.146 501 G CA 0.401 45.439 45.100 -0.104 0.000 0.769 501 G HN 0.407 nan 8.290 nan 0.000 0.547 502 L N 1.081 122.252 121.223 -0.086 0.000 2.622 502 L HA 0.079 4.416 4.340 -0.006 0.000 0.233 502 L C 1.745 178.651 176.870 0.059 0.000 1.156 502 L CA 0.463 55.280 54.840 -0.039 0.000 0.866 502 L CB 0.291 42.315 42.059 -0.059 0.000 0.980 502 L HN 0.103 nan 8.230 nan 0.000 0.448 503 S N -0.910 114.815 115.700 0.041 0.000 2.650 503 S HA 0.384 4.850 4.470 -0.006 0.000 0.240 503 S C 1.190 175.792 174.600 0.003 0.000 1.007 503 S CA 0.398 58.643 58.200 0.074 0.000 0.984 503 S CB 1.180 64.441 63.200 0.101 0.000 0.910 503 S HN 0.512 nan 8.310 nan 0.000 0.509 504 G N 1.153 109.936 108.800 -0.028 0.000 2.192 504 G HA2 -0.184 3.773 3.960 -0.006 0.000 0.193 504 G HA3 -0.184 3.773 3.960 -0.006 0.000 0.193 504 G C -0.208 174.526 174.900 -0.277 0.000 0.999 504 G CA -0.739 44.289 45.100 -0.120 0.000 0.659 504 G HN 0.413 nan 8.290 nan 0.000 0.503 505 F N 0.872 120.723 119.950 -0.165 0.000 2.427 505 F HA 0.582 5.106 4.527 -0.006 0.000 0.346 505 F C 1.485 177.177 175.800 -0.181 0.000 1.120 505 F CA 0.134 58.035 58.000 -0.165 0.000 1.033 505 F CB 2.120 41.001 39.000 -0.198 0.000 1.126 505 F HN 0.005 nan 8.300 nan 0.000 0.462 506 G N 2.692 111.424 108.800 -0.113 0.000 2.683 506 G HA2 0.086 4.042 3.960 -0.006 0.000 0.213 506 G HA3 0.086 4.042 3.960 -0.006 0.000 0.213 506 G C -0.270 174.157 174.900 -0.788 0.000 1.142 506 G CA 0.356 45.136 45.100 -0.533 0.000 0.793 506 G HN 0.358 nan 8.290 nan 0.000 0.534 507 F N -1.415 118.632 119.950 0.161 0.000 2.557 507 F HA 0.612 5.136 4.527 -0.006 0.000 0.316 507 F C -1.041 174.885 175.800 0.210 0.000 1.141 507 F CA -1.559 56.537 58.000 0.159 0.000 0.922 507 F CB 1.901 40.908 39.000 0.012 0.000 1.194 507 F HN 0.050 nan 8.300 nan 0.000 0.443 508 W N 2.869 124.253 121.300 0.139 0.000 3.425 508 W HA 0.674 5.331 4.660 -0.005 0.000 0.318 508 W C -1.315 175.233 176.519 0.049 0.000 1.201 508 W CA -0.591 56.780 57.345 0.044 0.000 1.212 508 W CB 2.053 31.538 29.460 0.040 0.000 1.355 508 W HN 0.513 nan 8.180 nan 0.000 0.515 509 S N 2.258 117.481 115.700 -0.795 0.000 2.751 509 S HA 0.860 5.327 4.470 -0.006 0.000 0.310 509 S C -1.318 172.596 174.600 -1.144 0.000 1.128 509 S CA -0.345 57.362 58.200 -0.822 0.000 0.931 509 S CB 1.031 63.892 63.200 -0.565 0.000 1.177 509 S HN 0.706 nan 8.310 nan 0.000 0.530 510 H N -1.130 117.568 119.070 -0.620 0.000 3.037 510 H HA 0.485 5.037 4.556 -0.006 0.000 0.336 510 H C -2.134 173.157 175.328 -0.063 0.000 1.323 510 H CA -0.979 54.901 56.048 -0.279 0.000 1.159 510 H CB -0.041 29.553 29.762 -0.280 0.000 1.882 510 H HN 0.283 nan 8.280 nan 0.000 0.535 511 D N 1.745 122.212 120.400 0.111 0.000 2.352 511 D HA 0.189 4.826 4.640 -0.006 0.000 0.245 511 D C 0.253 176.286 176.300 -0.445 0.000 1.224 511 D CA -0.073 53.874 54.000 -0.089 0.000 0.879 511 D CB 0.480 41.331 40.800 0.085 0.000 1.057 511 D HN 0.417 nan 8.370 nan 0.000 0.491 512 I N 1.578 121.856 120.570 -0.487 0.000 2.668 512 I HA 0.101 4.268 4.170 -0.006 0.000 0.285 512 I C 1.684 177.310 176.117 -0.817 0.000 1.168 512 I CA 0.553 61.420 61.300 -0.722 0.000 1.424 512 I CB 0.451 38.220 38.000 -0.386 0.000 1.377 512 I HN 0.664 nan 8.210 nan 0.000 0.560 513 G N 3.929 111.975 108.800 -1.256 0.000 2.195 513 G HA2 -0.046 3.911 3.960 -0.006 0.000 0.246 513 G HA3 -0.046 3.911 3.960 -0.006 0.000 0.246 513 G C 0.551 174.988 174.900 -0.772 0.000 0.984 513 G CA -0.109 44.614 45.100 -0.628 0.000 0.633 513 G HN 1.619 nan 8.290 nan 0.000 0.525 514 G N -1.757 106.196 108.800 -1.411 0.000 2.785 514 G HA2 0.191 4.148 3.960 -0.006 0.000 0.686 514 G HA3 0.191 4.148 3.960 -0.006 0.000 0.686 514 G C 0.176 174.925 174.900 -0.252 0.000 1.155 514 G CA 0.188 44.858 45.100 -0.716 0.000 0.760 514 G HN 1.507 nan 8.290 nan 0.000 0.624 515 F N 1.398 121.234 119.950 -0.191 0.000 2.074 515 F HA 0.375 4.898 4.527 -0.006 0.000 0.290 515 F C 1.427 177.107 175.800 -0.199 0.000 1.118 515 F CA 1.686 59.586 58.000 -0.168 0.000 1.199 515 F CB 0.169 39.145 39.000 -0.040 0.000 1.012 515 F HN 0.633 nan 8.300 nan 0.000 0.472 516 E N 1.620 121.549 120.200 -0.452 0.000 2.249 516 E HA 0.276 4.623 4.350 -0.006 0.000 0.280 516 E C -0.843 175.501 176.600 -0.426 0.000 1.016 516 E CA -0.149 55.842 56.400 -0.681 0.000 0.830 516 E CB 0.326 29.406 29.700 -1.033 0.000 1.081 516 E HN 0.507 nan 8.360 nan 0.000 0.395 517 N N 1.234 119.766 118.700 -0.280 0.000 6.033 517 N HA -0.132 4.604 4.740 -0.006 0.000 0.394 517 N C -1.316 174.136 175.510 -0.097 0.000 1.156 517 N CA 0.611 53.599 53.050 -0.103 0.000 2.206 517 N CB -0.484 38.028 38.487 0.041 0.000 0.665 517 N HN 0.443 nan 8.380 nan 0.000 0.591 518 T N 0.821 115.344 114.554 -0.050 0.000 2.743 518 T HA 0.572 4.918 4.350 -0.006 0.000 0.292 518 T C 0.293 175.026 174.700 0.054 0.000 0.972 518 T CA -0.196 61.889 62.100 -0.026 0.000 0.967 518 T CB 1.109 69.919 68.868 -0.095 0.000 0.926 518 T HN 0.634 nan 8.240 nan 0.000 0.459 519 A N 5.961 128.867 122.820 0.145 0.000 2.498 519 A HA 0.486 4.803 4.320 -0.006 0.000 0.239 519 A C -2.055 175.599 177.584 0.118 0.000 1.068 519 A CA -1.120 50.993 52.037 0.125 0.000 0.766 519 A CB -0.400 18.681 19.000 0.135 0.000 1.003 519 A HN 0.485 nan 8.150 nan 0.000 0.497 520 P HA 0.123 nan 4.420 nan 0.000 0.267 520 P C 0.951 178.208 177.300 -0.073 0.000 1.201 520 P CA 0.687 63.736 63.100 -0.084 0.000 0.775 520 P CB 0.560 32.074 31.700 -0.310 0.000 0.854 521 A N 2.819 125.659 122.820 0.034 0.000 1.883 521 A HA -0.273 4.043 4.320 -0.006 0.000 0.217 521 A C 1.963 179.528 177.584 -0.031 0.000 1.186 521 A CA 2.414 54.488 52.037 0.063 0.000 0.624 521 A CB -1.982 17.054 19.000 0.059 0.000 0.822 521 A HN 0.840 nan 8.150 nan 0.000 0.444 522 H N -1.404 117.683 119.070 0.028 0.000 2.319 522 H HA -0.073 4.479 4.556 -0.006 0.000 0.299 522 H C 1.633 177.138 175.328 0.296 0.000 1.092 522 H CA 1.602 57.722 56.048 0.120 0.000 1.302 522 H CB -1.001 29.028 29.762 0.445 0.000 1.373 522 H HN 0.117 nan 8.280 nan 0.000 0.497 523 V N 0.634 120.428 119.914 -0.199 0.000 2.287 523 V HA -0.311 3.806 4.120 -0.006 0.000 0.248 523 V C 2.374 178.578 176.094 0.182 0.000 1.053 523 V CA 2.159 64.411 62.300 -0.079 0.000 1.027 523 V CB -0.976 30.649 31.823 -0.330 0.000 0.646 523 V HN 0.484 nan 8.190 nan 0.000 0.447 524 Y N 1.197 121.448 120.300 -0.082 0.000 2.128 524 Y HA -0.284 4.263 4.550 -0.006 0.000 0.284 524 Y C 2.532 178.415 175.900 -0.028 0.000 1.154 524 Y CA 2.041 60.024 58.100 -0.196 0.000 1.149 524 Y CB -0.219 37.803 38.460 -0.730 0.000 0.976 524 Y HN 0.171 nan 8.280 nan 0.000 0.505 525 K N -0.462 119.980 120.400 0.070 0.000 2.026 525 K HA -0.181 4.135 4.320 -0.006 0.000 0.208 525 K C 2.132 178.857 176.600 0.209 0.000 1.048 525 K CA 1.388 57.733 56.287 0.097 0.000 0.929 525 K CB -0.164 32.346 32.500 0.016 0.000 0.713 525 K HN 0.163 nan 8.250 nan 0.000 0.439 526 R N 0.365 121.076 120.500 0.352 0.000 2.091 526 R HA -0.152 4.185 4.340 -0.006 0.000 0.238 526 R C 1.940 178.377 176.300 0.227 0.000 1.136 526 R CA 1.045 57.334 56.100 0.316 0.000 0.959 526 R CB -0.710 29.854 30.300 0.440 0.000 0.856 526 R HN 0.476 nan 8.270 nan 0.000 0.437 527 W N 0.778 122.130 121.300 0.087 0.000 2.436 527 W HA -0.124 4.533 4.660 -0.006 0.000 0.284 527 W C 2.041 178.533 176.519 -0.044 0.000 1.225 527 W CA 0.031 57.440 57.345 0.106 0.000 1.271 527 W CB -0.608 28.887 29.460 0.057 0.000 1.114 527 W HN 0.049 nan 8.180 nan 0.000 0.559 528 C N 0.391 119.709 119.300 0.030 0.000 2.413 528 C HA -0.198 4.259 4.460 -0.006 0.000 0.276 528 C C 3.094 178.015 174.990 -0.116 0.000 1.236 528 C CA 1.990 60.936 59.018 -0.119 0.000 1.735 528 C CB -1.541 26.078 27.740 -0.201 0.000 2.031 528 C HN 0.368 nan 8.230 nan 0.000 0.474 529 A N -0.210 122.437 122.820 -0.289 0.000 1.902 529 A HA -0.189 4.127 4.320 -0.006 0.000 0.217 529 A C 1.962 179.444 177.584 -0.170 0.000 1.181 529 A CA 1.833 53.391 52.037 -0.799 0.000 0.623 529 A CB -0.832 17.650 19.000 -0.863 0.000 0.818 529 A HN 0.549 nan 8.150 nan 0.000 0.443 530 F N 1.360 121.261 119.950 -0.081 0.000 2.102 530 F HA 0.001 4.524 4.527 -0.006 0.000 0.298 530 F C 2.234 178.218 175.800 0.307 0.000 1.105 530 F CA 1.380 59.448 58.000 0.113 0.000 1.239 530 F CB -1.058 37.958 39.000 0.027 0.000 0.991 530 F HN 0.160 nan 8.300 nan 0.000 0.474 531 G N 0.805 109.675 108.800 0.117 0.000 2.408 531 G HA2 -0.152 3.805 3.960 -0.006 0.000 0.217 531 G HA3 -0.152 3.805 3.960 -0.006 0.000 0.217 531 G C 1.563 176.462 174.900 -0.002 0.000 1.150 531 G CA 0.592 45.639 45.100 -0.087 0.000 0.776 531 G HN 0.346 nan 8.290 nan 0.000 0.542 532 L N 0.119 121.386 121.223 0.074 0.000 2.478 532 L HA 0.201 4.538 4.340 -0.006 0.000 0.223 532 L C 1.383 178.380 176.870 0.212 0.000 1.140 532 L CA 0.694 55.621 54.840 0.146 0.000 0.842 532 L CB -0.350 41.831 42.059 0.203 0.000 0.953 532 L HN 0.143 nan 8.230 nan 0.000 0.452 533 L N -1.023 120.353 121.223 0.254 0.000 2.984 533 L HA 0.252 4.588 4.340 -0.006 0.000 0.246 533 L C 0.524 177.662 176.870 0.448 0.000 1.268 533 L CA 0.266 55.314 54.840 0.347 0.000 1.054 533 L CB -0.488 41.787 42.059 0.360 0.000 1.393 533 L HN 0.016 nan 8.230 nan 0.000 0.532 534 S N -1.509 114.390 115.700 0.331 0.000 2.689 534 S HA 0.334 4.800 4.470 -0.006 0.000 0.306 534 S C 1.245 176.005 174.600 0.265 0.000 1.104 534 S CA 0.033 58.430 58.200 0.329 0.000 0.973 534 S CB 2.041 65.403 63.200 0.269 0.000 1.121 534 S HN 0.374 nan 8.310 nan 0.000 0.523 535 S N 0.710 116.593 115.700 0.306 0.000 2.370 535 S HA -0.143 4.324 4.470 -0.006 0.000 0.226 535 S C 0.175 174.759 174.600 -0.027 0.000 1.033 535 S CA 1.294 