REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xsk_1_C 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 0.000 176.148 176.300 -0.253 0.000 1.140 1 M CA 0.000 55.157 55.300 -0.239 0.000 0.988 1 M CB 0.000 32.377 32.600 -0.371 0.000 1.302 2 K N 5.115 125.388 120.400 -0.213 0.000 2.382 2 K HA 0.240 4.560 4.320 -0.000 0.000 0.286 2 K C 0.269 176.720 176.600 -0.248 0.000 1.062 2 K CA 0.311 56.477 56.287 -0.201 0.000 1.000 2 K CB 0.335 32.746 32.500 -0.147 0.000 0.954 2 K HN 0.691 nan 8.250 nan 0.000 0.470 3 I N 0.600 120.994 120.570 -0.294 0.000 2.900 3 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 3 I C 1.135 177.111 176.117 -0.235 0.000 1.102 3 I CA 0.329 61.424 61.300 -0.342 0.000 1.457 3 I CB -0.016 37.635 38.000 -0.581 0.000 1.285 3 I HN 0.485 nan 8.210 nan 0.000 0.459 4 S N 0.204 115.777 115.700 -0.211 0.000 2.645 4 S HA 0.191 4.661 4.470 -0.000 0.000 0.266 4 S C -0.345 174.188 174.600 -0.111 0.000 1.258 4 S CA -0.511 57.607 58.200 -0.136 0.000 0.990 4 S CB 1.565 64.689 63.200 -0.127 0.000 0.967 4 S HN 0.250 nan 8.310 nan 0.000 0.556 5 D N -0.262 120.093 120.400 -0.075 0.000 2.412 5 D HA 0.507 5.147 4.640 -0.000 0.000 0.276 5 D C 0.485 176.757 176.300 -0.046 0.000 1.196 5 D CA 0.734 54.700 54.000 -0.056 0.000 0.905 5 D CB 0.010 40.790 40.800 -0.033 0.000 1.081 5 D HN 1.154 nan 8.370 nan 0.000 0.502 6 G N 2.884 111.635 108.800 -0.081 0.000 2.760 6 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 6 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 6 G C 0.657 175.445 174.900 -0.187 0.000 1.359 6 G CA -0.100 44.932 45.100 -0.114 0.000 0.861 6 G HN 0.480 nan 8.290 nan 0.000 0.541 7 N N -0.772 117.708 118.700 -0.368 0.000 2.270 7 N HA 0.033 4.773 4.740 -0.000 0.000 0.181 7 N C 1.962 177.197 175.510 -0.458 0.000 1.016 7 N CA 2.390 55.104 53.050 -0.560 0.000 0.870 7 N CB -0.106 37.804 38.487 -0.962 0.000 0.979 7 N HN 0.638 nan 8.380 nan 0.000 0.431 8 W N -0.175 121.116 121.300 -0.015 0.000 2.640 8 W HA 0.333 4.993 4.660 -0.000 0.000 0.268 8 W C 0.396 176.909 176.519 -0.010 0.000 1.263 8 W CA -0.617 56.722 57.345 -0.010 0.000 1.344 8 W CB 0.274 29.729 29.460 -0.009 0.000 1.093 8 W HN -0.098 nan 8.180 nan 0.000 0.603 9 L N -0.404 120.924 121.223 0.175 0.000 2.211 9 L HA 0.652 4.992 4.340 -0.000 0.000 0.259 9 L C -0.211 176.680 176.870 0.035 0.000 1.031 9 L CA -1.350 53.550 54.840 0.100 0.000 0.877 9 L CB 1.339 43.447 42.059 0.082 0.000 1.457 9 L HN -0.308 nan 8.230 nan 0.000 0.466 10 I N -0.592 119.988 120.570 0.016 0.000 2.934 10 I HA 0.243 4.413 4.170 -0.000 0.000 0.306 10 I C -0.717 175.381 176.117 -0.032 0.000 1.110 10 I CA -0.963 60.326 61.300 -0.018 0.000 1.019 10 I CB 2.182 40.177 38.000 -0.008 0.000 1.227 10 I HN 0.467 nan 8.210 nan 0.000 0.434 11 Q N 3.486 123.249 119.800 -0.062 0.000 2.300 11 Q HA 0.204 4.544 4.340 -0.000 0.000 0.280 11 Q C -2.294 173.678 176.000 -0.046 0.000 1.033 11 Q CA -1.495 54.270 55.803 -0.062 0.000 0.903 11 Q CB 0.084 28.766 28.738 -0.094 0.000 1.195 11 Q HN 0.183 nan 8.270 nan 0.000 0.386 12 P HA -0.041 nan 4.420 nan 0.000 0.264 12 P C 0.635 177.920 177.300 -0.026 0.000 1.183 12 P CA 1.141 64.227 63.100 -0.023 0.000 0.763 12 P CB 0.399 32.088 31.700 -0.019 0.000 0.807 13 G N 1.884 110.672 108.800 -0.019 0.000 2.179 13 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 13 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 13 G C -0.112 174.775 174.900 -0.022 0.000 0.977 13 G CA -0.331 44.759 45.100 -0.017 0.000 0.641 13 G HN 0.459 nan 8.290 nan 0.000 0.533 14 L N 0.989 122.192 121.223 -0.033 0.000 2.289 14 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 14 L C -0.599 176.250 176.870 -0.035 0.000 1.049 14 L CA -0.949 53.864 54.840 -0.045 0.000 0.804 14 L CB 1.306 43.319 42.059 -0.076 0.000 1.195 14 L HN 0.004 nan 8.230 nan 0.000 0.428 15 N N 5.138 123.818 118.700 -0.033 0.000 2.479 15 N HA 0.522 5.262 4.740 -0.000 0.000 0.261 15 N C -0.919 174.573 175.510 -0.031 0.000 0.979 15 N CA -0.352 52.685 53.050 -0.022 0.000 0.930 15 N CB 2.083 40.569 38.487 -0.003 0.000 1.172 15 N HN 0.414 nan 8.380 nan 0.000 0.499 16 L N 2.513 123.707 121.223 -0.048 0.000 2.325 16 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 16 L C 0.303 177.041 176.870 -0.220 0.000 1.023 16 L CA -1.126 53.655 54.840 -0.099 0.000 0.811 16 L CB 1.333 43.342 42.059 -0.084 0.000 1.249 16 L HN 0.419 nan 8.230 nan 0.000 0.431 17 I N -1.377 119.067 120.570 -0.211 0.000 2.569 17 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 17 I C -1.088 174.968 176.117 -0.102 0.000 1.088 17 I CA -0.560 60.645 61.300 -0.159 0.000 1.047 17 I CB 2.088 40.093 38.000 0.009 0.000 1.237 17 I HN 0.517 nan 8.210 nan 0.000 0.421 18 H N 4.514 123.694 119.070 0.183 0.000 2.747 18 H HA 0.507 5.063 4.556 -0.000 0.000 0.371 18 H C -2.737 172.547 175.328 -0.074 0.000 1.161 18 H CA -2.278 53.732 56.048 -0.064 0.000 1.167 18 H CB 2.256 31.922 29.762 -0.160 0.000 1.732 18 H HN 0.452 nan 8.280 nan 0.000 0.544 19 P HA 0.137 nan 4.420 nan 0.000 0.280 19 P C 0.409 177.207 177.300 -0.836 0.000 1.300 19 P CA -0.079 62.784 63.100 -0.396 0.000 0.785 19 P CB 0.768 32.067 31.700 -0.668 0.000 0.874 20 L N 1.963 122.936 121.223 -0.417 0.000 2.664 20 L HA 0.272 4.612 4.340 -0.000 0.000 0.233 20 L C 1.110 177.956 176.870 -0.040 0.000 1.113 20 L CA 0.419 55.074 54.840 -0.308 0.000 0.896 20 L CB 0.183 42.198 42.059 -0.073 0.000 1.163 20 L HN 0.450 nan 8.230 nan 0.000 0.497 21 Q N 0.470 120.281 119.800 0.018 0.000 2.352 21 Q HA 0.309 4.649 4.340 -0.000 0.000 0.270 21 Q C -1.526 174.701 176.000 0.379 0.000 1.006 21 Q CA -0.405 55.571 55.803 0.288 0.000 0.880 21 Q CB 3.039 31.882 28.738 0.175 0.000 1.392 21 Q HN -0.141 nan 8.270 nan 0.000 0.401 22 V N 4.944 125.156 119.914 0.497 0.000 2.637 22 V HA 0.091 4.211 4.120 -0.000 0.000 0.296 22 V C 0.377 176.676 176.094 0.341 0.000 1.046 22 V CA 0.536 63.101 62.300 0.442 0.000 1.066 22 V CB 0.616 32.634 31.823 0.325 0.000 0.968 22 V HN 0.847 nan 8.190 nan 0.000 0.483 23 F N 3.029 123.116 119.950 0.229 0.000 2.490 23 F HA 0.401 4.928 4.527 -0.000 0.000 0.280 23 F C 0.853 176.751 175.800 0.164 0.000 1.030 23 F CA 0.589 58.691 58.000 0.169 0.000 1.367 23 F CB 0.509 39.601 39.000 0.153 0.000 1.131 23 F HN 0.549 nan 8.300 nan 0.000 0.632 24 E N 0.239 120.467 120.200 0.046 0.000 2.413 24 E HA 0.548 4.898 4.350 -0.000 0.000 0.277 24 E C -1.995 174.749 176.600 0.241 0.000 0.958 24 E CA -0.830 55.560 56.400 -0.017 0.000 0.779 24 E CB 2.640 32.313 29.700 -0.044 0.000 1.278 24 E HN -0.123 nan 8.360 nan 0.000 0.456 25 V N 2.683 122.690 119.914 0.155 0.000 2.524 25 V HA 0.363 4.483 4.120 -0.000 0.000 0.297 25 V C -0.724 175.453 176.094 0.139 0.000 1.035 25 V CA -0.647 61.742 62.300 0.149 0.000 0.867 25 V CB 1.592 33.467 31.823 0.088 0.000 1.004 25 V HN 0.695 nan 8.190 nan 0.000 0.426 26 E N 3.829 124.126 120.200 0.161 0.000 2.256 26 E HA 0.599 4.949 4.350 -0.000 0.000 0.267 26 E C -1.081 175.580 176.600 0.102 0.000 0.892 26 E CA -0.725 55.761 56.400 0.143 0.000 0.775 26 E CB 2.375 32.208 29.700 0.220 0.000 1.207 26 E HN 0.709 nan 8.360 nan 0.000 0.420 27 Q N 2.804 122.657 119.800 0.088 0.000 2.322 27 Q HA 0.247 4.587 4.340 -0.000 0.000 0.265 27 Q C -1.327 174.718 176.000 0.075 0.000 0.985 27 Q CA -0.495 55.359 55.803 0.086 0.000 0.849 27 Q CB 1.440 30.226 28.738 0.081 0.000 1.274 27 Q HN 0.505 nan 8.270 nan 0.000 0.449 28 Q N 4.554 124.396 119.800 0.070 0.000 2.607 28 Q HA 0.215 4.555 4.340 -0.000 0.000 0.247 28 Q C -0.864 175.173 176.000 0.061 0.000 1.033 28 Q CA -0.523 55.313 55.803 0.054 0.000 0.769 28 Q CB 1.061 29.819 28.738 0.034 0.000 1.169 28 Q HN 0.841 nan 8.270 nan 0.000 0.508 29 D N 1.309 121.747 120.400 0.063 0.000 4.352 29 D HA -0.254 4.386 4.640 -0.000 0.000 0.135 29 D C 0.469 176.830 176.300 0.103 0.000 0.758 29 D CA 2.193 56.234 54.000 0.068 0.000 1.133 29 D CB -0.889 39.946 40.800 0.058 0.000 0.571 29 D HN 0.682 nan 8.370 nan 0.000 0.555 30 N N 2.044 120.822 118.700 0.130 0.000 2.235 30 N HA 0.203 4.943 4.740 -0.000 0.000 0.209 30 N C -0.501 175.208 175.510 0.332 0.000 1.122 30 N CA 0.273 53.451 53.050 0.214 0.000 0.845 30 N CB 0.448 39.051 38.487 0.192 0.000 1.004 30 N HN 0.347 nan 8.380 nan 0.000 0.499 31 E N 0.320 120.637 120.200 0.194 0.000 2.222 31 E HA 0.276 4.626 4.350 -0.000 0.000 0.267 31 E C -1.128 175.522 176.600 0.084 0.000 0.884 31 E CA -0.660 55.795 56.400 0.093 0.000 0.764 31 E CB 2.244 31.947 29.700 0.006 0.000 1.169 31 E HN 0.133 nan 8.360 nan 0.000 0.413 32 M N 3.616 123.239 119.600 0.039 0.000 2.129 32 M HA 0.343 4.823 4.480 -0.000 0.000 0.348 32 M C -1.579 174.783 176.300 0.104 0.000 1.116 32 M CA -0.737 54.633 55.300 0.116 0.000 1.022 32 M CB 0.922 33.635 32.600 0.188 0.000 1.599 32 M HN 0.258 nan 8.290 nan 0.000 0.449 33 V N 5.899 125.840 119.914 0.045 0.000 2.417 33 V HA 0.526 4.646 4.120 -0.000 0.000 0.291 33 V C -0.560 175.486 176.094 -0.080 0.000 1.024 33 V CA -0.724 61.531 62.300 -0.075 0.000 0.861 33 V CB 1.688 33.404 31.823 -0.177 0.000 0.985 33 V HN 0.660 nan 8.190 nan 0.000 0.436 34 V N 5.279 125.143 119.914 -0.082 0.000 2.487 34 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 34 V C -1.146 174.918 176.094 -0.050 0.000 1.028 34 V CA -0.757 61.572 62.300 0.047 0.000 0.860 34 V CB 1.657 33.641 31.823 0.269 0.000 0.991 34 V HN 0.745 nan 8.190 nan 0.000 0.427 35 Y N 2.947 123.406 120.300 0.265 0.000 2.328 35 Y HA 0.748 5.298 4.550 -0.000 0.000 0.337 35 Y C 0.465 176.567 175.900 0.337 0.000 1.008 35 Y CA -0.423 57.846 58.100 0.282 0.000 1.129 35 Y CB 1.789 40.440 38.460 0.319 0.000 1.185 35 Y HN 0.721 nan 8.280 nan 0.000 0.476 36 A N 2.100 125.166 122.820 0.410 0.000 2.386 36 A HA 0.916 5.236 4.320 -0.000 0.000 0.311 36 A C -0.975 176.740 177.584 0.219 0.000 1.068 36 A CA -0.663 51.563 52.037 0.314 0.000 0.743 36 A CB 0.894 19.977 19.000 0.140 0.000 1.258 36 A HN 0.798 nan 8.150 nan 0.000 0.429 37 A N 2.222 125.137 122.820 0.159 0.000 2.306 37 A HA 0.774 5.094 4.320 -0.000 0.000 0.330 37 A C -2.258 175.353 177.584 0.044 0.000 1.146 37 A CA -1.767 50.316 52.037 0.076 0.000 0.827 37 A CB 0.626 19.662 19.000 0.059 0.000 1.178 37 A HN 0.463 nan 8.150 nan 0.000 0.490 38 P HA 0.037 nan 4.420 nan 0.000 0.245 38 P C 0.017 177.313 177.300 -0.007 0.000 1.212 38 P CA 0.752 63.873 63.100 0.036 0.000 0.774 38 P CB 0.074 31.782 31.700 0.013 0.000 0.999 39 R N -2.712 117.771 120.500 -0.028 0.000 2.762 39 R HA 0.381 4.721 4.340 -0.000 0.000 0.271 39 R C -1.383 174.873 176.300 -0.074 0.000 1.038 39 R CA -0.897 55.156 56.100 -0.078 0.000 0.906 39 R CB -0.090 30.122 30.300 -0.146 0.000 1.259 39 R HN -0.352 nan 8.270 nan 0.000 0.457 40 D N 1.563 121.878 120.400 -0.142 0.000 2.412 40 D HA 0.091 4.731 4.640 -0.000 0.000 0.257 40 D C 0.460 176.712 176.300 -0.081 0.000 1.217 40 D CA 0.148 54.083 54.000 -0.108 0.000 0.897 40 D CB 1.301 41.998 40.800 -0.172 0.000 1.132 40 D HN 0.458 nan 8.370 nan 0.000 0.493 41 V N 1.971 121.923 119.914 0.064 0.000 2.915 41 V HA 0.320 4.440 4.120 -0.000 0.000 0.364 41 V C 1.623 177.855 176.094 0.230 0.000 1.354 41 V CA -0.498 61.896 62.300 0.156 0.000 1.213 41 V CB -0.021 31.871 31.823 0.114 0.000 1.268 41 V HN 0.338 nan 8.190 nan 0.000 0.557 42 R N 1.034 121.641 120.500 0.178 0.000 2.152 42 R HA 0.051 4.391 4.340 -0.000 0.000 0.232 42 R C 0.430 176.840 176.300 0.184 0.000 1.117 42 R CA 1.161 57.363 56.100 0.170 0.000 0.981 42 R CB 0.174 30.536 30.300 0.103 0.000 0.870 42 R HN 0.703 nan 8.270 nan 0.000 0.451 43 E N -0.047 120.289 120.200 0.227 0.000 2.242 43 E HA 0.154 4.504 4.350 -0.000 0.000 0.275 43 E C 0.505 177.217 176.600 0.187 0.000 1.002 43 E CA -0.509 56.020 56.400 0.214 0.000 0.841 43 E CB 1.175 31.046 29.700 0.285 0.000 1.109 43 E HN 0.056 nan 8.360 nan 0.000 0.394 44 R N 0.746 121.309 120.500 0.105 0.000 2.148 44 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 44 R C 2.084 178.378 176.300 -0.011 0.000 1.103 44 R CA 1.189 57.323 56.100 0.057 0.000 0.983 44 R CB -0.419 29.901 30.300 0.033 0.000 0.874 44 R HN 0.526 nan 8.270 nan 0.000 0.451 45 T N -0.660 113.850 114.554 -0.072 0.000 2.881 45 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 45 T C 0.964 175.418 174.700 -0.410 0.000 1.068 45 T CA 1.060 62.992 62.100 -0.281 0.000 1.131 45 T CB -0.091 68.529 68.868 -0.413 0.000 0.871 45 T HN 0.483 nan 8.240 nan 0.000 0.479 46 W N 0.704 121.997 121.300 -0.011 0.000 3.177 46 W HA 0.393 5.053 4.660 -0.000 0.000 0.309 46 W C 1.553 178.040 176.519 -0.054 0.000 1.224 46 W CA -0.684 56.647 57.345 -0.023 0.000 1.718 46 W CB 0.334 29.789 29.460 -0.008 0.000 1.078 46 W HN 0.163 nan 8.180 nan 0.000 0.618 47 Q N 1.923 121.781 119.800 0.097 0.000 2.380 47 Q HA 0.164 4.504 4.340 -0.000 0.000 0.254 47 Q C -0.216 175.740 176.000 -0.073 0.000 0.927 47 Q CA 0.368 56.153 55.803 -0.031 0.000 0.950 47 Q CB -0.750 27.965 28.738 -0.039 0.000 1.206 47 Q HN 0.329 nan 8.270 nan 0.000 0.414 48 L N -5.787 115.416 121.223 -0.034 0.000 2.869 48 L HA 0.480 4.820 4.340 -0.000 0.000 0.265 48 L C -1.137 175.725 176.870 -0.013 0.000 1.011 48 L CA -1.255 53.555 54.840 -0.049 0.000 0.913 48 L CB 1.320 43.342 42.059 -0.061 0.000 1.490 48 L HN -0.181 nan 8.230 nan 0.000 0.410 49 D N 0.466 120.852 120.400 -0.023 0.000 2.697 49 D HA -0.156 4.484 4.640 -0.000 0.000 0.238 49 D C -0.289 176.025 176.300 0.023 0.000 1.152 49 D CA 1.796 55.796 54.000 -0.000 0.000 0.666 49 D CB -0.495 40.309 40.800 0.007 0.000 1.037 49 D HN 0.924 nan 8.370 nan 0.000 0.423 50 T N -0.806 113.744 114.554 -0.008 0.000 3.012 50 T HA 0.462 4.812 4.350 -0.000 0.000 0.330 50 T C -2.666 171.993 174.700 -0.069 0.000 1.321 50 T CA -1.164 60.925 62.100 -0.017 0.000 1.067 50 T CB 1.790 70.660 68.868 0.003 0.000 1.235 50 T HN -0.245 nan 8.240 nan 0.000 0.479 51 P HA 0.430 nan 4.420 nan 0.000 0.272 51 P C -1.356 175.797 177.300 -0.245 0.000 1.230 51 P CA -0.795 62.191 63.100 -0.189 0.000 0.788 51 P CB 0.414 31.952 31.700 -0.271 0.000 0.949 52 L N 2.981 124.030 121.223 -0.289 0.000 2.482 52 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 52 L C -1.469 175.306 176.870 -0.159 0.000 0.967 52 L CA -0.491 54.243 54.840 -0.176 0.000 0.851 52 L CB 0.599 42.612 42.059 -0.078 0.000 1.242 52 L HN 0.331 nan 8.230 nan 0.000 0.404 53 F N 2.694 122.682 119.950 0.062 0.000 2.410 53 F HA 0.323 4.850 4.527 -0.000 0.000 0.348 53 F C 0.941 176.792 175.800 0.085 0.000 1.106 53 F CA -0.082 57.952 58.000 0.057 0.000 1.163 53 F CB 1.595 40.593 39.000 -0.004 0.000 1.129 53 F HN 0.366 nan 8.300 nan 0.000 0.516 54 T N 5.648 120.353 114.554 0.252 0.000 2.770 54 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 54 T C -0.471 174.224 174.700 -0.009 0.000 0.997 54 T CA -0.535 61.601 62.100 0.060 0.000 0.949 54 T CB 0.337 69.226 68.868 0.035 0.000 0.941 54 T HN 0.143 nan 8.240 nan 0.000 0.457 55 L N 3.518 124.700 121.223 -0.068 0.000 2.282 55 L HA 0.579 4.919 4.340 -0.000 0.000 0.288 55 L C 0.394 177.080 176.870 -0.307 0.000 1.033 55 L CA -0.406 54.329 54.840 -0.176 0.000 0.807 55 L CB 1.217 43.220 42.059 -0.093 0.000 1.209 55 L HN 0.442 nan 8.230 nan 0.000 0.423 56 R N 2.897 123.146 120.500 -0.419 0.000 2.437 56 R HA 0.597 4.937 4.340 -0.000 0.000 0.310 56 R C -1.622 174.403 176.300 -0.458 0.000 0.955 56 R CA -0.488 55.406 56.100 -0.344 0.000 0.851 56 R CB 0.877 31.012 30.300 -0.275 0.000 1.161 56 R HN 0.375 nan 8.270 nan 0.000 0.446 57 F N 6.018 125.857 119.950 -0.185 0.000 2.427 57 F HA 0.493 5.020 4.527 -0.000 0.000 0.346 57 F C -0.279 175.104 175.800 -0.695 0.000 1.120 57 F CA -0.548 57.217 58.000 -0.393 0.000 1.033 57 F CB 1.234 39.934 39.000 -0.499 0.000 1.126 57 F HN 0.423 nan 8.300 nan 0.000 0.462 58 F N -0.287 119.243 119.950 -0.701 0.000 2.715 58 F HA 0.778 5.305 4.527 -0.000 0.000 0.318 58 F C -1.015 174.765 175.800 -0.033 0.000 1.141 58 F CA -1.958 55.739 58.000 -0.505 0.000 0.950 58 F CB 1.477 40.362 39.000 -0.191 0.000 1.374 58 F HN 0.197 nan 8.300 nan 0.000 0.477 59 S N 1.562 117.399 115.700 0.228 0.000 2.707 59 S HA 0.519 4.989 4.470 -0.000 0.000 0.303 59 S C -2.145 172.513 174.600 0.097 0.000 1.132 59 S CA -1.354 56.933 58.200 0.146 0.000 1.046 59 S CB 1.480 64.862 63.200 0.303 0.000 1.004 59 S HN 0.596 nan 8.310 nan 0.000 0.483 60 P HA 0.109 nan 4.420 nan 0.000 0.226 60 P C -0.454 176.784 177.300 -0.102 0.000 1.161 60 P CA 0.617 63.707 63.100 -0.018 0.000 0.804 60 P CB 0.351 31.987 31.700 -0.107 0.000 0.829 61 Q N -0.527 119.152 119.800 -0.203 0.000 2.435 61 Q HA 0.184 4.524 4.340 -0.000 0.000 0.282 61 Q C -0.436 175.490 176.000 -0.125 0.000 1.020 61 Q CA -0.695 55.012 55.803 -0.161 0.000 0.820 61 Q CB 1.974 30.571 28.738 -0.235 0.000 1.436 61 Q HN 0.026 nan 8.270 nan 0.000 0.395 62 E N 0.256 120.406 120.200 -0.083 0.000 2.465 62 E HA 0.068 4.418 4.350 -0.000 0.000 0.260 62 E C 0.602 177.156 176.600 -0.077 0.000 0.980 62 E CA 1.704 58.063 56.400 -0.069 0.000 0.927 62 E CB 0.268 29.934 29.700 -0.057 0.000 0.934 62 E HN 0.819 nan 8.360 nan 0.000 0.459 63 G N 4.086 112.849 108.800 -0.062 0.000 2.179 63 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 63 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 63 G C 0.312 175.183 174.900 -0.049 0.000 0.977 63 G CA 0.330 45.401 45.100 -0.048 0.000 0.641 63 G HN 0.519 nan 8.290 nan 0.000 0.533 64 I N 0.962 121.484 120.570 -0.079 0.000 2.418 64 I HA 0.463 4.633 4.170 -0.000 0.000 0.287 64 I C -0.203 175.901 176.117 -0.022 0.000 1.008 64 I CA -1.063 60.176 61.300 -0.102 0.000 1.104 64 I CB 2.184 39.982 38.000 -0.337 0.000 1.264 64 I HN -0.130 nan 8.210 nan 0.000 0.438 65 V N 5.617 125.557 119.914 0.043 0.000 2.328 65 V HA 0.467 4.587 4.120 -0.000 0.000 0.278 65 V C 0.675 176.689 176.094 -0.135 0.000 1.021 65 V CA -0.497 61.852 62.300 0.082 0.000 0.838 65 V CB 1.404 33.388 31.823 0.269 0.000 0.999 65 V HN 0.867 nan 8.190 nan 0.000 0.447 66 G N 3.730 112.204 108.800 -0.545 0.000 2.372 66 G HA2 0.526 4.486 3.960 -0.000 0.000 0.283 66 G HA3 0.526 4.486 3.960 -0.000 0.000 0.283 66 G C -0.789 173.644 174.900 -0.779 0.000 1.177 66 G CA -0.275 44.107 45.100 -1.196 0.000 0.842 66 G HN 0.545 nan 8.290 nan 0.000 0.503 67 V N 3.298 122.754 119.914 -0.765 0.000 2.349 67 V HA 0.406 4.526 4.120 -0.000 0.000 0.284 67 V C 0.220 176.035 176.094 -0.464 0.000 1.014 67 V CA -0.807 61.074 62.300 -0.698 0.000 0.826 67 V CB 1.188 32.473 31.823 -0.897 0.000 1.009 67 V HN 0.793 nan 8.190 nan 0.000 0.431 68 R N 5.583 125.923 120.500 -0.267 0.000 2.246 68 R HA 0.598 4.938 4.340 -0.000 0.000 0.332 68 R C -1.098 175.149 176.300 -0.089 0.000 0.974 68 R CA -0.486 55.564 56.100 -0.083 0.000 0.837 68 R CB 0.799 31.045 30.300 -0.090 0.000 1.145 68 R HN 0.680 nan 8.270 nan 0.000 0.467 69 I N 5.609 126.208 120.570 0.049 0.000 2.307 69 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 69 I C -0.026 176.212 176.117 0.202 0.000 1.021 69 I CA -0.386 60.955 61.300 0.069 0.000 1.224 69 I CB 1.362 39.390 38.000 0.046 0.000 1.376 69 I HN 0.613 nan 8.210 nan 0.000 0.470 70 E N 5.165 125.492 120.200 0.211 0.000 2.288 70 E HA 0.393 4.743 4.350 -0.000 0.000 0.268 70 E C -0.542 176.256 176.600 0.330 0.000 0.885 70 E CA -0.752 55.823 56.400 0.290 0.000 0.767 70 E CB 2.496 32.317 29.700 0.203 0.000 1.220 70 E HN 0.556 nan 8.360 nan 0.000 0.427 71 H N 1.899 121.061 119.070 0.154 0.000 2.875 71 H HA 0.193 4.749 4.556 -0.000 0.000 0.305 71 H C -0.312 175.022 175.328 0.010 0.000 1.379 71 H CA -0.225 55.752 56.048 -0.118 0.000 2.034 71 H CB 0.223 29.691 29.762 -0.489 0.000 1.566 71 H HN 0.385 nan 8.280 nan 0.000 0.607 72 F N 1.544 121.351 119.950 -0.239 0.000 2.399 72 F HA 0.175 4.702 4.527 -0.000 0.000 0.342 72 F C 1.221 177.000 175.800 -0.036 0.000 1.106 72 F CA -0.147 57.719 58.000 -0.223 0.000 1.196 72 F CB 1.180 40.071 39.000 -0.183 0.000 1.163 72 F HN 0.420 nan 8.300 nan 0.000 0.547 73 Q N 1.036 120.921 119.800 0.141 0.000 2.219 73 Q HA 0.183 4.523 4.340 -0.000 0.000 0.209 73 Q C 1.610 177.636 176.000 0.043 0.000 0.854 73 Q CA 0.111 55.957 55.803 0.071 0.000 0.960 73 Q CB 0.668 29.417 28.738 0.017 0.000 1.116 73 Q HN 0.973 nan 8.270 nan 0.000 0.500 74 G N 0.177 109.000 108.800 0.037 0.000 3.042 74 G HA2 0.326 4.286 3.960 -0.000 0.000 0.212 74 G HA3 0.326 4.286 3.960 -0.000 0.000 0.212 74 G C 0.439 175.367 174.900 0.046 0.000 1.166 74 G CA 0.125 45.227 45.100 0.002 0.000 0.767 74 G HN 0.302 nan 8.290 nan 0.000 0.546 75 A N -0.051 122.835 122.820 0.110 0.000 2.425 75 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 75 A C 1.534 179.182 177.584 0.105 0.000 1.077 75 A CA -0.405 51.709 52.037 0.130 0.000 0.781 75 A CB 0.456 19.572 19.000 0.193 0.000 1.020 75 A HN 0.197 nan 8.150 nan 0.000 0.494 76 L N 0.794 122.076 121.223 