59.690 58.200 0.326 0.000 1.011 535 S CB -0.488 63.052 63.200 0.567 0.000 0.852 535 S HN 0.760 nan 8.310 nan 0.000 0.457 536 H N 0.003 119.066 119.070 -0.012 0.000 2.600 536 H HA 0.706 5.259 4.556 -0.006 0.000 0.357 536 H C -1.107 174.103 175.328 -0.196 0.000 1.106 536 H CA -0.472 55.482 56.048 -0.157 0.000 1.193 536 H CB 2.113 31.677 29.762 -0.330 0.000 1.594 536 H HN 0.146 nan 8.280 nan 0.000 0.526 537 S N 2.802 118.462 115.700 -0.067 0.000 2.659 537 S HA 0.504 4.970 4.470 -0.006 0.000 0.312 537 S C -0.535 174.014 174.600 -0.085 0.000 1.114 537 S CA -0.875 57.269 58.200 -0.094 0.000 1.063 537 S CB 1.168 64.393 63.200 0.041 0.000 0.996 537 S HN 0.535 nan 8.310 nan 0.000 0.478 538 R N 2.966 123.339 120.500 -0.212 0.000 2.538 538 R HA 0.451 4.787 4.340 -0.006 0.000 0.292 538 R C -1.601 174.587 176.300 -0.187 0.000 1.008 538 R CA -0.652 55.324 56.100 -0.207 0.000 0.896 538 R CB 0.868 30.895 30.300 -0.454 0.000 1.187 538 R HN 0.595 nan 8.270 nan 0.000 0.440 539 L N 4.982 126.145 121.223 -0.100 0.000 2.295 539 L HA 0.310 4.646 4.340 -0.006 0.000 0.288 539 L C -0.521 176.338 176.870 -0.017 0.000 1.079 539 L CA -0.231 54.565 54.840 -0.074 0.000 0.830 539 L CB 0.340 42.385 42.059 -0.023 0.000 1.200 539 L HN 0.574 nan 8.230 nan 0.000 0.438 540 H N 2.430 121.415 119.070 -0.141 0.000 2.865 540 H HA 0.748 5.300 4.556 -0.006 0.000 0.362 540 H C -0.655 174.690 175.328 0.028 0.000 1.114 540 H CA -0.486 55.517 56.048 -0.074 0.000 1.208 540 H CB 2.030 31.700 29.762 -0.153 0.000 1.727 540 H HN 0.505 nan 8.280 nan 0.000 0.534 541 G N 1.513 109.979 108.800 -0.557 0.000 2.642 541 G HA2 0.366 4.323 3.960 -0.006 0.000 0.293 541 G HA3 0.366 4.323 3.960 -0.006 0.000 0.293 541 G C -0.116 174.426 174.900 -0.598 0.000 1.341 541 G CA -0.073 44.739 45.100 -0.480 0.000 0.916 541 G HN 0.633 nan 8.290 nan 0.000 0.474 542 S N -0.470 114.718 115.700 -0.852 0.000 2.327 542 S HA 0.055 4.521 4.470 -0.006 0.000 0.213 542 S C 1.761 176.222 174.600 -0.232 0.000 1.032 542 S CA 1.272 59.025 58.200 -0.745 0.000 0.960 542 S CB -0.167 62.304 63.200 -1.215 0.000 0.900 542 S HN 0.496 nan 8.310 nan 0.000 0.469 543 K N 0.473 120.694 120.400 -0.299 0.000 2.402 543 K HA 0.259 4.575 4.320 -0.006 0.000 0.203 543 K C -0.133 176.284 176.600 -0.305 0.000 1.077 543 K CA -0.024 56.120 56.287 -0.237 0.000 1.051 543 K CB 1.145 33.532 32.500 -0.188 0.000 0.907 543 K HN 0.401 nan 8.250 nan 0.000 0.554 544 S N -0.562 114.936 115.700 -0.338 0.000 2.632 544 S HA 0.481 4.948 4.470 -0.006 0.000 0.289 544 S C -0.673 173.691 174.600 -0.392 0.000 1.115 544 S CA -0.996 56.960 58.200 -0.406 0.000 0.889 544 S CB 0.607 63.627 63.200 -0.299 0.000 1.116 544 S HN -0.020 nan 8.310 nan 0.000 0.486 545 Y N 0.567 120.778 120.300 -0.148 0.000 2.314 545 Y HA 0.469 5.016 4.550 -0.006 0.000 0.334 545 Y C 1.744 177.512 175.900 -0.221 0.000 1.266 545 Y CA -0.785 57.205 58.100 -0.184 0.000 1.391 545 Y CB 0.540 38.843 38.460 -0.260 0.000 1.306 545 Y HN 0.522 nan 8.280 nan 0.000 0.558 546 R N 0.733 121.213 120.500 -0.034 0.000 2.543 546 R HA 0.170 4.506 4.340 -0.006 0.000 0.323 546 R C -0.777 175.466 176.300 -0.095 0.000 1.002 546 R CA -0.143 55.982 56.100 0.042 0.000 1.106 546 R CB -0.372 29.962 30.300 0.057 0.000 1.280 546 R HN 0.540 nan 8.270 nan 0.000 0.549 547 V N 0.204 119.825 119.914 -0.489 0.000 2.617 547 V HA 0.085 4.202 4.120 -0.006 0.000 0.304 547 V C -1.456 174.289 176.094 -0.582 0.000 1.040 547 V CA -1.108 60.664 62.300 -0.880 0.000 1.149 547 V CB 0.593 31.173 31.823 -2.071 0.000 0.914 547 V HN -0.065 nan 8.190 nan 0.000 0.487 548 P HA -0.122 nan 4.420 nan 0.000 0.217 548 P C 1.292 178.635 177.300 0.072 0.000 1.148 548 P CA 2.158 65.308 63.100 0.083 0.000 0.828 548 P CB -0.148 31.729 31.700 0.295 0.000 0.783 549 W N -0.646 120.666 121.300 0.020 0.000 2.825 549 W HA 0.336 4.993 4.660 -0.006 0.000 0.243 549 W C 1.712 178.186 176.519 -0.075 0.000 1.293 549 W CA 0.489 57.826 57.345 -0.014 0.000 1.403 549 W CB -1.624 27.824 29.460 -0.020 0.000 1.134 549 W HN -0.145 nan 8.180 nan 0.000 0.666 550 A N -0.201 122.390 122.820 -0.381 0.000 2.119 550 A HA -0.013 4.303 4.320 -0.006 0.000 0.217 550 A C 1.324 178.549 177.584 -0.598 0.000 1.153 550 A CA 1.062 52.817 52.037 -0.470 0.000 0.692 550 A CB -0.701 17.913 19.000 -0.643 0.000 0.799 550 A HN 0.496 nan 8.150 nan 0.000 0.458 551 Y N -0.006 120.112 120.300 -0.303 0.000 2.331 551 Y HA 0.283 4.829 4.550 -0.006 0.000 0.282 551 Y C 0.682 176.514 175.900 -0.113 0.000 1.140 551 Y CA 0.444 58.380 58.100 -0.273 0.000 1.198 551 Y CB 0.284 38.449 38.460 -0.493 0.000 1.159 551 Y HN 0.511 nan 8.280 nan 0.000 0.512 552 D N -3.023 117.446 120.400 0.116 0.000 2.738 552 D HA 0.066 4.703 4.640 -0.006 0.000 0.308 552 D C -0.187 176.191 176.300 0.129 0.000 1.311 552 D CA -0.413 53.646 54.000 0.097 0.000 0.799 552 D CB 0.137 40.980 40.800 0.073 0.000 1.332 552 D HN -0.113 nan 8.370 nan 0.000 0.441 553 D N -0.111 120.357 120.400 0.113 0.000 2.084 553 D HA -0.159 4.477 4.640 -0.006 0.000 0.194 553 D C 1.439 177.816 176.300 0.128 0.000 0.990 553 D CA 1.447 55.519 54.000 0.119 0.000 0.826 553 D CB 0.066 40.920 40.800 0.091 0.000 0.971 553 D HN 0.673 nan 8.370 nan 0.000 0.453 554 E N 0.570 120.837 120.200 0.112 0.000 2.171 554 E HA -0.160 4.187 4.350 -0.006 0.000 0.197 554 E C 1.922 178.611 176.600 0.148 0.000 0.997 554 E CA 1.034 57.506 56.400 0.120 0.000 0.810 554 E CB 0.154 29.912 29.700 0.096 0.000 0.738 554 E HN 0.005 nan 8.360 nan 0.000 0.467 555 S N -0.355 115.440 115.700 0.159 0.000 2.399 555 S HA -0.169 4.297 4.470 -0.006 0.000 0.231 555 S C 2.019 176.783 174.600 0.274 0.000 1.022 555 S CA 1.017 59.362 58.200 0.241 0.000 0.983 555 S CB -0.266 63.106 63.200 0.287 0.000 0.803 555 S HN 0.477 nan 8.310 nan 0.000 0.480 556 C N 1.956 121.403 119.300 0.245 0.000 2.429 556 C HA -0.071 4.386 4.460 -0.006 0.000 0.277 556 C C 2.419 177.534 174.990 0.208 0.000 1.262 556 C CA 0.385 59.550 59.018 0.245 0.000 1.733 556 C CB -1.181 26.695 27.740 0.226 0.000 2.010 556 C HN 0.564 nan 8.230 nan 0.000 0.483 557 D N 0.686 121.196 120.400 0.184 0.000 2.117 557 D HA -0.094 4.543 4.640 -0.006 0.000 0.198 557 D C 2.197 178.630 176.300 0.221 0.000 0.982 557 D CA 1.052 55.155 54.000 0.170 0.000 0.828 557 D CB -0.518 40.363 40.800 0.134 0.000 0.967 557 D HN 0.300 nan 8.370 nan 0.000 0.464 558 V N 1.018 121.088 119.914 0.261 0.000 2.261 558 V HA -0.216 3.900 4.120 -0.006 0.000 0.246 558 V C 2.739 179.100 176.094 0.444 0.000 1.047 558 V CA 1.119 63.649 62.300 0.383 0.000 1.015 558 V CB -0.543 31.505 31.823 0.375 0.000 0.642 558 V HN 0.047 nan 8.190 nan 0.000 0.446 559 V N 0.074 120.175 119.914 0.312 0.000 2.332 559 V HA -0.297 3.820 4.120 -0.006 0.000 0.248 559 V C 2.584 178.824 176.094 0.244 0.000 1.055 559 V CA 2.462 64.919 62.300 0.263 0.000 1.038 559 V CB -0.838 31.113 31.823 0.213 0.000 0.651 559 V HN 0.514 nan 8.190 nan 0.000 0.450 560 R N -0.556 120.073 120.500 0.214 0.000 2.080 560 R HA -0.234 4.103 4.340 -0.006 0.000 0.236 560 R C 2.343 178.710 176.300 0.111 0.000 1.137 560 R CA 2.433 58.623 56.100 0.151 0.000 0.943 560 R CB -0.527 29.857 30.300 0.140 0.000 0.846 560 R HN 0.473 nan 8.270 nan 0.000 0.431 561 F N 0.357 120.278 119.950 -0.049 0.000 2.102 561 F HA -0.188 4.335 4.527 -0.006 0.000 0.298 561 F C 1.646 177.241 175.800 -0.342 0.000 1.105 561 F CA 1.697 59.538 58.000 -0.265 0.000 1.239 561 F CB -0.264 38.484 39.000 -0.419 0.000 0.991 561 F HN -0.004 nan 8.300 nan 0.000 0.474 562 F N -0.348 119.658 119.950 0.094 0.000 2.512 562 F HA -0.043 4.480 4.527 -0.006 0.000 0.296 562 F C 2.405 178.196 175.800 -0.015 0.000 1.110 562 F CA 1.277 59.280 58.000 0.005 0.000 1.446 562 F CB -1.118 37.980 39.000 0.163 0.000 1.092 562 F HN -0.156 nan 8.300 nan 0.000 0.554 563 T N -0.646 114.012 114.554 0.174 0.000 2.770 563 T HA -0.173 4.173 4.350 -0.006 0.000 0.263 563 T C 1.927 176.671 174.700 0.073 0.000 1.039 563 T CA 1.226 63.421 62.100 0.157 0.000 1.142 563 T CB -0.255 68.717 68.868 0.174 0.000 0.868 563 T HN 0.253 nan 8.240 nan 0.000 0.435 564 Q N 0.300 120.078 119.800 -0.037 0.000 2.061 564 Q HA -0.118 4.219 4.340 -0.006 0.000 0.204 564 Q C 2.350 178.250 176.000 -0.167 0.000 0.984 564 Q CA 1.349 57.084 55.803 -0.113 0.000 0.846 564 Q CB -0.423 28.193 28.738 -0.203 0.000 0.902 564 Q HN 0.312 nan 8.270 nan 0.000 0.421 565 L N 1.331 122.359 121.223 -0.324 0.000 2.013 565 L HA -0.250 4.086 4.340 -0.006 0.000 0.212 565 L C 2.220 179.045 176.870 -0.075 0.000 1.073 565 L CA 1.995 56.644 54.840 -0.319 0.000 0.753 565 L CB -0.449 41.292 42.059 -0.529 0.000 0.890 565 L HN 0.058 nan 8.230 nan 0.000 0.432 566 K N -1.224 119.193 120.400 0.028 0.000 2.057 566 K HA -0.196 4.121 4.320 -0.006 0.000 0.207 566 K C 2.140 178.806 176.600 0.111 0.000 1.049 566 K CA 1.873 58.226 56.287 0.110 0.000 0.931 566 K CB -0.389 32.211 32.500 0.167 0.000 0.714 566 K HN 0.549 nan 8.250 nan 0.000 0.440 567 C N 0.744 120.114 119.300 0.117 0.000 2.413 567 C HA -0.055 4.401 4.460 -0.006 0.000 0.276 567 C C 2.627 177.757 174.990 0.233 0.000 1.248 567 C CA 0.662 59.790 59.018 0.183 0.000 1.742 567 C CB -0.923 26.905 27.740 0.147 0.000 2.017 567 C HN 0.503 nan 8.230 nan 0.000 0.481 568 R N 0.230 120.793 120.500 0.105 0.000 2.096 568 R HA -0.058 4.279 4.340 -0.006 0.000 0.235 568 R C 1.981 178.337 176.300 0.093 0.000 1.127 568 R CA 1.250 57.408 56.100 0.097 0.000 0.968 568 R CB -0.322 29.965 30.300 -0.021 0.000 0.861 568 R HN 0.587 nan 8.270 nan 0.000 0.440 569 M N -0.057 119.580 119.600 0.062 0.000 2.619 569 M HA -0.007 4.470 4.480 -0.006 0.000 0.251 569 M C 1.737 178.034 