0.097 0.000 2.042 76 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 76 L C 0.653 177.590 176.870 0.112 0.000 1.076 76 L CA 1.567 56.459 54.840 0.086 0.000 0.749 76 L CB -0.787 41.318 42.059 0.077 0.000 0.893 76 L HN 0.931 nan 8.230 nan 0.000 0.432 77 N N 1.048 119.840 118.700 0.154 0.000 2.667 77 N HA -0.168 4.572 4.740 -0.000 0.000 0.263 77 N C -0.607 175.022 175.510 0.198 0.000 1.038 77 N CA -0.204 52.975 53.050 0.214 0.000 0.749 77 N CB -0.969 37.653 38.487 0.226 0.000 0.892 77 N HN 0.403 nan 8.380 nan 0.000 0.546 78 N N 0.173 118.956 118.700 0.138 0.000 2.445 78 N HA 0.294 5.034 4.740 -0.000 0.000 0.264 78 N C 1.126 176.626 175.510 -0.017 0.000 1.227 78 N CA 0.165 53.265 53.050 0.083 0.000 0.963 78 N CB 0.731 39.249 38.487 0.052 0.000 1.188 78 N HN 0.335 nan 8.380 nan 0.000 0.491 79 G N 0.407 109.096 108.800 -0.184 0.000 2.489 79 G HA2 0.248 4.208 3.960 -0.000 0.000 0.271 79 G HA3 0.248 4.208 3.960 -0.000 0.000 0.271 79 G C -2.310 172.368 174.900 -0.369 0.000 1.427 79 G CA -0.525 44.181 45.100 -0.656 0.000 1.057 79 G HN 0.354 nan 8.290 nan 0.000 0.532 80 P HA 0.203 nan 4.420 nan 0.000 0.274 80 P C -0.985 175.830 177.300 -0.807 0.000 1.256 80 P CA 0.008 62.773 63.100 -0.558 0.000 0.795 80 P CB 0.999 32.441 31.700 -0.429 0.000 1.038 81 H N -0.796 118.084 119.070 -0.316 0.000 2.679 81 H HA 0.281 4.837 4.556 -0.000 0.000 0.367 81 H C 0.125 175.267 175.328 -0.310 0.000 1.162 81 H CA -0.375 55.499 56.048 -0.289 0.000 1.181 81 H CB 0.270 29.957 29.762 -0.125 0.000 1.693 81 H HN 0.340 nan 8.280 nan 0.000 0.538 82 Y N 1.972 122.184 120.300 -0.146 0.000 2.788 82 Y HA -0.022 4.528 4.550 -0.000 0.000 0.341 82 Y C -1.433 174.320 175.900 -0.246 0.000 1.258 82 Y CA -1.454 56.508 58.100 -0.231 0.000 1.503 82 Y CB -0.119 38.234 38.460 -0.178 0.000 1.325 82 Y HN 0.349 nan 8.280 nan 0.000 0.614 83 P HA 0.059 nan 4.420 nan 0.000 0.220 83 P C -0.762 176.379 177.300 -0.265 0.000 1.806 83 P CA -0.001 62.982 63.100 -0.195 0.000 0.976 83 P CB -0.237 31.300 31.700 -0.270 0.000 1.952 84 L N 1.771 122.830 121.223 -0.272 0.000 2.461 84 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 84 L C 1.016 177.742 176.870 -0.240 0.000 1.197 84 L CA 0.528 55.088 54.840 -0.467 0.000 0.836 84 L CB -0.324 41.441 42.059 -0.491 0.000 1.105 84 L HN 0.194 nan 8.230 nan 0.000 0.477 85 N N 3.508 122.082 118.700 -0.210 0.000 2.439 85 N HA 0.403 5.143 4.740 -0.000 0.000 0.249 85 N C -0.511 175.080 175.510 0.135 0.000 1.003 85 N CA -0.127 52.908 53.050 -0.024 0.000 0.942 85 N CB 1.530 39.998 38.487 -0.031 0.000 1.115 85 N HN 0.425 nan 8.380 nan 0.000 0.505 86 I N 3.584 124.220 120.570 0.111 0.000 2.411 86 I HA 0.293 4.463 4.170 -0.000 0.000 0.284 86 I C 0.120 176.299 176.117 0.102 0.000 1.012 86 I CA -0.596 60.798 61.300 0.157 0.000 1.119 86 I CB 1.387 39.504 38.000 0.195 0.000 1.261 86 I HN 0.155 nan 8.210 nan 0.000 0.448 87 L N 5.479 126.753 121.223 0.085 0.000 2.439 87 L HA 0.278 4.618 4.340 -0.000 0.000 0.261 87 L C 1.122 178.040 176.870 0.080 0.000 1.153 87 L CA -0.402 54.475 54.840 0.062 0.000 0.808 87 L CB 0.777 42.857 42.059 0.036 0.000 1.126 87 L HN 0.607 nan 8.230 nan 0.000 0.460 88 Q N 0.926 120.764 119.800 0.064 0.000 2.287 88 Q HA -0.025 4.315 4.340 -0.000 0.000 0.201 88 Q C 0.469 176.510 176.000 0.068 0.000 0.946 88 Q CA 0.722 56.567 55.803 0.070 0.000 0.868 88 Q CB 0.036 28.805 28.738 0.052 0.000 0.967 88 Q HN 0.758 nan 8.270 nan 0.000 0.516 89 D N 0.959 121.388 120.400 0.048 0.000 3.038 89 D HA 0.069 4.709 4.640 -0.000 0.000 0.243 89 D C -0.019 176.301 176.300 0.034 0.000 1.245 89 D CA -0.182 53.841 54.000 0.040 0.000 0.871 89 D CB -0.330 40.486 40.800 0.026 0.000 1.089 89 D HN -0.200 nan 8.370 nan 0.000 0.464 90 V N 0.567 120.509 119.914 0.047 0.000 2.614 90 V HA 0.018 4.138 4.120 -0.000 0.000 0.291 90 V C 0.974 177.079 176.094 0.019 0.000 1.049 90 V CA -0.678 61.640 62.300 0.030 0.000 1.038 90 V CB 1.070 32.919 31.823 0.043 0.000 0.980 90 V HN 0.199 nan 8.190 nan 0.000 0.481 91 K N 4.424 124.817 120.400 -0.012 0.000 2.363 91 K HA 0.382 4.702 4.320 -0.000 0.000 0.289 91 K C -0.567 175.987 176.600 -0.077 0.000 1.063 91 K CA -0.189 56.078 56.287 -0.034 0.000 0.967 91 K CB 0.478 32.954 32.500 -0.040 0.000 0.987 91 K HN 0.664 nan 8.250 nan 0.000 0.473 92 V N 0.346 120.205 119.914 -0.091 0.000 3.001 92 V HA 0.586 4.706 4.120 -0.000 0.000 0.314 92 V C -0.511 175.457 176.094 -0.209 0.000 1.099 92 V CA -0.808 61.354 62.300 -0.229 0.000 0.989 92 V CB 1.885 33.546 31.823 -0.269 0.000 1.040 92 V HN 0.611 nan 8.190 nan 0.000 0.434 93 T N 3.339 117.703 114.554 -0.317 0.000 2.824 93 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 93 T C -0.878 173.693 174.700 -0.214 0.000 0.993 93 T CA -0.335 61.644 62.100 -0.202 0.000 0.967 93 T CB 0.702 69.470 68.868 -0.168 0.000 0.960 93 T HN 0.679 nan 8.240 nan 0.000 0.441 94 I N 4.602 125.127 120.570 -0.076 0.000 2.439 94 I HA 0.381 4.551 4.170 -0.000 0.000 0.285 94 I C -0.375 175.742 176.117 0.000 0.000 1.021 94 I CA -0.749 60.554 61.300 0.006 0.000 1.091 94 I CB 1.823 39.889 38.000 0.110 0.000 1.242 94 I HN 0.658 nan 8.210 nan 0.000 0.439 95 E N 5.129 125.323 120.200 -0.009 0.000 2.216 95 E HA 0.384 4.734 4.350 -0.000 0.000 0.260 95 E C -1.224 175.378 176.600 0.003 0.000 0.880 95 E CA -0.894 55.502 56.400 -0.007 0.000 0.765 95 E CB 1.921 31.609 29.700 -0.019 0.000 1.174 95 E HN 0.416 nan 8.360 nan 0.000 0.417 96 N N 3.146 121.852 118.700 0.009 0.000 2.558 96 N HA 0.185 4.925 4.740 -0.000 0.000 0.242 96 N C -1.125 174.385 175.510 0.001 0.000 0.979 96 N CA -0.184 52.873 53.050 0.011 0.000 0.931 96 N CB 1.385 39.885 38.487 0.022 0.000 1.122 96 N HN 0.685 nan 8.380 nan 0.000 0.508 97 T N -0.147 114.405 114.554 -0.004 0.000 2.922 97 T HA 0.325 4.675 4.350 -0.000 0.000 0.281 97 T C 1.037 175.713 174.700 -0.040 0.000 1.005 97 T CA -0.449 61.635 62.100 -0.028 0.000 0.982 97 T CB 1.266 70.105 68.868 -0.048 0.000 1.158 97 T HN 0.260 nan 8.240 nan 0.000 0.566 98 E N -0.121 120.041 120.200 -0.063 0.000 2.153 98 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 98 E C 2.113 178.658 176.600 -0.092 0.000 0.988 98 E CA 1.334 57.694 56.400 -0.067 0.000 0.811 98 E CB -0.051 29.607 29.700 -0.069 0.000 0.746 98 E HN 0.663 nan 8.360 nan 0.000 0.466 99 R N -1.858 118.540 120.500 -0.171 0.000 2.167 99 R HA 0.136 4.476 4.340 -0.000 0.000 0.201 99 R C -0.085 176.098 176.300 -0.194 0.000 1.024 99 R CA 0.323 56.245 56.100 -0.296 0.000 1.053 99 R CB 0.365 30.309 30.300 -0.594 0.000 0.987 99 R HN 0.144 nan 8.270 nan 0.000 0.493 100 Y N -1.233 119.026 120.300 -0.068 0.000 2.609 100 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 100 Y C -0.849 174.989 175.900 -0.102 0.000 1.058 100 Y CA -1.738 56.299 58.100 -0.104 0.000 1.055 100 Y CB 2.243 40.632 38.460 -0.119 0.000 1.292 100 Y HN -0.045 nan 8.280 nan 0.000 0.476 101 A N 1.641 124.484 122.820 0.039 0.000 2.335 101 A HA 0.609 4.929 4.320 -0.000 0.000 0.304 101 A C -1.337 176.163 177.584 -0.139 0.000 1.118 101 A CA -0.531 51.482 52.037 -0.039 0.000 0.757 101 A CB 1.418 20.388 19.000 -0.050 0.000 1.188 101 A HN 0.751 nan 8.150 nan 0.000 0.460 102 E N 2.084 122.222 120.200 -0.105 0.000 2.263 102 E HA 0.502 4.852 4.350 -0.000 0.000 0.268 102 E C -1.994 174.556 176.600 -0.084 0.000 0.884 102 E CA -0.458 55.847 56.400 -0.159 0.000 0.766 102 E CB 1.459 31.080 29.700 -0.132 0.000 1.196 102 E HN 0.559 nan 8.360 nan 0.000 0.416 103 F N 4.079 123.863 119.950 -0.277 0.000 2.436 103 F HA 0.508 5.035 4.527 -0.000 0.000 0.340 103 F C -0.787 174.939 175.800 -0.124 0.000 1.113 103 F CA -0.440 57.462 58.000 -0.164 0.000 1.022 103 F CB 1.038 39.950 39.000 -0.148 0.000 1.128 103 F HN 0.285 nan 8.300 nan 0.000 0.466 104 K N 3.858 123.813 120.400 -0.743 0.000 2.468 104 K HA 0.566 4.886 4.320 -0.000 0.000 0.252 104 K C -1.708 174.544 176.600 -0.578 0.000 0.932 104 K CA -0.655 55.336 56.287 -0.492 0.000 0.794 104 K CB 1.873 34.208 32.500 -0.275 0.000 1.241 104 K HN 0.592 nan 8.250 nan 0.000 0.428 105 S N 2.663 118.173 115.700 -0.315 0.000 2.707 105 S HA 0.616 5.086 4.470 -0.000 0.000 0.303 105 S C 0.166 174.698 174.600 -0.114 0.000 1.132 105 S CA 0.512 58.590 58.200 -0.203 0.000 1.046 105 S CB 0.796 63.938 63.200 -0.097 0.000 1.004 105 S HN 1.073 nan 8.310 nan 0.000 0.483 106 G N 5.237 113.975 108.800 -0.104 0.000 2.565 106 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.295 106 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.295 106 G C 0.487 175.346 174.900 -0.070 0.000 1.165 106 G CA 0.713 45.769 45.100 -0.074 0.000 0.977 106 G HN 0.739 nan 8.290 nan 0.000 0.546 107 N N -0.074 118.595 118.700 -0.051 0.000 2.236 107 N HA 0.334 5.074 4.740 -0.000 0.000 0.196 107 N C 0.289 175.777 175.510 -0.038 0.000 1.114 107 N CA -0.229 52.795 53.050 -0.044 0.000 0.859 107 N CB 0.654 39.123 38.487 -0.031 0.000 0.982 107 N HN 0.387 nan 8.380 nan 0.000 0.493 108 L N 1.349 122.552 121.223 -0.033 0.000 2.309 108 L HA 0.441 4.781 4.340 -0.000 0.000 0.282 108 L C -0.283 176.581 176.870 -0.010 0.000 1.036 108 L CA -0.306 54.532 54.840 -0.004 0.000 0.806 108 L CB 1.333 43.405 42.059 0.023 0.000 1.220 108 L HN -0.066 nan 8.230 nan 0.000 0.429 109 S N 3.462 119.168 115.700 0.010 0.000 2.556 109 S HA 0.937 5.407 4.470 -0.000 0.000 0.271 109 S C -0.944 173.643 174.600 -0.023 0.000 1.135 109 S CA -0.412 57.773 58.200 -0.024 0.000 0.858 109 S CB 1.489 64.625 63.200 -0.107 0.000 1.114 109 S HN 1.042 nan 8.310 nan 0.000 0.468 110 A N 1.865 124.617 122.820 -0.113 0.000 2.288 110 A HA 0.822 5.142 4.320 -0.000 0.000 0.320 110 A C -0.141 177.103 177.584 -0.565 0.000 1.217 110 A CA -0.783 50.988 52.037 -0.443 0.000 0.840 110 A CB 0.844 19.568 19.000 -0.459 0.000 1.179 110 A HN 0.843 nan 8.150 nan 0.000 0.504 111 R N 2.705 122.839 120.500 -0.609 0.000 2.476 111 R HA 0.567 4.907 4.340 -0.000 0.000 0.305 111 R C -1.753 174.180 176.300 -0.612 0.000 0.965 111 R CA -0.338 55.427 56.100 -0.558 0.000 0.867 111 R CB 1.592 31.577 30.300 -0.526 0.000 1.176 111 R HN 0.507 nan 8.270 nan 0.000 0.447 112 V N 2.991 122.576 119.914 -0.549 0.000 2.427 112 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 112 V C 0.096 175.953 176.094 -0.396 0.000 1.034 112 V CA -0.579 61.377 62.300 -0.573 0.000 0.893 112 V CB 1.739 33.263 31.823 -0.498 0.000 0.982 112 V HN 0.742 nan 8.190 nan 0.000 0.452 113 S N 4.693 120.139 115.700 -0.423 0.000 2.489 113 S HA 0.368 4.838 4.470 -0.000 0.000 0.277 113 S C 0.114 174.708 174.600 -0.010 0.000 1.230 113 S CA -0.571 57.588 58.200 -0.067 0.000 1.053 113 S CB 0.457 63.637 63.200 -0.032 0.000 0.955 113 S HN 0.633 nan 8.310 nan 0.000 0.488 114 K N 1.587 122.047 120.400 0.099 0.000 2.102 114 K HA 0.651 4.971 4.320 -0.000 0.000 0.244 114 K C 0.965 177.622 176.600 0.094 0.000 1.021 114 K CA 0.044 56.386 56.287 0.091 0.000 0.913 114 K CB 0.567 33.101 32.500 0.058 0.000 1.062 114 K HN 0.830 nan 8.250 nan 0.000 0.485 115 G N 0.675 109.525 108.800 0.084 0.000 2.508 115 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 115 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 115 G C 0.538 175.448 174.900 0.017 0.000 1.287 115 G CA 0.256 45.379 45.100 0.038 0.000 0.916 115 G HN 0.714 nan 8.290 nan 0.000 0.574 116 E N -0.798 119.329 120.200 -0.120 0.000 2.158 116 E HA 0.103 4.452 4.350 -0.000 0.000 0.191 116 E C 0.301 176.713 176.600 -0.314 0.000 0.982 116 E CA 0.569 56.787 56.400 -0.304 0.000 0.823 116 E CB -0.027 29.318 29.700 -0.592 0.000 0.766 116 E HN 0.270 nan 8.360 nan 0.000 0.468 117 F N 1.379 121.394 119.950 0.109 0.000 2.291 117 F HA 0.189 4.716 4.527 -0.000 0.000 0.368 117 F C 0.074 175.965 175.800 0.151 0.000 1.085 117 F CA -1.124 56.948 58.000 0.119 0.000 1.165 117 F CB 0.129 39.174 39.000 0.075 0.000 1.429 117 F HN 0.086 nan 8.300 nan 0.000 0.503 118 W N 3.373 124.779 121.300 0.176 0.000 2.170 118 W HA 0.393 5.053 4.660 -0.000 0.000 0.342 118 W C -0.557 176.011 176.519 0.081 0.000 1.294 118 W CA 0.296 57.706 57.345 0.109 0.000 1.246 118 W CB 1.317 30.824 29.460 0.079 0.000 1.156 118 W HN 0.445 nan 8.180 nan 0.000 0.572 119 S N 6.061 121.269 115.700 -0.820 0.000 2.579 119 S HA 0.434 4.904 4.470 -0.000 0.000 0.290 119 S C -1.989 172.129 174.600 -0.803 0.000 1.123 119 S CA -0.844 57.021 58.200 -0.557 0.000 0.894 119 S CB 0.710 63.758 63.200 -0.253 0.000 1.095 119 S HN 0.563 nan 8.310 nan 0.000 0.450 120 L N 4.080 125.016 121.223 -0.479 0.000 2.349 120 L HA 0.662 5.001 4.340 -0.000 0.000 0.278 120 L C -1.462 175.170 176.870 -0.396 0.000 0.996 120 L CA -0.376 54.197 54.840 -0.446 0.000 0.825 120 L CB 1.145 43.106 42.059 -0.163 0.000 1.243 120 L HN 0.714 nan 8.230 nan 0.000 0.412 121 D N 4.452 124.535 120.400 -0.529 0.000 2.619 121 D HA 0.383 5.023 4.640 -0.000 0.000 0.241 121 D C -1.212 174.750 176.300 -0.563 0.000 1.087 121 D CA -0.143 53.607 54.000 -0.417 0.000 0.851 121 D CB 2.494 43.093 40.800 -0.335 0.000 1.474 121 D HN 0.155 nan 8.370 nan 0.000 0.478 122 F N 1.421 121.291 119.950 -0.134 0.000 2.444 122 F HA 0.372 4.899 4.527 -0.000 0.000 0.342 122 F C -0.094 175.617 175.800 -0.149 0.000 1.121 122 F CA -0.718 57.205 58.000 -0.129 0.000 0.997 122 F CB 1.198 40.126 39.000 -0.120 0.000 1.130 122 F HN -0.035 nan 8.300 nan 0.000 0.454 123 L N 3.352 124.583 121.223 0.013 0.000 2.354 123 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 123 L C -0.351 176.508 176.870 -0.018 0.000 1.005 123 L CA -0.887 53.933 54.840 -0.034 0.000 0.819 123 L CB 2.019 44.027 42.059 -0.085 0.000 1.311 123 L HN 0.579 nan 8.230 nan 0.000 0.423 124 R N 2.590 123.077 120.500 -0.022 0.000 2.337 124 R HA 0.281 4.621 4.340 -0.000 0.000 0.319 124 R C -0.366 175.920 176.300 -0.023 0.000 0.954 124 R CA -0.356 55.735 56.100 -0.015 0.000 0.840 124 R CB 0.588 30.888 30.300 -0.001 0.000 1.164 124 R HN 0.685 nan 8.270 nan 0.000 0.472 125 N N 2.885 121.567 118.700 -0.030 0.000 2.716 125 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 125 N C 0.627 176.117 175.510 -0.033 0.000 1.033 125 N CA 1.507 54.538 53.050 -0.032 0.000 0.727 125 N CB -0.875 37.598 38.487 -0.024 0.000 0.950 125 N HN 1.106 nan 8.380 nan 0.000 0.541 126 G N -1.162 107.613 108.800 -0.043 0.000 2.199 126 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 126 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 126 G C -0.146 174.726 174.900 -0.046 0.000 0.982 126 G CA 0.686 45.758 45.100 -0.047 0.000 0.632 126 G HN 0.578 nan 8.290 nan 0.000 0.529 127 E N -0.113 120.065 120.200 -0.038 0.000 2.214 127 E HA 0.537 4.887 4.350 -0.000 0.000 0.274 127 E C 0.188 176.764 176.600 -0.041 0.000 0.977 127 E CA -0.982 55.398 56.400 -0.034 0.000 0.827 127 E CB 1.456 31.145 29.700 -0.018 0.000 1.130 127 E HN 0.266 nan 8.360 nan 0.000 0.394 128 R N 3.172 123.645 120.500 -0.044 0.000 2.242 128 R HA 0.123 4.463 4.340 -0.000 0.000 0.334 128 R C 0.969 177.248 176.300 -0.035 0.000 1.071 128 R CA 0.013 56.084 56.100 -0.048 0.000 0.922 128 R CB 0.112 30.376 30.300 -0.059 0.000 1.023 128 R HN 0.700 nan 8.270 nan 0.000 0.458 129 I N -0.070 120.463 120.570 -0.061 0.000 2.703 129 I HA 0.211 4.381 4.170 -0.000 0.000 0.259 129 I C 0.673 176.689 176.117 -0.170 0.000 1.151 129 I CA 0.065 61.305 61.300 -0.100 0.000 1.470 129 I CB 0.373 38.265 38.000 -0.180 0.000 1.112 129 I HN 0.501 nan 8.210 nan 0.000 0.437 130 T N -1.033 113.425 114.554 -0.161 0.000 2.658 130 T HA 0.665 5.015 4.350 -0.000 0.000 0.305 130 T C -1.011 173.756 174.700 0.111 0.000 1.551 130 T CA 0.036 62.093 62.100 -0.072 0.000 0.985 130 T CB 1.273 69.986 68.868 -0.258 0.000 1.731 130 T HN 0.662 nan 8.240 nan 0.000 0.486 131 G N 0.440 109.354 108.800 0.191 0.000 2.313 131 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 131 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 131 G C -1.467 173.535 174.900 0.169 0.000 1.356 131 G CA 0.298 45.544 45.100 0.243 0.000 0.833 131 G HN 0.976 nan 8.290 nan 0.000 0.552 132 S N -0.537 115.239 115.700 0.126 0.000 2.498 132 S HA 0.583 5.053 4.470 -0.000 0.000 0.317 132 S C 0.017 174.665 174.600 0.079 0.000 1.090 132 S CA -0.384 57.876 58.200 0.100 0.000 1.089 132 S CB 1.031 64.320 63.200 0.148 0.000 0.997 132 S HN 0.566 nan 8.310 nan 0.000 0.470 133 Q N 1.798 121.631 119.800 0.056 0.000 2.317 133 Q HA 0.342 4.682 4.340 -0.000 0.000 0.229 133 Q C -0.022 176.056 176.000 0.130 0.000 0.984 133 Q CA -0.579 55.268 55.803 0.072 0.000 0.911 133 Q CB 1.078 29.831 28.738 0.025 0.000 1.217 133 Q HN 0.605 nan 8.270 nan 0.000 0.501 134 V N 2.186 122.221 119.914 0.202 0.000 2.617 134 V HA -0.102 4.018 4.120 -0.000 0.000 0.304 134 V C 0.126 176.181 176.094 -0.064 0.000 1.040 134 V CA 1.030 63.439 62.300 0.183 0.000 1.149 134 V CB -0.354 31.612 31.823 0.238 0.000 0.914 134 V HN 0.842 nan 8.190 nan 0.000 0.487 135 K N 3.330 123.569 120.400 -0.269 0.000 3.467 135 K HA -0.152 4.168 4.320 -0.000 0.000 0.309 135 K C 0.587 176.832 176.600 -0.591 0.000 1.350 135 K CA 1.101 56.964 56.287 -0.707 0.000 0.934 135 K CB -1.311 30.918 32.500 -0.450 0.000 1.312 135 K HN 0.818 nan 8.250 nan 0.000 0.461 136 N N 1.173 119.697 118.700 -0.294 0.000 2.230 136 N HA 0.015 4.755 4.740 -0.000 0.000 0.202 136 N C -0.427 174.867 175.510 -0.359 0.000 1.119 136 N CA 0.375 53.338 53.050 -0.145 0.000 0.851 136 N CB 0.267 38.712 38.487 -0.069 0.000 0.990 136 N HN 0.472 nan 8.380 nan 0.000 0.497 137 N N -0.892 117.409 118.700 -0.666 0.000 2.610 137 N HA 0.692 5.432 4.740 -0.000 0.000 0.264 137 N C 0.067 174.985 175.510 -0.986 0.000 1.348 137 N CA -0.522 51.852 53.050 -1.126 0.000 0.819 137 N CB 1.572 39.725 38.487 -0.558 0.000 1.521 137 N HN -0.023 nan 8.380 nan 0.000 0.497 138 G N -1.408 106.788 108.800 -1.006 0.000 2.334 138 G HA2 0.198 4.158 3.960 -0.000 0.000 0.249 138 G HA3 0.198 4.158 3.960 -0.000 0.000 0.249 138 G C -2.405 172.474 174.900 -0.034 0.000 1.327 138 G CA -0.824 43.971 45.100 -0.508 0.000 0.979 138 G HN 0.696 nan 8.290 nan 0.000 0.471 139 Y N 0.175 120.532 120.300 0.095 0.000 2.393 139 Y HA 0.676 5.226 4.550 -0.000 0.000 0.341 139 Y C -0.236 175.724 175.900 0.099 0.000 0.988 139 Y CA -0.847 57.307 58.100 0.091 0.000 1.078 139 Y CB 2.179 40.586 38.460 -0.087 0.000 1.203 139 Y HN 0.472 nan 8.280 nan 0.000 0.453 140 V N 6.327 126.090 119.914 -0.251 0.000 2.448 140 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 140 V C -0.750 175.085 176.094 -0.432 0.000 1.025 140 V CA -0.847 61.335 62.300 -0.197 0.000 0.859 140 V CB 1.511 33.303 31.823 -0.052 0.000 0.988 140 V HN 0.748 nan 8.190 nan 0.000 0.431 141 Q N 3.072 122.719 119.800 -0.255 0.000 2.394 141 Q HA 0.269 4.609 4.340 -0.000 0.000 0.259 141 Q C -0.960 174.994 176.000 -0.077 0.000 1.021 141 Q CA -0.509 55.172 55.803 -0.203 0.000 0.805 141 Q CB 1.156 29.854 28.738 -0.066 0.000 1.226 141 Q HN 0.786 nan 8.270 nan 0.000 0.476 142 D N 2.839 123.215 120.400 -0.041 0.000 2.339 142 D HA 0.090 4.730 4.640 -0.000 0.000 0.241 142 D C 0.091 176.387 176.300 -0.006 0.000 1.183 142 D CA 0.037 54.046 54.000 0.016 0.000 0.859 142 D CB 1.469 42.344 40.800 0.126 0.000 1.067 142 D HN 0.539 nan 8.370 nan 0.000 0.484 143 T N 3.005 117.555 114.554 -0.006 0.000 3.088 143 T HA -0.012 4.338 4.350 -0.000 0.000 0.259 143 T C 1.509 176.208 174.700 -0.001 0.000 1.122 143 T CA 0.161 62.259 62.100 -0.002 0.000 1.095 143 T CB 0.201 69.069 68.868 -0.000 0.000 0.930 143 T HN 0.406 nan 8.240 nan 0.000 0.508 144 N N 2.726 121.426 118.700 -0.000 0.000 2.250 144 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 144 N C 1.324 176.836 175.510 0.002 0.000 1.017 144 N CA 1.040 54.089 53.050 -0.001 0.000 0.866 144 N CB -0.078 38.406 38.487 -0.005 0.000 0.985 144 N HN 0.564 nan 8.380 nan 0.000 0.429 145 N N -0.050 118.654 118.700 0.007 0.000 2.170 145 N HA 0.009 4.749 4.740 -0.000 0.000 0.222 145 N C -0.527 174.977 175.510 -0.010 0.000 1.218 145 N CA 0.062 53.114 53.050 0.004 0.000 0.889 145 N CB 0.281 38.777 38.487 0.015 0.000 1.083 145 N HN -0.226 nan 8.380 nan 0.000 0.520 146 Q N -0.602 119.189 119.800 -0.015 0.000 2.494 146 Q HA -0.212 4.128 4.340 -0.000 0.000 0.272 146 Q C -0.901 175.057 176.000 -0.070 0.000 1.145 146 Q CA 0.866 56.654 55.803 -0.026 0.000 0.943 146 Q CB -2.441 26.290 28.738 -0.011 0.000 1.338 146 Q HN 0.660 nan 8.270 nan 0.000 0.492 147 R N 0.663 121.094 120.500 -0.115 0.000 2.589 147 R HA 0.569 4.909 4.340 -0.000 0.000 0.293 147 R C -0.039 175.975 176.300 -0.476 0.000 0.963 147 R CA -0.775 55.149 56.100 -0.294 0.000 0.905 147 R CB 1.108 31.211 30.300 -0.329 0.000 1.144 147 R HN 0.032 nan 8.270 nan 0.000 0.459 148 N N 2.178 120.504 118.700 -0.622 0.000 2.342 148 N HA 0.332 5.072 4.740 -0.000 0.000 0.293 148 N C -1.338 173.683 175.510 -0.816 0.000 1.026 148 N CA -0.380 52.274 53.050 -0.661 0.000 0.857 148 N CB 1.751 40.000 38.487 -0.397 0.000 1.256 148 N HN 0.400 nan 8.380 nan 0.000 0.484 149 Y N 0.317 120.378 120.300 -0.398 0.000 2.536 149 Y HA 0.533 5.083 4.550 -0.000 0.000 0.347 149 Y C 0.232 176.036 175.900 -0.160 0.000 1.000 149 Y CA -1.060 56.900 58.100 -0.234 0.000 1.051 149 Y CB 1.678 40.030 38.460 -0.179 0.000 1.259 149 Y HN 0.148 nan 8.280 nan 0.000 0.468 150 M N 3.429 123.114 119.600 0.142 0.000 2.383 150 M HA 0.457 4.937 4.480 -0.000 0.000 0.325 150 M C -1.081 175.338 176.300 0.198 0.000 1.092 150 M CA -0.801 54.601 55.300 0.169 0.000 0.961 150 M CB 1.339 34.016 32.600 0.129 0.000 1.672 150 M HN 0.750 nan 8.290 nan 0.000 0.438 151 F N 0.400 120.321 119.950 -0.047 0.000 2.664 151 F HA 0.915 5.442 4.527 -0.000 0.000 0.317 151 F C -1.149 174.510 175.800 -0.234 0.000 1.108 151 F CA -0.942 56.970 58.000 -0.148 0.000 0.957 151 F CB 1.635 40.531 39.000 -0.174 0.000 1.365 151 F HN 0.546 nan 8.300 nan 0.000 0.475 152 E N 0.512 120.417 120.200 -0.491 0.000 2.392 152 E HA 0.555 4.904 4.350 -0.000 0.000 0.279 152 E C -1.886 174.295 176.600 -0.698 0.000 0.964 152 E CA -0.733 55.232 56.400 -0.724 0.000 0.777 152 E CB 2.020 31.203 29.700 -0.862 0.000 1.249 152 E HN 0.738 nan 8.360 nan 0.000 0.449 153 R N 3.200 123.445 120.500 -0.426 0.000 2.521 153 R HA 0.422 4.762 4.340 -0.000 0.000 0.295 153 R C -0.783 175.440 176.300 -0.129 0.000 1.183 153 R CA -0.572 55.376 56.100 -0.252 0.000 0.957 153 R CB 0.910 31.160 30.300 -0.084 0.000 1.171 153 R HN 0.422 nan 8.270 nan 0.000 0.494 154 L N 3.256 124.443 121.223 -0.059 0.000 2.265 154 L HA 0.246 4.586 4.340 -0.000 0.000 0.288 154 L C 0.252 177.193 176.870 0.118 0.000 1.058 154 L CA -0.689 54.215 54.840 0.106 0.000 0.809 154 L CB 0.789 43.000 42.059 0.253 0.000 1.179 154 L HN 0.391 nan 8.230 nan 0.000 0.429 155 D N 3.625 124.085 120.400 0.099 0.000 2.390 155 D HA 0.244 4.884 4.640 -0.000 0.000 0.236 155 D C -0.238 176.134 176.300 0.121 0.000 1.189 155 D CA 0.521 54.568 54.000 0.078 0.000 0.887 155 D CB 1.022 41.855 40.800 0.054 0.000 1.198 155 D HN 0.254 nan 8.370 nan 0.000 0.444 156 L N 0.855 122.128 121.223 0.082 0.000 2.406 156 L HA 0.423 4.763 4.340 -0.000 0.000 0.272 156 L C 0.888 177.793 176.870 0.059 0.000 0.980 156 L CA -0.777 54.117 54.840 0.091 0.000 0.831 156 L CB 2.095 44.182 42.059 0.046 0.000 1.253 156 L HN 0.333 nan 8.230 nan 0.000 0.406 157 G N 1.902 110.745 108.800 0.072 0.000 2.621 157 G HA2 0.407 4.367 3.960 -0.000 0.000 0.271 157 G HA3 0.407 4.367 3.960 -0.000 0.000 0.271 157 G C -0.064 174.855 174.900 0.031 0.000 1.236 157 G CA -0.535 44.592 45.100 0.046 0.000 0.958 157 G HN 0.275 nan 8.290 nan 0.000 0.512 158 V N 0.717 120.644 119.914 0.022 0.000 2.694 158 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 158 V C 1.687 177.793 176.094 0.020 0.000 1.054 158 V CA 1.644 63.954 62.300 0.016 0.000 1.161 158 V CB 0.510 32.340 31.823 0.012 0.000 0.916 158 V HN 1.787 nan 8.190 nan 0.000 0.490 159 G N 3.458 112.270 108.800 0.019 0.000 2.203 159 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.263 159 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.263 159 G C 0.157 175.060 174.900 0.004 0.000 1.012 159 G CA 0.601 45.713 45.100 0.020 0.000 0.749 159 G HN 0.861 nan 8.290 nan 0.000 0.512 160 E N 0.935 121.138 120.200 0.005 0.000 2.259 160 E HA 0.551 4.901 4.350 -0.000 0.000 0.281 160 E C 0.610 177.177 176.600 -0.055 0.000 1.027 160 E CA 0.096 56.496 56.400 0.000 0.000 0.838 160 E CB 0.571 30.296 29.700 0.042 0.000 1.066 160 E HN 0.358 nan 8.360 nan 0.000 0.401 161 T N 0.270 114.769 114.554 -0.092 0.000 2.885 161 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 161 T C -0.374 174.151 174.700 -0.292 0.000 1.019 161 T CA -0.899 61.049 62.100 -0.252 0.000 1.010 161 T CB 1.501 70.126 68.868 -0.405 0.000 1.022 161 T HN 0.155 nan 8.240 nan 0.000 0.466 162 V N 2.675 122.309 119.914 -0.467 0.000 2.547 162 V HA 0.616 4.736 4.120 -0.000 0.000 0.299 162 V C -1.137 174.574 176.094 -0.640 0.000 1.040 162 V CA -0.775 61.302 62.300 -0.373 0.000 0.913 162 V CB 0.848 32.472 31.823 -0.332 0.000 0.992 162 V HN 0.950 nan 8.190 nan 0.000 0.449 163 Y N 1.133 121.342 120.300 -0.152 0.000 2.609 163 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 163 Y C 0.782 176.583 175.900 -0.164 0.000 1.058 163 Y CA 0.229 58.235 58.100 -0.157 0.000 1.055 163 Y CB 2.192 40.565 38.460 -0.146 0.000 1.292 163 Y HN 0.990 nan 8.280 nan 0.000 0.476 164 G N 0.088 108.893 108.800 0.009 0.000 2.475 164 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.223 164 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.223 164 G C -0.317 174.499 174.900 -0.139 0.000 1.201 164 G CA -0.298 44.769 45.100 -0.056 0.000 0.962 164 G HN 1.256 nan 8.290 nan 0.000 0.586 165 L N -0.293 120.844 121.223 -0.143 0.000 3.981 165 L HA 0.059 4.399 4.340 -0.000 0.000 0.403 165 L C 1.414 178.191 176.870 -0.155 0.000 1.192 165 L CA 1.287 55.995 54.840 -0.219 0.000 0.910 165 L CB -1.784 40.051 42.059 -0.374 0.000 2.088 165 L HN 2.968 nan 8.230 nan 0.000 0.769 166 G N 0.226 108.959 108.800 -0.111 0.000 2.660 166 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.247 166 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.247 166 G C -0.323 174.416 174.900 -0.268 0.000 1.328 166 G CA 0.141 45.148 45.100 -0.154 0.000 0.884 166 G HN 0.469 nan 8.290 nan 0.000 0.531 167 E N 0.942 120.928 120.200 -0.355 0.000 1.932 167 E HA 0.382 4.732 4.350 -0.000 0.000 0.275 167 E C 0.598 176.800 176.600 -0.663 0.000 1.159 167 E CA -0.217 55.888 56.400 -0.492 0.000 0.905 167 E CB -0.029 29.414 29.700 -0.428 0.000 1.059 167 E HN 0.488 nan 8.360 nan 0.000 0.400 168 R N 3.322 123.424 120.500 -0.663 0.000 2.778 168 R HA 0.334 4.674 4.340 -0.000 0.000 0.277 168 R C -0.254 175.582 176.300 -0.773 0.000 0.977 168 R CA -0.720 54.986 56.100 -0.658 0.000 0.950 168 R CB 0.817 30.929 30.300 -0.314 0.000 1.165 168 R HN 0.468 nan 8.270 nan 0.000 0.474 169 F N -0.275 119.658 119.950 -0.029 0.000 2.654 169 F HA 0.082 4.609 4.527 -0.000 0.000 0.303 169 F C 1.311 177.106 175.800 -0.008 0.000 1.099 169 F CA -0.458 57.541 58.000 -0.002 0.000 1.270 169 F CB 0.223 39.248 39.000 0.042 0.000 1.024 169 F HN 0.478 nan 8.300 nan 0.000 0.548 170 T N -1.198 113.391 114.554 0.059 0.000 2.771 170 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 170 T C 0.751 175.451 174.700 -0.000 0.000 1.005 170 T CA -0.599 61.519 62.100 0.030 0.000 0.944 170 T CB 0.686 69.547 68.868 -0.011 0.000 1.147 170 T HN 0.163 nan 8.240 nan 0.000 0.534 171 A N 0.304 123.117 122.820 -0.012 0.000 2.561 171 A HA 0.242 4.561 4.320 -0.000 0.000 0.234 171 A C 1.395 178.958 177.584 -0.035 0.000 1.055 171 A CA -0.374 51.654 52.037 -0.015 0.000 0.756 171 A CB -0.593 18.397 19.000 -0.017 0.000 0.986 171 A HN 0.974 nan 8.150 nan 0.000 0.505 172 L N 3.658 124.873 121.223 -0.012 0.000 2.012 172 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 172 L C 1.006 177.817 176.870 -0.098 0.000 1.073 172 L CA 1.808 56.639 54.840 -0.016 0.000 0.748 172 L CB -0.309 41.785 42.059 0.058 0.000 0.891 172 L HN 0.461 nan 8.230 nan 0.000 0.431 173 V N 1.014 120.845 119.914 -0.138 0.000 2.427 173 V HA 0.067 4.187 4.120 -0.000 0.000 0.268 173 V C 1.443 177.390 176.094 -0.245 0.000 1.046 173 V CA -0.133 61.948 62.300 -0.365 0.000 0.970 173 V CB 0.894 32.550 31.823 -0.278 0.000 1.001 173 V HN 0.315 nan 8.190 nan 0.000 0.476 174 R N 3.113 123.426 120.500 -0.312 0.000 2.241 174 R HA -0.027 4.313 4.340 -0.000 0.000 0.224 174 R C 0.589 176.778 176.300 -0.185 0.000 1.101 174 R CA 0.305 56.267 56.100 -0.230 0.000 0.995 174 R CB -0.507 29.631 30.300 -0.270 0.000 0.870 174 R HN 0.727 nan 8.270 nan 0.000 0.463 175 N N 0.248 118.835 118.700 -0.189 0.000 2.315 175 N HA 0.071 4.811 4.740 -0.000 0.000 0.270 175 N C 0.801 176.260 175.510 -0.085 0.000 1.329 175 N CA 1.533 54.507 53.050 -0.128 0.000 0.860 175 N CB 0.494 38.925 38.487 -0.093 0.000 1.095 175 N HN 0.358 nan 8.380 nan 0.000 0.487 176 G N 0.889 109.640 108.800 -0.081 0.000 2.179 176 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 176 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 176 G C -0.232 174.631 174.900 -0.062 0.000 0.990 176 G CA 0.188 45.249 45.100 -0.065 0.000 0.646 176 G HN 0.749 nan 8.290 nan 0.000 0.517 177 Q N -0.009 119.748 119.800 -0.071 0.000 2.433 177 Q HA 0.765 5.105 4.340 -0.000 0.000 0.279 177 Q C -0.939 175.033 176.000 -0.048 0.000 1.105 177 Q CA -0.758 55.010 55.803 -0.058 0.000 0.815 177 Q CB 1.753 30.454 28.738 -0.061 0.000 1.403 177 Q HN 0.080 nan 8.270 nan 0.000 0.435 178 T N 1.379 115.916 114.554 -0.028 0.000 2.837 178 T HA 0.512 4.862 4.350 -0.000 0.000 0.285 178 T C -0.577 174.130 174.700 0.011 0.000 0.984 178 T CA -0.619 61.481 62.100 -0.000 0.000 1.049 178 T CB 1.255 70.119 68.868 -0.007 0.000 0.947 178 T HN 0.579 nan 8.240 nan 0.000 0.472 179 V N 0.867 120.813 119.914 0.055 0.000 2.668 179 V HA 0.634 4.754 4.120 -0.000 0.000 0.304 179 V C -1.152 175.035 176.094 0.155 0.000 1.071 179 V CA -0.885 61.443 62.300 0.046 0.000 0.894 179 V CB 2.221 34.003 31.823 -0.068 0.000 1.008 179 V HN 0.729 nan 8.190 nan 0.000 0.425 180 E N 3.560 123.846 120.200 0.144 0.000 2.109 180 E HA 0.306 4.656 4.350 -0.000 0.000 0.278 180 E C 0.244 177.002 176.600 0.263 0.000 0.954 180 E CA -0.216 56.307 56.400 0.204 0.000 0.779 180 E CB 1.713 31.494 29.700 0.135 0.000 1.093 180 E HN 0.979 nan 8.360 nan 0.000 0.401 181 T N 1.157 115.914 114.554 0.340 0.000 3.474 181 T HA 0.180 4.530 4.350 -0.000 0.000 0.270 181 T C -0.225 174.764 174.700 0.482 0.000 1.079 181 T CA -0.679 61.627 62.100 0.343 0.000 1.110 181 T CB -0.309 68.782 68.868 0.372 0.000 1.087 181 T HN 0.426 nan 8.240 nan 0.000 0.784 182 W N 4.308 125.716 121.300 0.181 0.000 2.802 182 W HA 0.299 4.959 4.660 -0.000 0.000 0.331 182 W C -1.268 175.414 176.519 0.272 0.000 1.021 182 W CA -1.031 56.456 57.345 0.236 0.000 1.259 182 W CB 1.302 30.841 29.460 0.131 0.000 1.323 182 W HN 0.367 nan 8.180 nan 0.000 0.432 183 N N 4.950 123.701 118.700 0.085 0.000 2.412 183 N HA 0.146 4.886 4.740 -0.000 0.000 0.254 183 N C -0.310 175.254 175.510 0.091 0.000 1.232 183 N CA 0.695 53.763 53.050 0.030 0.000 0.880 183 N CB 0.694 39.116 38.487 -0.108 0.000 1.076 183 N HN 0.410 nan 8.380 nan 0.000 0.458 184 R N 0.119 120.680 120.500 0.101 0.000 2.739 184 R HA 0.227 4.567 4.340 -0.000 0.000 0.271 184 R C -1.337 174.985 176.300 0.037 0.000 1.010 184 R CA -0.778 55.402 56.100 0.134 0.000 0.897 184 R CB 1.505 31.908 30.300 0.171 0.000 1.236 184 R HN 0.365 nan 8.270 nan 0.000 0.466 185 D N 0.846 121.318 120.400 0.120 0.000 2.499 185 D HA 0.246 4.886 4.640 -0.000 0.000 0.225 185 D C -0.074 176.247 176.300 0.035 0.000 1.124 185 D CA 0.042 54.114 54.000 0.119 0.000 0.938 185 D CB 0.871 41.840 40.800 0.280 0.000 1.014 185 D HN 0.763 nan 8.370 nan 0.000 0.517 186 G N 1.407 110.096 108.800 -0.184 0.000 3.839 186 G HA2 0.498 4.458 3.960 -0.000 0.000 0.286 186 G HA3 0.498 4.458 3.960 -0.000 0.000 0.286 186 G C 0.764 175.627 174.900 -0.062 0.000 1.005 186 G CA 0.144 45.209 45.100 -0.058 0.000 0.824 186 G HN 0.775 nan 8.290 nan 0.000 0.489 187 G N 0.148 108.892 108.800 -0.093 0.000 2.632 187 G HA2 0.032 3.992 3.960 -0.000 0.000 0.224 187 G HA3 0.032 3.992 3.960 -0.000 0.000 0.224 187 G C 0.717 175.538 174.900 -0.132 0.000 1.341 187 G CA 0.627 45.751 45.100 0.041 0.000 0.880 187 G HN 1.266 nan 8.290 nan 0.000 0.566 188 T N -4.010 110.423 114.554 -0.201 0.000 3.091 188 T HA 0.541 4.891 4.350 -0.000 0.000 0.277 188 T C 1.306 175.706 174.700 -0.499 0.000 0.996 188 T CA 1.132 62.701 62.100 -0.884 0.000 0.897 188 T CB 0.387 68.720 68.868 -0.891 0.000 1.109 188 T HN 1.049 nan 8.240 nan 0.000 0.534 189 S N 1.798 117.434 115.700 -0.106 0.000 2.568 189 S HA 0.289 4.759 4.470 -0.000 0.000 0.232 189 S C 0.811 175.441 174.600 0.050 0.000 0.975 189 S CA -0.145 58.055 58.200 -0.000 0.000 0.949 189 S CB 0.342 63.543 63.200 0.001 0.000 0.829 189 S HN 0.882 nan 8.310 nan 0.000 0.479 190 T N -0.698 113.907 114.554 0.086 0.000 2.693 190 T HA 0.367 4.717 4.350 -0.000 0.000 0.278 190 T C 0.753 175.533 174.700 0.135 0.000 0.994 190 T CA -0.658 61.499 62.100 0.095 0.000 1.033 190 T CB 1.152 70.062 68.868 0.069 0.000 1.342 190 T HN -0.014 nan 8.240 nan 0.000 0.538 191 E N 0.177 120.430 120.200 0.088 0.000 2.418 191 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 191 E C 0.282 176.924 176.600 0.071 0.000 1.026 191 E CA 0.417 56.858 56.400 0.069 0.000 0.862 191 E CB -0.166 29.561 29.700 0.044 0.000 0.799 191 E HN 0.717 nan 8.360 nan 0.000 0.518 192 Q N 0.421 120.270 119.800 0.081 0.000 2.471 192 Q HA 0.523 4.863 4.340 -0.000 0.000 0.223 192 Q C -0.375 175.648 176.000 0.037 0.000 1.045 192 Q CA 0.167 56.005 55.803 0.059 0.000 0.956 192 Q CB 1.077 29.837 28.738 0.038 0.000 1.249 192 Q HN 0.263 nan 8.270 nan 0.000 0.549 193 A N 0.046 122.850 122.820 -0.027 0.000 2.604 193 A HA 0.437 4.757 4.320 -0.000 0.000 0.295 193 A C -1.243 176.281 177.584 -0.099 0.000 1.067 193 A CA -0.681 51.315 52.037 -0.069 0.000 0.683 193 A CB 0.413 19.367 19.000 -0.076 0.000 1.281 193 A HN 0.743 nan 8.150 nan 0.000 0.407 194 Y N 0.515 120.829 120.300 0.022 0.000 2.448 194 Y HA 0.173 4.723 4.550 -0.000 0.000 0.289 194 Y C 0.731 176.584 175.900 -0.077 0.000 1.114 194 Y CA 0.979 59.054 58.100 -0.041 0.000 1.235 194 Y CB 0.325 38.709 38.460 -0.126 0.000 1.045 194 Y HN 0.507 nan 8.280 nan 0.000 0.554 195 K N 1.618 122.043 120.400 0.042 0.000 2.540 195 K HA 0.232 4.551 4.320 -0.000 0.000 0.218 195 K C -1.057 175.492 176.600 -0.085 0.000 1.017 195 K CA -0.305 55.932 56.287 -0.084 0.000 1.029 195 K CB 0.586 32.912 32.500 -0.289 0.000 1.348 195 K HN 0.061 nan 8.250 nan 0.000 0.508 196 N N 3.337 122.042 118.700 0.008 0.000 2.498 196 N HA 0.379 5.119 4.740 -0.000 0.000 0.287 196 N C -0.586 174.974 175.510 0.083 0.000 1.097 196 N CA -0.165 52.914 53.050 0.048 0.000 0.973 196 N CB 1.442 40.010 38.487 0.134 0.000 1.153 196 N HN 0.333 nan 8.380 nan 0.000 0.472 197 I N 3.009 123.620 120.570 0.070 0.000 2.534 197 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 197 I C -2.241 173.944 176.117 0.114 0.000 1.094 197 I CA -1.778 59.585 61.300 0.105 0.000 1.055 197 I CB 2.223 40.290 38.000 0.111 0.000 1.225 197 I HN 0.213 nan 8.210 nan 0.000 0.435 198 P HA 0.125 nan 4.420 nan 0.000 0.237 198 P C -0.601 176.882 177.300 0.305 0.000 1.723 198 P CA 0.203 63.505 63.100 0.337 0.000 0.882 198 P CB -0.538 31.480 31.700 0.529 0.000 1.810 199 F N 2.752 122.673 119.950 -0.049 0.000 2.529 199 F HA 0.550 5.077 4.527 -0.000 0.000 0.320 199 F C -1.256 174.443 175.800 -0.169 0.000 1.118 199 F CA -1.247 56.655 58.000 -0.164 0.000 0.915 199 F CB 1.556 40.300 39.000 -0.427 0.000 1.161 199 F HN -0.027 nan 8.300 nan 0.000 0.445 200 Y N 5.038 124.670 120.300 -1.114 0.000 2.638 200 Y HA 0.852 5.402 4.550 -0.000 0.000 0.339 200 Y C -1.341 173.909 175.900 -1.082 0.000 1.084 200 Y CA -1.752 55.829 58.100 -0.864 0.000 1.068 200 Y CB 1.630 39.800 38.460 -0.484 0.000 1.294 200 Y HN 0.789 nan 8.280 nan 0.000 0.480 201 M N 1.032 120.366 119.600 -0.442 0.000 2.622 201 M HA 0.831 5.311 4.480 -0.000 0.000 0.276 201 M C -1.344 174.872 176.300 -0.140 0.000 1.265 201 M CA -0.683 54.350 55.300 -0.445 0.000 0.850 201 M CB 2.494 34.888 32.600 -0.343 0.000 1.720 201 M HN 0.911 nan 8.290 nan 0.000 0.465 202 T N -2.491 111.882 114.554 -0.302 0.000 2.887 202 T HA 0.431 4.781 4.350 -0.000 0.000 0.292 202 T C 0.261 174.906 174.700 -0.091 0.000 1.087 202 T CA -0.581 61.436 62.100 -0.138 0.000 1.009 202 T CB 1.233 69.922 68.868 -0.299 0.000 1.203 202 T HN 0.847 nan 8.240 nan 0.000 0.518 203 N N 0.043 118.765 118.700 0.037 0.000 2.501 203 N HA -0.041 4.699 4.740 -0.000 0.000 0.195 203 N C 0.975 176.480 175.510 -0.009 0.000 1.213 203 N CA -0.018 53.035 53.050 0.005 0.000 0.864 203 N CB -0.356 38.161 38.487 0.051 0.000 0.999 203 N HN 0.732 nan 8.380 nan 0.000 0.454 204 R N 0.031 120.519 120.500 -0.020 0.000 2.393 204 R HA 0.197 4.537 4.340 -0.000 0.000 0.244 204 R C 0.424 176.790 176.300 0.110 0.000 0.920 204 R CA 0.495 56.641 56.100 0.078 0.000 1.076 204 R CB -0.242 30.185 30.300 0.212 0.000 1.119 204 R HN 0.215 nan 8.270 nan 0.000 0.524 205 G N 0.743 109.543 108.800 -0.000 0.000 2.182 205 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 205 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 205 G C -0.624 174.333 174.900 0.096 0.000 1.042 205 G CA 0.627 45.743 45.100 0.028 0.000 0.775 205 G HN 0.502 nan 8.290 nan 0.000 0.501 206 Y N -2.456 117.821 120.300 -0.039 0.000 2.581 206 Y HA 0.760 5.310 4.550 -0.000 0.000 0.337 206 Y C 0.177 175.989 175.900 -0.147 0.000 1.108 206 Y CA -1.179 56.880 58.100 -0.068 0.000 1.033 206 Y CB 0.799 39.219 38.460 -0.067 0.000 1.318 206 Y HN 0.736 nan 8.280 nan 0.000 0.459 207 G N 0.387 109.129 108.800 -0.096 0.000 2.714 207 G HA2 0.671 4.631 3.960 -0.000 0.000 0.292 207 G HA3 0.671 4.631 3.960 -0.000 0.000 0.292 207 G C -1.840 172.863 174.900 -0.329 0.000 1.308 207 G CA -0.801 44.038 45.100 -0.436 0.000 0.964 207 G HN 1.568 nan 8.290 nan 0.000 0.484 208 V N -0.164 119.300 119.914 -0.750 0.000 2.777 208 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 208 V C -1.785 174.176 176.094 -0.221 0.000 1.112 208 V CA -0.930 61.156 62.300 -0.358 0.000 0.917 208 V CB 1.573 33.192 31.823 -0.340 0.000 1.018 208 V HN 0.961 nan 8.190 nan 0.000 0.426 209 L N 7.295 128.675 121.223 0.262 0.000 2.280 209 L HA 0.732 5.072 4.340 -0.000 0.000 0.287 209 L C -0.558 176.545 176.870 0.388 0.000 1.023 209 L CA -0.024 55.072 54.840 0.426 0.000 0.819 209 L CB 1.677 44.098 42.059 0.604 0.000 1.212 209 L HN 0.612 nan 8.230 nan 0.000 0.420 210 V N 5.028 125.098 119.914 0.259 0.000 2.389 210 V HA 0.187 4.307 4.120 -0.000 0.000 0.264 210 V C 0.643 176.944 176.094 0.344 0.000 1.049 210 V CA -0.454 61.960 62.300 0.191 0.000 0.932 210 V CB 0.634 32.425 31.823 -0.054 0.000 1.011 210 V HN 0.810 nan 8.190 nan 0.000 0.475 211 N N 4.577 123.449 118.700 0.287 0.000 3.193 211 N HA 0.017 4.757 4.740 -0.000 0.000 0.312 211 N C -0.387 174.940 175.510 -0.304 0.000 1.261 211 N CA 0.178 53.356 53.050 0.213 0.000 1.208 211 N CB -0.485 38.240 38.487 0.397 0.000 1.471 211 N HN 0.676 nan 8.380 nan 0.000 0.548 212 H N 0.375 119.547 119.070 0.169 0.000 3.013 212 H HA 0.229 4.785 4.556 -0.000 0.000 0.326 212 H C -1.905 173.351 175.328 -0.120 0.000 0.973 212 H CA -1.416 54.619 56.048 -0.023 0.000 1.369 212 H CB 2.109 31.897 29.762 0.044 0.000 1.598 212 H HN 0.225 nan 8.280 nan 0.000 0.518 213 P HA -0.147 nan 4.420 nan 0.000 0.217 213 P C 1.041 178.446 177.300 0.174 0.000 1.151 213 P CA 1.019 63.977 63.100 -0.238 0.000 0.828 213 P CB 0.500 31.964 31.700 -0.394 0.000 0.788 214 Q N 0.003 119.919 119.800 0.194 0.000 2.631 214 Q HA -0.024 4.316 4.340 -0.000 0.000 0.210 214 Q C 0.170 176.408 176.000 0.396 0.000 1.094 214 Q CA -0.186 55.817 55.803 0.333 0.000 1.055 214 Q CB -0.668 28.203 28.738 0.222 0.000 1.261 214 Q HN 0.035 nan 8.270 nan 0.000 0.615 215 C N 1.079 120.645 119.300 0.442 0.000 2.634 215 C HA 0.324 4.784 4.460 -0.000 0.000 0.418 215 C C -0.020 175.096 174.990 0.210 0.000 1.373 215 C CA -0.279 58.950 59.018 0.352 0.000 1.756 215 C CB -0.932 26.825 27.740 0.029 0.000 2.589 215 C HN 0.477 nan 8.230 nan 0.000 0.602 216 V N 6.591 126.665 119.914 0.266 0.000 2.495 216 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 216 V C 0.107 176.311 176.094 0.184 0.000 1.031 216 V CA -0.179 62.227 62.300 0.175 0.000 0.871 216 V CB 1.968 33.932 31.823 0.236 0.000 0.988 216 V HN 0.930 nan 8.190 nan 0.000 0.432 217 S N 5.054 120.772 115.700 0.030 0.000 2.448 217 S HA 0.690 5.160 4.470 -0.000 0.000 0.320 217 S C -0.973 173.634 174.600 0.013 0.000 1.071 217 S CA -0.386 57.849 58.200 0.059 0.000 1.113 217 S CB -0.065 63.107 63.200 -0.047 0.000 0.972 217 S HN 0.361 nan 8.310 nan 0.000 0.465 218 F N 2.738 122.715 119.950 0.044 0.000 2.422 218 F HA 0.488 5.015 4.527 -0.000 0.000 0.333 218 F C 0.852 176.635 175.800 -0.030 0.000 1.095 218 F CA -0.769 57.254 58.000 0.039 0.000 1.038 218 F CB 1.404 40.407 39.000 0.006 0.000 1.156 218 F HN 0.422 nan 8.300 nan 0.000 0.483 219 E N 2.864 123.138 120.200 0.123 0.000 2.489 219 E HA 0.208 4.558 4.350 -0.000 0.000 0.232 219 E C -1.017 175.582 176.600 -0.003 0.000 0.990 219 E CA -0.300 56.111 56.400 0.018 0.000 0.768 219 E CB 1.613 31.285 29.700 -0.046 0.000 1.270 219 E HN 0.264 nan 8.360 nan 0.000 0.423 220 V N 1.519 121.419 119.914 -0.022 0.000 2.302 220 V HA 0.154 4.274 4.120 -0.000 0.000 0.244 220 V C 1.485 177.522 176.094 -0.096 0.000 1.160 220 V CA 0.665 62.906 62.300 -0.098 0.000 1.127 220 V CB -0.217 31.503 31.823 -0.172 