176.300 -0.004 0.000 1.106 569 M CA 0.528 55.864 55.300 0.061 0.000 1.086 569 M CB 0.077 32.746 32.600 0.115 0.000 1.465 569 M HN 0.041 nan 8.290 nan 0.000 0.506 570 M N 0.167 119.715 119.600 -0.086 0.000 2.149 570 M HA -0.110 4.367 4.480 -0.006 0.000 0.261 570 M C -0.685 175.089 176.300 -0.878 0.000 1.064 570 M CA 1.853 56.920 55.300 -0.388 0.000 1.102 570 M CB -2.208 30.230 32.600 -0.269 0.000 1.369 570 M HN 0.018 nan 8.290 nan 0.000 0.408 571 P HA -0.185 nan 4.420 nan 0.000 0.216 571 P C 1.562 178.662 177.300 -0.334 0.000 1.150 571 P CA 1.218 63.890 63.100 -0.714 0.000 0.837 571 P CB -0.356 31.166 31.700 -0.296 0.000 0.786 572 Y N 0.177 120.312 120.300 -0.275 0.000 2.133 572 Y HA -0.150 4.396 4.550 -0.006 0.000 0.287 572 Y C 1.973 177.768 175.900 -0.176 0.000 1.134 572 Y CA 1.376 59.382 58.100 -0.157 0.000 1.133 572 Y CB -1.174 37.235 38.460 -0.085 0.000 0.987 572 Y HN -0.254 nan 8.280 nan 0.000 0.502 573 L N -0.565 120.447 121.223 -0.352 0.000 2.017 573 L HA -0.224 4.112 4.340 -0.006 0.000 0.208 573 L C 2.314 178.919 176.870 -0.441 0.000 1.073 573 L CA 1.808 56.401 54.840 -0.412 0.000 0.745 573 L CB -1.893 40.056 42.059 -0.184 0.000 0.894 573 L HN 0.352 nan 8.230 nan 0.000 0.432 574 Y N 0.253 120.136 120.300 -0.695 0.000 2.274 574 Y HA -0.278 4.269 4.550 -0.006 0.000 0.290 574 Y C 2.808 178.461 175.900 -0.411 0.000 1.145 574 Y CA 1.628 59.313 58.100 -0.690 0.000 1.203 574 Y CB -0.116 37.779 38.460 -0.941 0.000 0.984 574 Y HN 0.098 nan 8.280 nan 0.000 0.533 575 R N 0.862 121.173 120.500 -0.314 0.000 2.081 575 R HA -0.132 4.204 4.340 -0.006 0.000 0.235 575 R C 1.903 178.046 176.300 -0.262 0.000 1.131 575 R CA 1.932 57.895 56.100 -0.229 0.000 0.960 575 R CB -0.486 29.721 30.300 -0.155 0.000 0.856 575 R HN 0.228 nan 8.270 nan 0.000 0.436 576 E N 0.300 120.285 120.200 -0.359 0.000 2.110 576 E HA -0.111 4.235 4.350 -0.006 0.000 0.193 576 E C 1.909 178.393 176.600 -0.193 0.000 0.988 576 E CA 1.375 57.592 56.400 -0.307 0.000 0.804 576 E CB -0.533 28.909 29.700 -0.430 0.000 0.745 576 E HN 0.444 nan 8.360 nan 0.000 0.458 577 A N 1.554 124.268 122.820 -0.176 0.000 1.940 577 A HA -0.134 4.182 4.320 -0.006 0.000 0.219 577 A C 2.410 179.986 177.584 -0.012 0.000 1.176 577 A CA 2.192 54.260 52.037 0.051 0.000 0.631 577 A CB -0.568 18.385 19.000 -0.077 0.000 0.814 577 A HN 0.272 nan 8.150 nan 0.000 0.446 578 A N -0.893 121.801 122.820 -0.210 0.000 2.015 578 A HA -0.080 4.236 4.320 -0.006 0.000 0.219 578 A C 2.195 179.731 177.584 -0.080 0.000 1.163 578 A CA 1.410 53.360 52.037 -0.145 0.000 0.646 578 A CB -0.411 18.498 19.000 -0.152 0.000 0.806 578 A HN 0.527 nan 8.150 nan 0.000 0.448 579 R N -0.549 119.891 120.500 -0.100 0.000 2.092 579 R HA -0.075 4.262 4.340 -0.006 0.000 0.231 579 R C 2.394 178.634 176.300 -0.101 0.000 1.119 579 R CA 1.147 57.190 56.100 -0.096 0.000 0.970 579 R CB -0.329 29.902 30.300 -0.114 0.000 0.864 579 R HN 0.498 nan 8.270 nan 0.000 0.440 580 A N 1.192 123.940 122.820 -0.120 0.000 1.908 580 A HA -0.236 4.081 4.320 -0.006 0.000 0.218 580 A C 1.932 179.471 177.584 -0.075 0.000 1.181 580 A CA 1.763 53.696 52.037 -0.173 0.000 0.627 580 A CB -0.822 17.922 19.000 -0.426 0.000 0.818 580 A HN 0.488 nan 8.150 nan 0.000 0.445 581 N N 0.111 118.820 118.700 0.014 0.000 2.171 581 N HA -0.074 4.663 4.740 -0.006 0.000 0.184 581 N C 1.857 177.345 175.510 -0.037 0.000 1.021 581 N CA 1.384 54.444 53.050 0.017 0.000 0.854 581 N CB -0.177 38.341 38.487 0.051 0.000 0.994 581 N HN 0.360 nan 8.380 nan 0.000 0.426 582 A N 0.935 123.728 122.820 -0.045 0.000 1.935 582 A HA 0.063 4.380 4.320 -0.006 0.000 0.214 582 A C 1.863 179.407 177.584 -0.066 0.000 1.178 582 A CA 0.682 52.689 52.037 -0.051 0.000 0.640 582 A CB 0.055 19.029 19.000 -0.045 0.000 0.825 582 A HN 0.351 nan 8.150 nan 0.000 0.447 583 R N -2.080 118.374 120.500 -0.078 0.000 2.531 583 R HA 0.274 4.611 4.340 -0.006 0.000 0.316 583 R C 0.938 177.177 176.300 -0.101 0.000 0.955 583 R CA 0.467 56.517 56.100 -0.084 0.000 1.120 583 R CB 0.416 30.671 30.300 -0.075 0.000 1.361 583 R HN 0.631 nan 8.270 nan 0.000 0.534 584 G N 1.933 110.662 108.800 -0.119 0.000 2.168 584 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.257 584 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.257 584 G C 0.139 174.952 174.900 -0.144 0.000 0.997 584 G CA 0.746 45.759 45.100 -0.144 0.000 0.708 584 G HN 0.271 nan 8.290 nan 0.000 0.520 585 T N 3.635 118.106 114.554 -0.139 0.000 2.738 585 T HA 0.459 4.805 4.350 -0.006 0.000 0.293 585 T C -1.590 172.999 174.700 -0.184 0.000 0.913 585 T CA -0.398 61.620 62.100 -0.138 0.000 1.103 585 T CB 1.758 70.555 68.868 -0.117 0.000 0.880 585 T HN 0.302 nan 8.240 nan 0.000 0.526 586 P HA 0.166 nan 4.420 nan 0.000 0.272 586 P C 0.857 178.046 177.300 -0.185 0.000 1.223 586 P CA -0.378 62.584 63.100 -0.229 0.000 0.784 586 P CB 0.826 32.431 31.700 -0.158 0.000 0.923 587 M N 0.601 120.069 119.600 -0.219 0.000 2.117 587 M HA -0.058 4.419 4.480 -0.006 0.000 0.262 587 M C 1.424 177.753 176.300 0.048 0.000 1.065 587 M CA 1.776 57.035 55.300 -0.068 0.000 1.114 587 M CB -0.092 32.516 32.600 0.013 0.000 1.361 587 M HN 0.377 nan 8.290 nan 0.000 0.408 588 M N 1.201 120.823 119.600 0.037 0.000 2.063 588 M HA 0.261 4.737 4.480 -0.006 0.000 0.348 588 M C -1.063 175.239 176.300 0.003 0.000 1.180 588 M CA 0.008 55.337 55.300 0.048 0.000 1.059 588 M CB 0.478 33.029 32.600 -0.082 0.000 1.544 588 M HN 0.021 nan 8.290 nan 0.000 0.447 589 R N 3.761 124.324 120.500 0.104 0.000 2.480 589 R HA 0.628 4.964 4.340 -0.006 0.000 0.306 589 R C -0.446 175.903 176.300 0.082 0.000 0.958 589 R CA -0.720 55.405 56.100 0.042 0.000 0.861 589 R CB 1.694 32.009 30.300 0.026 0.000 1.171 589 R HN 0.808 nan 8.270 nan 0.000 0.445 590 A N 3.874 126.690 122.820 -0.007 0.000 2.540 590 A HA 0.013 4.330 4.320 -0.006 0.000 0.239 590 A C 1.401 178.998 177.584 0.022 0.000 1.061 590 A CA -0.155 51.875 52.037 -0.012 0.000 0.758 590 A CB 0.159 19.085 19.000 -0.124 0.000 0.991 590 A HN 0.798 nan 8.150 nan 0.000 0.502 591 M N 2.096 121.741 119.600 0.076 0.000 2.108 591 M HA -0.263 4.214 4.480 -0.006 0.000 0.257 591 M C 2.017 178.396 176.300 0.131 0.000 1.071 591 M CA 2.593 57.985 55.300 0.153 0.000 1.093 591 M CB -1.506 31.155 32.600 0.103 0.000 1.345 591 M HN 1.016 nan 8.290 nan 0.000 0.403 592 M N -1.321 118.261 119.600 -0.031 0.000 2.279 592 M HA -0.103 4.374 4.480 -0.006 0.000 0.264 592 M C 2.051 178.267 176.300 -0.140 0.000 1.062 592 M CA 1.730 56.964 55.300 -0.111 0.000 1.099 592 M CB -0.922 31.489 32.600 -0.314 0.000 1.394 592 M HN 0.247 nan 8.290 nan 0.000 0.426 593 M N -0.252 119.252 119.600 -0.160 0.000 2.200 593 M HA -0.095 4.382 4.480 -0.006 0.000 0.265 593 M C 1.789 178.004 176.300 -0.142 0.000 1.066 593 M CA 1.839 57.043 55.300 -0.159 0.000 1.127 593 M CB 0.007 32.514 32.600 -0.156 0.000 1.379 593 M HN 0.443 nan 8.290 nan 0.000 0.420 594 E N -0.114 120.003 120.200 -0.138 0.000 2.250 594 E HA 0.018 4.364 4.350 -0.006 0.000 0.192 594 E C -0.434 175.747 176.600 -0.699 0.000 0.986 594 E CA 0.839 57.008 56.400 -0.385 0.000 0.849 594 E CB 0.247 29.717 29.700 -0.384 0.000 0.797 594 E HN 0.490 nan 8.360 nan 0.000 0.482 595 F N 0.596 120.552 119.950 0.010 0.000 2.523 595 F HA 0.332 4.855 4.527 -0.006 0.000 0.322 595 F C -1.770 174.026 175.800 -0.007 0.000 1.361 595 F CA -1.930 56.086 58.000 0.027 0.000 1.151 595 F CB 1.604 40.649 39.000 0.074 0.000 1.391 595 F HN -0.027 nan 8.300 nan 0.000 0.566 596 P HA -0.131 nan 4.420 nan 0.000 0.221 596 P C 0.612 177.941 177.300 0.047 0.000 1.150 596 P CA 1.413 64.523 63.100 0.018 0.000 0.800 596 P CB 0.399 32.085 31.700 -0.024 0.000 0.787 597 D N -0.617 119.831 120.400 0.080 0.000 2.355 597 D HA -0.034 4.602 4.640 -0.006 0.000 0.218 597 D C 0.318 176.668 176.300 0.083 0.000 1.004 597 D CA 0.634 54.679 54.000 0.075 0.000 0.880 597 D CB -0.079 40.767 40.800 0.076 0.000 0.911 597 D HN 0.196 nan 8.370 nan 0.000 0.528 598 D N 1.484 121.948 120.400 0.106 0.000 2.380 598 D HA 0.071 4.707 4.640 -0.006 0.000 0.230 598 D C -1.432 174.873 176.300 0.010 0.000 1.154 598 D CA -2.183 51.864 54.000 0.077 0.000 0.859 598 D CB 1.867 42.736 40.800 0.116 0.000 1.045 598 D HN -0.089 nan 8.370 nan 0.000 0.495 599 P HA -0.091 nan 4.420 nan 0.000 0.223 599 P C 0.795 178.062 177.300 -0.055 0.000 1.144 599 P CA 0.489 63.584 63.100 -0.008 0.000 0.783 599 P CB 0.248 31.957 31.700 0.016 0.000 0.771 600 A N -1.171 121.546 122.820 -0.171 0.000 2.208 600 A HA 0.007 4.323 4.320 -0.006 0.000 0.209 600 A C 1.998 179.316 177.584 -0.443 0.000 1.161 600 A CA 0.602 52.413 52.037 -0.376 0.000 0.782 600 A CB -1.184 17.327 19.000 -0.816 0.000 0.816 600 A HN 0.247 nan 8.150 nan 0.000 0.477 601 C N -0.335 118.803 119.300 -0.270 0.000 2.791 601 C HA 0.109 4.565 4.460 -0.006 0.000 0.270 601 C C 1.683 176.639 174.990 -0.056 0.000 1.257 601 C CA -0.175 58.747 59.018 -0.159 0.000 1.699 601 C CB -0.796 26.917 27.740 -0.045 0.000 1.904 601 C HN 0.546 nan 8.230 nan 0.000 0.603 602 D N 0.794 121.164 120.400 -0.051 0.000 2.117 602 D HA -0.111 4.526 4.640 -0.006 0.000 0.197 602 D C 1.087 177.278 176.300 -0.182 0.000 0.987 602 D CA 1.652 55.575 54.000 -0.129 0.000 0.829 602 D CB -0.103 40.528 40.800 -0.281 0.000 0.961 602 D HN 0.556 nan 8.370 nan 0.000 0.460 603 Y N -0.122 120.226 120.300 0.080 0.000 2.467 603 Y HA 0.291 4.838 4.550 -0.006 0.000 0.250 603 Y C 0.557 176.505 175.900 0.081 0.000 1.155 603 Y CA -0.338 57.806 58.100 0.074 0.000 1.249 603 Y CB 0.264 38.743 38.460 0.032 0.000 1.146 603 Y HN -0.203 nan 8.280 nan 0.000 0.524 604 L N 2.685 124.008 121.223 0.167 0.000 2.418 604 L HA 0.062 4.398 4.340 -0.006 0.000 0.274 604 L C 0.396 177.334 176.870 0.112 0.000 1.135 604 L CA 0.443 55.362 54.840 0.132 0.000 0.870 604 L CB 0.537 42.618 42.059 0.037 0.000 1.154 604 L HN 0.330 nan 8.230 nan 0.000 0.462 605 D N 1.604 122.072 120.400 0.113 0.000 2.497 605 D HA -0.003 4.634 4.640 -0.006 0.000 0.256 605 D C 1.035 177.373 176.300 0.063 0.000 1.273 605 D CA -0.203 53.843 54.000 0.077 0.000 0.812 605 D CB 0.338 41.174 40.800 0.060 0.000 1.190 605 D HN 0.388 nan 8.370 nan 0.000 0.524 606 R N 0.512 121.068 120.500 0.095 0.000 2.509 606 R HA 0.227 4.563 4.340 -0.006 0.000 0.300 606 R C 0.342 176.764 176.300 0.204 0.000 0.985 606 R CA 0.060 56.239 56.100 0.132 0.000 1.092 606 R CB 0.714 31.071 30.300 0.094 0.000 1.237 606 R HN 0.396 nan 8.270 nan 0.000 0.546 607 Q N -0.187 119.709 119.800 0.159 0.000 2.565 607 Q HA 0.457 4.793 4.340 -0.006 0.000 0.294 607 Q C -1.375 174.755 176.000 0.218 0.000 1.005 607 Q CA -1.180 54.683 55.803 0.099 0.000 0.771 607 Q CB 1.701 30.428 28.738 -0.017 0.000 1.486 607 Q HN 0.066 nan 8.270 nan 0.000 0.422 608 Y N -2.317 117.992 120.300 0.016 0.000 2.713 608 Y HA 0.639 5.186 4.550 -0.006 0.000 0.335 608 Y C -1.534 174.413 175.900 0.078 0.000 1.222 608 Y CA -1.622 56.507 58.100 0.047 0.000 1.061 608 Y CB 1.197 39.694 38.460 0.062 0.000 1.314 608 Y HN 0.504 nan 8.280 nan 0.000 0.453 609 M N 3.002 122.762 119.600 0.267 0.000 2.157 609 M HA 0.329 4.806 4.480 -0.006 0.000 0.354 609 M C -1.127 175.371 176.300 0.329 0.000 1.170 609 M CA -0.655 54.778 55.300 0.221 0.000 1.060 609 M CB 1.224 33.952 32.600 0.214 0.000 1.615 609 M HN 0.732 nan 8.290 nan 0.000 0.460 610 L N 4.313 125.707 121.223 0.284 0.000 2.288 610 L HA 0.610 4.947 4.340 -0.006 0.000 0.283 610 L C 0.558 177.587 176.870 0.264 0.000 1.072 610 L CA 0.787 55.832 54.840 0.342 0.000 0.862 610 L CB -0.177 42.109 42.059 0.380 0.000 1.245 610 L HN 0.966 nan 8.230 nan 0.000 0.432 611 G N 3.868 112.750 108.800 0.137 0.000 2.698 611 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.233 611 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.233 611 G C 0.382 175.359 174.900 0.127 0.000 1.352 611 G CA 0.060 45.180 45.100 0.034 0.000 0.879 611 G HN 0.529 nan 8.290 nan 0.000 0.567 612 D N 0.410 120.880 120.400 0.116 0.000 2.123 612 D HA -0.055 4.581 4.640 -0.006 0.000 0.196 612 D C 2.100 178.482 176.300 0.137 0.000 0.992 612 D CA 1.802 55.860 54.000 0.095 0.000 0.833 612 D CB -0.004 40.842 40.800 0.077 0.000 0.954 612 D HN 0.385 nan 8.370 nan 0.000 0.455 613 N N -0.491 118.343 118.700 0.225 0.000 2.181 613 N HA 0.052 4.788 4.740 -0.006 0.000 0.207 613 N C -0.125 175.402 175.510 0.027 0.000 1.182 613 N CA 0.068 53.149 53.050 0.051 0.000 0.893 613 N CB 2.119 40.558 38.487 -0.081 0.000 1.032 613 N HN 0.116 nan 8.380 nan 0.000 0.513 614 V N -0.555 119.437 119.914 0.131 0.000 2.444 614 V HA 0.531 4.647 4.120 -0.006 0.000 0.294 614 V C -0.162 176.009 176.094 0.128 0.000 1.022 614 V CA -0.817 61.535 62.300 0.086 0.000 0.850 614 V CB 2.191 33.984 31.823 -0.048 0.000 0.992 614 V HN -0.112 nan 8.190 nan 0.000 0.426 615 M N 6.009 125.685 119.600 0.127 0.000 2.180 615 M HA 0.575 5.052 4.480 -0.006 0.000 0.358 615 M C -1.223 174.932 176.300 -0.241 0.000 1.233 615 M CA -0.051 55.204 55.300 -0.074 0.000 1.114 615 M CB 1.237 33.697 32.600 -0.234 0.000 1.594 615 M HN 0.696 nan 8.290 nan 0.000 0.467 616 V N 4.836 124.482 119.914 -0.447 0.000 2.487 616 V HA 0.689 4.806 4.120 -0.006 0.000 0.298 616 V C -0.202 175.548 176.094 -0.573 0.000 1.028 616 V CA -0.916 61.056 62.300 -0.546 0.000 0.860 616 V CB 1.394 32.806 31.823 -0.686 0.000 0.991 616 V HN 0.922 nan 8.190 nan 0.000 0.427 617 A N 6.925 129.503 122.820 -0.403 0.000 2.431 617 A HA 0.830 5.146 4.320 -0.006 0.000 0.318 617 A C -2.736 174.698 177.584 -0.250 0.000 1.330 617 A CA -1.675 50.201 52.037 -0.268 0.000 0.804 617 A CB 0.692 19.544 19.000 -0.247 0.000 1.135 617 A HN 0.608 nan 8.150 nan 0.000 0.483 618 P HA 0.168 nan 4.420 nan 0.000 0.268 618 P C -0.351 176.604 177.300 -0.575 0.000 1.208 618 P CA 0.028 62.829 63.100 -0.499 0.000 0.777 618 P CB 0.751 31.905 31.700 -0.909 0.000 0.875 619 V N 3.536 123.149 119.914 -0.501 0.000 2.350 619 V HA 0.201 4.318 4.120 -0.006 0.000 0.276 619 V C 0.282 176.088 176.094 -0.481 0.000 1.028 619 V CA 0.174 62.286 62.300 -0.314 0.000 0.860 619 V CB 0.064 31.813 31.823 -0.123 0.000 0.990 619 V HN 0.440 nan 8.190 nan 0.000 0.453 620 F N 2.677 122.484 119.950 -0.239 0.000 2.750 620 F HA 0.270 4.793 4.527 -0.006 0.000 0.297 620 F C 1.132 176.327 175.800 -1.008 0.000 1.138 620 F CA -0.250 57.426 58.000 -0.539 0.000 1.346 620 F CB 0.486 39.327 39.000 -0.265 0.000 0.965 620 F HN 0.565 nan 8.300 nan 0.000 0.514 621 T N -4.715 109.508 114.554 -0.553 0.000 2.896 621 T HA 0.302 4.648 4.350 -0.006 0.000 0.297 621 T C 0.751 175.418 174.700 -0.056 0.000 1.108 621 T CA -0.694 61.189 62.100 -0.363 0.000 1.004 621 T CB 2.395 71.201 68.868 -0.102 0.000 1.159 621 T HN 0.153 nan 8.240 nan 0.000 0.499 622 E N 1.162 121.427 120.200 0.109 0.000 2.017 622 E HA -0.111 4.235 4.350 -0.006 0.000 0.193 622 E C 2.338 178.962 176.600 0.040 0.000 0.997 622 E CA 1.435 57.895 56.400 0.101 0.000 0.804 622 E CB -0.552 28.998 29.700 -0.251 0.000 0.757 622 E HN 0.819 nan 8.360 nan 0.000 0.448 623 A N -0.138 122.676 122.820 -0.010 0.000 2.084 623 A HA -0.065 4.252 4.320 -0.006 0.000 0.221 623 A C 1.936 179.472 177.584 -0.080 0.000 1.161 623 A CA 1.794 53.809 52.037 -0.036 0.000 0.653 623 A CB -0.828 18.165 19.000 -0.013 0.000 0.802 623 A HN 0.654 nan 8.150 nan 0.000 0.457 624 G N -1.160 107.600 108.800 -0.066 0.000 2.159 624 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.227 624 G HA3 -0.184 3.772 3.960 -0.006 0.000 0.227 624 G C -0.347 174.577 174.900 0.040 0.000 0.986 624 G CA 0.118 45.191 45.100 -0.045 0.000 0.651 624 G HN 0.583 nan 8.290 nan 0.000 0.523 625 D N 0.055 120.474 120.400 0.032 0.000 2.424 625 D HA 0.407 5.043 4.640 -0.006 0.000 0.244 625 D C -0.050 176.316 176.300 0.109 0.000 1.134 625 D CA 0.742 54.784 54.000 0.070 0.000 0.881 625 D CB 2.490 43.315 40.800 0.042 0.000 1.191 625 D HN 0.425 nan 8.370 nan 0.000 0.445 626 V N 1.841 121.861 119.914 0.178 0.000 2.852 626 V HA 0.145 4.262 4.120 -0.006 0.000 0.300 626 V C -1.683 174.599 176.094 0.314 0.000 1.205 626 V CA -0.577 61.869 62.300 0.243 0.000 0.940 626 V CB 2.138 34.104 31.823 0.238 0.000 1.047 626 V HN 0.481 nan 8.190 nan 0.000 0.429 627 Q N 6.048 126.041 119.800 0.321 0.000 2.337 627 Q HA 0.784 5.120 4.340 -0.006 0.000 0.266 627 Q C -1.305 174.996 176.000 0.502 0.000 1.023 627 Q CA -0.474 55.535 55.803 0.342 0.000 0.829 627 Q CB 2.605 31.511 28.738 0.280 0.000 1.306 627 Q HN 0.742 nan 8.270 nan 0.000 0.449 628 F N -1.173 118.907 119.950 0.218 0.000 2.645 628 F HA 0.591 5.114 4.527 -0.006 0.000 0.310 628 F C -1.672 173.805 175.800 -0.537 0.000 1.102 628 F CA -1.489 56.407 58.000 -0.174 0.000 0.952 628 F CB 1.014 39.913 39.000 -0.168 0.000 1.326 628 F HN 0.488 nan 8.300 nan 0.000 0.456 629 Y N 2.517 122.210 120.300 -1.012 0.000 2.361 629 Y HA 0.760 5.306 4.550 -0.006 0.000 0.332 629 Y C -1.776 173.730 175.900 -0.657 0.000 1.101 629 Y CA -1.258 56.132 58.100 -1.184 0.000 1.137 629 Y CB 1.510 39.049 38.460 -1.536 0.000 1.207 629 Y HN 0.734 nan 8.280 nan 0.000 0.463 630 L N 8.585 128.920 121.223 -1.480 0.000 2.349 630 L HA 0.560 4.896 4.340 -0.006 0.000 0.278 630 L C -2.419 173.584 176.870 -1.445 0.000 0.996 630 L CA -2.862 51.186 54.840 -1.320 0.000 0.825 630 L CB 1.499 42.922 42.059 -1.060 0.000 1.243 630 L HN 0.591 nan 8.230 nan 0.000 0.412 631 P HA 0.042 nan 4.420 nan 0.000 0.271 631 P C -0.484 176.752 177.300 -0.107 0.000 1.244 631 P CA -0.447 62.375 63.100 -0.463 0.000 0.793 631 P CB 0.455 31.625 31.700 -0.883 0.000 0.984 632 E N 0.431 120.637 120.200 0.009 0.000 2.608 632 E HA 0.245 4.591 4.350 -0.006 0.000 0.259 632 E C 0.199 176.897 176.600 0.164 0.000 0.951 632 E CA 0.641 57.093 56.400 0.086 0.000 0.945 632 E CB -0.477 29.274 29.700 0.085 0.000 0.916 632 E HN 0.662 nan 8.360 nan 0.000 0.477 633 G N 3.273 112.153 108.800 0.134 0.000 2.361 633 G HA2 -0.052 3.904 3.960 -0.006 0.000 0.331 633 G HA3 -0.052 3.904 3.960 -0.006 0.000 0.331 633 G C -1.333 173.604 174.900 0.061 0.000 1.324 633 G CA -0.767 44.341 45.100 0.014 0.000 0.984 633 G HN 0.581 nan 8.290 nan 0.000 0.586 634 R N -0.156 120.296 120.500 -0.080 0.000 2.239 634 R HA 0.522 4.858 4.340 -0.006 0.000 0.332 634 R C -1.014 175.248 176.300 -0.063 0.000 0.988 634 R CA -0.666 55.439 56.100 0.009 0.000 0.859 634 R CB 0.504 30.811 30.300 0.012 0.000 1.148 634 R HN 0.449 nan 8.270 nan 0.000 0.482 635 W N 2.270 123.562 121.300 -0.013 0.000 2.496 635 W HA 0.350 5.007 4.660 -0.006 0.000 0.327 635 W C -0.141 176.491 176.519 0.189 0.000 1.086 635 W CA -0.290 57.076 57.345 0.035 0.000 1.222 635 W CB 2.162 31.579 29.460 -0.071 0.000 1.304 635 W HN 0.316 nan 8.180 nan 0.000 0.547 636 T N 2.460 117.263 114.554 0.414 0.000 2.812 636 T HA 0.078 4.424 4.350 -0.006 0.000 0.282 636 T C -0.622 174.168 174.700 0.149 0.000 0.990 636 T CA -0.600 61.716 62.100 0.361 0.000 0.960 636 T CB 0.676 69.808 68.868 0.441 0.000 0.948 636 T HN 0.263 nan 8.240 nan 0.000 0.438 637 H N 3.592 122.582 119.070 -0.133 0.000 3.004 637 H HA 0.052 4.604 4.556 -0.006 0.000 0.316 637 H C 1.019 176.152 175.328 -0.325 0.000 1.014 637 H CA -0.446 55.202 56.048 -0.667 0.000 1.454 637 H CB 0.721 30.046 29.762 -0.730 0.000 1.472 637 H HN 0.507 nan 8.280 nan 0.000 0.571 638 L N 6.091 126.962 121.223 -0.587 0.000 2.103 638 L HA -0.227 