0.000 1.253 220 V HN 0.901 nan 8.190 nan 0.000 0.496 221 G N 4.455 113.206 108.800 -0.082 0.000 2.187 221 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 221 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 221 G C 0.963 175.821 174.900 -0.069 0.000 1.000 221 G CA 0.823 45.879 45.100 -0.073 0.000 0.718 221 G HN 0.973 nan 8.290 nan 0.000 0.519 222 S N -1.571 114.089 115.700 -0.066 0.000 2.486 222 S HA 0.288 4.758 4.470 -0.000 0.000 0.220 222 S C 1.551 176.108 174.600 -0.071 0.000 1.011 222 S CA 1.104 59.266 58.200 -0.064 0.000 0.921 222 S CB 0.498 63.664 63.200 -0.055 0.000 0.785 222 S HN 0.634 nan 8.310 nan 0.000 0.517 223 E N 1.050 121.202 120.200 -0.080 0.000 2.110 223 E HA 0.157 4.507 4.350 -0.000 0.000 0.194 223 E C -0.389 176.152 176.600 -0.098 0.000 0.944 223 E CA 0.139 56.482 56.400 -0.096 0.000 0.899 223 E CB 0.415 30.045 29.700 -0.117 0.000 0.907 223 E HN 0.058 nan 8.360 nan 0.000 0.473 224 K N 2.314 122.657 120.400 -0.094 0.000 2.264 224 K HA 0.110 4.429 4.320 -0.000 0.000 0.277 224 K C 1.082 177.636 176.600 -0.076 0.000 1.067 224 K CA 0.012 56.244 56.287 -0.091 0.000 0.900 224 K CB 1.651 34.099 32.500 -0.086 0.000 1.124 224 K HN 0.218 nan 8.250 nan 0.000 0.469 225 V N 0.693 120.562 119.914 -0.075 0.000 2.469 225 V HA -0.215 3.905 4.120 -0.000 0.000 0.251 225 V C 1.333 177.396 176.094 -0.052 0.000 1.064 225 V CA 2.141 64.403 62.300 -0.063 0.000 1.066 225 V CB -0.671 31.116 31.823 -0.060 0.000 0.667 225 V HN 0.651 nan 8.190 nan 0.000 0.461 226 S N -1.028 114.643 115.700 -0.048 0.000 2.622 226 S HA 0.440 4.910 4.470 -0.000 0.000 0.236 226 S C 0.150 174.738 174.600 -0.020 0.000 0.956 226 S CA -0.562 57.619 58.200 -0.031 0.000 0.971 226 S CB -0.403 62.780 63.200 -0.029 0.000 0.782 226 S HN 0.779 nan 8.310 nan 0.000 0.468 227 K N -0.059 120.322 120.400 -0.032 0.000 2.536 227 K HA 0.573 4.893 4.320 -0.000 0.000 0.269 227 K C -1.732 174.845 176.600 -0.038 0.000 0.965 227 K CA -0.804 55.471 56.287 -0.021 0.000 0.860 227 K CB 2.408 34.890 32.500 -0.030 0.000 1.423 227 K HN -0.021 nan 8.250 nan 0.000 0.438 228 V N 2.513 122.416 119.914 -0.018 0.000 2.294 228 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 228 V C -0.421 175.666 176.094 -0.011 0.000 1.027 228 V CA -0.506 61.775 62.300 -0.032 0.000 0.823 228 V CB 0.975 32.727 31.823 -0.118 0.000 1.030 228 V HN 0.611 nan 8.190 nan 0.000 0.457 229 Q N 5.553 125.324 119.800 -0.049 0.000 2.257 229 Q HA 0.601 4.941 4.340 -0.000 0.000 0.255 229 Q C -1.506 174.427 176.000 -0.113 0.000 0.920 229 Q CA -0.518 55.190 55.803 -0.159 0.000 0.927 229 Q CB 1.404 30.072 28.738 -0.117 0.000 1.229 229 Q HN 0.688 nan 8.270 nan 0.000 0.433 230 F N 0.613 120.450 119.950 -0.188 0.000 2.556 230 F HA 0.726 5.253 4.527 -0.000 0.000 0.314 230 F C -0.900 174.771 175.800 -0.215 0.000 1.106 230 F CA -0.939 56.813 58.000 -0.413 0.000 0.911 230 F CB 1.679 40.182 39.000 -0.829 0.000 1.190 230 F HN 0.428 nan 8.300 nan 0.000 0.448 231 S N 1.933 117.612 115.700 -0.035 0.000 2.569 231 S HA 0.874 5.344 4.470 -0.000 0.000 0.280 231 S C -1.640 172.951 174.600 -0.015 0.000 1.111 231 S CA -0.814 57.388 58.200 0.002 0.000 0.887 231 S CB 1.753 64.906 63.200 -0.080 0.000 1.095 231 S HN 1.408 nan 8.310 nan 0.000 0.476 232 V N 0.645 120.567 119.914 0.013 0.000 2.971 232 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 232 V C -0.999 175.129 176.094 0.056 0.000 1.130 232 V CA -0.755 61.526 62.300 -0.031 0.000 0.964 232 V CB 1.946 33.594 31.823 -0.292 0.000 1.029 232 V HN 1.127 nan 8.190 nan 0.000 0.427 233 E N 3.507 123.745 120.200 0.065 0.000 2.029 233 E HA 0.521 4.871 4.350 -0.000 0.000 0.276 233 E C -0.550 175.951 176.600 -0.165 0.000 1.163 233 E CA 0.244 56.574 56.400 -0.117 0.000 0.909 233 E CB 0.426 30.020 29.700 -0.177 0.000 1.046 233 E HN 0.784 nan 8.360 nan 0.000 0.406 234 S N 2.976 118.577 115.700 -0.164 0.000 2.595 234 S HA 0.137 4.607 4.470 -0.000 0.000 0.270 234 S C -0.183 174.432 174.600 0.025 0.000 1.145 234 S CA -0.682 57.439 58.200 -0.132 0.000 0.825 234 S CB 1.395 64.366 63.200 -0.382 0.000 1.107 234 S HN 0.499 nan 8.310 nan 0.000 0.461 235 E N 0.539 120.835 120.200 0.161 0.000 2.479 235 E HA 0.206 4.556 4.350 -0.000 0.000 0.193 235 E C -0.578 176.259 176.600 0.396 0.000 1.049 235 E CA 0.447 57.044 56.400 0.329 0.000 0.870 235 E CB 0.202 30.112 29.700 0.351 0.000 0.944 235 E HN 0.574 nan 8.360 nan 0.000 0.492 236 Y N -1.902 118.518 120.300 0.199 0.000 2.597 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.340 236 Y C -1.570 174.468 175.900 0.230 0.000 1.097 236 Y CA -1.728 56.495 58.100 0.205 0.000 1.037 236 Y CB 0.946 39.512 38.460 0.177 0.000 1.305 236 Y HN -0.213 nan 8.280 nan 0.000 0.463 237 L N 2.736 124.169 121.223 0.350 0.000 2.406 237 L HA 0.599 4.939 4.340 -0.000 0.000 0.272 237 L C -1.318 175.870 176.870 0.531 0.000 0.980 237 L CA -0.514 54.565 54.840 0.398 0.000 0.831 237 L CB 1.901 44.134 42.059 0.290 0.000 1.253 237 L HN 0.897 nan 8.230 nan 0.000 0.406 238 E N 4.082 124.628 120.200 0.576 0.000 2.199 238 E HA 0.556 4.906 4.350 -0.000 0.000 0.265 238 E C -1.888 174.843 176.600 0.219 0.000 0.882 238 E CA -0.620 55.938 56.400 0.264 0.000 0.759 238 E CB 1.372 31.204 29.700 0.219 0.000 1.148 238 E HN 0.577 nan 8.360 nan 0.000 0.412 239 Y N 1.493 121.749 120.300 -0.072 0.000 2.615 239 Y HA 0.700 5.250 4.550 -0.000 0.000 0.341 239 Y C -1.742 173.967 175.900 -0.319 0.000 1.089 239 Y CA -1.544 56.526 58.100 -0.050 0.000 1.049 239 Y CB 1.062 39.574 38.460 0.086 0.000 1.296 239 Y HN 0.273 nan 8.280 nan 0.000 0.470 240 F N 1.153 121.220 119.950 0.194 0.000 2.518 240 F HA 0.606 5.133 4.527 -0.000 0.000 0.323 240 F C -0.773 175.048 175.800 0.035 0.000 1.129 240 F CA -1.215 56.802 58.000 0.028 0.000 0.920 240 F CB 2.210 41.269 39.000 0.097 0.000 1.160 240 F HN 0.358 nan 8.300 nan 0.000 0.440 241 V N 5.165 125.111 119.914 0.053 0.000 2.432 241 V HA 0.368 4.488 4.120 -0.000 0.000 0.275 241 V C 0.134 176.243 176.094 0.025 0.000 1.043 241 V CA -0.506 61.750 62.300 -0.073 0.000 0.925 241 V CB 1.207 32.751 31.823 -0.465 0.000 0.985 241 V HN 0.528 nan 8.190 nan 0.000 0.466 242 I N 3.609 124.225 120.570 0.077 0.000 2.378 242 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 242 I C -0.303 175.867 176.117 0.089 0.000 0.992 242 I CA -0.526 60.827 61.300 0.089 0.000 1.154 242 I CB 1.838 39.948 38.000 0.183 0.000 1.315 242 I HN 0.528 nan 8.210 nan 0.000 0.448 243 D N 4.128 124.559 120.400 0.052 0.000 2.304 243 D HA 0.375 5.015 4.640 -0.000 0.000 0.247 243 D C 0.628 176.958 176.300 0.048 0.000 1.089 243 D CA 0.113 54.147 54.000 0.057 0.000 0.910 243 D CB 1.787 42.601 40.800 0.024 0.000 1.199 243 D HN 0.613 nan 8.370 nan 0.000 0.426 244 G N 1.959 110.793 108.800 0.057 0.000 2.722 244 G HA2 0.078 4.038 3.960 -0.000 0.000 0.201 244 G HA3 0.078 4.038 3.960 -0.000 0.000 0.201 244 G C -1.264 173.642 174.900 0.010 0.000 1.926 244 G CA -0.054 45.063 45.100 0.029 0.000 0.872 244 G HN 0.611 nan 8.290 nan 0.000 0.581 245 P HA 0.088 nan 4.420 nan 0.000 0.242 245 P C 0.369 177.673 177.300 0.006 0.000 1.197 245 P CA 1.012 64.124 63.100 0.020 0.000 0.765 245 P CB -0.070 31.639 31.700 0.015 0.000 0.936 246 T N -4.921 109.625 114.554 -0.013 0.000 2.918 246 T HA 0.439 4.789 4.350 -0.000 0.000 0.286 246 T C -2.237 172.435 174.700 -0.046 0.000 1.026 246 T CA -2.351 59.729 62.100 -0.033 0.000 1.031 246 T CB 2.041 70.883 68.868 -0.044 0.000 1.046 246 T HN -0.352 nan 8.240 nan 0.000 0.479 247 P HA -0.097 nan 4.420 nan 0.000 0.216 247 P C 1.302 178.560 177.300 -0.070 0.000 1.153 247 P CA 1.334 64.380 63.100 -0.090 0.000 0.858 247 P CB 0.086 31.702 31.700 -0.141 0.000 0.789 248 K N -0.840 119.515 120.400 -0.076 0.000 2.097 248 K HA -0.037 4.282 4.320 -0.000 0.000 0.205 248 K C 2.126 178.692 176.600 -0.057 0.000 1.050 248 K CA 1.344 57.586 56.287 -0.074 0.000 0.938 248 K CB -0.556 31.893 32.500 -0.084 0.000 0.718 248 K HN 0.057 nan 8.250 nan 0.000 0.442 249 A N 1.154 123.947 122.820 -0.045 0.000 1.898 249 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 249 A C 2.383 179.958 177.584 -0.014 0.000 1.181 249 A CA 1.298 53.315 52.037 -0.033 0.000 0.620 249 A CB -0.672 18.312 19.000 -0.026 0.000 0.819 249 A HN 0.048 nan 8.150 nan 0.000 0.442 250 V N 0.255 120.171 119.914 0.004 0.000 2.255 250 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 250 V C 2.574 178.709 176.094 0.068 0.000 1.051 250 V CA 2.146 64.477 62.300 0.052 0.000 1.018 250 V CB -0.876 30.985 31.823 0.063 0.000 0.641 250 V HN 0.574 nan 8.190 nan 0.000 0.445 251 L N 0.036 121.274 121.223 0.025 0.000 2.083 251 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 251 L C 2.475 179.322 176.870 -0.038 0.000 1.083 251 L CA 1.755 56.591 54.840 -0.007 0.000 0.752 251 L CB -0.694 41.332 42.059 -0.055 0.000 0.899 251 L HN 0.417 nan 8.230 nan 0.000 0.433 252 D N 0.493 120.863 120.400 -0.050 0.000 2.097 252 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 252 D C 2.304 178.561 176.300 -0.071 0.000 0.989 252 D CA 1.499 55.455 54.000 -0.073 0.000 0.827 252 D CB 0.096 40.857 40.800 -0.065 0.000 0.966 252 D HN 0.158 nan 8.370 nan 0.000 0.456 253 R N -1.119 119.358 120.500 -0.038 0.000 2.066 253 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 253 R C 2.443 178.726 176.300 -0.028 0.000 1.131 253 R CA 1.170 57.246 56.100 -0.039 0.000 0.955 253 R CB -0.648 29.637 30.300 -0.024 0.000 0.851 253 R HN 0.305 nan 8.270 nan 0.000 0.432 254 Y N 2.048 122.269 120.300 -0.132 0.000 2.114 254 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 254 Y C 2.496 178.239 175.900 -0.262 0.000 1.165 254 Y CA 2.159 60.127 58.100 -0.221 0.000 1.148 254 Y CB -0.601 37.547 38.460 -0.520 0.000 0.972 254 Y HN 0.134 nan 8.280 nan 0.000 0.504 255 T N -1.599 112.704 114.554 -0.418 0.000 2.951 255 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 255 T C 2.031 176.507 174.700 -0.374 0.000 1.073 255 T CA 1.102 62.899 62.100 -0.505 0.000 1.134 255 T CB -0.412 68.248 68.868 -0.347 0.000 0.884 255 T HN 0.422 nan 8.240 nan 0.000 0.479 256 R N -0.631 119.728 120.500 -0.236 0.000 2.090 256 R HA 0.003 4.343 4.340 -0.000 0.000 0.228 256 R C 2.124 178.349 176.300 -0.125 0.000 1.110 256 R CA 0.933 56.938 56.100 -0.159 0.000 0.973 256 R CB -0.407 29.831 30.300 -0.103 0.000 0.869 256 R HN 0.404 nan 8.270 nan 0.000 0.440 257 F N 1.349 121.086 119.950 -0.355 0.000 2.128 257 F HA -0.093 4.434 4.527 -0.000 0.000 0.295 257 F C 2.217 177.744 175.800 -0.456 0.000 1.100 257 F CA 2.061 59.834 58.000 -0.377 0.000 1.260 257 F CB -0.637 38.128 39.000 -0.391 0.000 1.009 257 F HN 0.119 nan 8.300 nan 0.000 0.476 258 T N -2.565 111.536 114.554 -0.754 0.000 3.015 258 T HA 0.504 4.854 4.350 -0.000 0.000 0.250 258 T C 0.864 175.175 174.700 -0.648 0.000 1.057 258 T CA 0.412 61.989 62.100 -0.872 0.000 1.066 258 T CB 0.038 68.221 68.868 -1.141 0.000 0.959 258 T HN 0.554 nan 8.240 nan 0.000 0.488 259 G N 1.106 109.558 108.800 -0.581 0.000 2.158 259 G HA2 0.332 4.292 3.960 -0.000 0.000 0.238 259 G HA3 0.332 4.292 3.960 -0.000 0.000 0.238 259 G C -1.486 173.139 174.900 -0.459 0.000 1.723 259 G CA -1.239 43.573 45.100 -0.479 0.000 0.911 259 G HN 0.234 nan 8.290 nan 0.000 0.741 260 R N 1.820 122.112 120.500 -0.348 0.000 2.298 260 R HA 0.404 4.744 4.340 -0.000 0.000 0.310 260 R C -2.437 173.691 176.300 -0.287 0.000 1.068 260 R CA -2.000 53.929 56.100 -0.284 0.000 0.957 260 R CB 0.738 30.924 30.300 -0.190 0.000 1.003 260 R HN 0.296 nan 8.270 nan 0.000 0.454 261 P HA -0.028 nan 4.420 nan 0.000 0.265 261 P C -0.464 176.811 177.300 -0.041 0.000 1.193 261 P CA 0.318 63.316 63.100 -0.169 0.000 0.765 261 P CB 0.602 32.238 31.700 -0.108 0.000 0.823 262 A N 3.409 126.201 122.820 -0.046 0.000 2.313 262 A HA 0.359 4.679 4.320 -0.000 0.000 0.261 262 A C -0.358 177.328 177.584 0.170 0.000 1.090 262 A CA -0.266 51.809 52.037 0.063 0.000 0.807 262 A CB -0.111 18.963 19.000 0.122 0.000 1.055 262 A HN 0.557 nan 8.150 nan 0.000 0.492 263 L N 2.183 123.490 121.223 0.140 0.000 2.261 263 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 263 L C -2.278 174.627 176.870 0.060 0.000 1.059 263 L CA -1.879 53.006 54.840 0.076 0.000 0.816 263 L CB 0.483 42.567 42.059 0.042 0.000 1.191 263 L HN 0.352 nan 8.230 nan 0.000 0.431 264 P HA 0.297 nan 4.420 nan 0.000 0.274 264 P C -2.683 174.703 177.300 0.144 0.000 1.231 264 P CA -1.286 61.774 63.100 -0.067 0.000 0.790 264 P CB -0.125 31.363 31.700 -0.354 0.000 0.951 265 P HA -0.020 nan 4.420 nan 0.000 0.269 265 P C 0.344 177.672 177.300 0.048 0.000 1.209 265 P CA 0.094 63.121 63.100 -0.121 0.000 0.776 265 P CB 0.654 31.995 31.700 -0.598 0.000 0.876 266 A N 4.521 127.389 122.820 0.079 0.000 1.917 266 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 266 A C 2.092 179.853 177.584 0.295 0.000 1.182 266 A CA 1.832 53.895 52.037 0.044 0.000 0.633 266 A CB -1.850 17.041 19.000 -0.181 0.000 0.819 266 A HN 0.855 nan 8.150 nan 0.000 0.448 267 W N 0.837 122.230 121.300 0.155 0.000 2.350 267 W HA -0.179 4.481 4.660 -0.000 0.000 0.289 267 W C 1.906 178.510 176.519 0.142 0.000 1.215 267 W CA 1.386 58.788 57.345 0.095 0.000 1.236 267 W CB -1.326 28.147 29.460 0.022 0.000 1.130 267 W HN 0.529 nan 8.180 nan 0.000 0.541 268 S N 0.683 116.362 115.700 -0.035 0.000 2.469 268 S HA -0.209 4.261 4.470 -0.000 0.000 0.238 268 S C 1.393 176.107 174.600 0.191 0.000 0.998 268 S CA 0.886 59.137 58.200 0.086 0.000 0.957 268 S CB -1.403 61.639 63.200 -0.264 0.000 0.764 268 S HN 0.219 nan 8.310 nan 0.000 0.514 269 F N 2.564 122.562 119.950 0.081 0.000 2.802 269 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 269 F C 1.963 177.797 175.800 0.056 0.000 1.168 269 F CA -0.116 57.832 58.000 -0.087 0.000 1.433 269 F CB -0.648 38.302 39.000 -0.084 0.000 1.115 269 F HN 0.331 nan 8.300 nan 0.000 0.582 270 G N 0.072 109.022 108.800 0.250 0.000 2.516 270 G HA2 0.300 4.260 3.960 -0.000 0.000 0.276 270 G HA3 0.300 4.260 3.960 -0.000 0.000 0.276 270 G C -0.974 174.178 174.900 0.419 0.000 1.390 270 G CA -0.529 44.642 45.100 0.118 0.000 1.050 270 G HN 0.003 nan 8.290 nan 0.000 0.519 271 L N -0.855 120.725 121.223 0.595 0.000 2.326 271 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 271 L C -1.262 175.832 176.870 0.374 0.000 1.092 271 L CA -0.906 54.193 54.840 0.431 0.000 0.810 271 L CB 0.850 43.088 42.059 0.298 0.000 1.153 271 L HN 0.437 nan 8.230 nan 0.000 0.439 272 W N 6.088 127.400 121.300 0.021 0.000 2.606 272 W HA 0.608 5.268 4.660 -0.000 0.000 0.332 272 W C -0.741 175.702 176.519 -0.127 0.000 1.052 272 W CA -0.609 56.686 57.345 -0.084 0.000 1.223 272 W CB 1.350 30.662 29.460 -0.246 0.000 1.383 272 W HN 0.267 nan 8.180 nan 0.000 0.524 273 L N 2.792 124.041 121.223 0.044 0.000 2.381 273 L HA 0.708 5.048 4.340 -0.000 0.000 0.268 273 L C -0.611 176.130 176.870 -0.215 0.000 0.997 273 L CA -0.227 54.596 54.840 -0.029 0.000 0.818 273 L CB 2.129 44.215 42.059 0.045 0.000 1.310 273 L HN 0.457 nan 8.230 nan 0.000 0.416 274 T N 0.201 114.648 114.554 -0.178 0.000 2.942 274 T HA 0.374 4.724 4.350 -0.000 0.000 0.289 274 T C 1.099 175.677 174.700 -0.203 0.000 1.044 274 T CA 0.303 62.257 62.100 -0.243 0.000 1.023 274 T CB 1.292 70.305 68.868 0.241 0.000 1.123 274 T HN 0.805 nan 8.240 nan 0.000 0.512 275 T N 0.221 114.605 114.554 -0.282 0.000 3.118 275 T HA 0.284 4.634 4.350 -0.000 0.000 0.260 275 T C 0.790 175.470 174.700 -0.033 0.000 1.139 275 T CA 0.456 62.450 62.100 -0.177 0.000 1.085 275 T CB -0.408 67.946 68.868 -0.856 0.000 0.934 275 T HN 0.779 nan 8.240 nan 0.000 0.518 276 S N -0.522 115.177 115.700 -0.003 0.000 3.960 276 S HA -0.142 4.328 4.470 -0.000 0.000 0.671 276 S C -0.089 174.648 174.600 0.227 0.000 1.405 276 S CA -0.018 58.156 58.200 -0.044 0.000 1.519 276 S CB -1.410 61.776 63.200 -0.025 0.000 0.362 276 S HN 0.394 nan 8.310 nan 0.000 1.244 277 F N 2.112 122.079 119.950 0.029 0.000 2.044 277 F HA 0.144 4.671 4.527 -0.000 0.000 0.287 277 F C 2.494 178.565 175.800 0.451 0.000 1.155 277 F CA 2.249 60.424 58.000 0.293 0.000 1.152 277 F CB -1.051 38.126 39.000 0.295 0.000 1.013 277 F HN 0.754 nan 8.300 nan 0.000 0.478 278 T N -1.078 113.400 114.554 -0.126 0.000 3.251 278 T HA 0.248 4.598 4.350 -0.000 0.000 0.259 278 T C 0.364 174.927 174.700 -0.229 0.000 0.998 278 T CA 0.137 62.066 62.100 -0.284 0.000 0.905 278 T CB -1.525 67.096 68.868 -0.411 0.000 1.067 278 T HN 0.355 nan 8.240 nan 0.000 0.569 279 T N -0.038 114.486 114.554 -0.049 0.000 2.874 279 T HA 0.488 4.838 4.350 -0.000 0.000 0.281 279 T C 0.010 174.733 174.700 0.038 0.000 0.994 279 T CA -0.882 61.163 62.100 -0.091 0.000 1.015 279 T CB 0.554 69.293 68.868 -0.215 0.000 1.028 279 T HN 0.227 nan 8.240 nan 0.000 0.523 280 N N 0.726 119.451 118.700 0.042 0.000 2.467 280 N HA 0.566 5.306 4.740 -0.000 0.000 0.262 280 N C -1.149 174.567 175.510 0.343 0.000 1.234 280 N CA -0.301 52.741 53.050 -0.013 0.000 0.952 280 N CB 0.357 38.826 38.487 -0.030 0.000 1.158 280 N HN 0.857 nan 8.380 nan 0.000 0.463 281 Y N -2.223 118.152 120.300 0.125 0.000 2.527 281 Y HA 0.380 4.930 4.550 -0.000 0.000 0.328 281 Y C -1.939 174.026 175.900 0.108 0.000 1.216 281 Y CA -1.348 56.867 58.100 0.192 0.000 1.152 281 Y CB 0.734 39.431 38.460 0.394 0.000 1.342 281 Y HN 0.520 nan 8.280 nan 0.000 0.465 282 D N 0.652 121.169 120.400 0.196 0.000 2.812 282 D HA 0.184 4.824 4.640 -0.000 0.000 0.318 282 D C 0.436 176.801 176.300 0.108 0.000 1.234 282 D CA -0.432 53.467 54.000 -0.168 0.000 0.989 282 D CB 1.300 41.954 40.800 -0.244 0.000 1.442 282 D HN 0.763 nan 8.370 nan 0.000 0.537 283 E N -0.183 120.046 120.200 0.049 0.000 2.070 283 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 283 E C 1.951 178.589 176.600 0.064 0.000 1.004 283 E CA 1.900 58.426 56.400 0.210 0.000 0.805 283 E CB -0.341 29.444 29.700 0.140 0.000 0.744 283 E HN 0.483 nan 8.360 nan 0.000 0.451 284 A N 0.093 122.904 122.820 -0.015 0.000 1.908 284 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 284 A C 2.359 179.864 177.584 -0.131 0.000 1.181 284 A CA 2.215 54.210 52.037 -0.070 0.000 0.627 284 A CB -0.964 17.989 19.000 -0.078 0.000 0.818 284 A HN 0.408 nan 8.150 nan 0.000 0.445 285 T N -0.616 113.861 114.554 -0.128 0.000 2.821 285 T HA -0.066 4.283 4.350 -0.000 0.000 0.267 285 T C 1.840 176.299 174.700 -0.401 0.000 1.046 285 T CA 1.263 63.176 62.100 -0.312 0.000 1.139 285 T CB -0.471 68.290 68.868 -0.178 0.000 0.871 285 T HN 0.146 nan 8.240 nan 0.000 0.454 286 V N 2.869 122.709 119.914 -0.124 0.000 2.220 286 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 286 V C 2.558 178.465 176.094 -0.312 0.000 1.049 286 V CA 1.691 63.857 62.300 -0.223 0.000 1.003 286 V CB -0.633 31.085 31.823 -0.174 0.000 0.634 286 V HN 0.478 nan 8.190 nan 0.000 0.444 287 N N 0.023 118.591 118.700 -0.220 0.000 2.137 287 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 287 N C 2.153 177.570 175.510 -0.155 0.000 1.017 287 N CA 1.843 54.785 53.050 -0.180 0.000 0.859 287 N CB -0.428 37.984 38.487 -0.124 0.000 1.002 287 N HN 0.512 nan 8.380 nan 0.000 0.428 288 S N 0.348 115.925 115.700 -0.206 0.000 2.359 288 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 288 S C 1.815 176.384 174.600 -0.052 0.000 1.035 288 S CA 0.951 59.032 58.200 -0.200 0.000 1.018 288 S CB -0.268 62.730 63.200 -0.337 0.000 0.876 288 S HN 0.168 nan 8.310 nan 0.000 0.448 289 F N 1.610 121.551 119.950 -0.015 0.000 2.102 289 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 289 F C 2.248 178.104 175.800 0.093 0.000 1.105 289 F CA 0.409 58.471 58.000 0.103 0.000 1.239 289 F CB -0.995 37.998 39.000 -0.012 0.000 0.991 289 F HN 0.223 nan 8.300 nan 0.000 0.474 290 I N 0.008 120.644 120.570 0.109 0.000 2.127 290 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 290 I C 2.087 178.211 176.117 0.011 0.000 1.075 290 I CA 1.659 62.956 61.300 -0.005 0.000 1.334 290 I CB -0.516 37.383 38.000 -0.169 0.000 1.040 290 I HN 0.083 nan 8.210 nan 0.000 0.405 291 D N 0.861 121.246 120.400 -0.025 0.000 2.144 291 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 291 D C 2.169 178.441 176.300 -0.046 0.000 0.978 291 D CA 1.543 55.513 54.000 -0.049 0.000 0.833 291 D CB -0.499 40.254 40.800 -0.077 0.000 0.961 291 D HN 0.435 nan 8.370 nan 0.000 0.470 292 G N 0.681 109.470 108.800 -0.018 0.000 2.432 292 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 292 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 292 G C 1.596 176.462 174.900 -0.056 0.000 1.135 292 G CA 0.431 45.416 45.100 -0.191 0.000 0.767 292 G HN 0.131 nan 8.290 nan 0.000 0.550 293 M N 0.731 120.465 119.600 0.224 0.000 2.160 293 M HA 0.141 4.621 4.480 -0.000 0.000 0.264 293 M C 3.088 179.442 176.300 0.089 0.000 1.073 293 M CA 1.229 56.683 