4.110 4.340 -0.006 0.000 0.215 638 L C 1.634 178.635 176.870 0.219 0.000 1.080 638 L CA 2.465 57.226 54.840 -0.132 0.000 0.764 638 L CB -0.458 41.537 42.059 -0.108 0.000 0.890 638 L HN 0.860 nan 8.230 nan 0.000 0.435 639 W N -5.366 116.039 121.300 0.175 0.000 2.520 639 W HA 0.269 4.926 4.660 -0.006 0.000 0.272 639 W C 1.844 178.411 176.519 0.080 0.000 0.984 639 W CA -0.087 57.317 57.345 0.098 0.000 1.314 639 W CB -0.656 28.819 29.460 0.025 0.000 0.945 639 W HN -0.077 nan 8.180 nan 0.000 0.596 640 H N 1.065 120.047 119.070 -0.147 0.000 2.470 640 H HA 0.043 4.596 4.556 -0.006 0.000 0.289 640 H C 0.794 176.106 175.328 -0.026 0.000 1.033 640 H CA 1.338 57.252 56.048 -0.224 0.000 1.331 640 H CB -0.236 29.138 29.762 -0.647 0.000 1.414 640 H HN 0.180 nan 8.280 nan 0.000 0.545 641 N N 0.824 119.625 118.700 0.168 0.000 2.936 641 N HA -0.165 4.571 4.740 -0.006 0.000 0.236 641 N C -0.509 175.104 175.510 0.172 0.000 0.930 641 N CA 1.123 54.282 53.050 0.182 0.000 0.966 641 N CB -1.078 37.503 38.487 0.156 0.000 1.090 641 N HN 0.683 nan 8.380 nan 0.000 0.592 642 D N 0.361 120.857 120.400 0.160 0.000 2.382 642 D HA 0.116 4.753 4.640 -0.006 0.000 0.240 642 D C -0.121 176.341 176.300 0.270 0.000 1.146 642 D CA 0.443 54.544 54.000 0.168 0.000 0.897 642 D CB 0.951 41.822 40.800 0.119 0.000 1.197 642 D HN 0.288 nan 8.370 nan 0.000 0.432 643 E N 0.338 120.666 120.200 0.213 0.000 2.227 643 E HA 0.600 4.947 4.350 -0.006 0.000 0.268 643 E C -0.765 175.915 176.600 0.134 0.000 0.907 643 E CA -0.860 55.669 56.400 0.215 0.000 0.786 643 E CB 2.229 32.021 29.700 0.153 0.000 1.191 643 E HN 0.365 nan 8.360 nan 0.000 0.411 644 L N 1.831 123.109 121.223 0.092 0.000 2.422 644 L HA 0.404 4.741 4.340 -0.006 0.000 0.264 644 L C -1.034 175.849 176.870 0.023 0.000 0.984 644 L CA -1.042 53.747 54.840 -0.086 0.000 0.819 644 L CB 2.158 43.909 42.059 -0.512 0.000 1.330 644 L HN 0.410 nan 8.230 nan 0.000 0.410 645 D N 1.616 122.042 120.400 0.043 0.000 2.264 645 D HA 0.371 5.008 4.640 -0.006 0.000 0.250 645 D C 0.250 176.614 176.300 0.106 0.000 1.113 645 D CA 0.107 54.166 54.000 0.098 0.000 0.871 645 D CB 2.277 43.124 40.800 0.079 0.000 1.167 645 D HN 0.659 nan 8.370 nan 0.000 0.447 646 G N -0.250 108.614 108.800 0.107 0.000 2.508 646 G HA2 0.298 4.255 3.960 -0.006 0.000 0.278 646 G HA3 0.298 4.255 3.960 -0.006 0.000 0.278 646 G C 0.482 175.311 174.900 -0.117 0.000 1.389 646 G CA 0.038 45.119 45.100 -0.032 0.000 1.050 646 G HN 0.507 nan 8.290 nan 0.000 0.522 647 S N -2.405 113.134 115.700 -0.268 0.000 3.482 647 S HA -0.185 4.281 4.470 -0.006 0.000 0.294 647 S C 0.424 174.964 174.600 -0.100 0.000 1.244 647 S CA 1.907 60.036 58.200 -0.119 0.000 0.911 647 S CB -1.203 62.005 63.200 0.014 0.000 1.070 647 S HN 1.277 nan 8.310 nan 0.000 0.614 648 R N -1.728 118.543 120.500 -0.382 0.000 2.716 648 R HA 0.651 4.987 4.340 -0.006 0.000 0.271 648 R C -1.141 174.906 176.300 -0.421 0.000 1.028 648 R CA -1.178 54.798 56.100 -0.207 0.000 0.883 648 R CB 0.069 30.242 30.300 -0.211 0.000 1.250 648 R HN 0.138 nan 8.270 nan 0.000 0.465 649 W N 1.108 122.235 121.300 -0.288 0.000 2.184 649 W HA 0.364 5.020 4.660 -0.006 0.000 0.338 649 W C 0.364 176.421 176.519 -0.770 0.000 1.257 649 W CA 0.632 57.758 57.345 -0.366 0.000 1.243 649 W CB 0.695 30.047 29.460 -0.179 0.000 1.122 649 W HN 0.297 nan 8.180 nan 0.000 0.585 650 H N 1.612 120.419 119.070 -0.439 0.000 2.768 650 H HA 0.293 4.846 4.556 -0.006 0.000 0.371 650 H C -0.902 174.148 175.328 -0.463 0.000 1.151 650 H CA -1.104 54.609 56.048 -0.557 0.000 1.165 650 H CB 2.435 31.655 29.762 -0.903 0.000 1.722 650 H HN 0.214 nan 8.280 nan 0.000 0.543 651 K N 2.835 123.182 120.400 -0.088 0.000 2.450 651 K HA 0.315 4.631 4.320 -0.006 0.000 0.257 651 K C -1.007 175.654 176.600 0.101 0.000 0.953 651 K CA -0.360 55.941 56.287 0.023 0.000 0.844 651 K CB 1.449 33.956 32.500 0.012 0.000 1.103 651 K HN 0.683 nan 8.250 nan 0.000 0.429 652 Q N 1.937 121.871 119.800 0.223 0.000 2.572 652 Q HA 0.323 4.660 4.340 -0.006 0.000 0.284 652 Q C -1.289 174.800 176.000 0.149 0.000 1.091 652 Q CA -1.009 54.919 55.803 0.209 0.000 0.840 652 Q CB 2.615 31.604 28.738 0.418 0.000 1.433 652 Q HN 0.561 nan 8.270 nan 0.000 0.471 653 Q N 0.530 120.319 119.800 -0.017 0.000 2.285 653 Q HA 0.331 4.667 4.340 -0.006 0.000 0.269 653 Q C -1.795 174.061 176.000 -0.240 0.000 1.030 653 Q CA -0.332 55.449 55.803 -0.035 0.000 0.788 653 Q CB 1.478 30.181 28.738 -0.057 0.000 1.266 653 Q HN 0.598 nan 8.270 nan 0.000 0.438 654 H N 1.712 120.764 119.070 -0.031 0.000 2.600 654 H HA 0.412 4.964 4.556 -0.006 0.000 0.357 654 H C -0.110 175.146 175.328 -0.120 0.000 1.106 654 H CA -0.574 55.453 56.048 -0.035 0.000 1.193 654 H CB 2.113 31.897 29.762 0.036 0.000 1.594 654 H HN 0.863 nan 8.280 nan 0.000 0.526 655 G N 0.451 109.250 108.800 -0.002 0.000 2.621 655 G HA2 0.116 4.073 3.960 -0.006 0.000 0.271 655 G HA3 0.116 4.073 3.960 -0.006 0.000 0.271 655 G C 0.240 175.119 174.900 -0.035 0.000 1.236 655 G CA -0.403 44.628 45.100 -0.115 0.000 0.958 655 G HN 0.487 nan 8.290 nan 0.000 0.512 656 F N -1.078 118.989 119.950 0.194 0.000 2.641 656 F HA 0.072 4.595 4.527 -0.006 0.000 0.298 656 F C 2.017 177.989 175.800 0.288 0.000 1.146 656 F CA 0.265 58.405 58.000 0.233 0.000 1.464 656 F CB 0.063 39.193 39.000 0.215 0.000 1.101 656 F HN 0.062 nan 8.300 nan 0.000 0.585 657 L N -1.502 119.903 121.223 0.303 0.000 2.700 657 L HA 0.240 4.577 4.340 -0.006 0.000 0.234 657 L C 0.529 177.566 176.870 0.278 0.000 1.156 657 L CA 0.087 54.962 54.840 0.059 0.000 0.946 657 L CB -0.464 41.384 42.059 -0.351 0.000 1.216 657 L HN -0.046 nan 8.230 nan 0.000 0.493 658 S N -0.222 115.813 115.700 0.559 0.000 2.618 658 S HA 0.911 5.377 4.470 -0.006 0.000 0.277 658 S C -1.293 173.572 174.600 0.442 0.000 1.138 658 S CA -0.570 58.056 58.200 0.709 0.000 0.844 658 S CB 1.335 64.963 63.200 0.713 0.000 1.127 658 S HN 0.119 nan 8.310 nan 0.000 0.474 659 L N -0.785 120.533 121.223 0.159 0.000 2.947 659 L HA 0.669 5.005 4.340 -0.006 0.000 0.267 659 L C -3.168 173.417 176.870 -0.474 0.000 1.004 659 L CA -2.169 52.416 54.840 -0.424 0.000 0.937 659 L CB 1.475 43.453 42.059 -0.134 0.000 1.496 659 L HN 0.351 nan 8.230 nan 0.000 0.409 660 P HA 0.153 nan 4.420 nan 0.000 0.259 660 P C -0.856 176.183 177.300 -0.435 0.000 1.211 660 P CA 0.198 63.043 63.100 -0.426 0.000 0.810 660 P CB 0.580 31.725 31.700 -0.924 0.000 0.815 661 V N 5.994 125.481 119.914 -0.712 0.000 2.327 661 V HA 0.276 4.393 4.120 -0.006 0.000 0.272 661 V C -0.639 174.893 176.094 -0.937 0.000 1.019 661 V CA -0.552 61.338 62.300 -0.683 0.000 0.814 661 V CB -0.016 31.518 31.823 -0.481 0.000 1.040 661 V HN 0.372 nan 8.190 nan 0.000 0.440 662 Y N 2.276 122.344 120.300 -0.388 0.000 2.360 662 Y HA 0.626 5.172 4.550 -0.006 0.000 0.337 662 Y C 0.242 176.165 175.900 0.040 0.000 1.039 662 Y CA -0.847 57.160 58.100 -0.155 0.000 1.109 662 Y CB 2.135 40.564 38.460 -0.050 0.000 1.201 662 Y HN 0.347 nan 8.280 nan 0.000 0.458 663 V N 4.829 124.740 119.914 -0.005 0.000 2.394 663 V HA 0.410 4.527 4.120 -0.006 0.000 0.282 663 V C -0.047 175.815 176.094 -0.386 0.000 1.031 663 V CA -1.220 60.869 62.300 -0.352 0.000 0.881 663 V CB 0.896 32.014 31.823 -1.175 0.000 0.982 663 V HN 0.762 nan 8.190 nan 0.000 0.451 664 R N 2.668 122.729 120.500 -0.732 0.000 2.801 664 R HA 0.366 4.702 4.340 -0.006 0.000 0.273 664 R C -0.289 175.601 176.300 -0.684 0.000 1.080 664 R CA -0.672 54.600 56.100 -1.380 0.000 1.197 664 R CB 0.078 29.623 30.300 -1.259 0.000 1.109 664 R HN 0.750 nan 8.270 nan 0.000 0.535 665 D N -0.449 119.584 120.400 -0.611 0.000 2.383 665 D HA 0.048 4.685 4.640 -0.006 0.000 0.248 665 D C -0.333 175.835 176.300 -0.220 0.000 1.170 665 D CA -0.664 53.157 54.000 -0.298 0.000 0.977 665 D CB 0.134 40.778 40.800 -0.259 0.000 1.120 665 D HN 0.634 nan 8.370 nan 0.000 0.481 666 N N -1.331 117.292 118.700 -0.129 0.000 2.740 666 N HA -0.150 4.587 4.740 -0.006 0.000 0.248 666 N C -0.970 174.516 175.510 -0.039 0.000 1.062 666 N CA 0.893 53.885 53.050 -0.096 0.000 0.704 666 N CB -1.765 36.604 38.487 -0.197 0.000 0.968 666 N HN 0.547 nan 8.380 nan 0.000 0.547 667 T N 1.013 115.580 114.554 0.022 0.000 2.809 667 T HA 0.492 4.838 4.350 -0.006 0.000 0.284 667 T C 0.002 174.820 174.700 0.197 0.000 0.992 667 T CA -0.531 61.604 62.100 0.059 0.000 0.957 667 T CB 2.100 70.940 68.868 -0.047 0.000 0.942 667 T HN 0.149 nan 8.240 nan 0.000 0.439 668 L N 4.839 126.152 121.223 0.151 0.000 2.276 668 L HA 0.641 4.977 4.340 -0.006 0.000 0.286 668 L C -1.197 175.814 176.870 0.236 0.000 1.024 668 L CA -0.631 54.331 54.840 0.203 0.000 0.826 668 L CB 0.662 42.792 42.059 0.118 0.000 1.211 668 L HN 0.524 nan 8.230 nan 0.000 0.422 669 L N 4.618 126.026 121.223 0.308 0.000 2.317 669 L HA 0.813 5.149 4.340 -0.006 0.000 0.281 669 L C -0.149 176.878 176.870 0.262 0.000 1.024 669 L CA -0.098 54.866 54.840 0.206 0.000 0.810 669 L CB 1.749 43.902 42.059 0.156 0.000 1.240 669 L HN 0.717 nan 8.230 nan 0.000 0.427 670 A N 5.260 128.170 122.820 0.150 0.000 2.249 670 A HA 0.690 5.007 4.320 -0.006 0.000 0.314 670 A C -1.038 176.527 177.584 -0.032 0.000 1.290 670 A CA -0.422 51.587 52.037 -0.046 0.000 0.893 670 A CB 0.186 19.099 19.000 -0.146 0.000 1.165 670 A HN 0.533 nan 8.150 nan 0.000 0.530 671 L N 2.105 123.315 121.223 -0.022 0.000 2.344 671 L HA 0.720 5.057 4.340 -0.006 0.000 0.272 671 L C 0.996 177.886 176.870 0.033 0.000 1.035 671 L CA 0.326 55.169 54.840 0.005 0.000 0.807 671 L CB 1.806 43.860 42.059 -0.008 0.000 1.237 671 L HN 0.766 nan 8.230 nan 0.000 0.442 672 G N -0.047 108.835 108.800 0.136 0.000 2.552 672 G HA2 0.339 4.295 3.960 -0.006 0.000 0.324 672 G HA3 0.339 4.295 3.960 -0.006 0.000 0.324 672 G C 0.111 175.126 174.900 0.192 0.000 1.217 672 G CA -0.440 44.835 45.100 0.292 0.000 0.989 672 G HN 0.681 nan 8.290 nan 0.000 0.490 673 N N -0.507 118.281 118.700 0.147 0.000 2.235 673 N HA 0.030 4.767 4.740 -0.006 0.000 0.209 673 N C -0.329 175.046 175.510 -0.226 0.000 1.122 673 N CA -0.373 52.660 53.050 -0.028 0.000 0.845 673 N CB 0.406 38.896 38.487 0.004 0.000 1.004 673 N HN 0.281 nan 8.380 nan 0.000 0.499 674 N N 1.281 119.661 118.700 -0.534 0.000 2.399 674 N HA 0.091 4.828 4.740 -0.006 0.000 0.280 674 N C -0.989 174.284 175.510 -0.396 0.000 1.008 674 N CA -0.275 52.363 53.050 -0.687 0.000 0.894 674 N CB 1.500 39.098 38.487 -1.482 0.000 1.273 674 N HN 0.178 nan 8.380 nan 0.000 0.486 675 D N 1.804 122.085 120.400 -0.198 0.000 2.463 675 D HA 0.085 4.722 4.640 -0.006 0.000 0.224 675 D C 0.246 176.531 176.300 -0.026 0.000 1.174 675 D CA 0.228 54.174 54.000 -0.090 0.000 0.829 675 D CB 0.550 41.291 40.800 -0.098 0.000 0.993 675 D HN 0.305 nan 8.370 nan 0.000 0.497 676 Q N 0.312 120.095 119.800 -0.028 0.000 2.353 676 Q HA 0.195 4.532 4.340 -0.006 0.000 0.240 676 Q C 0.563 176.698 176.000 0.225 0.000 0.868 676 Q CA 0.458 56.301 55.803 0.066 0.000 0.944 676 Q CB 1.501 30.245 28.738 0.009 0.000 1.104 676 Q HN 0.533 nan 8.270 nan 0.000 0.531 677 R N -0.679 119.897 120.500 0.127 0.000 2.739 677 R HA 0.416 4.753 4.340 -0.006 0.000 0.271 677 R C -2.559 173.828 176.300 0.145 0.000 1.010 677 R CA -1.398 54.753 56.100 0.084 0.000 0.897 677 R CB 1.264 31.635 30.300 0.118 0.000 1.236 677 R HN -0.305 nan 8.270 nan 0.000 0.466 678 P HA -0.017 nan 4.420 nan 0.000 0.226 678 P C -0.713 176.782 177.300 0.325 0.000 1.161 678 P CA 0.835 64.064 63.100 0.215 0.000 0.804 678 P CB 0.084 31.846 31.700 0.103 0.000 0.829 679 D N 0.847 121.362 120.400 0.192 0.000 2.412 679 D HA 0.246 4.883 4.640 -0.006 0.000 0.224 679 D C -0.153 176.109 176.300 -0.064 0.000 1.093 679 D CA -0.816 53.170 54.000 -0.023 0.000 0.850 679 D CB 0.325 41.125 40.800 0.001 0.000 1.046 679 D HN 0.261 nan 8.370 nan 0.000 0.507 680 Y N -1.665 118.312 120.300 -0.538 0.000 2.764 680 Y HA 0.483 5.029 4.550 -0.006 0.000 0.331 680 Y C -1.226 174.205 175.900 -0.782 0.000 1.280 680 Y CA -1.616 56.198 58.100 -0.477 0.000 1.065 680 Y CB 0.621 38.959 38.460 -0.205 0.000 1.319 680 Y HN -0.050 nan 8.280 nan 0.000 0.453 681 V N 2.856 122.605 119.914 -0.275 0.000 2.287 681 V HA -0.051 4.066 4.120 -0.006 0.000 0.246 681 V C 0.292 176.218 176.094 -0.281 0.000 1.165 681 V CA -0.350 61.708 62.300 -0.404 0.000 1.088 681 V CB -0.919 30.707 31.823 -0.329 0.000 1.242 681 V HN 0.827 nan 8.190 nan 0.000 0.497 682 W N 3.143 124.279 121.300 -0.274 0.000 2.374 682 W HA -0.120 4.536 4.660 -0.006 0.000 0.288 682 W C 2.197 178.665 176.519 -0.084 0.000 1.218 682 W CA 1.576 58.777 57.345 -0.240 0.000 1.245 682 W CB -0.643 28.661 29.460 -0.260 0.000 1.126 682 W HN 0.856 nan 8.180 nan 0.000 0.545 683 H N -0.721 118.440 119.070 0.151 0.000 2.543 683 H HA 0.254 4.807 4.556 -0.006 0.000 0.269 683 H C -0.634 174.725 175.328 0.052 0.000 1.005 683 H CA 0.490 56.590 56.048 0.087 0.000 1.146 683 H CB -0.377 29.436 29.762 0.086 0.000 1.353 683 H HN 0.120 nan 8.280 nan 0.000 0.595 684 E N 0.282 120.406 120.200 -0.128 0.000 2.185 684 E HA 0.397 4.743 4.350 -0.006 0.000 0.261 684 E C 0.058 176.678 176.600 0.034 0.000 0.879 684 E CA -0.371 56.000 56.400 -0.049 0.000 0.756 684 E CB 1.851 31.469 29.700 -0.137 0.000 1.152 684 E HN 0.452 nan 8.360 nan 0.000 0.416 685 G N 2.910 111.756 108.800 0.076 0.000 2.175 685 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.244 685 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.244 685 G C 0.454 175.411 174.900 0.095 0.000 0.982 685 G CA 0.028 45.175 45.100 0.079 0.000 0.641 685 G HN 0.504 nan 8.290 nan 0.000 0.527 686 T N 1.490 116.093 114.554 0.082 0.000 2.709 686 T HA 0.370 4.717 4.350 -0.006 0.000 0.269 686 T C 0.739 175.408 174.700 -0.053 0.000 1.008 686 T CA 0.844 62.900 62.100 -0.073 0.000 1.194 686 T CB 1.122 69.806 68.868 -0.306 0.000 0.986 686 T HN 1.542 nan 8.240 nan 0.000 0.508 687 A N 4.734 127.531 122.820 -0.038 0.000 2.366 687 A HA 0.583 4.900 4.320 -0.006 0.000 0.322 687 A C -0.027 177.611 177.584 0.090 0.000 1.397 687 A CA -0.724 51.364 52.037 0.086 0.000 0.984 687 A CB -0.336 18.786 19.000 0.203 0.000 1.149 687 A HN 0.698 nan 8.150 nan 0.000 0.540 688 F N 1.811 121.890 119.950 0.215 0.000 2.418 688 F HA 0.317 4.840 4.527 -0.006 0.000 0.341 688 F C 1.121 176.963 175.800 0.070 0.000 1.120 688 F CA 0.777 58.897 58.000 0.199 0.000 1.232 688 F CB 0.813 39.895 39.000 0.136 0.000 1.175 688 F HN 0.504 nan 8.300 nan 0.000 0.569 689 H N 3.181 122.393 119.070 0.236 0.000 2.782 689 H HA 0.378 4.930 4.556 -0.006 0.000 0.347 689 H C -1.395 173.906 175.328 -0.045 0.000 1.038 689 H CA -0.929 55.126 56.048 0.011 0.000 1.255 689 H CB 2.469 32.192 29.762 -0.065 0.000 1.623 689 H HN 0.400 nan 8.280 nan 0.000 0.525 690 L N 3.802 124.958 121.223 -0.111 0.000 2.307 690 L HA 0.430 4.766 4.340 -0.006 0.000 0.284 690 L C -1.515 175.213 176.870 -0.237 0.000 1.023 690 L CA -0.292 54.521 54.840 -0.046 0.000 0.810 690 L CB 0.508 42.563 42.059 -0.006 0.000 1.231 690 L HN 0.365 nan 8.230 nan 0.000 0.423 691 F N 3.482 123.447 119.950 0.026 0.000 2.449 691 F HA 0.390 4.914 4.527 -0.006 0.000 0.342 691 F C 0.743 176.521 175.800 -0.037 0.000 1.127 691 F CA -0.815 57.184 58.000 -0.001 0.000 0.975 691 F CB 1.025 40.005 39.000 -0.033 0.000 1.146 691 F HN 0.590 nan 8.300 nan 0.000 0.444 692 N N 2.833 121.600 118.700 0.112 0.000 2.726 692 N HA -0.241 4.495 4.740 -0.006 0.000 0.287 692 N C -0.822 174.693 175.510 0.008 0.000 1.052 692 N CA -0.018 53.058 53.050 0.044 0.000 0.805 692 N CB -0.413 38.091 38.487 0.028 0.000 0.944 692 N HN 0.488 nan 8.380 nan 0.000 0.574 693 L N 1.296 122.530 121.223 0.018 0.000 2.418 693 L HA 0.065 4.402 4.340 -0.006 0.000 0.274 693 L C 0.724 177.608 176.870 0.023 0.000 1.135 693 L CA 0.139 54.988 54.840 0.016 0.000 0.870 693 L CB 0.532 42.610 42.059 0.031 0.000 1.154 693 L HN 0.421 nan 8.230 nan 0.000 0.462 694 Q N 2.293 122.108 119.800 0.024 0.000 2.260 694 Q HA 0.089 4.425 4.340 -0.006 0.000 0.242 694 Q C -0.566 175.525 176.000 0.152 0.000 0.932 694 Q CA -0.647 55.205 55.803 0.082 0.000 0.891 694 Q CB 1.385 30.173 28.738 0.084 0.000 1.222 694 Q HN 0.488 nan 8.270 nan 0.000 0.453 695 D N 0.353 120.819 120.400 0.109 0.000 2.479 695 D HA 0.109 4.745 4.640 -0.006 0.000 0.257 695 D C 0.632 176.972 176.300 0.067 0.000 1.230 695 D CA 1.804 55.848 54.000 0.074 0.000 0.912 695 D CB -0.161 40.668 40.800 0.049 0.000 1.130 695 D HN 0.698 nan 8.370 nan 0.000 0.515 696 G N 3.135 111.946 108.800 0.019 0.000 2.159 696 G HA2 -0.197 3.760 3.960 -0.006 0.000 0.227 696 G HA3 -0.197 3.760 3.960 -0.006 0.000 0.227 696 G C 0.093 174.872 174.900 -0.201 0.000 0.986 696 G CA -0.159 44.892 45.100 -0.082 0.000 0.651 696 G HN 0.679 nan 8.290 nan 0.000 0.523 697 H N 0.033 119.100 119.070 -0.005 0.000 2.670 697 H HA 0.656 5.208 4.556 -0.006 0.000 0.361 697 H C -0.660 174.662 175.328 -0.010 0.000 1.169 697 H CA -0.346 55.698 56.048 -0.008 0.000 1.198 697 H CB 2.126 31.883 29.762 -0.007 0.000 1.700 697 H HN 0.346 nan 8.280 nan 0.000 0.542 698 E N 0.996 121.273 120.200 0.129 0.000 2.224 698 E HA 0.548 4.894 4.350 -0.006 0.000 0.265 698 E C -1.605 175.027 176.600 0.054 0.000 0.878 698 E CA -0.968 55.468 56.400 0.058 0.000 0.759 698 E CB 1.647 31.357 29.700 0.016 0.000 1.164 698 E HN 0.688 nan 8.360 nan 0.000 0.414 699 A N 3.804 126.642 122.820 0.031 0.000 2.288 699 A HA 0.576 4.892 4.320 -0.006 0.000 0.320 699 A C -0.872 176.710 177.584 -0.003 0.000 1.217 699 A CA -0.581 51.469 52.037 0.021 0.000 0.840 699 A CB 1.169 20.189 19.000 0.033 0.000 1.179 699 A HN 0.356 nan 8.150 nan 0.000 0.504 700 V N 1.606 121.517 119.914 -0.004 0.000 2.495 700 V HA 0.497 4.613 4.120 -0.006 0.000 0.298 700 V C -0.227 175.868 176.094 0.002 0.000 1.031 700 V CA -0.667 61.614 62.300 -0.030 0.000 0.871 700 V CB 1.268 33.069 31.823 -0.037 0.000 0.988 700 V HN 1.033 nan 8.190 nan 0.000 0.432 701 C N 4.759 124.052 119.300 -0.011 0.000 2.369 701 C HA 0.660 5.116 4.460 -0.006 0.000 0.322 701 C C -0.237 174.783 174.990 0.049 0.000 1.258 701 C CA -0.309 58.756 59.018 0.078 0.000 1.487 701 C CB 0.391 28.251 27.740 0.200 0.000 2.165 701 C HN 1.009 nan 8.230 nan 0.000 0.483 702 E N 3.994 124.239 120.200 0.074 0.000 2.145 702 E HA 0.466 4.812 4.350 -0.006 0.000 0.270 702 E C -0.941 175.731 176.600 0.120 0.000 0.906 702 E CA -0.445 55.988 56.400 0.055 0.000 0.761 702 E CB 1.969 31.676 29.700 0.012 0.000 1.116 702 E HN 0.605 nan 8.360 nan 0.000 0.408 703 V N 5.588 125.616 119.914 0.191 0.000 2.432 703 V HA 0.302 4.419 4.120 -0.006 0.000 0.275 703 V C -1.997 174.219 176.094 0.204 0.000 1.043 703 V CA -1.693 60.742 62.300 0.226 0.000 0.925 703 V CB 0.857 32.901 31.823 0.368 0.000 0.985 703 V HN 0.588 nan 8.190 nan 0.000 0.466 704 P HA 0.499 nan 4.420 nan 0.000 0.287 704 P C -0.581 176.955 177.300 0.394 0.000 1.270 704 P CA -0.454 62.799 63.100 0.254 0.000 0.844 704 P CB 1.740 33.589 31.700 0.248 0.000 1.068 705 A N 2.048 125.037 122.820 0.282 0.000 2.280 705 A HA 0.499 4.816 4.320 -0.006 0.000 0.268 705 A C 1.765 179.520 177.584 0.285 0.000 1.111 705 A CA 0.231 52.407 52.037 0.231 0.000 0.814 705 A CB -0.607 18.457 19.000 0.107 0.000 1.093 705 A HN 0.538 nan 8.150 nan 0.000 0.498 706 A N 0.152 123.013 122.820 0.068 0.000 1.948 706 A HA -0.182 4.134 4.320 -0.006 