55.300 0.256 0.000 1.142 293 M CB -0.982 31.742 32.600 0.206 0.000 1.358 293 M HN 0.301 nan 8.290 nan 0.000 0.422 294 A N 0.637 123.474 122.820 0.027 0.000 1.883 294 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 294 A C 1.990 179.560 177.584 -0.024 0.000 1.186 294 A CA 1.909 53.939 52.037 -0.013 0.000 0.624 294 A CB -0.828 18.150 19.000 -0.036 0.000 0.822 294 A HN 0.578 nan 8.150 nan 0.000 0.444 295 E N -0.490 119.679 120.200 -0.051 0.000 2.097 295 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 295 E C 1.906 178.474 176.600 -0.053 0.000 1.000 295 E CA 1.302 57.658 56.400 -0.074 0.000 0.804 295 E CB -0.181 29.441 29.700 -0.131 0.000 0.740 295 E HN 0.541 nan 8.360 nan 0.000 0.454 296 R N 0.666 121.146 120.500 -0.033 0.000 2.320 296 R HA 0.082 4.422 4.340 -0.000 0.000 0.211 296 R C -0.148 176.176 176.300 0.040 0.000 0.931 296 R CA -0.003 56.104 56.100 0.012 0.000 1.071 296 R CB -0.013 30.326 30.300 0.066 0.000 1.025 296 R HN 0.126 nan 8.270 nan 0.000 0.495 297 N N 1.008 119.722 118.700 0.023 0.000 2.738 297 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 297 N C -1.091 174.448 175.510 0.048 0.000 1.047 297 N CA 0.903 53.968 53.050 0.024 0.000 0.707 297 N CB -1.222 37.276 38.487 0.018 0.000 0.937 297 N HN 0.294 nan 8.380 nan 0.000 0.545 298 L N 0.416 121.677 121.223 0.064 0.000 2.301 298 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 298 L C -2.022 174.868 176.870 0.033 0.000 1.022 298 L CA -1.627 53.263 54.840 0.083 0.000 0.854 298 L CB 1.226 43.371 42.059 0.142 0.000 1.226 298 L HN -0.260 nan 8.230 nan 0.000 0.429 299 P HA 0.026 nan 4.420 nan 0.000 0.265 299 P C -0.947 176.212 177.300 -0.236 0.000 1.187 299 P CA 0.112 63.166 63.100 -0.077 0.000 0.766 299 P CB 0.687 32.440 31.700 0.090 0.000 0.820 300 L N 3.870 124.762 121.223 -0.552 0.000 2.482 300 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 300 L C -0.291 176.105 176.870 -0.791 0.000 0.957 300 L CA -0.424 54.122 54.840 -0.490 0.000 0.836 300 L CB 1.720 43.678 42.059 -0.168 0.000 1.324 300 L HN 0.522 nan 8.230 nan 0.000 0.406 301 H N 2.812 121.867 119.070 -0.024 0.000 3.205 301 H HA 0.434 4.990 4.556 -0.000 0.000 0.252 301 H C -0.334 174.853 175.328 -0.235 0.000 1.015 301 H CA -0.050 55.947 56.048 -0.086 0.000 1.192 301 H CB 1.216 30.979 29.762 0.002 0.000 1.474 301 H HN 0.200 nan 8.280 nan 0.000 0.484 302 V N 0.977 120.746 119.914 -0.242 0.000 2.760 302 V HA 0.256 4.376 4.120 -0.000 0.000 0.309 302 V C -1.533 174.392 176.094 -0.281 0.000 1.077 302 V CA -0.987 61.022 62.300 -0.485 0.000 0.910 302 V CB 2.622 33.680 31.823 -1.274 0.000 1.008 302 V HN 0.102 nan 8.190 nan 0.000 0.424 303 F N 3.533 123.269 119.950 -0.356 0.000 2.467 303 F HA 0.701 5.227 4.527 -0.000 0.000 0.336 303 F C -0.388 175.265 175.800 -0.245 0.000 1.123 303 F CA -0.540 57.289 58.000 -0.285 0.000 0.964 303 F CB 1.321 40.128 39.000 -0.322 0.000 1.136 303 F HN 0.717 nan 8.300 nan 0.000 0.447 304 H N 5.605 123.965 119.070 -1.183 0.000 2.476 304 H HA 0.437 4.993 4.556 -0.000 0.000 0.328 304 H C -1.666 173.152 175.328 -0.851 0.000 1.073 304 H CA -0.730 54.875 56.048 -0.739 0.000 1.229 304 H CB 0.666 30.176 29.762 -0.420 0.000 1.432 304 H HN 0.475 nan 8.280 nan 0.000 0.477 305 F N 4.179 123.597 119.950 -0.886 0.000 2.391 305 F HA 0.181 4.708 4.527 -0.000 0.000 0.359 305 F C 0.742 176.181 175.800 -0.602 0.000 1.122 305 F CA -0.429 57.233 58.000 -0.564 0.000 1.120 305 F CB 0.721 39.534 39.000 -0.313 0.000 1.142 305 F HN 0.648 nan 8.300 nan 0.000 0.483 306 D N 1.206 121.514 120.400 -0.154 0.000 2.403 306 D HA 0.128 4.768 4.640 -0.000 0.000 0.278 306 D C 1.279 177.711 176.300 0.220 0.000 1.230 306 D CA -0.305 53.774 54.000 0.133 0.000 1.062 306 D CB 0.649 41.649 40.800 0.333 0.000 1.119 306 D HN 0.567 nan 8.370 nan 0.000 0.557 307 C N -0.382 118.684 119.300 -0.389 0.000 2.353 307 C HA -0.229 4.231 4.460 -0.000 0.000 0.272 307 C C 2.407 176.796 174.990 -1.002 0.000 1.165 307 C CA 0.577 58.752 59.018 -1.404 0.000 1.786 307 C CB -1.372 24.985 27.740 -2.305 0.000 2.071 307 C HN 0.510 nan 8.230 nan 0.000 0.451 308 F N 1.580 121.472 119.950 -0.096 0.000 2.788 308 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 308 F C 2.028 178.020 175.800 0.321 0.000 1.229 308 F CA 0.398 58.455 58.000 0.095 0.000 1.446 308 F CB -0.913 38.017 39.000 -0.116 0.000 1.118 308 F HN 0.625 nan 8.300 nan 0.000 0.579 309 W N -1.017 120.448 121.300 0.274 0.000 2.937 309 W HA 0.211 4.871 4.660 -0.000 0.000 0.245 309 W C -0.087 176.487 176.519 0.092 0.000 1.306 309 W CA 0.063 57.515 57.345 0.179 0.000 1.470 309 W CB -0.631 28.565 29.460 -0.440 0.000 1.132 309 W HN -0.008 nan 8.180 nan 0.000 0.675 310 M N 1.276 120.675 119.600 -0.335 0.000 2.664 310 M HA 0.307 4.787 4.480 -0.000 0.000 0.314 310 M C 0.079 176.415 176.300 0.061 0.000 1.200 310 M CA -0.802 54.301 55.300 -0.328 0.000 0.916 310 M CB 2.647 34.828 32.600 -0.699 0.000 1.717 310 M HN -0.381 nan 8.290 nan 0.000 0.470 311 K N 1.259 121.706 120.400 0.078 0.000 2.436 311 K HA 0.298 4.618 4.320 -0.000 0.000 0.275 311 K C -0.081 176.486 176.600 -0.055 0.000 0.999 311 K CA -0.305 56.023 56.287 0.069 0.000 0.980 311 K CB 0.421 32.952 32.500 0.052 0.000 0.919 311 K HN 0.718 nan 8.250 nan 0.000 0.484 312 A N 2.544 125.252 122.820 -0.186 0.000 2.555 312 A HA 0.079 4.399 4.320 -0.000 0.000 0.233 312 A C 0.143 177.277 177.584 -0.750 0.000 1.060 312 A CA 0.042 51.655 52.037 -0.707 0.000 0.759 312 A CB -0.514 18.045 19.000 -0.736 0.000 0.995 312 A HN 0.769 nan 8.150 nan 0.000 0.506 313 F N -1.506 117.910 119.950 -0.889 0.000 2.890 313 F HA -0.271 4.256 4.527 -0.000 0.000 0.346 313 F C 1.335 176.902 175.800 -0.387 0.000 0.660 313 F CA 1.885 59.517 58.000 -0.613 0.000 1.091 313 F CB -1.869 36.907 39.000 -0.373 0.000 1.535 313 F HN 0.746 nan 8.300 nan 0.000 0.314 314 Q N -1.584 118.094 119.800 -0.203 0.000 2.179 314 Q HA 0.048 4.388 4.340 -0.000 0.000 0.213 314 Q C -0.209 175.877 176.000 0.143 0.000 0.833 314 Q CA -0.443 55.369 55.803 0.016 0.000 0.990 314 Q CB 0.247 29.013 28.738 0.048 0.000 1.132 314 Q HN 0.284 nan 8.270 nan 0.000 0.493 315 W N 0.761 122.029 121.300 -0.054 0.000 2.549 315 W HA -0.108 4.552 4.660 -0.000 0.000 0.343 315 W C 0.610 177.233 176.519 0.172 0.000 1.278 315 W CA -0.362 56.980 57.345 -0.004 0.000 1.277 315 W CB -0.443 29.006 29.460 -0.017 0.000 1.249 315 W HN 0.239 nan 8.180 nan 0.000 0.572 316 C N 4.334 123.791 119.300 0.261 0.000 4.617 316 C HA -0.233 4.227 4.460 -0.000 0.000 0.314 316 C C 1.092 176.007 174.990 -0.125 0.000 1.194 316 C CA 0.583 59.548 59.018 -0.088 0.000 2.250 316 C CB -2.080 25.677 27.740 0.028 0.000 1.219 316 C HN 0.719 nan 8.230 nan 0.000 0.723 317 D N -0.888 119.478 120.400 -0.056 0.000 2.433 317 D HA 0.185 4.825 4.640 -0.000 0.000 0.211 317 D C 0.789 177.251 176.300 0.270 0.000 1.114 317 D CA -0.144 54.014 54.000 0.263 0.000 0.837 317 D CB -0.323 40.646 40.800 0.282 0.000 0.984 317 D HN 0.538 nan 8.370 nan 0.000 0.505 318 F N -0.031 119.965 119.950 0.077 0.000 3.057 318 F HA -0.210 4.316 4.527 -0.000 0.000 0.287 318 F C 0.120 175.968 175.800 0.080 0.000 0.834 318 F CA 0.320 58.353 58.000 0.055 0.000 1.147 318 F CB -2.097 36.940 39.000 0.062 0.000 1.245 318 F HN 0.018 nan 8.300 nan 0.000 0.509 319 E N 0.197 120.439 120.200 0.070 0.000 2.133 319 E HA 0.390 4.740 4.350 -0.000 0.000 0.274 319 E C -0.735 175.965 176.600 0.166 0.000 0.930 319 E CA -0.624 55.891 56.400 0.191 0.000 0.770 319 E CB 0.487 30.299 29.700 0.187 0.000 1.104 319 E HN 0.161 nan 8.360 nan 0.000 0.403 320 W N 3.462 124.982 121.300 0.366 0.000 2.322 320 W HA 0.040 4.700 4.660 -0.000 0.000 0.328 320 W C 0.563 177.267 176.519 0.309 0.000 1.395 320 W CA -0.054 57.549 57.345 0.429 0.000 1.267 320 W CB 0.421 30.100 29.460 0.366 0.000 1.259 320 W HN 0.428 nan 8.180 nan 0.000 0.560 321 D N 5.515 126.245 120.400 0.550 0.000 2.368 321 D HA -0.012 4.628 4.640 -0.000 0.000 0.268 321 D C -1.454 175.072 176.300 0.377 0.000 1.298 321 D CA -1.440 52.792 54.000 0.386 0.000 0.938 321 D CB 1.113 42.132 40.800 0.366 0.000 1.101 321 D HN 0.096 nan 8.370 nan 0.000 0.509 322 P HA -0.061 nan 4.420 nan 0.000 0.226 322 P C 1.005 178.378 177.300 0.122 0.000 1.146 322 P CA 0.822 64.037 63.100 0.193 0.000 0.773 322 P CB 0.205 31.994 31.700 0.149 0.000 0.772 323 L N -2.857 118.424 121.223 0.097 0.000 2.616 323 L HA 0.137 4.477 4.340 -0.000 0.000 0.229 323 L C 1.360 178.207 176.870 -0.037 0.000 1.110 323 L CA 0.811 55.668 54.840 0.027 0.000 0.884 323 L CB -0.282 41.787 42.059 0.016 0.000 1.115 323 L HN -0.070 nan 8.230 nan 0.000 0.481 324 T N -1.130 113.391 114.554 -0.054 0.000 2.955 324 T HA 0.228 4.578 4.350 -0.000 0.000 0.251 324 T C -0.015 174.277 174.700 -0.680 0.000 1.002 324 T CA 0.255 62.143 62.100 -0.354 0.000 0.970 324 T CB 0.389 69.036 68.868 -0.368 0.000 1.091 324 T HN -0.035 nan 8.240 nan 0.000 0.495 325 F N 0.996 121.067 119.950 0.202 0.000 2.708 325 F HA 0.383 4.910 4.527 -0.000 0.000 0.344 325 F C -2.408 173.428 175.800 0.061 0.000 1.447 325 F CA -2.344 55.746 58.000 0.150 0.000 1.140 325 F CB 1.319 40.497 39.000 0.295 0.000 1.657 325 F HN -0.112 nan 8.300 nan 0.000 0.598 326 P HA -0.155 nan 4.420 nan 0.000 0.218 326 P C 0.177 177.490 177.300 0.022 0.000 1.148 326 P CA 1.537 64.679 63.100 0.069 0.000 0.822 326 P CB 0.313 32.030 31.700 0.030 0.000 0.784 327 D N -2.646 117.745 120.400 -0.016 0.000 2.443 327 D HA 0.177 4.817 4.640 -0.000 0.000 0.281 327 D C -1.994 174.182 176.300 -0.206 0.000 1.210 327 D CA -2.282 51.665 54.000 -0.088 0.000 0.875 327 D CB 0.292 41.056 40.800 -0.060 0.000 1.125 327 D HN -0.137 nan 8.370 nan 0.000 0.503 328 P HA -0.163 nan 4.420 nan 0.000 0.214 328 P C 0.908 177.850 177.300 -0.598 0.000 1.163 328 P CA 1.263 63.829 63.100 -0.889 0.000 0.889 328 P CB 0.416 31.237 31.700 -1.465 0.000 0.790 329 E N -0.690 119.279 120.200 -0.385 0.000 2.051 329 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 329 E C 2.322 178.813 176.600 -0.182 0.000 0.991 329 E CA 1.648 57.904 56.400 -0.240 0.000 0.799 329 E CB -1.491 28.116 29.700 -0.156 0.000 0.748 329 E HN 0.222 nan 8.360 nan 0.000 0.449 330 G N 0.965 109.672 108.800 -0.154 0.000 2.446 330 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.217 330 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.217 330 G C 1.585 176.423 174.900 -0.104 0.000 1.168 330 G CA 1.081 46.117 45.100 -0.108 0.000 0.771 330 G HN 0.235 nan 8.290 nan 0.000 0.551 331 M N -0.006 119.522 119.600 -0.120 0.000 2.159 331 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 331 M C 2.384 178.644 176.300 -0.067 0.000 1.063 331 M CA 1.433 56.690 55.300 -0.071 0.000 1.110 331 M CB -0.213 32.364 32.600 -0.038 0.000 1.374 331 M HN 0.264 nan 8.290 nan 0.000 0.411 332 I N -0.278 120.213 120.570 -0.132 0.000 2.286 332 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 332 I C 2.465 178.531 176.117 -0.084 0.000 1.104 332 I CA 1.013 62.258 61.300 -0.093 0.000 1.397 332 I CB -0.442 37.470 38.000 -0.147 0.000 1.072 332 I HN 0.306 nan 8.210 nan 0.000 0.417 333 R N 0.642 121.084 120.500 -0.097 0.000 2.091 333 R HA -0.155 4.184 4.340 -0.000 0.000 0.238 333 R C 2.444 178.696 176.300 -0.079 0.000 1.136 333 R CA 1.334 57.382 56.100 -0.087 0.000 0.959 333 R CB -0.336 29.915 30.300 -0.082 0.000 0.856 333 R HN 0.372 nan 8.270 nan 0.000 0.437 334 R N 0.550 121.006 120.500 -0.072 0.000 2.073 334 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 334 R C 2.393 178.647 176.300 -0.077 0.000 1.134 334 R CA 1.214 57.273 56.100 -0.069 0.000 0.952 334 R CB -0.388 29.876 30.300 -0.061 0.000 0.850 334 R HN 0.205 nan 8.270 nan 0.000 0.433 335 L N 0.827 122.006 121.223 -0.073 0.000 2.083 335 L HA -0.182 4.157 4.340 -0.000 0.000 0.209 335 L C 2.657 179.465 176.870 -0.104 0.000 1.083 335 L CA 1.319 56.105 54.840 -0.091 0.000 0.752 335 L CB -0.430 41.593 42.059 -0.060 0.000 0.899 335 L HN 0.217 nan 8.230 nan 0.000 0.433 336 K N 0.659 120.998 120.400 -0.102 0.000 2.097 336 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 336 K C 2.094 178.628 176.600 -0.111 0.000 1.050 336 K CA 1.202 57.416 56.287 -0.123 0.000 0.938 336 K CB -0.035 32.391 32.500 -0.124 0.000 0.718 336 K HN 0.246 nan 8.250 nan 0.000 0.442 337 A N 1.367 124.130 122.820 -0.094 0.000 2.070 337 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 337 A C 1.391 178.924 177.584 -0.084 0.000 1.159 337 A CA 1.241 53.229 52.037 -0.083 0.000 0.656 337 A CB -0.196 18.761 19.000 -0.073 0.000 0.800 337 A HN 0.294 nan 8.150 nan 0.000 0.453 338 K N -0.878 119.466 120.400 -0.093 0.000 2.469 338 K HA 0.257 4.577 4.320 -0.000 0.000 0.201 338 K C 0.854 177.394 176.600 -0.100 0.000 1.028 338 K CA 0.363 56.593 56.287 -0.093 0.000 1.170 338 K CB -0.176 32.263 32.500 -0.102 0.000 0.874 338 K HN 0.574 nan 8.250 nan 0.000 0.507 339 G N 1.681 110.418 108.800 -0.105 0.000 2.160 339 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 339 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 339 G C -0.067 174.750 174.900 -0.140 0.000 1.008 339 G CA 0.045 45.080 45.100 -0.110 0.000 0.724 339 G HN 0.217 nan 8.290 nan 0.000 0.514 340 L N -0.476 120.649 121.223 -0.163 0.000 2.331 340 L HA 0.609 4.949 4.340 -0.000 0.000 0.275 340 L C 0.497 177.193 176.870 -0.290 0.000 1.022 340 L CA -1.196 53.525 54.840 -0.198 0.000 0.812 340 L CB 1.357 43.327 42.059 -0.148 0.000 1.257 340 L HN -0.140 nan 8.230 nan 0.000 0.435 341 K N 1.911 122.060 120.400 -0.418 0.000 2.098 341 K HA 0.598 4.918 4.320 -0.000 0.000 0.261 341 K C -0.901 175.459 176.600 -0.400 0.000 0.987 341 K CA -0.647 55.272 56.287 -0.613 0.000 0.916 341 K CB 2.008 33.800 32.500 -1.180 0.000 1.039 341 K HN 0.275 nan 8.250 nan 0.000 0.455 342 I N 0.857 121.237 120.570 -0.316 0.000 2.436 342 I HA 0.194 4.364 4.170 -0.000 0.000 0.289 342 I C -0.450 175.579 176.117 -0.146 0.000 1.010 342 I CA -0.484 60.733 61.300 -0.140 0.000 1.098 342 I CB 1.667 39.667 38.000 0.001 0.000 1.266 342 I HN 0.454 nan 8.210 nan 0.000 0.434 343 C N 7.662 126.921 119.300 -0.069 0.000 2.455 343 C HA 0.906 5.366 4.460 -0.000 0.000 0.320 343 C C -0.424 174.670 174.990 0.173 0.000 1.226 343 C CA -0.412 58.622 59.018 0.026 0.000 1.569 343 C CB 0.582 28.408 27.740 0.142 0.000 2.200 343 C HN 0.704 nan 8.230 nan 0.000 0.491 344 V N 3.440 123.427 119.914 0.122 0.000 2.769 344 V HA 0.686 4.805 4.120 -0.000 0.000 0.312 344 V C -0.608 175.771 176.094 0.476 0.000 1.061 344 V CA -0.903 61.443 62.300 0.077 0.000 0.931 344 V CB 1.446 32.976 31.823 -0.489 0.000 1.010 344 V HN 1.108 nan 8.190 nan 0.000 0.433 345 W N 5.838 127.393 121.300 0.425 0.000 2.190 345 W HA 0.672 5.332 4.660 -0.000 0.000 0.330 345 W C -0.230 176.614 176.519 0.541 0.000 1.299 345 W CA 0.097 57.756 57.345 0.523 0.000 1.215 345 W CB 0.691 30.395 29.460 0.408 0.000 1.147 345 W HN 0.896 nan 8.180 nan 0.000 0.563 346 I N 3.383 123.861 120.570 -0.153 0.000 3.093 346 I HA 0.601 4.771 4.170 -0.000 0.000 0.308 346 I C -1.280 174.331 176.117 -0.843 0.000 1.303 346 I CA -1.199 59.928 61.300 -0.290 0.000 0.975 346 I CB 2.146 40.248 38.000 0.170 0.000 1.286 346 I HN 0.738 nan 8.210 nan 0.000 0.459 347 N N 1.830 120.240 118.700 -0.484 0.000 3.020 347 N HA 0.529 5.269 4.740 -0.000 0.000 0.248 347 N C -2.790 172.668 175.510 -0.086 0.000 1.480 347 N CA -1.431 51.425 53.050 -0.322 0.000 0.874 347 N CB 2.537 40.688 38.487 -0.560 0.000 1.433 347 N HN 0.419 nan 8.380 nan 0.000 0.530 348 P HA 0.200 nan 4.420 nan 0.000 0.258 348 P C -1.107 176.385 177.300 0.320 0.000 1.416 348 P CA 0.327 63.334 63.100 -0.156 0.000 0.927 348 P CB -0.218 31.207 31.700 -0.458 0.000 1.444 349 Y N 0.108 120.615 120.300 0.346 0.000 2.650 349 Y HA 0.655 5.205 4.550 -0.000 0.000 0.331 349 Y C 0.423 176.542 175.900 0.365 0.000 1.082 349 Y CA -2.588 55.692 58.100 0.300 0.000 1.171 349 Y CB 1.154 39.796 38.460 0.303 0.000 1.326 349 Y HN -0.266 nan 8.280 nan 0.000 0.513 350 I N 0.737 121.553 120.570 0.410 0.000 2.611 350 I HA 0.581 4.751 4.170 -0.000 0.000 0.287 350 I C -0.232 176.102 176.117 0.362 0.000 1.184 350 I CA -0.437 61.066 61.300 0.338 0.000 1.054 350 I CB 1.223 39.304 38.000 0.134 0.000 1.257 350 I HN 0.764 nan 8.210 nan 0.000 0.435 351 G N 4.458 113.442 108.800 0.307 0.000 2.544 351 G HA2 0.072 4.032 3.960 -0.000 0.000 0.242 351 G HA3 0.072 4.032 3.960 -0.000 0.000 0.242 351 G C 0.279 175.250 174.900 0.118 0.000 1.247 351 G CA -0.163 45.044 45.100 0.178 0.000 0.840 351 G HN 0.851 nan 8.290 nan 0.000 0.578 352 Q N 0.512 120.183 119.800 -0.214 0.000 2.167 352 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 352 Q C 2.337 178.112 176.000 -0.376 0.000 0.970 352 Q CA 1.411 56.740 55.803 -0.789 0.000 0.855 352 Q CB -0.063 28.128 28.738 -0.912 0.000 0.911 352 Q HN 0.713 nan 8.270 nan 0.000 0.438 353 K N 0.327 120.614 120.400 -0.188 0.000 2.152 353 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 353 K C 0.689 177.288 176.600 -0.003 0.000 1.048 353 K CA 0.836 57.068 56.287 -0.093 0.000 0.933 353 K CB -0.175 32.301 32.500 -0.040 0.000 0.721 353 K HN 0.047 nan 8.250 nan 0.000 0.447 354 S N 1.059 116.795 115.700 0.060 0.000 2.546 354 S HA 0.044 4.514 4.470 -0.000 0.000 0.290 354 S C -1.901 172.796 174.600 0.161 0.000 1.290 354 S CA -1.260 57.021 58.200 0.134 0.000 1.069 354 S CB 0.891 64.213 63.200 0.202 0.000 0.846 354 S HN 0.089 nan 8.310 nan 0.000 0.495 355 P HA -0.061 nan 4.420 nan 0.000 0.221 355 P C 1.231 178.647 177.300 0.194 0.000 1.145 355 P CA 0.504 63.694 63.100 0.149 0.000 0.795 355 P CB 0.086 31.868 31.700 0.137 0.000 0.775 356 V N -1.439 118.624 119.914 0.249 0.000 2.719 356 V HA -0.184 3.936 4.120 -0.000 0.000 0.252 356 V C 2.001 178.212 176.094 0.195 0.000 1.065 356 V CA 1.077 63.548 62.300 0.285 0.000 1.086 356 V CB -1.229 30.863 31.823 0.449 0.000 0.700 356 V HN 0.033 nan 8.190 nan 0.000 0.467 357 F N 1.834 121.815 119.950 0.052 0.000 2.063 357 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 357 F C 2.505 178.270 175.800 -0.057 0.000 1.109 357 F CA 2.576 60.562 58.000 -0.024 0.000 1.212 357 F CB -0.266 38.725 39.000 -0.015 0.000 0.973 357 F HN 0.041 nan 8.300 nan 0.000 0.480 358 K N 0.221 120.800 120.400 0.299 0.000 2.211 358 K HA -0.259 4.061 4.320 -0.000 0.000 0.204 358 K C 2.177 178.775 176.600 -0.004 0.000 1.047 358 K CA 1.731 58.112 56.287 0.156 0.000 0.935 358 K CB -0.351 32.231 32.500 0.137 0.000 0.728 358 K HN 0.568 nan 8.250 nan 0.000 0.452 359 E N 0.575 120.763 120.200 -0.019 0.000 2.046 359 E HA -0.148 4.201 4.350 -0.000 0.000 0.190 359 E C 2.047 178.471 176.600 -0.294 0.000 0.982 359 E CA 0.712 57.059 56.400 -0.088 0.000 0.800 359 E CB -0.000 29.711 29.700 0.020 0.000 0.756 359 E HN 0.325 nan 8.360 nan 0.000 0.449 360 L N 0.771 121.763 121.223 -0.386 0.000 2.083 360 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 360 L C 2.906 179.478 176.870 -0.497 0.000 1.083 360 L CA 1.320 55.817 54.840 -0.570 0.000 0.752 360 L CB -0.492 41.227 42.059 -0.567 0.000 0.899 360 L HN 0.312 nan 8.230 nan 0.000 0.433 361 Q N 0.613 120.160 119.800 -0.421 0.000 1.967 361 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 361 Q C 2.028 177.894 176.000 -0.223 0.000 0.985 361 Q CA 1.845 57.459 55.803 -0.315 0.000 0.839 361 Q CB -0.024 28.587 28.738 -0.212 0.000 0.906 361 Q HN 0.453 nan 8.270 nan 0.000 0.423 362 E N 0.013 120.105 120.200 -0.180 0.000 2.219 362 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 362 E C 1.761 178.244 176.600 -0.195 0.000 0.998 362 E CA 1.111 57.426 56.400 -0.141 0.000 0.818 362 E CB 0.069 29.710 29.700 -0.098 0.000 0.741 362 E HN 0.275 nan 8.360 nan 0.000 0.477 363 K N -1.024 119.157 120.400 -0.364 0.000 2.356 363 K HA 0.065 4.385 4.320 -0.000 0.000 0.195 363 K C 0.934 177.313 176.600 -0.368 0.000 1.037 363 K CA 0.483 56.462 56.287 -0.513 0.000 1.014 363 K CB 0.802 32.620 32.500 -1.136 0.000 0.815 363 K HN 0.201 nan 8.250 nan 0.000 0.507 364 G N 1.189 109.838 108.800 -0.252 0.000 2.160 364 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 364 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 364 G C 0.143 175.121 174.900 0.130 0.000 1.022 364 G CA -0.081 44.999 45.100 -0.033 0.000 0.741 364 G HN 0.226 nan 8.290 nan 0.000 0.508 365 Y N -0.492 119.705 120.300 -0.171 0.000 2.490 365 Y HA 0.420 4.970 4.550 -0.000 0.000 0.281 365 Y C 1.762 177.555 175.900 -0.178 0.000 1.174 365 Y CA -0.508 57.491 58.100 -0.167 0.000 1.295 365 Y CB -0.002 38.332 38.460 -0.210 0.000 1.062 365 Y HN 0.332 nan 8.280 nan 0.000 0.522 366 L N 0.232 121.402 121.223 -0.088 0.000 2.334 366 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 366 L C -0.276 176.510 176.870 -0.141 0.000 1.036 366 L CA -1.341 53.385 54.840 -0.190 0.000 0.807 366 L CB 1.318 