0.000 0.220 706 A C 1.352 179.055 177.584 0.199 0.000 1.177 706 A CA 2.225 54.244 52.037 -0.030 0.000 0.636 706 A CB -0.755 18.151 19.000 -0.155 0.000 0.815 706 A HN 0.904 nan 8.150 nan 0.000 0.449 707 D N -1.924 118.595 120.400 0.198 0.000 2.324 707 D HA 0.272 4.909 4.640 -0.006 0.000 0.235 707 D C 1.163 177.609 176.300 0.245 0.000 1.095 707 D CA 0.868 54.995 54.000 0.213 0.000 0.871 707 D CB -0.789 40.083 40.800 0.120 0.000 0.906 707 D HN 0.779 nan 8.370 nan 0.000 0.522 708 G N 0.288 109.313 108.800 0.375 0.000 2.212 708 G HA2 -0.341 3.616 3.960 -0.006 0.000 0.266 708 G HA3 -0.341 3.616 3.960 -0.006 0.000 0.266 708 G C 0.521 175.495 174.900 0.122 0.000 0.978 708 G CA 0.717 45.952 45.100 0.225 0.000 0.632 708 G HN 0.896 nan 8.290 nan 0.000 0.537 709 S N -0.682 115.088 115.700 0.117 0.000 2.589 709 S HA 0.552 5.019 4.470 -0.006 0.000 0.265 709 S C 0.460 175.108 174.600 0.081 0.000 1.342 709 S CA -0.046 58.198 58.200 0.073 0.000 1.005 709 S CB 1.952 65.186 63.200 0.058 0.000 0.909 709 S HN 1.061 nan 8.310 nan 0.000 0.555 710 V N 3.204 123.148 119.914 0.050 0.000 2.427 710 V HA 0.207 4.324 4.120 -0.006 0.000 0.268 710 V C 1.095 177.219 176.094 0.049 0.000 1.046 710 V CA -0.104 62.227 62.300 0.051 0.000 0.970 710 V CB 0.391 32.224 31.823 0.018 0.000 1.001 710 V HN 0.961 nan 8.190 nan 0.000 0.476 711 I N 4.500 125.115 120.570 0.074 0.000 2.628 711 I HA 0.251 4.418 4.170 -0.006 0.000 0.255 711 I C 0.284 176.476 176.117 0.125 0.000 1.119 711 I CA 0.836 62.158 61.300 0.037 0.000 1.448 711 I CB 0.456 38.400 38.000 -0.094 0.000 1.133 711 I HN 0.531 nan 8.210 nan 0.000 0.438 712 F N 0.420 120.364 119.950 -0.011 0.000 2.561 712 F HA 0.473 4.996 4.527 -0.006 0.000 0.313 712 F C -0.766 175.024 175.800 -0.016 0.000 1.126 712 F CA -0.585 57.409 58.000 -0.010 0.000 0.918 712 F CB 1.526 40.542 39.000 0.027 0.000 1.199 712 F HN -0.329 nan 8.300 nan 0.000 0.444 713 T N 6.996 121.138 114.554 -0.685 0.000 2.824 713 T HA 0.588 4.934 4.350 -0.006 0.000 0.280 713 T C -1.202 172.858 174.700 -1.067 0.000 0.995 713 T CA -0.538 61.186 62.100 -0.627 0.000 1.009 713 T CB 1.450 70.113 68.868 -0.342 0.000 0.955 713 T HN 0.648 nan 8.240 nan 0.000 0.452 714 L N 3.038 123.816 121.223 -0.742 0.000 2.409 714 L HA 0.604 4.941 4.340 -0.006 0.000 0.272 714 L C -1.050 175.594 176.870 -0.378 0.000 0.980 714 L CA -0.734 53.681 54.840 -0.709 0.000 0.826 714 L CB 1.444 42.916 42.059 -0.978 0.000 1.268 714 L HN 0.529 nan 8.230 nan 0.000 0.407 715 K N 3.895 124.130 120.400 -0.276 0.000 2.324 715 K HA 0.769 5.085 4.320 -0.006 0.000 0.253 715 K C -1.058 175.481 176.600 -0.102 0.000 0.932 715 K CA -0.613 55.583 56.287 -0.152 0.000 0.799 715 K CB 2.311 34.741 32.500 -0.116 0.000 1.154 715 K HN 0.568 nan 8.250 nan 0.000 0.425 716 A N 1.812 124.597 122.820 -0.058 0.000 2.285 716 A HA 0.689 5.005 4.320 -0.006 0.000 0.310 716 A C -0.887 176.696 177.584 -0.002 0.000 1.266 716 A CA -0.620 51.404 52.037 -0.021 0.000 0.832 716 A CB 0.921 19.918 19.000 -0.005 0.000 1.163 716 A HN 0.703 nan 8.150 nan 0.000 0.499 717 A N 2.775 125.595 122.820 -0.001 0.000 2.304 717 A HA 0.731 5.048 4.320 -0.006 0.000 0.323 717 A C 0.153 177.745 177.584 0.015 0.000 1.195 717 A CA -0.651 51.391 52.037 0.008 0.000 0.826 717 A CB 0.546 19.544 19.000 -0.005 0.000 1.184 717 A HN 0.863 nan 8.150 nan 0.000 0.496 718 R N 2.161 122.677 120.500 0.027 0.000 2.265 718 R HA 0.407 4.744 4.340 -0.006 0.000 0.328 718 R C 0.426 176.737 176.300 0.018 0.000 0.969 718 R CA 0.191 56.307 56.100 0.027 0.000 0.832 718 R CB 1.198 31.524 30.300 0.042 0.000 1.139 718 R HN 0.794 nan 8.270 nan 0.000 0.457 719 T N 1.164 115.723 114.554 0.010 0.000 3.004 719 T HA 0.265 4.611 4.350 -0.006 0.000 0.243 719 T C 0.817 175.519 174.700 0.004 0.000 1.020 719 T CA 1.150 63.251 62.100 0.002 0.000 1.145 719 T CB 0.230 69.097 68.868 -0.002 0.000 0.876 719 T HN 0.696 nan 8.240 nan 0.000 0.449 720 G N 0.296 109.101 108.800 0.008 0.000 2.543 720 G HA2 0.224 4.181 3.960 -0.006 0.000 0.202 720 G HA3 0.224 4.181 3.960 -0.006 0.000 0.202 720 G C 0.546 175.454 174.900 0.013 0.000 1.897 720 G CA -0.102 45.003 45.100 0.009 0.000 0.726 720 G HN 0.309 nan 8.290 nan 0.000 0.804 721 N N 0.751 119.458 118.700 0.012 0.000 2.238 721 N HA 0.252 4.988 4.740 -0.006 0.000 0.222 721 N C -0.729 174.788 175.510 0.012 0.000 1.133 721 N CA 0.008 53.066 53.050 0.013 0.000 0.854 721 N CB 0.793 39.287 38.487 0.011 0.000 1.041 721 N HN 0.152 nan 8.380 nan 0.000 0.510 722 T N 1.742 116.303 114.554 0.011 0.000 2.801 722 T HA 0.380 4.727 4.350 -0.006 0.000 0.306 722 T C 0.443 175.151 174.700 0.012 0.000 1.020 722 T CA -0.584 61.522 62.100 0.010 0.000 0.948 722 T CB 0.623 69.495 68.868 0.008 0.000 0.962 722 T HN 0.123 nan 8.240 nan 0.000 0.465 723 I N 0.865 121.443 120.570 0.014 0.000 2.304 723 I HA 0.494 4.661 4.170 -0.006 0.000 0.291 723 I C -0.443 175.684 176.117 0.016 0.000 1.018 723 I CA -0.465 60.844 61.300 0.016 0.000 1.260 723 I CB 0.923 38.934 38.000 0.018 0.000 1.390 723 I HN 0.273 nan 8.210 nan 0.000 0.475 724 T N 6.652 121.213 114.554 0.012 0.000 2.728 724 T HA 0.341 4.687 4.350 -0.006 0.000 0.296 724 T C 0.076 174.783 174.700 0.011 0.000 0.940 724 T CA -0.252 61.855 62.100 0.013 0.000 1.013 724 T CB 1.142 70.014 68.868 0.006 0.000 0.912 724 T HN 0.456 nan 8.240 nan 0.000 0.484 725 V N 5.679 125.610 119.914 0.028 0.000 2.333 725 V HA 0.491 4.607 4.120 -0.006 0.000 0.274 725 V C 0.594 176.715 176.094 0.045 0.000 1.028 725 V CA -0.758 61.563 62.300 0.035 0.000 0.851 725 V CB 0.854 32.729 31.823 0.087 0.000 1.000 725 V HN 1.053 nan 8.190 nan 0.000 0.456 726 T N 1.695 116.241 114.554 -0.013 0.000 2.876 726 T HA 0.852 5.199 4.350 -0.006 0.000 0.289 726 T C -0.039 174.590 174.700 -0.119 0.000 1.014 726 T CA -0.530 61.559 62.100 -0.019 0.000 0.986 726 T CB 2.073 70.922 68.868 -0.031 0.000 1.021 726 T HN 0.808 nan 8.240 nan 0.000 0.458 727 G N -0.000 108.753 108.800 -0.077 0.000 2.569 727 G HA2 0.826 4.782 3.960 -0.006 0.000 0.300 727 G HA3 0.826 4.782 3.960 -0.006 0.000 0.300 727 G C -1.342 173.440 174.900 -0.196 0.000 1.269 727 G CA -0.940 43.986 45.100 -0.289 0.000 0.959 727 G HN 1.275 nan 8.290 nan 0.000 0.478 728 A N -0.398 122.182 122.820 -0.400 0.000 2.491 728 A HA 0.987 5.303 4.320 -0.006 0.000 0.293 728 A C 0.239 177.767 177.584 -0.093 0.000 1.047 728 A CA 0.543 52.492 52.037 -0.148 0.000 0.735 728 A CB 1.094 20.009 19.000 -0.141 0.000 1.281 728 A HN 2.680 nan 8.150 nan 0.000 0.398 729 G N 0.736 109.604 108.800 0.114 0.000 2.378 729 G HA2 0.205 4.161 3.960 -0.006 0.000 0.198 729 G HA3 0.205 4.161 3.960 -0.006 0.000 0.198 729 G C -0.506 174.579 174.900 0.308 0.000 1.223 729 G CA -0.043 45.167 45.100 0.185 0.000 1.088 729 G HN 1.187 nan 8.290 nan 0.000 0.530 730 E N 0.469 120.814 120.200 0.241 0.000 2.113 730 E HA 0.630 4.977 4.350 -0.006 0.000 0.273 730 E C -0.185 176.446 176.600 0.052 0.000 0.924 730 E CA -0.130 56.343 56.400 0.122 0.000 0.764 730 E CB 0.965 30.661 29.700 -0.007 0.000 1.104 730 E HN 1.593 nan 8.360 nan 0.000 0.406 731 A N 4.436 127.247 122.820 -0.016 0.000 2.594 731 A HA 0.601 4.918 4.320 -0.006 0.000 0.296 731 A C -1.493 176.150 177.584 0.098 0.000 1.061 731 A CA -0.860 51.107 52.037 -0.116 0.000 0.689 731 A CB 1.615 19.972 19.000 -1.072 0.000 1.280 731 A HN 0.553 nan 8.150 nan 0.000 0.406 732 K N 1.110 121.614 120.400 0.175 0.000 2.464 732 K HA 0.557 4.873 4.320 -0.006 0.000 0.253 732 K C -0.009 176.677 176.600 0.144 0.000 0.933 732 K CA -0.818 55.557 56.287 0.147 0.000 0.801 732 K CB 1.574 34.127 32.500 0.087 0.000 1.271 732 K HN 0.782 nan 8.250 nan 0.000 0.430 733 N N 1.954 120.681 118.700 0.045 0.000 2.776 733 N HA -0.125 4.611 4.740 -0.006 0.000 0.249 733 N C -0.824 174.738 175.510 0.087 0.000 1.111 733 N CA 0.574 53.627 53.050 0.007 0.000 0.711 733 N CB -0.163 38.337 38.487 0.021 0.000 1.065 733 N HN 0.636 nan 8.380 nan 0.000 0.556 734 W N -0.285 121.041 121.300 0.043 0.000 2.166 734 W HA 0.681 5.338 4.660 -0.006 0.000 0.364 734 W C -0.246 176.358 176.519 0.142 0.000 1.344 734 W CA -0.209 57.211 57.345 0.126 0.000 1.471 734 W CB 0.272 29.901 29.460 0.281 0.000 1.220 734 W HN -0.071 nan 8.180 nan 0.000 0.666 735 T N 2.314 117.240 114.554 0.620 0.000 2.900 735 T HA 0.414 4.760 4.350 -0.006 0.000 0.303 735 T C -1.568 173.447 174.700 0.525 0.000 1.142 735 T CA -0.669 61.643 62.100 0.353 0.000 1.007 735 T CB 1.790 70.761 68.868 0.171 0.000 1.156 735 T HN 0.368 nan 8.240 nan 0.000 0.490 736 L N 3.027 124.435 121.223 0.308 0.000 2.376 736 L HA 0.681 5.018 4.340 -0.006 0.000 0.275 736 L C -0.925 175.959 176.870 0.024 0.000 0.987 736 L CA -0.571 54.414 54.840 0.241 0.000 0.828 736 L CB 0.864 43.091 42.059 0.280 0.000 1.249 736 L HN 0.887 nan 8.230 nan 0.000 0.409 737 C N 6.810 126.027 119.300 -0.138 0.000 2.303 737 C HA 0.600 5.057 4.460 -0.006 0.000 0.326 737 C C -0.007 174.874 174.990 -0.181 0.000 1.285 737 C CA -0.750 58.127 59.018 -0.235 0.000 1.675 737 C CB 0.190 27.617 27.740 -0.521 0.000 2.289 737 C HN 0.731 nan 8.230 nan 0.000 0.512 738 L N 7.852 129.007 121.223 -0.113 0.000 2.287 738 L HA 0.445 4.781 4.340 -0.006 0.000 0.280 738 L C 0.481 177.288 176.870 -0.105 0.000 1.055 738 L CA -0.337 54.447 54.840 -0.094 0.000 0.863 738 L CB -0.132 41.901 42.059 -0.044 0.000 1.245 738 L HN 0.584 nan 8.230 nan 0.000 0.432 739 R N 3.249 123.639 120.500 -0.183 0.000 2.570 739 R HA 0.018 4.354 4.340 -0.006 0.000 0.277 739 R C 0.584 176.850 176.300 -0.056 0.000 1.039 739 R CA 0.002 56.005 56.100 -0.161 0.000 1.065 739 R CB 0.048 30.126 30.300 -0.370 0.000 0.964 739 R HN 0.625 nan 8.270 