43.174 42.059 -0.338 0.000 1.231 366 L HN -0.185 nan 8.230 nan 0.000 0.438 367 L N 3.314 124.417 121.223 -0.200 0.000 2.562 367 L HA 0.058 4.398 4.340 -0.000 0.000 0.271 367 L C -0.101 176.650 176.870 -0.199 0.000 1.167 367 L CA 0.693 55.346 54.840 -0.313 0.000 0.917 367 L CB -0.417 41.302 42.059 -0.567 0.000 1.187 367 L HN 0.453 nan 8.230 nan 0.000 0.482 368 K N 5.288 125.588 120.400 -0.167 0.000 2.095 368 K HA 0.526 4.846 4.320 -0.000 0.000 0.252 368 K C -0.093 176.458 176.600 -0.081 0.000 0.977 368 K CA -0.876 55.364 56.287 -0.079 0.000 0.900 368 K CB 1.333 33.810 32.500 -0.039 0.000 1.060 368 K HN 0.540 nan 8.250 nan 0.000 0.449 369 R N 0.902 121.396 120.500 -0.010 0.000 2.583 369 R HA 0.099 4.438 4.340 -0.000 0.000 0.268 369 R C -1.701 174.592 176.300 -0.012 0.000 1.101 369 R CA -1.712 54.392 56.100 0.007 0.000 1.180 369 R CB -0.055 30.270 30.300 0.042 0.000 1.128 369 R HN 0.350 nan 8.270 nan 0.000 0.568 370 P HA -0.198 nan 4.420 nan 0.000 0.216 370 P C 0.269 177.570 177.300 0.002 0.000 1.153 370 P CA 1.470 64.569 63.100 -0.001 0.000 0.858 370 P CB 0.038 31.744 31.700 0.009 0.000 0.789 371 D N -1.948 118.455 120.400 0.004 0.000 2.378 371 D HA -0.005 4.635 4.640 -0.000 0.000 0.222 371 D C 1.469 177.769 176.300 0.001 0.000 0.980 371 D CA 1.202 55.204 54.000 0.003 0.000 0.907 371 D CB -0.989 39.813 40.800 0.002 0.000 0.899 371 D HN 0.286 nan 8.370 nan 0.000 0.527 372 G N -0.503 108.297 108.800 -0.001 0.000 2.213 372 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.226 372 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.226 372 G C 0.419 175.317 174.900 -0.003 0.000 0.992 372 G CA 0.287 45.387 45.100 -0.000 0.000 0.632 372 G HN 0.868 nan 8.290 nan 0.000 0.511 373 S N 0.353 116.051 115.700 -0.004 0.000 2.632 373 S HA 0.760 5.230 4.470 -0.000 0.000 0.267 373 S C 0.613 175.210 174.600 -0.006 0.000 1.276 373 S CA -0.764 57.432 58.200 -0.006 0.000 0.998 373 S CB 1.357 64.552 63.200 -0.009 0.000 0.953 373 S HN 0.685 nan 8.310 nan 0.000 0.547 374 L N 0.900 122.120 121.223 -0.005 0.000 2.439 374 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 374 L C 0.011 176.892 176.870 0.017 0.000 1.179 374 L CA -0.624 54.218 54.840 0.002 0.000 0.828 374 L CB 0.290 42.356 42.059 0.012 0.000 1.106 374 L HN 0.835 nan 8.230 nan 0.000 0.467 375 W N 3.585 124.796 121.300 -0.149 0.000 2.316 375 W HA 0.369 5.029 4.660 -0.000 0.000 0.311 375 W C -0.530 175.900 176.519 -0.147 0.000 1.217 375 W CA -0.098 57.140 57.345 -0.178 0.000 1.199 375 W CB 0.641 29.933 29.460 -0.280 0.000 1.202 375 W HN 0.428 nan 8.180 nan 0.000 0.528 376 Q N 5.342 124.590 119.800 -0.921 0.000 2.482 376 Q HA 0.406 4.746 4.340 -0.000 0.000 0.286 376 Q C -1.181 174.334 176.000 -0.808 0.000 1.007 376 Q CA -0.891 54.497 55.803 -0.692 0.000 0.801 376 Q CB 2.647 31.256 28.738 -0.216 0.000 1.455 376 Q HN 0.581 nan 8.270 nan 0.000 0.398 377 W N 0.034 120.963 121.300 -0.619 0.000 2.895 377 W HA 0.454 5.114 4.660 -0.000 0.000 0.377 377 W C -1.289 175.118 176.519 -0.186 0.000 1.191 377 W CA -0.862 56.245 57.345 -0.397 0.000 1.179 377 W CB -0.145 29.082 29.460 -0.388 0.000 1.469 377 W HN 0.526 nan 8.180 nan 0.000 0.577 378 D N 0.578 120.941 120.400 -0.062 0.000 2.402 378 D HA 0.108 4.748 4.640 -0.000 0.000 0.216 378 D C -0.204 175.938 176.300 -0.264 0.000 1.128 378 D CA 0.091 54.003 54.000 -0.146 0.000 0.833 378 D CB 0.620 41.342 40.800 -0.129 0.000 0.971 378 D HN 0.149 nan 8.370 nan 0.000 0.503 379 K N 0.341 120.345 120.400 -0.659 0.000 2.270 379 K HA 0.040 4.360 4.320 -0.000 0.000 0.276 379 K C 0.639 177.244 176.600 0.008 0.000 1.023 379 K CA -0.387 55.595 56.287 -0.509 0.000 0.955 379 K CB 1.671 33.514 32.500 -1.095 0.000 0.975 379 K HN 0.113 nan 8.250 nan 0.000 0.471 380 W N 0.443 121.733 121.300 -0.017 0.000 0.513 380 W HA -0.364 4.296 4.660 -0.000 0.000 0.215 380 W C -0.801 175.797 176.519 0.130 0.000 0.928 380 W CA 1.468 58.904 57.345 0.153 0.000 0.473 380 W CB -0.478 29.100 29.460 0.197 0.000 1.889 380 W HN 0.540 nan 8.180 nan 0.000 0.736 381 Q N 0.937 120.793 119.800 0.092 0.000 2.397 381 Q HA 0.401 4.741 4.340 -0.000 0.000 0.275 381 Q C -2.183 173.805 176.000 -0.018 0.000 1.090 381 Q CA -1.683 54.087 55.803 -0.055 0.000 0.809 381 Q CB 1.784 30.552 28.738 0.051 0.000 1.362 381 Q HN -0.019 nan 8.270 nan 0.000 0.431 382 P HA 0.020 nan 4.420 nan 0.000 0.271 382 P C 0.394 177.614 177.300 -0.133 0.000 1.226 382 P CA 0.608 63.595 63.100 -0.188 0.000 0.765 382 P CB 0.358 31.830 31.700 -0.381 0.000 0.835 383 G N 2.959 111.701 108.800 -0.098 0.000 2.305 383 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.287 383 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.287 383 G C -0.014 174.912 174.900 0.043 0.000 1.036 383 G CA -0.025 45.019 45.100 -0.092 0.000 0.887 383 G HN 0.652 nan 8.290 nan 0.000 0.505 384 L N 0.109 121.434 121.223 0.170 0.000 2.455 384 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 384 L C 0.731 177.781 176.870 0.299 0.000 1.174 384 L CA 0.258 55.281 54.840 0.306 0.000 0.869 384 L CB 0.524 42.843 42.059 0.433 0.000 1.130 384 L HN 0.525 nan 8.230 nan 0.000 0.474 385 A N 6.347 129.353 122.820 0.309 0.000 2.313 385 A HA 0.794 5.114 4.320 -0.000 0.000 0.323 385 A C -0.736 176.899 177.584 0.085 0.000 1.133 385 A CA -0.762 51.383 52.037 0.180 0.000 0.847 385 A CB 1.129 20.139 19.000 0.016 0.000 1.308 385 A HN 0.713 nan 8.150 nan 0.000 0.475 386 I N 0.105 120.660 120.570 -0.026 0.000 2.474 386 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 386 I C -1.214 174.800 176.117 -0.172 0.000 1.005 386 I CA -0.497 60.762 61.300 -0.068 0.000 1.113 386 I CB 1.613 39.472 38.000 -0.235 0.000 1.289 386 I HN 0.624 nan 8.210 nan 0.000 0.436 387 Y N 3.153 123.361 120.300 -0.153 0.000 2.465 387 Y HA 0.015 4.565 4.550 -0.000 0.000 0.331 387 Y C 0.696 176.344 175.900 -0.420 0.000 1.102 387 Y CA 0.028 57.931 58.100 -0.328 0.000 1.358 387 Y CB 0.288 38.415 38.460 -0.555 0.000 1.213 387 Y HN 0.426 nan 8.280 nan 0.000 0.525 388 D N 4.613 124.985 120.400 -0.048 0.000 2.435 388 D HA 0.022 4.662 4.640 -0.000 0.000 0.230 388 D C 0.224 176.640 176.300 0.192 0.000 1.215 388 D CA 0.220 54.309 54.000 0.148 0.000 0.947 388 D CB -0.168 40.718 40.800 0.143 0.000 1.048 388 D HN 0.574 nan 8.370 nan 0.000 0.512 389 F N 0.929 121.078 119.950 0.332 0.000 2.771 389 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 389 F C 2.470 178.316 175.800 0.077 0.000 1.177 389 F CA 0.435 58.486 58.000 0.085 0.000 1.450 389 F CB 0.275 39.218 39.000 -0.095 0.000 1.114 389 F HN 0.333 nan 8.300 nan 0.000 0.587 390 T N -3.359 111.412 114.554 0.362 0.000 3.081 390 T HA -0.039 4.311 4.350 -0.000 0.000 0.255 390 T C 0.745 175.599 174.700 0.256 0.000 1.113 390 T CA -0.140 62.137 62.100 0.295 0.000 1.082 390 T CB -0.291 68.795 68.868 0.364 0.000 0.939 390 T HN -0.019 nan 8.240 nan 0.000 0.506 391 N N 2.553 121.300 118.700 0.079 0.000 2.408 391 N HA 0.235 4.975 4.740 -0.000 0.000 0.257 391 N C -2.103 173.233 175.510 -0.289 0.000 1.064 391 N CA -2.068 50.708 53.050 -0.456 0.000 0.952 391 N CB 1.921 40.069 38.487 -0.564 0.000 1.093 391 N HN -0.010 nan 8.380 nan 0.000 0.490 392 P HA -0.069 nan 4.420 nan 0.000 0.215 392 P C 0.443 177.640 177.300 -0.171 0.000 1.153 392 P CA 1.078 64.107 63.100 -0.120 0.000 0.853 392 P CB 0.427 32.107 31.700 -0.033 0.000 0.788 393 D N -0.896 119.336 120.400 -0.280 0.000 2.178 393 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 393 D C 1.929 177.844 176.300 -0.642 0.000 0.974 393 D CA 1.228 55.039 54.000 -0.315 0.000 0.841 393 D CB -0.599 40.085 40.800 -0.193 0.000 0.953 393 D HN 0.073 nan 8.370 nan 0.000 0.478 394 A N 0.008 122.325 122.820 -0.838 0.000 2.014 394 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 394 A C 2.421 179.973 177.584 -0.054 0.000 1.163 394 A CA 0.675 52.269 52.037 -0.738 0.000 0.652 394 A CB -0.644 18.112 19.000 -0.406 0.000 0.808 394 A HN 0.295 nan 8.150 nan 0.000 0.449 395 C N -0.791 118.501 119.300 -0.013 0.000 2.466 395 C HA -0.017 4.443 4.460 -0.000 0.000 0.278 395 C C 2.671 177.709 174.990 0.079 0.000 1.288 395 C CA 1.265 60.335 59.018 0.087 0.000 1.722 395 C CB -0.776 26.966 27.740 0.002 0.000 2.017 395 C HN 0.731 nan 8.230 nan 0.000 0.488 396 K N -0.586 119.832 120.400 0.030 0.000 2.026 396 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 396 K C 2.026 178.700 176.600 0.125 0.000 1.048 396 K CA 1.975 58.291 56.287 0.048 0.000 0.929 396 K CB -0.406 32.115 32.500 0.035 0.000 0.713 396 K HN 0.653 nan 8.250 nan 0.000 0.439 397 W N 0.604 121.897 121.300 -0.012 0.000 2.317 397 W HA -0.313 4.347 4.660 -0.000 0.000 0.318 397 W C 2.074 178.631 176.519 0.063 0.000 1.227 397 W CA 2.184 59.579 57.345 0.084 0.000 1.269 397 W CB -0.611 28.983 29.460 0.224 0.000 1.155 397 W HN 0.229 nan 8.180 nan 0.000 0.484 398 Y N 0.636 121.145 120.300 0.349 0.000 2.181 398 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 398 Y C 2.372 178.115 175.900 -0.262 0.000 1.146 398 Y CA 2.672 60.810 58.100 0.063 0.000 1.164 398 Y CB -0.857 37.704 38.460 0.169 0.000 0.982 398 Y HN 0.006 nan 8.280 nan 0.000 0.515 399 A N -0.099 122.744 122.820 0.038 0.000 1.933 399 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 399 A C 1.865 179.310 177.584 -0.232 0.000 1.175 399 A CA 1.970 53.941 52.037 -0.110 0.000 0.628 399 A CB -0.723 18.240 19.000 -0.062 0.000 0.814 399 A HN 0.504 nan 8.150 nan 0.000 0.444 400 D N -0.226 120.037 120.400 -0.228 0.000 2.178 400 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 400 D C 1.857 177.922 176.300 -0.390 0.000 0.974 400 D CA 0.863 54.709 54.000 -0.257 0.000 0.841 400 D CB -0.121 40.553 40.800 -0.210 0.000 0.953 400 D HN 0.228 nan 8.370 nan 0.000 0.478 401 K N 0.476 120.489 120.400 -0.644 0.000 2.057 401 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 401 K C 2.325 178.505 176.600 -0.699 0.000 1.049 401 K CA 0.339 56.138 56.287 -0.814 0.000 0.931 401 K CB -0.458 31.177 32.500 -1.442 0.000 0.714 401 K HN 0.260 nan 8.250 nan 0.000 0.440 402 L N 0.770 121.539 121.223 -0.756 0.000 2.093 402 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 402 L C 2.298 179.076 176.870 -0.154 0.000 1.085 402 L CA 1.171 55.704 54.840 -0.512 0.000 0.755 402 L CB -0.283 41.373 42.059 -0.672 0.000 0.904 402 L HN 0.122 nan 8.230 nan 0.000 0.435 403 K N -0.007 120.288 120.400 -0.175 0.000 2.211 403 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 403 K C 2.109 178.677 176.600 -0.055 0.000 1.050 403 K CA 1.032 57.272 56.287 -0.078 0.000 0.945 403 K CB -0.279 32.164 32.500 -0.093 0.000 0.732 403 K HN 0.390 nan 8.250 nan 0.000 0.451 404 G N 1.373 110.115 108.800 -0.096 0.000 2.404 404 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 404 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 404 G C 1.453 176.367 174.900 0.025 0.000 1.174 404 G CA 0.343 45.416 45.100 -0.046 0.000 0.780 404 G HN 0.088 nan 8.290 nan 0.000 0.537 405 L N 0.314 121.574 121.223 0.061 0.000 2.083 405 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 405 L C 2.945 179.869 176.870 0.089 0.000 1.083 405 L CA 0.401 55.328 54.840 0.146 0.000 0.752 405 L CB -0.388 41.825 42.059 0.258 0.000 0.899 405 L HN 0.095 nan 8.230 nan 0.000 0.433 406 V N -0.020 119.947 119.914 0.088 0.000 2.379 406 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 406 V C 2.709 178.794 176.094 -0.015 0.000 1.044 406 V CA 1.605 63.915 62.300 0.017 0.000 1.036 406 V CB -0.739 31.107 31.823 0.038 0.000 0.664 406 V HN 0.463 nan 8.190 nan 0.000 0.453 407 A N -0.614 122.202 122.820 -0.007 0.000 2.076 407 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 407 A C 2.162 179.729 177.584 -0.028 0.000 1.160 407 A CA 2.149 54.173 52.037 -0.021 0.000 0.653 407 A CB -0.569 18.420 19.000 -0.018 0.000 0.801 407 A HN 0.559 nan 8.150 nan 0.000 0.455 408 M N -1.555 118.033 119.600 -0.019 0.000 2.495 408 M HA 0.259 4.739 4.480 -0.000 0.000 0.237 408 M C 1.131 177.388 176.300 -0.072 0.000 1.131 408 M CA 1.036 56.313 55.300 -0.038 0.000 1.032 408 M CB 0.219 32.822 32.600 0.005 0.000 1.513 408 M HN 0.566 nan 8.290 nan 0.000 0.488 409 G N 0.202 108.959 108.800 -0.071 0.000 2.218 409 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 409 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 409 G C -0.050 174.780 174.900 -0.118 0.000 0.994 409 G CA 0.023 45.065 45.100 -0.097 0.000 0.637 409 G HN 0.308 nan 8.290 nan 0.000 0.505 410 V N 1.998 121.843 119.914 -0.115 0.000 2.673 410 V HA 0.218 4.338 4.120 -0.000 0.000 0.303 410 V C 1.117 177.057 176.094 -0.258 0.000 1.046 410 V CA 1.060 63.248 62.300 -0.188 0.000 1.126 410 V CB 1.292 32.981 31.823 -0.223 0.000 0.934 410 V HN 0.345 nan 8.190 nan 0.000 0.487 411 D N 1.884 122.118 120.400 -0.277 0.000 2.380 411 D HA 0.145 4.785 4.640 -0.000 0.000 0.212 411 D C 0.428 176.609 176.300 -0.198 0.000 1.021 411 D CA 0.795 54.665 54.000 -0.217 0.000 0.884 411 D CB 0.749 41.399 40.800 -0.250 0.000 1.001 411 D HN 0.764 nan 8.370 nan 0.000 0.506 412 C N -1.304 117.786 119.300 -0.349 0.000 3.320 412 C HA 0.765 5.225 4.460 -0.000 0.000 0.335 412 C C -1.386 173.265 174.990 -0.566 0.000 1.430 412 C CA -1.342 57.491 59.018 -0.308 0.000 1.271 412 C CB 0.701 28.526 27.740 0.142 0.000 1.609 412 C HN -0.044 nan 8.230 nan 0.000 0.457 413 F N 0.372 120.401 119.950 0.132 0.000 2.593 413 F HA 0.685 5.212 4.527 -0.000 0.000 0.320 413 F C 0.124 175.998 175.800 0.122 0.000 1.060 413 F CA -0.708 57.366 58.000 0.124 0.000 0.940 413 F CB 1.636 40.686 39.000 0.083 0.000 1.268 413 F HN 0.739 nan 8.300 nan 0.000 0.475 414 K N 1.477 122.066 120.400 0.315 0.000 2.334 414 K HA 0.282 4.602 4.320 -0.000 0.000 0.265 414 K C -0.698 175.949 176.600 0.079 0.000 1.039 414 K CA -0.398 55.974 56.287 0.140 0.000 0.920 414 K CB 0.683 33.190 32.500 0.012 0.000 1.160 414 K HN 0.776 nan 8.250 nan 0.000 0.451 415 T N 1.069 115.650 114.554 0.045 0.000 3.176 415 T HA 0.096 4.446 4.350 -0.000 0.000 0.301 415 T C -0.043 174.685 174.700 0.047 0.000 1.115 415 T CA -0.796 61.265 62.100 -0.065 0.000 1.027 415 T CB 0.239 68.853 68.868 -0.423 0.000 1.063 415 T HN 0.398 nan 8.240 nan 0.000 0.669 416 D N 1.458 121.861 120.400 0.006 0.000 2.348 416 D HA 0.535 5.175 4.640 -0.000 0.000 0.249 416 D C 0.542 176.952 176.300 0.183 0.000 1.110 416 D CA -0.759 53.284 54.000 0.072 0.000 0.967 416 D CB 0.243 41.084 40.800 0.068 0.000 1.139 416 D HN 0.432 nan 8.370 nan 0.000 0.466 417 F N -0.066 119.844 119.950 -0.066 0.000 2.181 417 F HA -0.132 4.395 4.527 -0.000 0.000 0.317 417 F C 1.724 177.568 175.800 0.074 0.000 0.129 417 F CA 1.250 59.215 58.000 -0.059 0.000 0.911 417 F CB -1.347 37.493 39.000 -0.266 0.000 4.128 417 F HN 0.596 nan 8.300 nan 0.000 0.142 418 G N -0.988 108.018 108.800 0.342 0.000 2.184 418 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.206 418 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.206 418 G C 0.632 175.714 174.900 0.304 0.000 0.995 418 G CA 0.562 45.881 45.100 0.364 0.000 0.651 418 G HN 1.022 nan 8.290 nan 0.000 0.511 419 E N 0.597 120.958 120.200 0.268 0.000 2.127 419 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 419 E C 1.383 177.984 176.600 0.002 0.000 0.964 419 E CA -0.043 56.413 56.400 0.092 0.000 0.832 419 E CB -0.187 29.607 29.700 0.156 0.000 0.790 419 E HN 0.443 nan 8.360 nan 0.000 0.465 420 R N 1.723 122.345 120.500 0.203 0.000 4.154 420 R HA 0.215 4.555 4.340 -0.000 0.000 0.186 420 R C -0.282 175.981 176.300 -0.062 0.000 1.750 420 R CA -0.091 56.129 56.100 0.200 0.000 1.431 420 R CB -0.146 30.414 30.300 0.433 0.000 1.383 420 R HN 0.125 nan 8.270 nan 0.000 0.788 421 I N 3.993 124.473 120.570 -0.150 0.000 2.325 421 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 421 I C -1.611 174.418 176.117 -0.147 0.000 1.019 421 I CA -3.164 57.963 61.300 -0.288 0.000 1.302 421 I CB 0.748 38.582 38.000 -0.277 0.000 1.401 421 I HN 0.115 nan 8.210 nan 0.000 0.485 422 P HA 0.159 nan 4.420 nan 0.000 0.275 422 P C 0.478 177.667 177.300 -0.184 0.000 1.228 422 P CA -0.068 62.758 63.100 -0.456 0.000 0.786 422 P CB 1.055 32.054 31.700 -1.169 0.000 0.927 423 T N -2.711 111.845 114.554 0.003 0.000 3.040 423 T HA -0.020 4.329 4.350 -0.000 0.000 0.252 423 T C 0.632 175.358 174.700 0.043 0.000 1.064 423 T CA 0.160 62.322 62.100 0.103 0.000 1.110 423 T CB -0.670 68.314 68.868 0.193 0.000 0.921 423 T HN 0.421 nan 8.240 nan 0.000 0.480 424 D N 2.461 122.872 120.400 0.019 0.000 2.767 424 D HA 0.339 4.979 4.640 -0.000 0.000 0.231 424 D C 0.015 176.308 176.300 -0.012 0.000 1.105 424 D CA -0.395 53.628 54.000 0.038 0.000 1.024 424 D CB 0.010 40.865 40.800 0.090 0.000 1.123 424 D HN 0.346 nan 8.370 nan 0.000 0.470 425 V N -0.343 119.521 119.914 -0.083 0.000 3.182 425 V HA 0.454 4.574 4.120 -0.000 0.000 0.308 425 V C -1.908 174.089 176.094 -0.161 0.000 1.240 425 V CA -0.952 61.230 62.300 -0.197 0.000 1.063 425 V CB 2.430 33.950 31.823 -0.505 0.000 1.076 425 V HN 0.314 nan 8.190 nan 0.000 0.446 426 Q N 2.077 121.749 119.800 -0.213 0.000 2.464 426 Q HA 0.337 4.677 4.340 -0.000 0.000 0.256 426 Q C -1.637 174.291 176.000 -0.120 0.000 1.020 426 Q CA -0.540 55.208 55.803 -0.092 0.000 0.716 426 Q CB 0.929 29.648 28.738 -0.032 0.000 1.230 426 Q HN 0.736 nan 8.270 nan 0.000 0.494 427 W N 2.014 123.341 121.300 0.044 0.000 2.123 427 W HA 0.010 4.670 4.660 -0.000 0.000 0.351 427 W C 1.169 177.766 176.519 0.131 0.000 1.292 427 W CA -0.239 57.161 57.345 0.092 0.000 1.263 427 W CB 0.270 29.792 29.460 0.103 0.000 1.165 427 W HN 0.674 nan 8.180 nan 0.000 0.590 428 F N 2.196 122.324 119.950 0.297 0.000 2.171 428 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 428 F C 2.144 178.048 175.800 0.174 0.000 1.090 428 F CA 2.175 60.288 58.000 0.188 0.000 1.293 428 F CB -0.114 38.991 39.000 0.176 0.000 1.013 428 F HN 0.360 nan 8.300 nan 0.000 0.486 429 D N -0.954 119.644 120.400 0.330 0.000 2.328 429 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 429 D C 1.780 178.138 176.300 0.096 0.000 1.072 429 D CA 0.770 54.871 54.000 0.168 0.000 0.850 429 D CB -0.365 40.576 40.800 0.236 0.000 0.922 429 D HN 0.432 nan 8.370 nan 0.000 0.516 430 G N 0.004 108.878 108.800 0.123 0.000 2.205 430 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 430 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 430 G C 0.548 175.525 174.900 0.129 0.000 0.980 430 G CA 0.301 45.463 45.100 0.103 0.000 0.632 430 G HN 0.462 nan 8.290 nan 0.000 0.533 431 S N 0.613 116.392 115.700 0.132 0.000 2.537 431 S HA 0.241 4.711 4.470 -0.000 0.000 0.280 431 S C 0.384 175.047 174.600 0.105 0.000 1.335 431 S CA 0.653 58.882 58.200 0.049 0.000 1.025 431 S CB 0.707 63.850 63.200 -0.096 0.000 0.836 431 S HN 0.561 nan 8.310 nan 0.000 0.523 432 D N 1.496 121.923 120.400 0.045 0.000 2.338 432 D HA 0.234 4.874 4.640 -0.000 0.000 0.255 432 D C -1.685 174.696 176.300 0.135 0.000 1.237 432 D CA -2.271 51.785 54.000 0.092 0.000 0.883 432 D CB 0.987 41.822 40.800 0.059 0.000 1.087 432 D HN 0.018 nan 8.370 nan 0.000 0.485 433 P HA -0.182 nan 4.420 nan 0.000 0.217 433 P C 1.180 178.657 177.300 0.294 0.000 1.151 433 P CA 1.098 64.413 63.100 0.358 0.000 0.849 433 P CB 0.267 32.152 31.700 0.309 0.000 0.787 434 Q N -0.511 119.434 119.800 0.243 0.000 2.291 434 Q HA -0.096 4.244 4.340 -0.000 0.000 0.205 434 Q C 1.766 177.948 176.000 0.303 0.000 0.970 434 Q CA 1.307 57.292 55.803 0.303 0.000 0.876 434 Q CB -0.289 28.571 28.738 0.202 0.000 0.935 434 Q HN 0.441 nan 8.270 nan 0.000 0.455 435 K N -0.816 119.685 120.400 0.169 0.000 2.242 435 K HA 0.133 4.452 4.320 -0.000 0.000 0.200 435 K C 1.948 178.590 176.600 0.071 0.000 1.050 435 K CA 0.039 56.383 56.287 0.094 0.000 0.981 435 K CB 0.167 32.651 32.500 -0.028 0.000 0.795 435 K HN 0.059 nan 8.250 nan 0.000 0.477 436 M N 0.597 120.207 119.600 0.016 0.000 2.159 436 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 436 M C 2.005 178.326 176.300 0.036 0.000 1.063 436 M CA 1.648 56.883 55.300 -0.108 0.000 1.110 436 M CB -0.999 31.283 32.600 -0.529 0.000 1.374 436 M HN 0.222 nan 8.290 nan 0.000 0.411 437 H N 1.176 120.242 119.070 -0.006 0.000 2.255 437 H HA -0.204 4.352 4.556 -0.000 0.000 0.290 437 H C 1.810 177.057 175.328 -0.135 0.000 1.087 437 H CA 2.739 58.688 56.048 -0.166 0.000 1.213 437 H CB -0.057 29.358 29.762 -0.578 0.000 1.349 437 H HN 0.331 nan 8.280 nan 0.000 0.487 438 N N -0.862 117.797 118.700 -0.068 0.000 2.135 438 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 438 N C 1.910 177.513 175.510 0.155 0.000 1.027 438 N CA 1.349 54.404 53.050 0.008 0.000 0.849 438 N CB -0.707 37.899 38.487 0.199 0.000 1.002 438 N HN 0.508 nan 8.380 nan 0.000 0.425 439 H N -0.383 118.748 119.070 0.103 0.000 2.518 439 H HA -0.081 4.475 4.556 -0.000 0.000 0.289 439 H C 1.668 177.080 175.328 0.140 0.000 1.051 439 H CA 0.940 57.068 56.048 0.133 0.000 1.280 439 H CB -0.227 29.567 29.762 0.054 0.000 1.380 439 H HN 0.266 nan 8.280 nan 0.000 0.566 440 Y N 0.214 120.496 120.300 -0.031 0.000 2.128 440 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 440 Y C 2.577 178.511 175.900 0.057 0.000 1.154 440 Y CA 1.798 59.877 58.100 -0.035 0.000 1.149 440 Y CB -0.803 37.641 38.460 -0.027 0.000 0.976 440 Y HN 0.281 nan 8.280 nan 0.000 0.505 441 A N -0.636 122.291 122.820 0.177 0.000 1.948 441 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 441 A C 2.161 179.771 177.584 0.043 0.000 1.177 441 A CA 2.047 54.189 52.037 0.174 0.000 0.636 441 A CB -1.583 17.516 19.000 0.164 0.000 0.815 441 A HN 0.759 nan 8.150 nan 0.000 0.449 442 Y N 0.159 120.373 120.300 -0.143 0.000 2.220 442 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 442 Y C 2.037 177.759 175.900 -0.297 0.000 1.129 442 Y CA 1.458 59.447 58.100 -0.185 0.000 1.161 442 Y CB -0.013 38.275 38.460 -0.287 0.000 0.997 442 Y HN 0.225 nan 8.280 nan 0.000 0.522 443 I N 0.025 120.385 120.570 -0.350 0.000 2.315 443 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 443 I C 2.303 178.072 176.117 -0.580 0.000 1.117 443 I CA 1.575 62.631 61.300 -0.407 0.000 1.404 443 I CB -1.582 36.245 38.000 -0.288 0.000 1.071 443 I HN 0.425 nan 8.210 nan 0.000 0.419 444 Y N 2.344 122.205 120.300 -0.730 0.000 2.070 444 Y HA -0.270 4.280 4.550 -0.000 0.000 0.279 444 Y C 2.580 178.102 175.900 -0.630 0.000 1.134 444 Y CA 1.614 59.242 58.100 -0.788 0.000 1.113 444 Y CB -0.168 38.017 38.460 -0.459 0.000 0.981 444 Y HN 0.143 nan 8.280 nan 0.000 0.487 445 N N 0.745 119.038 118.700 -0.678 0.000 2.205 445 N HA -0.234 4.506 4.740 -0.000 0.000 0.186 445 N C 1.769 176.692 175.510 -0.978 0.000 1.015 445 N CA 1.693 54.289 53.050 -0.757 0.000 0.862 445 N CB -0.392 37.810 38.487 -0.475 0.000 0.986 445 N HN 0.634 nan 8.380 nan 0.000 0.429 446 E N 1.169 120.655 120.200 -1.189 0.000 2.072 446 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 446 E C 2.203 178.363 176.600 -0.733 0.000 0.985 446 E CA 0.493 56.049 56.400 -1.406 0.000 0.801 446 E CB -0.090 28.991 29.700 -1.031 0.000 0.750 446 E HN 0.270 nan 8.360 nan 0.000 0.452 447 L N 0.456 121.312 121.223 -0.612 0.000 2.017 447 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 447 L C 2.334 179.006 176.870 -0.331 0.000 1.073 447 L CA 1.153 55.721 54.840 -0.452 0.000 0.745 447 L CB -0.146 41.542 42.059 -0.619 0.000 0.894 447 L HN 0.093 nan 8.230 nan 0.000 0.432 448 V N -0.642 119.062 119.914 -0.350 0.000 2.295 448 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 448 V C 2.156 178.170 176.094 -0.134 0.000 1.049 448 V CA 2.212 64.369 62.300 -0.238 0.000 1.024 448 V CB -1.052 30.622 31.823 -0.248 0.000 0.648 448 V HN 0.735 nan 8.190 nan 0.000 0.447 449 W N 1.602 122.668 121.300 -0.391 0.000 2.342 449 W HA -0.217 4.443 4.660 -0.000 0.000 0.297 449 W C 2.086 178.496 176.519 -0.182 0.000 1.213 449 W CA 2.075 59.248 57.345 -0.287 0.000 1.251 449 W CB -0.413 28.741 29.460 -0.509 0.000 1.136 449 W HN 0.360 nan 8.180 nan 0.000 0.526 450 N N 0.300 118.985 118.700 -0.025 0.000 2.396 450 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 450 N C 1.729 177.181 175.510 -0.097 0.000 1.028 450 N CA 1.305 54.333 53.050 -0.036 0.000 0.893 450 N CB -0.709 37.760 38.487 -0.030 0.000 0.967 450 N HN 0.039 nan 8.380 nan 0.000 0.440 451 V N 0.817 120.664 119.914 -0.112 0.000 2.307 451 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 451 V C 2.215 178.264 176.094 -0.075 0.000 1.045 451 V CA 0.951 63.198 62.300 -0.088 0.000 1.024 451 V CB -0.372 31.390 31.823 -0.103 0.000 0.651 451 V HN 0.154 nan 8.190 nan 0.000 0.449 452 L N 0.165 121.330 121.223 -0.097 0.000 1.990 452 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 452 L C 2.407 179.143 176.870 -0.222 0.000 1.072 452 L CA 2.012 56.764 54.840 -0.146 0.000 0.755 452 L CB -1.067 40.831 42.059 -0.268 0.000 0.889 452 L HN 0.279 nan 8.230 nan 0.000 0.432 453 K N -0.755 119.446 120.400 -0.332 0.000 2.152 453 K HA -0.183 4.136 4.320 -0.000 0.000 0.206 453 K C 1.291 177.825 176.600 -0.110 0.000 1.048 453 K CA 1.562 57.703 56.287 -0.243 0.000 0.933 453 K CB 0.002 32.383 32.500 -0.198 0.000 0.721 453 K HN 0.375 nan 8.250 nan 0.000 0.447 454 D N -0.869 119.480 120.400 -0.086 0.000 2.349 454 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 454 D C 1.452 177.725 176.300 -0.044 0.000 1.016 454 D CA 1.038 55.008 54.000 -0.049 0.000 0.870 454 D CB 0.602 41.378 40.800 -0.041 0.000 0.917 454 D HN 0.445 nan 8.370 nan 0.000 0.524 455 T N -2.116 112.407 114.554 -0.053 0.000 3.397 455 T HA -0.011 4.339 4.350 -0.000 0.000 0.233 455 T C 2.089 176.766 174.700 -0.039 0.000 0.969 455 T CA 0.710 62.786 62.100 -0.038 0.000 1.316 455 T CB -0.702 68.150 68.868 -0.026 0.000 1.175 455 T HN -0.047 nan 8.240 nan 0.000 0.381 456 V N 0.066 119.951 119.914 -0.047 0.000 2.667 456 V HA 0.533 4.653 4.120 -0.000 0.000 0.252 456 V C 1.293 177.366 176.094 -0.035 0.000 1.065 456 V CA 0.519 62.797 62.300 -0.036 0.000 1.083 456 V CB -1.528 30.278 31.823 -0.028 0.000 0.692 456 V HN 1.333 nan 8.190 nan 0.000 0.468 457 G N -0.113 108.649 108.800 -0.063 0.000 2.742 457 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 457 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 457 G C -0.017 174.827 174.900 -0.093 0.000 1.220 457 G CA 0.135 45.203 45.100 -0.053 0.000 0.783 457 G HN 0.415 nan 8.290 nan 0.000 0.646 458 E N 0.263 120.419 120.200 -0.072 0.000 2.097 458 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 458 E C 2.142 178.709 176.600 -0.055 0.000 1.000 458 E CA 2.363 58.716 56.400 -0.077 0.000 0.804 458 E CB 0.048 29.773 29.700 0.042 0.000 0.740 458 E HN 0.652 nan 8.360 nan 0.000 0.454 459 E N 0.560 120.759 120.200 -0.001 0.000 2.204 459 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 459 E C 1.646 178.247 176.600 0.002 0.000 0.990 459 E CA 1.007 57.425 56.400 0.031 0.000 0.821 459 E CB -0.078 29.657 29.700 0.059 0.000 0.750 459 E HN 0.251 nan 8.360 nan 0.000 0.477 460 E N 0.308 120.500 120.200 -0.014 0.000 2.442 460 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 460 E C 0.242 176.800 176.600 -0.070 0.000 1.030 460 E CA 0.374 56.795 56.400 0.036 0.000 0.869 460 E CB 0.071 29.838 29.700 0.111 0.000 0.857 460 E HN 0.236 nan 8.360 nan 0.000 0.505 461 A N 1.238 123.905 122.820 -0.255 0.000 2.440 461 A HA 0.376 4.696 4.320 -0.000 0.000 0.251 461 A C 0.061 177.414 177.584 -0.384 0.000 1.089 461 A CA -0.024 51.713 52.037 -0.500 0.000 0.779 461 A CB 0.672 18.965 19.000 -1.177 0.000 1.022 461 A HN 0.023 nan 8.150 nan 0.000 0.492 462 V N 3.300 123.095 119.914 -0.198 0.000 3.236 462 V HA 0.654 4.774 4.120 -0.000 0.000 0.287 462 V C -1.391 174.790 176.094 0.145 0.000 1.491 462 V CA -0.532 61.783 62.300 0.025 0.000 1.037 462 V CB 1.901 33.666 31.823 -0.098 0.000 1.160 462 V HN 0.964 nan 8.190 nan 0.000 0.453 463 L N 3.192 124.513 121.223 0.164 0.000 2.389 463 L HA 0.676 5.016 4.340 -0.000 0.000 0.249 463 L C -1.754 175.154 176.870 0.064 0.000 1.083 463 L CA -0.602 54.333 54.840 0.159 0.000 0.876 463 L CB 2.408 44.536 42.059 0.114 0.000 1.489 463 L HN 0.605 nan 8.230 nan 0.000 0.412 464 F N 1.183 121.043 119.950 -0.150 0.000 2.646 464 F HA 0.663 5.190 4.527 -0.000 0.000 0.364 464 F C -0.031 175.751 175.800 -0.030 0.000 1.137 464 F CA -0.563 57.296 58.000 -0.235 0.000 1.085 464 F CB 1.473 40.196 39.000 -0.462 0.000 1.331 464 F HN 0.364 nan 8.300 nan 0.000 0.472 465 A N 4.409 127.135 122.820 -0.157 0.000 2.304 465 A HA 0.576 4.896 4.320 -0.000 0.000 0.323 465 A C 0.978 178.417 177.584 -0.243 0.000 1.195 465 A CA -0.593 51.344 52.037 -0.168 0.000 0.826 465 A CB 1.078 19.841 19.000 -0.395 0.000 1.184 465 A HN 0.869 nan 8.150 nan 0.000 0.496 466 R N 1.243 121.517 120.500 -0.377 0.000 2.140 466 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 466 R C 0.713 176.713 176.300 -0.501 0.000 1.059 466 R CA 1.360 56.899 56.100 -0.934 0.000 1.000 466 R CB 0.063 29.637 30.300 -1.211 0.000 0.910 466 R HN 0.810 nan 8.270 nan 0.000 0.455 467 S N -0.937 114.652 115.700 -0.184 0.000 2.648 467 S HA 0.858 5.328 4.470 -0.000 0.000 0.305 467 S C -0.655 173.975 174.600 0.050 0.000 1.094 467 S CA -0.445 57.744 58.200 -0.019 0.000 0.983 467 S CB 2.397 65.645 63.200 0.080 0.000 1.101 467 S HN 0.265 nan 8.310 nan 0.000 0.514 468 A N 0.371 123.217 122.820 0.042 0.000 2.586 468 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 468 A C -0.600 177.050 177.584 0.111 0.000 1.086 468 A CA -0.517 51.572 52.037 0.087 0.000 0.665 468 A CB 1.023 19.987 19.000 -0.060 0.000 1.279 468 A HN 1.450 nan 8.150 nan 0.000 0.423 469 S N -1.085 114.730 115.700 0.191 0.000 2.625 469 S HA 0.578 5.048 4.470 -0.000 0.000 0.271 469 S C -0.836 173.818 174.600 0.090 0.000 1.161 469 S CA -0.214 58.088 58.200 0.171 0.000 0.820 469 S CB 1.371 64.715 63.200 0.240 0.000 1.137 469 S HN 1.626 nan 8.310 nan 0.000 0.470 470 V N 3.016 122.830 119.914 -0.167 0.000 2.678 470 V HA 0.282 4.402 4.120 -0.000 0.000 0.304 470 V C 1.830 177.688 176.094 -0.392 0.000 1.086 470 V CA 2.151 64.181 62.300 -0.450 0.000 1.246 470 V CB -0.224 30.858 31.823 -1.236 0.000 0.861 470 V HN 1.588 nan 8.190 nan 0.000 0.491 471 G N 4.026 112.586 108.800 -0.400 0.000 2.234 471 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.235 471 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.235 471 G C 0.951 175.762 174.900 -0.149 0.000 0.997 471 G CA 0.353 45.243 45.100 -0.349 0.000 0.623 471 G HN 1.480 nan 8.290 nan 0.000 0.514 472 A N 0.942 123.790 122.820 0.047 0.000 2.172 472 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 472 A C 2.192 179.686 177.584 -0.150 0.000 1.154 472 A CA 2.080 54.183 52.037 0.111 0.000 0.701 472 A CB -0.355 18.869 19.000 0.375 0.000 0.789 472 A HN 0.979 nan 8.150 nan 0.000 0.465 473 Q N 0.501 119.964 119.800 -0.562 0.000 2.508 473 Q HA -0.116 4.224 4.340 -0.000 0.000 0.214 473 Q C 0.868 176.536 176.000 -0.554 0.000 0.979 473 Q CA 1.427 56.790 55.803 -0.734 0.000 0.911 473 Q CB -0.433 27.494 28.738 -1.353 0.000 0.969 473 Q HN 0.650 nan 8.270 nan 0.000 0.504 474 K N 0.113 119.993 120.400 -0.866 0.000 2.487 474 K HA 0.089 4.408 4.320 -0.000 0.000 0.192 474 K C -0.497 175.270 176.600 -1.390 0.000 1.027 474 K CA 0.147 55.784 56.287 -1.084 0.000 1.054 474 K CB 0.291 32.013 32.500 -1.297 0.000 0.824 474 K HN 0.118 nan 8.250 nan 0.000 0.510 475 F N 2.053 121.605 119.950 -0.664 0.000 2.471 475 F HA 0.251 4.778 4.527 -0.000 0.000 0.318 475 F C -2.272 173.359 175.800 -0.282 0.000 1.308 475 F CA -3.731 53.715 58.000 -0.923 0.000 1.162 475 F CB -0.067 38.575 39.000 -0.597 0.000 1.383 475 F HN -0.172 nan 8.300 nan 0.000 0.552 476 P HA -0.089 nan 4.420 nan 0.000 0.265 476 P C -0.043 177.206 177.300 -0.084 0.000 1.167 476 P CA 0.684 63.839 63.100 0.092 0.000 0.760 476 P CB 1.333 33.100 31.700 0.112 0.000 0.783 477 V N 1.292 121.126 119.914 -0.134 0.000 3.207 477 V HA -0.175 3.945 4.120 -0.000 0.000 0.455 477 V C -0.464 175.252 176.094 -0.629 0.000 0.682 477 V CA 0.517 62.535 62.300 -0.470 0.000 1.985 477 V CB -2.318 29.036 31.823 -0.782 0.000 2.454 477 V HN 0.802 nan 8.190 nan 0.000 0.494 478 H N 3.105 121.991 119.070 -0.308 0.000 2.572 478 H HA 0.753 5.309 4.556 -0.000 0.000 0.359 478 H C -0.198 174.928 175.328 -0.337 0.000 1.134 478 H CA 0.002 55.892 56.048 -0.264 0.000 1.187 478 H CB 1.535 31.196 29.762 -0.168 0.000 1.597 478 H HN 0.840 nan 8.280 nan 0.000 0.524 479 W N 2.105 123.117 121.300 -0.480 0.000 2.736 479 W HA 0.525 5.185 4.660 -0.000 0.000 0.335 479 W C 0.436 176.832 176.519 -0.205 0.000 1.059 479 W CA -1.396 55.613 57.345 -0.560 0.000 1.226 479 W CB 1.030 30.099 29.460 -0.653 0.000 1.416 479 W HN 0.688 nan 8.180 nan 0.000 0.505 480 G N 2.542 111.239 108.800 -0.172 0.000 2.780 480 G HA2 0.285 4.245 3.960 -0.000 0.000 0.205 480 G HA3 0.285 4.245 3.960 -0.000 0.000 0.205 480 G C 0.860 175.697 174.900 -0.105 0.000 1.158 480 G CA 0.693 45.915 45.100 0.205 0.000 0.812 480 G HN 1.640 nan 8.290 nan 0.000 0.521 481 G N 0.303 108.527 108.800 -0.960 0.000 2.601 481 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.252 481 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.252 481 G C -0.433 174.424 174.900 -0.073 0.000 1.294 481 G CA -0.072 44.591 45.100 -0.728 0.000 0.912 481 G HN 0.279 nan 8.290 nan 0.000 0.574 482 D N 1.473 121.778 120.400 -0.158 0.000 2.508 482 D HA 0.407 5.047 4.640 -0.000 0.000 0.224 482 D C 1.235 177.604 176.300 0.116 0.000 1.171 482 D CA 0.561 54.440 54.000 -0.202 0.000 1.006 482 D CB -0.802 39.815 40.800 -0.305 0.000 1.073 482 D HN 0.862 nan 8.370 nan 0.000 0.513 483 C N 0.437 119.873 119.300 0.227 0.000 2.362 483 C HA 0.609 5.069 4.460 -0.000 0.000 0.363 483 C C 0.377 175.557 174.990 0.317 0.000 1.220 483 C CA -1.089 58.131 59.018 0.336 0.000 2.379 483 C CB -0.105 27.910 27.740 0.458 0.000 2.351 483 C HN 0.400 nan 8.230 nan 0.000 0.582 484 Y N -0.253 120.238 120.300 0.319 0.000 2.403 484 Y HA 0.498 5.048 4.550 -0.000 0.000 0.323 484 Y C 0.992 177.083 175.900 0.318 0.000 1.226 484 Y CA -0.290 57.974 58.100 0.274 0.000 1.235 484 Y CB 1.212 39.805 38.460 0.221 0.000 1.248 484 Y HN 0.904 nan 8.280 nan 0.000 0.489 485 A N 3.001 126.013 122.820 0.320 0.000 3.077 485 A HA 0.255 4.575 4.320 -0.000 0.000 0.255 485 A C -0.718 177.040 177.584 0.289 0.000 1.728 485 A CA -0.183 52.002 52.037 0.247 0.000 1.383 485 A CB -1.804 17.246 19.000 0.084 0.000 1.097 485 A HN 0.791 nan 8.150 nan 0.000 0.634 486 N N -2.795 116.149 118.700 0.406 0.000 2.732 486 N HA 0.420 5.160 4.740 -0.000 0.000 0.259 486 N C -0.063 175.590 175.510 0.239 0.000 1.402 486 N CA -0.826 52.343 53.050 0.199 0.000 0.829 486 N CB 0.332 38.938 38.487 0.198 0.000 1.495 486 N HN -0.086 nan 8.380 nan 0.000 0.511 487 Y N -0.162 120.322 120.300 0.307 0.000 2.224 487 Y HA -0.046 4.504 4.550 -0.000 0.000 0.289 487 Y C 1.681 177.710 175.900 0.215 0.000 1.146 487 Y CA 1.358 59.636 58.100 0.297 0.000 1.182 487 Y CB -0.409 38.243 38.460 0.320 0.000 0.983 487 Y HN 0.654 nan 8.280 nan 0.000 0.524 488 E N -0.636 119.748 120.200 0.306 0.000 2.077 488 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 488 E C 2.443 179.144 176.600 0.168 0.000 0.989 488 E CA 1.531 58.033 56.400 0.169 0.000 0.800 488 E CB -0.509 29.271 29.700 0.134 0.000 0.746 488 E HN 0.203 nan 8.360 nan 0.000 0.452 489 S N -0.651 115.196 115.700 0.244 0.000 2.453 489 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 489 S C 1.811 176.577 174.600 0.277 0.000 1.005 489 S CA 0.779 59.157 58.200 0.296 0.000 0.949 489 S CB -0.125 63.341 63.200 0.443 0.000 0.774 489 S HN 0.281 nan 8.310 nan 0.000 0.510 490 M N 0.843 120.509 119.600 0.110 0.000 2.156 490 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 490 M C 2.121 178.517 176.300 0.160 0.000 1.067 490 M CA 1.538 56.664 55.300 -0.290 0.000 1.131 490 M CB -0.448 31.840 32.600 -0.520 0.000 1.368 490 M HN 0.429 nan 8.290 nan 0.000 0.416 491 A N 1.198 124.125 122.820 0.179 0.000 1.858 491 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 491 A C 1.928 179.549 177.584 0.062 0.000 1.190 491 A CA 2.062 54.050 52.037 -0.081 0.000 0.617 491 A CB -1.210 17.513 19.000 -0.462 0.000 0.827 491 A HN 0.777 nan 8.150 nan 0.000 0.443 492 E N -0.165 120.104 120.200 0.115 0.000 2.160 492 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 492 E C 1.880 178.695 176.600 0.359 0.000 0.991 492 E CA 1.667 58.187 56.400 0.200 0.000 0.810 492 E CB -0.420 29.389 29.700 0.181 0.000 0.742 492 E HN 0.440 nan 8.360 nan 0.000 0.466 493 S N 0.707 116.637 115.700 0.384 0.000 2.402 493 S HA -0.080 4.390 4.470 -0.000 0.000 0.229 493 S C 1.753 176.676 174.600 0.538 0.000 1.021 493 S CA 0.894 59.440 58.200 0.577 0.000 0.974 493 S CB -0.250 63.341 63.200 0.652 0.000 0.800 493 S HN 0.276 nan 8.310 nan 0.000 0.484 494 L N 2.364 123.829 121.223 0.403 0.000 2.056 494 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 494 L C 2.126 178.985 176.870 -0.018 0.000 1.078 494 L CA 1.641 56.640 54.840 0.265 0.000 0.749 494 L CB -0.517 41.640 42.059 0.163 0.000 0.901 494 L HN 0.106 nan 8.230 nan 0.000 0.433 495 R N -0.470 120.048 120.500 0.030 0.000 2.091 495 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 495 R C 2.209 178.400 176.300 -0.181 0.000 1.136 495 R CA 1.210 57.282 56.100 -0.046 0.000 0.959 495 R CB -1.056 29.253 30.300 0.015 0.000 0.856 495 R HN 0.580 nan 8.270 nan 0.000 0.437 496 G N 0.391 109.111 108.800 -0.133 0.000 2.421 496 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 496 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 496 G C 1.520 175.971 174.900 -0.748 0.000 1.171 496 G CA 0.854 45.708 45.100 -0.409 0.000 0.775 496 G HN 0.457 nan 8.290 nan 0.000 0.543 497 G N 0.758 108.796 108.800 -1.271 0.000 2.418 497 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 497 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 497 G C 1.821 176.137 174.900 -0.973 0.000 1.158 497 G CA 0.705 44.484 45.100 -2.201 0.000 0.771 497 G HN 0.412 nan 8.290 nan 0.000 0.545 498 L N 0.694 121.566 121.223 -0.584 0.000 2.017 498 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 498 L C 3.233 179.931 176.870 -0.285 0.000 1.073 498 L CA 1.336 55.983 54.840 -0.322 0.000 0.745 498 L CB -0.472 41.483 42.059 -0.173 0.000 0.894 498 L HN 0.189 nan 8.230 nan 0.000 0.432 499 S N -0.007 115.511 115.700 -0.304 0.000 2.370 499 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 499 S C 1.958 176.407 174.600 -0.252 0.000 1.033 499 S CA 1.475 59.529 58.200 -0.244 0.000 1.011 499 S CB -0.334 62.700 63.200 -0.276 0.000 0.852 499 S HN 0.335 nan 8.310 nan 0.000 0.457 500 I N 1.282 121.628 120.570 -0.374 0.000 2.361 500 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 500 I C 2.263 178.311 176.117 -0.114 0.000 1.133 500 I CA 1.111 62.230 61.300 -0.301 0.000 1.413 500 I CB -0.485 37.226 38.000 -0.483 0.000 1.073 500 I HN 0.385 nan 8.210 nan 0.000 0.424 501 G N 0.521 109.212 108.800 -0.182 0.000 2.422 501 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 501 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 501 G C 1.489 176.333 174.900 -0.093 0.000 1.140 501 G CA 0.256 45.285 45.100 -0.120 0.000 0.775 501 G HN 0.391 nan 8.290 nan 0.000 0.545 502 L N 1.058 122.224 121.223 -0.096 0.000 2.650 502 L HA 0.151 4.491 4.340 -0.000 0.000 0.235 502 L C 1.271 178.154 176.870 0.021 0.000 1.149 502 L CA 0.122 54.930 54.840 -0.055 0.000 0.887 502 L CB 0.398 42.420 42.059 -0.061 0.000 1.021 502 L HN 0.087 nan 8.230 nan 0.000 0.441 503 S N -0.880 114.827 115.700 0.011 0.000 2.855 503 S HA 0.355 4.824 4.470 -0.000 0.000 0.249 503 S C 1.119 175.698 174.600 -0.035 0.000 1.033 503 S CA 0.342 58.562 58.200 0.033 0.000 1.038 503 S CB 1.224 64.490 63.200 0.110 0.000 0.960 503 S HN 0.505 nan 8.310 nan 0.000 0.548 504 G N 1.300 110.036 108.800 -0.106 0.000 2.176 504 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 504 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 504 G C -0.156 174.450 174.900 -0.490 0.000 0.986 504 G CA -0.541 44.420 45.100 -0.231 0.000 0.643 504 G HN 0.447 nan 8.290 nan 0.000 0.522 505 F N 1.143 120.966 119.950 -0.211 0.000 2.410 505 F HA 0.570 5.097 4.527 -0.000 0.000 0.349 505 F C 1.624 177.275 175.800 -0.249 0.000 1.117 505 F CA 0.289 58.151 58.000 -0.229 0.000 1.104 505 F CB 1.817 40.662 39.000 -0.259 0.000 1.122 505 F HN 0.009 nan 8.300 nan 0.000 0.483 506 G N 3.044 111.710 108.800 -0.223 0.000 2.453 506 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.215 506 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.215 506 G C -0.079 174.311 174.900 -0.850 0.000 1.147 506 G CA 0.326 45.061 45.100 -0.607 0.000 0.802 506 G HN 0.363 nan 8.290 nan 0.000 0.535 507 F N -1.527 118.504 119.950 0.136 0.000 2.507 507 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 507 F C -0.685 175.226 175.800 0.186 0.000 1.116 507 F CA -1.618 56.474 58.000 0.152 0.000 0.930 507 F CB 1.801 40.825 39.000 0.039 0.000 1.146 507 F HN 0.067 nan 8.300 nan 0.000 0.447 508 W N 2.487 123.851 121.300 0.106 0.000 2.950 508 W HA 0.721 5.381 4.660 -0.000 0.000 0.340 508 W C -1.035 175.498 176.519 0.024 0.000 1.139 508 W CA -0.780 56.564 57.345 -0.002 0.000 1.188 508 W CB 2.123 31.555 29.460 -0.046 0.000 1.426 508 W HN 0.530 nan 8.180 nan 0.000 0.531 509 S N 1.749 116.962 115.700 -0.812 0.000 2.732 509 S HA 0.831 5.301 4.470 -0.000 0.000 0.293 509 S C -1.469 172.572 174.600 -0.931 0.000 1.159 509 S CA -0.469 57.336 58.200 -0.658 0.000 0.847 509 S CB 1.051 63.956 63.200 -0.491 0.000 1.169 509 S HN 0.748 nan 8.310 nan 