nan 0.000 0.428 740 N N -0.236 118.460 118.700 -0.007 0.000 2.741 740 N HA -0.169 4.567 4.740 -0.006 0.000 0.250 740 N C -1.056 174.462 175.510 0.013 0.000 1.115 740 N CA 0.940 54.003 53.050 0.022 0.000 0.724 740 N CB -0.704 37.811 38.487 0.046 0.000 1.090 740 N HN 0.259 nan 8.380 nan 0.000 0.558 741 V N 1.406 121.319 119.914 -0.001 0.000 2.326 741 V HA 0.201 4.317 4.120 -0.006 0.000 0.281 741 V C 1.587 177.683 176.094 0.002 0.000 1.015 741 V CA -0.484 61.816 62.300 0.001 0.000 0.823 741 V CB 1.641 33.460 31.823 -0.007 0.000 1.009 741 V HN 0.075 nan 8.190 nan 0.000 0.436 742 V N 1.541 121.460 119.914 0.009 0.000 2.649 742 V HA 0.260 4.377 4.120 -0.006 0.000 0.248 742 V C 0.762 176.861 176.094 0.007 0.000 1.054 742 V CA 0.937 63.243 62.300 0.010 0.000 1.073 742 V CB -0.333 31.499 31.823 0.015 0.000 0.699 742 V HN 0.682 nan 8.190 nan 0.000 0.463 743 K N -0.510 119.894 120.400 0.007 0.000 2.498 743 K HA 0.661 4.977 4.320 -0.006 0.000 0.254 743 K C -1.755 174.848 176.600 0.005 0.000 0.933 743 K CA -0.449 55.842 56.287 0.005 0.000 0.806 743 K CB 3.240 35.744 32.500 0.007 0.000 1.301 743 K HN 0.042 nan 8.250 nan 0.000 0.432 744 V N 2.378 122.294 119.914 0.003 0.000 3.177 744 V HA 0.316 4.432 4.120 -0.006 0.000 0.319 744 V C 0.377 176.473 176.094 0.004 0.000 1.125 744 V CA -0.384 61.918 62.300 0.003 0.000 1.029 744 V CB 1.999 33.823 31.823 0.002 0.000 1.119 744 V HN 0.985 nan 8.190 nan 0.000 0.452 745 N N 1.018 119.720 118.700 0.004 0.000 2.349 745 N HA 0.292 5.028 4.740 -0.006 0.000 0.216 745 N C 0.522 176.034 175.510 0.003 0.000 1.025 745 N CA 0.832 53.884 53.050 0.004 0.000 1.074 745 N CB 0.003 38.493 38.487 0.005 0.000 1.323 745 N HN 0.789 nan 8.380 nan 0.000 0.560 746 G N 0.569 109.371 108.800 0.003 0.000 2.335 746 G HA2 0.509 4.466 3.960 -0.006 0.000 0.314 746 G HA3 0.509 4.466 3.960 -0.006 0.000 0.314 746 G C -1.400 173.502 174.900 0.003 0.000 1.129 746 G CA -0.408 44.694 45.100 0.003 0.000 0.912 746 G HN 0.344 nan 8.290 nan 0.000 0.443 747 L N 2.795 124.018 121.223 0.000 0.000 2.301 747 L HA 0.340 4.677 4.340 -0.006 0.000 0.278 747 L C 0.114 176.983 176.870 -0.002 0.000 1.022 747 L CA -0.588 54.251 54.840 -0.001 0.000 0.854 747 L CB 1.070 43.126 42.059 -0.004 0.000 1.226 747 L HN 0.471 nan 8.230 nan 0.000 0.429 748 Q N 4.997 124.797 119.800 0.001 0.000 2.307 748 Q HA 0.100 4.436 4.340 -0.006 0.000 0.259 748 Q C -0.401 175.597 176.000 -0.003 0.000 0.998 748 Q CA -0.246 55.557 55.803 0.000 0.000 0.923 748 Q CB 0.726 29.466 28.738 0.005 0.000 1.196 748 Q HN 0.693 nan 8.270 nan 0.000 0.416 749 D N 1.715 122.110 120.400 -0.009 0.000 3.861 749 D HA -0.159 4.477 4.640 -0.006 0.000 0.222 749 D C -0.411 175.870 176.300 -0.032 0.000 1.063 749 D CA 1.308 55.297 54.000 -0.018 0.000 1.163 749 D CB -1.029 39.763 40.800 -0.014 0.000 0.765 749 D HN 0.835 nan 8.370 nan 0.000 0.383 750 G N 1.130 109.906 108.800 -0.040 0.000 2.397 750 G HA2 0.448 4.404 3.960 -0.006 0.000 0.453 750 G HA3 0.448 4.404 3.960 -0.006 0.000 0.453 750 G C -0.073 174.799 174.900 -0.047 0.000 1.579 750 G CA 0.185 45.250 45.100 -0.059 0.000 0.906 750 G HN 1.368 nan 8.290 nan 0.000 0.675 751 S N 0.449 116.118 115.700 -0.052 0.000 2.625 751 S HA 0.785 5.251 4.470 -0.006 0.000 0.258 751 S C 0.245 174.826 174.600 -0.032 0.000 1.256 751 S CA 0.723 58.901 58.200 -0.038 0.000 0.983 751 S CB 1.394 64.572 63.200 -0.037 0.000 1.032 751 S HN 1.904 nan 8.310 nan 0.000 0.572 752 Q N -0.905 118.881 119.800 -0.023 0.000 2.435 752 Q HA 0.747 5.083 4.340 -0.006 0.000 0.282 752 Q C -1.495 174.497 176.000 -0.013 0.000 1.020 752 Q CA -1.345 54.447 55.803 -0.017 0.000 0.820 752 Q CB 1.559 30.290 28.738 -0.012 0.000 1.436 752 Q HN 1.071 nan 8.270 nan 0.000 0.395 753 A N 1.162 123.976 122.820 -0.010 0.000 2.566 753 A HA 0.646 4.962 4.320 -0.006 0.000 0.292 753 A C -1.407 176.177 177.584 -0.001 0.000 1.112 753 A CA -0.804 51.230 52.037 -0.005 0.000 0.707 753 A CB 1.946 20.943 19.000 -0.004 0.000 1.302 753 A HN 0.754 nan 8.150 nan 0.000 0.409 754 E N 0.809 121.011 120.200 0.004 0.000 2.227 754 E HA 0.481 4.827 4.350 -0.006 0.000 0.282 754 E C -0.171 176.437 176.600 0.014 0.000 1.015 754 E CA -0.219 56.186 56.400 0.008 0.000 0.823 754 E CB 1.393 31.100 29.700 0.011 0.000 1.081 754 E HN 0.674 nan 8.360 nan 0.000 0.396 755 S N 1.924 117.634 115.700 0.017 0.000 2.599 755 S HA 0.198 4.664 4.470 -0.006 0.000 0.294 755 S C 0.748 175.372 174.600 0.040 0.000 1.094 755 S CA -0.823 57.395 58.200 0.029 0.000 0.931 755 S CB 1.851 65.069 63.200 0.030 0.000 1.093 755 S HN 0.593 nan 8.310 nan 0.000 0.488 756 E N 0.449 120.682 120.200 0.055 0.000 2.333 756 E HA -0.139 4.208 4.350 -0.006 0.000 0.198 756 E C 1.187 177.833 176.600 0.076 0.000 1.007 756 E CA 1.081 57.520 56.400 0.065 0.000 0.845 756 E CB 0.039 29.785 29.700 0.077 0.000 0.766 756 E HN 0.737 nan 8.360 nan 0.000 0.507 757 Q N -1.000 118.848 119.800 0.080 0.000 2.384 757 Q HA 0.219 4.555 4.340 -0.006 0.000 0.207 757 Q C 0.774 176.800 176.000 0.043 0.000 0.904 757 Q CA 0.448 56.303 55.803 0.087 0.000 0.933 757 Q CB 1.442 30.261 28.738 0.134 0.000 1.077 757 Q HN 0.168 nan 8.270 nan 0.000 0.522 758 G N 0.720 109.536 108.800 0.025 0.000 2.347 758 G HA2 -0.025 3.931 3.960 -0.006 0.000 0.341 758 G HA3 -0.025 3.931 3.960 -0.006 0.000 0.341 758 G C -1.828 173.066 174.900 -0.011 0.000 1.287 758 G CA -1.179 43.922 45.100 0.002 0.000 0.984 758 G HN -0.012 nan 8.290 nan 0.000 0.526 759 L N 0.541 121.754 121.223 -0.016 0.000 2.615 759 L HA 0.390 4.727 4.340 -0.006 0.000 0.271 759 L C 0.831 177.682 176.870 -0.031 0.000 1.183 759 L CA 0.125 54.955 54.840 -0.017 0.000 0.933 759 L CB 0.701 42.753 42.059 -0.012 0.000 1.199 759 L HN 0.478 nan 8.230 nan 0.000 0.487 760 V N 6.268 126.166 119.914 -0.026 0.000 2.406 760 V HA 0.342 4.458 4.120 -0.006 0.000 0.272 760 V C 0.146 176.231 176.094 -0.015 0.000 1.043 760 V CA -0.588 61.694 62.300 -0.029 0.000 0.915 760 V CB 1.564 33.374 31.823 -0.022 0.000 0.988 760 V HN 0.431 nan 8.190 nan 0.000 0.466 761 V N 5.425 125.337 119.914 -0.004 0.000 2.513 761 V HA 0.486 4.603 4.120 -0.006 0.000 0.299 761 V C -0.029 176.052 176.094 -0.022 0.000 1.035 761 V CA -0.848 61.448 62.300 -0.007 0.000 0.889 761 V CB 1.901 33.730 31.823 0.010 0.000 0.988 761 V HN 0.832 nan 8.190 nan 0.000 0.440 762 K N 6.409 126.768 120.400 -0.067 0.000 2.323 762 K HA 0.560 4.876 4.320 -0.006 0.000 0.259 762 K C -2.668 173.812 176.600 -0.200 0.000 0.947 762 K CA -1.880 54.324 56.287 -0.140 0.000 0.819 762 K CB 2.348 34.782 32.500 -0.110 0.000 1.109 762 K HN 0.417 nan 8.250 nan 0.000 0.429 763 P HA 0.127 nan 4.420 nan 0.000 0.278 763 P C -0.750 176.401 177.300 -0.249 0.000 1.266 763 P CA -0.338 62.559 63.100 -0.339 0.000 0.807 763 P CB 0.846 32.150 31.700 -0.660 0.000 1.094 764 Q N -0.170 119.537 119.800 -0.155 0.000 2.268 764 Q HA 0.427 4.764 4.340 -0.006 0.000 0.289 764 Q C 0.739 176.693 176.000 -0.077 0.000 0.893 764 Q CA -0.065 55.676 55.803 -0.103 0.000 1.057 764 Q CB -0.066 28.637 28.738 -0.059 0.000 1.173 764 Q HN 0.870 nan 8.270 nan 0.000 0.449 765 G N 1.740 110.471 108.800 -0.114 0.000 2.423 765 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.684 765 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.684 765 G C -0.666 174.282 174.900 0.080 0.000 1.309 765 G CA -0.801 44.293 45.100 -0.010 0.000 0.950 765 G HN 0.384 nan 8.290 nan 0.000 0.587 766 N N -0.435 118.433 118.700 0.282 0.000 3.091 766 N HA 0.557 5.293 4.740 -0.006 0.000 0.301 766 N C 0.163 175.825 175.510 0.253 0.000 1.325 766 N CA 0.535 53.873 53.050 0.481 0.000 1.143 766 N CB 1.154 40.039 38.487 0.663 0.000 1.450 766 N HN 1.599 nan 8.380 nan 0.000 0.542 767 A N 0.632 123.550 122.820 0.163 0.000 3.307 767 A HA 0.480 4.797 4.320 -0.006 0.000 0.289 767 A C -0.886 176.737 177.584 0.066 0.000 1.138 767 A CA -0.780 51.314 52.037 0.095 0.000 0.860 767 A CB -0.220 18.820 19.000 0.068 0.000 1.318 767 A HN 0.391 nan 8.150 nan 0.000 0.551 768 L N -1.235 120.033 121.223 0.076 0.000 2.230 768 L HA 1.094 5.431 4.340 -0.006 0.000 0.255 768 L C -0.286 176.610 176.870 0.043 0.000 1.039 768 L CA -0.239 54.631 54.840 0.049 0.000 0.846 768 L CB 1.527 43.611 42.059 0.042 0.000 1.419 768 L HN 0.605 nan 8.230 nan 0.000 0.435 769 T N -1.285 113.287 114.554 0.029 0.000 2.889 769 T HA 0.787 5.133 4.350 -0.006 0.000 0.315 769 T C -1.219 173.492 174.700 0.018 0.000 1.291 769 T CA -0.433 61.681 62.100 0.023 0.000 1.028 769 T CB 1.025 69.903 68.868 0.016 0.000 1.235 769 T HN 0.741 nan 8.240 nan 0.000 0.491 770 I N 1.803 122.383 120.570 0.017 0.000 2.608 770 I HA 0.565 4.732 4.170 -0.006 0.000 0.295 770 I C -0.312 175.812 176.117 0.011 0.000 1.049 770 I CA -0.775 60.533 61.300 0.013 0.000 1.063 770 I CB 2.858 40.867 38.000 0.015 0.000 1.248 770 I HN 0.718 nan 8.210 nan 0.000 0.424 771 T N 6.027 120.586 114.554 0.008 0.000 2.812 771 T HA 0.608 4.955 4.350 -0.006 0.000 0.282 771 T C -0.336 174.368 174.700 0.008 0.000 0.990 771 T CA -0.575 61.530 62.100 0.008 0.000 0.960 771 T CB 0.948 69.820 68.868 0.007 0.000 0.948 771 T HN 0.245 nan 8.240 nan 0.000 0.438 772 L N 1.708 122.936 121.223 0.009 0.000 2.379 772 L HA 0.692 5.029 4.340 -0.006 0.000 0.269 772 L C 1.538 178.414 176.870 0.008 0.000 1.084 772 L CA -1.236 53.609 54.840 0.009 0.000 0.802 772 L CB -0.231 41.834 42.059 0.010 0.000 1.175 772 L HN 0.918 nan 8.230 nan 0.000 0.448 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.553 4.556 -0.006 0.000 0.296 773 H CA 0.000 56.053 56.048 0.008 0.000 1.023 773 H CB 0.000 29.767 29.762 0.008 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496