0.000 0.501 510 H N -1.003 117.686 119.070 -0.634 0.000 3.024 510 H HA 0.431 4.987 4.556 -0.000 0.000 0.324 510 H C -2.032 173.251 175.328 -0.075 0.000 1.347 510 H CA -1.107 54.756 56.048 -0.308 0.000 1.182 510 H CB 0.203 29.731 29.762 -0.391 0.000 1.889 510 H HN 0.315 nan 8.280 nan 0.000 0.528 511 D N 2.239 122.686 120.400 0.078 0.000 2.359 511 D HA 0.142 4.782 4.640 -0.000 0.000 0.250 511 D C 0.369 176.441 176.300 -0.380 0.000 1.264 511 D CA 0.069 54.022 54.000 -0.079 0.000 0.911 511 D CB 0.414 41.280 40.800 0.110 0.000 1.056 511 D HN 0.361 nan 8.370 nan 0.000 0.499 512 I N 1.565 121.859 120.570 -0.460 0.000 2.742 512 I HA 0.017 4.187 4.170 -0.000 0.000 0.287 512 I C 1.692 177.321 176.117 -0.812 0.000 1.186 512 I CA 0.578 61.477 61.300 -0.669 0.000 1.417 512 I CB 0.189 37.945 38.000 -0.405 0.000 1.377 512 I HN 0.642 nan 8.210 nan 0.000 0.556 513 G N 3.954 111.899 108.800 -1.426 0.000 2.213 513 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.236 513 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.236 513 G C 0.528 174.880 174.900 -0.913 0.000 0.991 513 G CA -0.130 44.476 45.100 -0.823 0.000 0.629 513 G HN 1.608 nan 8.290 nan 0.000 0.517 514 G N -1.790 106.260 108.800 -1.251 0.000 2.675 514 G HA2 0.241 4.201 3.960 -0.000 0.000 0.686 514 G HA3 0.241 4.201 3.960 -0.000 0.000 0.686 514 G C 0.082 174.879 174.900 -0.172 0.000 1.215 514 G CA 0.206 44.942 45.100 -0.607 0.000 0.777 514 G HN 1.547 nan 8.290 nan 0.000 0.638 515 F N 0.639 120.508 119.950 -0.134 0.000 2.274 515 F HA 0.414 4.941 4.527 -0.000 0.000 0.288 515 F C 1.177 176.907 175.800 -0.117 0.000 1.069 515 F CA 1.037 58.995 58.000 -0.071 0.000 1.343 515 F CB 0.272 39.309 39.000 0.061 0.000 1.089 515 F HN 0.454 nan 8.300 nan 0.000 0.517 516 E N 2.225 122.337 120.200 -0.146 0.000 2.249 516 E HA 0.236 4.586 4.350 -0.000 0.000 0.280 516 E C -0.722 175.742 176.600 -0.226 0.000 1.016 516 E CA -0.261 55.916 56.400 -0.372 0.000 0.830 516 E CB 0.846 30.083 29.700 -0.772 0.000 1.081 516 E HN 0.476 nan 8.360 nan 0.000 0.395 517 N N 0.356 118.972 118.700 -0.139 0.000 5.617 517 N HA -0.124 4.616 4.740 -0.000 0.000 0.380 517 N C -1.111 174.375 175.510 -0.040 0.000 1.335 517 N CA 0.400 53.436 53.050 -0.023 0.000 2.459 517 N CB -0.240 38.313 38.487 0.110 0.000 0.592 517 N HN 0.347 nan 8.380 nan 0.000 0.666 518 T N 0.919 115.463 114.554 -0.016 0.000 2.758 518 T HA 0.577 4.926 4.350 -0.000 0.000 0.285 518 T C 0.117 174.853 174.700 0.060 0.000 0.981 518 T CA -0.310 61.782 62.100 -0.012 0.000 0.965 518 T CB 1.281 70.094 68.868 -0.093 0.000 0.927 518 T HN 0.603 nan 8.240 nan 0.000 0.448 519 A N 6.096 129.002 122.820 0.143 0.000 2.388 519 A HA 0.644 4.964 4.320 -0.000 0.000 0.257 519 A C -1.998 175.684 177.584 0.164 0.000 1.095 519 A CA -1.452 50.664 52.037 0.132 0.000 0.791 519 A CB -0.118 18.950 19.000 0.113 0.000 1.029 519 A HN 0.527 nan 8.150 nan 0.000 0.489 520 P HA 0.135 nan 4.420 nan 0.000 0.271 520 P C 0.844 178.205 177.300 0.102 0.000 1.233 520 P CA 0.472 63.622 63.100 0.083 0.000 0.789 520 P CB 0.732 32.481 31.700 0.082 0.000 0.951 521 A N 1.857 124.804 122.820 0.211 0.000 1.948 521 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 521 A C 2.070 179.711 177.584 0.095 0.000 1.177 521 A CA 2.336 54.482 52.037 0.181 0.000 0.636 521 A CB -2.020 17.062 19.000 0.137 0.000 0.815 521 A HN 0.840 nan 8.150 nan 0.000 0.449 522 H N -1.998 117.137 119.070 0.108 0.000 2.321 522 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 522 H C 1.705 177.266 175.328 0.389 0.000 1.087 522 H CA 1.318 57.512 56.048 0.244 0.000 1.319 522 H CB -0.784 29.290 29.762 0.520 0.000 1.379 522 H HN 0.104 nan 8.280 nan 0.000 0.501 523 V N 0.802 120.595 119.914 -0.201 0.000 2.287 523 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 523 V C 2.354 178.549 176.094 0.169 0.000 1.053 523 V CA 2.171 64.385 62.300 -0.143 0.000 1.027 523 V CB -0.925 30.638 31.823 -0.434 0.000 0.646 523 V HN 0.496 nan 8.190 nan 0.000 0.447 524 Y N 0.997 121.252 120.300 -0.076 0.000 2.207 524 Y HA -0.287 4.263 4.550 -0.000 0.000 0.287 524 Y C 2.444 178.317 175.900 -0.044 0.000 1.156 524 Y CA 2.132 60.109 58.100 -0.205 0.000 1.182 524 Y CB -0.110 37.897 38.460 -0.755 0.000 0.979 524 Y HN 0.128 nan 8.280 nan 0.000 0.521 525 K N 0.058 120.522 120.400 0.106 0.000 2.001 525 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 525 K C 2.132 178.889 176.600 0.263 0.000 1.048 525 K CA 1.388 57.768 56.287 0.155 0.000 0.932 525 K CB -0.134 32.439 32.500 0.122 0.000 0.715 525 K HN 0.077 nan 8.250 nan 0.000 0.437 526 R N -0.172 120.564 120.500 0.395 0.000 2.083 526 R HA -0.165 4.174 4.340 -0.000 0.000 0.237 526 R C 2.090 178.523 176.300 0.221 0.000 1.137 526 R CA 1.192 57.477 56.100 0.308 0.000 0.951 526 R CB -1.034 29.496 30.300 0.384 0.000 0.851 526 R HN 0.441 nan 8.270 nan 0.000 0.434 527 W N 1.053 122.401 121.300 0.081 0.000 2.392 527 W HA -0.167 4.493 4.660 -0.000 0.000 0.279 527 W C 1.999 178.473 176.519 -0.075 0.000 1.225 527 W CA 0.270 57.666 57.345 0.085 0.000 1.233 527 W CB -0.485 28.994 29.460 0.031 0.000 1.122 527 W HN 0.073 nan 8.180 nan 0.000 0.561 528 C N -0.055 119.260 119.300 0.025 0.000 2.446 528 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 528 C C 3.086 178.008 174.990 -0.114 0.000 1.275 528 C CA 1.660 60.606 59.018 -0.119 0.000 1.727 528 C CB -1.505 26.126 27.740 -0.182 0.000 2.010 528 C HN 0.352 nan 8.230 nan 0.000 0.486 529 A N 0.250 122.908 122.820 -0.270 0.000 1.858 529 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 529 A C 1.962 179.418 177.584 -0.214 0.000 1.190 529 A CA 1.754 53.296 52.037 -0.825 0.000 0.617 529 A CB -0.936 17.551 19.000 -0.855 0.000 0.827 529 A HN 0.494 nan 8.150 nan 0.000 0.443 530 F N 1.465 121.336 119.950 -0.132 0.000 2.065 530 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 530 F C 2.324 178.258 175.800 0.225 0.000 1.112 530 F CA 1.532 59.578 58.000 0.076 0.000 1.212 530 F CB -1.148 37.877 39.000 0.041 0.000 0.975 530 F HN 0.180 nan 8.300 nan 0.000 0.476 531 G N 0.794 109.634 108.800 0.066 0.000 2.442 531 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.219 531 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.219 531 G C 1.660 176.545 174.900 -0.025 0.000 1.141 531 G CA 0.796 45.785 45.100 -0.185 0.000 0.763 531 G HN 0.381 nan 8.290 nan 0.000 0.554 532 L N -0.173 121.070 121.223 0.033 0.000 2.313 532 L HA 0.186 4.526 4.340 -0.000 0.000 0.214 532 L C 1.463 178.436 176.870 0.172 0.000 1.119 532 L CA 0.652 55.556 54.840 0.108 0.000 0.809 532 L CB -0.497 41.656 42.059 0.157 0.000 0.933 532 L HN 0.145 nan 8.230 nan 0.000 0.449 533 L N -0.567 120.777 121.223 0.203 0.000 2.928 533 L HA 0.228 4.567 4.340 -0.000 0.000 0.236 533 L C 0.360 177.471 176.870 0.401 0.000 1.290 533 L CA 0.292 55.313 54.840 0.301 0.000 1.099 533 L CB -0.722 41.517 42.059 0.300 0.000 1.437 533 L HN 0.005 nan 8.230 nan 0.000 0.493 534 S N -1.875 114.005 115.700 0.300 0.000 2.634 534 S HA 0.322 4.792 4.470 -0.000 0.000 0.296 534 S C 1.138 175.904 174.600 0.276 0.000 1.104 534 S CA -0.018 58.355 58.200 0.290 0.000 0.920 534 S CB 2.011 65.358 63.200 0.245 0.000 1.111 534 S HN 0.380 nan 8.310 nan 0.000 0.493 535 S N 0.826 116.722 115.700 0.327 0.000 2.370 535 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 535 S C 0.180 174.860 174.600 0.134 0.000 1.033 535 S CA 1.348 59.798 58.200 0.417 0.000 1.011 535 S CB -0.428 63.165 63.200 0.654 0.000 0.852 535 S HN 0.764 nan 8.310 nan 0.000 0.457 536 H N -0.128 118.986 119.070 0.073 0.000 2.771 536 H HA 0.695 5.251 4.556 -0.000 0.000 0.361 536 H C -1.123 174.159 175.328 -0.075 0.000 1.108 536 H CA -0.455 55.556 56.048 -0.062 0.000 1.201 536 H CB 2.178 31.791 29.762 -0.248 0.000 1.681 536 H HN 0.167 nan 8.280 nan 0.000 0.534 537 S N 2.723 118.445 115.700 0.036 0.000 2.500 537 S HA 0.671 5.141 4.470 -0.000 0.000 0.301 537 S C -0.628 173.957 174.600 -0.025 0.000 1.092 537 S CA -0.974 57.209 58.200 -0.029 0.000 1.030 537 S CB 1.958 65.181 63.200 0.039 0.000 1.031 537 S HN 0.571 nan 8.310 nan 0.000 0.483 538 R N 2.110 122.529 120.500 -0.135 0.000 2.548 538 R HA 0.438 4.778 4.340 -0.000 0.000 0.280 538 R C -1.941 174.274 176.300 -0.142 0.000 1.061 538 R CA -0.592 55.435 56.100 -0.122 0.000 0.915 538 R CB 0.990 31.095 30.300 -0.324 0.000 1.210 538 R HN 0.644 nan 8.270 nan 0.000 0.442 539 L N 4.456 125.633 121.223 -0.077 0.000 2.255 539 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 539 L C -0.587 176.270 176.870 -0.022 0.000 1.046 539 L CA -0.470 54.323 54.840 -0.077 0.000 0.816 539 L CB 0.922 42.949 42.059 -0.054 0.000 1.197 539 L HN 0.624 nan 8.230 nan 0.000 0.427 540 H N 2.240 121.225 119.070 -0.141 0.000 2.974 540 H HA 0.745 5.301 4.556 -0.000 0.000 0.366 540 H C -0.735 174.575 175.328 -0.030 0.000 1.155 540 H CA -0.327 55.670 56.048 -0.084 0.000 1.186 540 H CB 2.112 31.806 29.762 -0.114 0.000 1.799 540 H HN 0.567 nan 8.280 nan 0.000 0.541 541 G N 0.974 109.427 108.800 -0.577 0.000 2.694 541 G HA2 0.364 4.324 3.960 -0.000 0.000 0.290 541 G HA3 0.364 4.324 3.960 -0.000 0.000 0.290 541 G C -0.283 174.195 174.900 -0.703 0.000 1.386 541 G CA -0.024 44.790 45.100 -0.477 0.000 0.872 541 G HN 0.613 nan 8.290 nan 0.000 0.475 542 S N -0.864 114.318 115.700 -0.863 0.000 2.370 542 S HA 0.080 4.550 4.470 -0.000 0.000 0.214 542 S C 1.796 176.229 174.600 -0.277 0.000 1.033 542 S CA 1.200 58.912 58.200 -0.814 0.000 0.941 542 S CB -0.168 62.259 63.200 -1.290 0.000 0.886 542 S HN 0.483 nan 8.310 nan 0.000 0.521 543 K N 0.814 121.038 120.400 -0.294 0.000 2.367 543 K HA 0.234 4.554 4.320 -0.000 0.000 0.195 543 K C 0.215 176.639 176.600 -0.292 0.000 1.060 543 K CA 0.155 56.306 56.287 -0.226 0.000 1.022 543 K CB 0.815 33.214 32.500 -0.168 0.000 0.894 543 K HN 0.420 nan 8.250 nan 0.000 0.540 544 S N -0.298 115.214 115.700 -0.313 0.000 2.599 544 S HA 0.444 4.914 4.470 -0.000 0.000 0.294 544 S C -0.541 173.861 174.600 -0.330 0.000 1.094 544 S CA -1.007 56.972 58.200 -0.368 0.000 0.931 544 S CB 0.712 63.747 63.200 -0.275 0.000 1.093 544 S HN -0.025 nan 8.310 nan 0.000 0.488 545 Y N 0.821 121.033 120.300 -0.146 0.000 2.426 545 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 545 Y C 1.760 177.504 175.900 -0.260 0.000 1.256 545 Y CA -0.683 57.285 58.100 -0.219 0.000 1.451 545 Y CB 0.458 38.797 38.460 -0.202 0.000 1.342 545 Y HN 0.564 nan 8.280 nan 0.000 0.600 546 R N 0.969 121.394 120.500 -0.125 0.000 2.546 546 R HA 0.179 4.519 4.340 -0.000 0.000 0.320 546 R C -0.822 175.382 176.300 -0.160 0.000 1.021 546 R CA -0.189 55.873 56.100 -0.064 0.000 1.088 546 R CB -0.650 29.622 30.300 -0.047 0.000 1.278 546 R HN 0.504 nan 8.270 nan 0.000 0.557 547 V N -0.756 118.879 119.914 -0.465 0.000 2.740 547 V HA 0.153 4.273 4.120 -0.000 0.000 0.303 547 V C -1.545 174.207 176.094 -0.569 0.000 1.054 547 V CA -1.308 60.511 62.300 -0.802 0.000 1.106 547 V CB 0.808 31.630 31.823 -1.668 0.000 0.957 547 V HN -0.066 nan 8.190 nan 0.000 0.486 548 P HA -0.092 nan 4.420 nan 0.000 0.215 548 P C 1.347 178.664 177.300 0.028 0.000 1.157 548 P CA 1.994 65.083 63.100 -0.018 0.000 0.868 548 P CB -0.160 31.652 31.700 0.188 0.000 0.788 549 W N -0.094 121.260 121.300 0.089 0.000 2.538 549 W HA 0.148 4.808 4.660 -0.000 0.000 0.254 549 W C 1.735 178.267 176.519 0.022 0.000 1.249 549 W CA 0.655 58.036 57.345 0.060 0.000 1.253 549 W CB -1.855 27.635 29.460 0.051 0.000 1.130 549 W HN -0.131 nan 8.180 nan 0.000 0.618 550 A N -0.290 122.399 122.820 -0.218 0.000 2.066 550 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 550 A C 1.431 178.781 177.584 -0.389 0.000 1.157 550 A CA 1.126 52.994 52.037 -0.281 0.000 0.670 550 A CB -0.724 17.993 19.000 -0.472 0.000 0.804 550 A HN 0.469 nan 8.150 nan 0.000 0.453 551 Y N -0.018 120.131 120.300 -0.253 0.000 2.284 551 Y HA 0.277 4.827 4.550 -0.000 0.000 0.293 551 Y C 0.706 176.561 175.900 -0.075 0.000 1.140 551 Y CA 0.321 58.290 58.100 -0.218 0.000 1.153 551 Y CB 0.265 38.486 38.460 -0.400 0.000 1.114 551 Y HN 0.539 nan 8.280 nan 0.000 0.521 552 D N -2.919 117.569 120.400 0.145 0.000 2.769 552 D HA 0.032 4.672 4.640 -0.000 0.000 0.309 552 D C -0.231 176.151 176.300 0.137 0.000 1.315 552 D CA -0.290 53.780 54.000 0.118 0.000 0.780 552 D CB 0.137 40.990 40.800 0.089 0.000 1.312 552 D HN -0.086 nan 8.370 nan 0.000 0.437 553 D N 0.139 120.608 120.400 0.115 0.000 2.084 553 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 553 D C 1.453 177.826 176.300 0.121 0.000 0.990 553 D CA 1.591 55.661 54.000 0.117 0.000 0.826 553 D CB -0.042 40.811 40.800 0.089 0.000 0.971 553 D HN 0.701 nan 8.370 nan 0.000 0.453 554 E N 0.943 121.204 120.200 0.100 0.000 2.130 554 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 554 E C 2.002 178.679 176.600 0.128 0.000 0.998 554 E CA 1.261 57.722 56.400 0.101 0.000 0.806 554 E CB 0.116 29.859 29.700 0.072 0.000 0.738 554 E HN -0.007 nan 8.360 nan 0.000 0.459 555 S N -0.140 115.641 115.700 0.135 0.000 2.387 555 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 555 S C 2.052 176.798 174.600 0.243 0.000 1.035 555 S CA 1.222 59.550 58.200 0.213 0.000 1.014 555 S CB -0.447 62.895 63.200 0.238 0.000 0.836 555 S HN 0.483 nan 8.310 nan 0.000 0.466 556 C N 1.694 121.126 119.300 0.219 0.000 2.440 556 C HA -0.044 4.416 4.460 -0.000 0.000 0.278 556 C C 2.412 177.514 174.990 0.187 0.000 1.295 556 C CA 0.270 59.423 59.018 0.224 0.000 1.738 556 C CB -1.172 26.705 27.740 0.228 0.000 1.987 556 C HN 0.559 nan 8.230 nan 0.000 0.492 557 D N 0.608 121.105 120.400 0.161 0.000 2.123 557 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 557 D C 2.218 178.617 176.300 0.165 0.000 0.976 557 D CA 0.984 55.065 54.000 0.134 0.000 0.831 557 D CB -0.446 40.412 40.800 0.096 0.000 0.974 557 D HN 0.276 nan 8.370 nan 0.000 0.469 558 V N 1.024 121.065 119.914 0.211 0.000 2.255 558 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 558 V C 2.717 179.042 176.094 0.384 0.000 1.051 558 V CA 1.142 63.635 62.300 0.323 0.000 1.018 558 V CB -0.528 31.513 31.823 0.364 0.000 0.641 558 V HN 0.047 nan 8.190 nan 0.000 0.445 559 V N -0.353 119.732 119.914 0.285 0.000 2.407 559 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 559 V C 2.564 178.787 176.094 0.214 0.000 1.055 559 V CA 2.265 64.712 62.300 0.244 0.000 1.049 559 V CB -0.774 31.163 31.823 0.190 0.000 0.662 559 V HN 0.450 nan 8.190 nan 0.000 0.455 560 R N -0.953 119.656 120.500 0.181 0.000 2.066 560 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 560 R C 2.319 178.669 176.300 0.083 0.000 1.131 560 R CA 1.974 58.151 56.100 0.128 0.000 0.955 560 R CB -0.396 29.973 30.300 0.115 0.000 0.851 560 R HN 0.520 nan 8.270 nan 0.000 0.432 561 F N 0.365 120.252 119.950 -0.105 0.000 2.069 561 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 561 F C 1.619 177.200 175.800 -0.363 0.000 1.113 561 F CA 1.655 59.467 58.000 -0.314 0.000 1.214 561 F CB -0.250 38.440 39.000 -0.517 0.000 0.978 561 F HN -0.043 nan 8.300 nan 0.000 0.474 562 F N 0.222 120.141 119.950 -0.052 0.000 2.259 562 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 562 F C 2.519 178.269 175.800 -0.083 0.000 1.088 562 F CA 1.517 59.437 58.000 -0.134 0.000 1.358 562 F CB -1.391 37.657 39.000 0.079 0.000 1.040 562 F HN -0.125 nan 8.300 nan 0.000 0.505 563 T N -0.569 114.073 114.554 0.146 0.000 2.708 563 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 563 T C 1.934 176.676 174.700 0.070 0.000 1.037 563 T CA 1.446 63.631 62.100 0.141 0.000 1.146 563 T CB -0.319 68.648 68.868 0.165 0.000 0.865 563 T HN 0.287 nan 8.240 nan 0.000 0.435 564 Q N 0.121 119.906 119.800 -0.025 0.000 2.084 564 Q HA -0.067 4.272 4.340 -0.000 0.000 0.202 564 Q C 2.337 178.262 176.000 -0.125 0.000 0.978 564 Q CA 1.115 56.875 55.803 -0.072 0.000 0.844 564 Q CB -0.353 28.308 28.738 -0.128 0.000 0.898 564 Q HN 0.326 nan 8.270 nan 0.000 0.426 565 L N 1.359 122.417 121.223 -0.275 0.000 1.970 565 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 565 L C 2.232 179.079 176.870 -0.037 0.000 1.071 565 L CA 2.004 56.684 54.840 -0.266 0.000 0.751 565 L CB -0.479 41.301 42.059 -0.466 0.000 0.889 565 L HN 0.031 nan 8.230 nan 0.000 0.432 566 K N -1.199 119.226 120.400 0.041 0.000 2.074 566 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 566 K C 2.108 178.781 176.600 0.121 0.000 1.048 566 K CA 1.966 58.323 56.287 0.117 0.000 0.926 566 K CB -0.408 32.186 32.500 0.156 0.000 0.713 566 K HN 0.559 nan 8.250 nan 0.000 0.444 567 C N 0.529 119.899 119.300 0.116 0.000 2.422 567 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 567 C C 2.505 177.637 174.990 0.237 0.000 1.305 567 C CA 0.525 59.647 59.018 0.174 0.000 1.757 567 C CB -0.850 26.974 27.740 0.139 0.000 1.962 567 C HN 0.470 nan 8.230 nan 0.000 0.499 568 R N -0.026 120.558 120.500 0.139 0.000 2.153 568 R HA 0.093 4.433 4.340 -0.000 0.000 0.218 568 R C 1.847 178.237 176.300 0.150 0.000 1.072 568 R CA 0.859 57.051 56.100 0.154 0.000 0.990 568 R CB -0.193 30.141 30.300 0.056 0.000 0.889 568 R HN 0.565 nan 8.270 nan 0.000 0.452 569 M N 0.012 119.682 119.600 0.118 0.000 2.618 569 M HA 0.032 4.512 4.480 -0.000 0.000 0.240 569 M C 1.507 177.841 176.300 0.056 0.000 1.123 569 M CA 0.436 55.808 55.300 0.119 0.000 1.060 569 M CB 0.184 32.879 32.600 0.158 0.000 1.535 569 M HN 0.021 nan 8.290 nan 0.000 0.507 570 M N 0.087 119.675 119.600 -0.021 0.000 2.267 570 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 570 M C -0.760 175.107 176.300 -0.721 0.000 1.063 570 M CA 1.564 56.678 55.300 -0.309 0.000 1.090 570 M CB -2.001 30.474 32.600 -0.209 0.000 1.392 570 M HN 0.006 nan 8.290 nan 0.000 0.422 571 P HA -0.155 nan 4.420 nan 0.000 0.217 571 P C 1.511 178.653 177.300 -0.264 0.000 1.151 571 P CA 1.102 63.879 63.100 -0.539 0.000 0.828 571 P CB -0.247 31.352 31.700 -0.169 0.000 0.788 572 Y N 0.104 120.277 120.300 -0.212 0.000 2.130 572 Y HA -0.121 4.429 4.550 -0.000 0.000 0.287 572 Y C 1.944 177.754 175.900 -0.149 0.000 1.124 572 Y CA 1.236 59.266 58.100 -0.117 0.000 1.118 572 Y CB -1.209 37.226 38.460 -0.041 0.000 0.994 572 Y HN -0.285 nan 8.280 nan 0.000 0.497 573 L N -0.162 120.891 121.223 -0.283 0.000 1.978 573 L HA -0.290 4.050 4.340 -0.000 0.000 0.218 573 L C 2.349 178.973 176.870 -0.410 0.000 1.075 573 L CA 2.074 56.703 54.840 -0.352 0.000 0.767 573 L CB -1.856 40.115 42.059 -0.147 0.000 0.890 573 L HN 0.401 nan 8.230 nan 0.000 0.434 574 Y N -0.147 119.741 120.300 -0.687 0.000 2.333 574 Y HA -0.242 4.308 4.550 -0.000 0.000 0.290 574 Y C 2.733 178.359 175.900 -0.457 0.000 1.144 574 Y CA 1.475 59.139 58.100 -0.725 0.000 1.228 574 Y CB -0.163 37.689 38.460 -1.013 0.000 0.985 574 Y HN 0.132 nan 8.280 nan 0.000 0.542 575 R N 0.724 121.005 120.500 -0.366 0.000 2.066 575 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 575 R C 1.894 178.021 176.300 -0.289 0.000 1.131 575 R CA 1.868 57.800 56.100 -0.280 0.000 0.955 575 R CB -0.469 29.714 30.300 -0.195 0.000 0.851 575 R HN 0.153 nan 8.270 nan 0.000 0.432 576 E N 0.425 120.411 120.200 -0.356 0.000 2.153 576 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 576 E C 1.842 178.331 176.600 -0.185 0.000 0.988 576 E CA 1.341 57.565 56.400 -0.294 0.000 0.811 576 E CB -0.383 29.079 29.700 -0.396 0.000 0.746 576 E HN 0.474 nan 8.360 nan 0.000 0.466 577 A N 1.515 124.228 122.820 -0.178 0.000 1.898 577 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 577 A C 2.429 179.999 177.584 -0.024 0.000 1.181 577 A CA 1.863 53.933 52.037 0.055 0.000 0.620 577 A CB -0.554 18.427 19.000 -0.030 0.000 0.819 577 A HN 0.262 nan 8.150 nan 0.000 0.442 578 A N -0.534 122.137 122.820 -0.248 0.000 2.019 578 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 578 A C 2.203 179.722 177.584 -0.108 0.000 1.164 578 A CA 1.632 53.557 52.037 -0.187 0.000 0.644 578 A CB -0.484 18.384 19.000 -0.221 0.000 0.805 578 A HN 0.555 nan 8.150 nan 0.000 0.449 579 R N -0.502 119.925 120.500 -0.121 0.000 2.075 579 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 579 R C 2.274 178.505 176.300 -0.114 0.000 1.126 579 R CA 1.221 57.252 56.100 -0.113 0.000 0.963 579 R CB -0.332 29.892 30.300 -0.128 0.000 0.858 579 R HN 0.448 nan 8.270 nan 0.000 0.435 580 A N 0.998 123.744 122.820 -0.124 0.000 1.972 580 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 580 A C 1.887 179.400 177.584 -0.119 0.000 1.169 580 A CA 1.506 53.427 52.037 -0.192 0.000 0.635 580 A CB -0.732 18.008 19.000 -0.435 0.000 0.810 580 A HN 0.545 nan 8.150 nan 0.000 0.446 581 N N -0.152 118.533 118.700 -0.026 0.000 2.354 581 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 581 N C 1.701 177.173 175.510 -0.063 0.000 1.021 581 N CA 1.073 54.116 53.050 -0.012 0.000 0.887 581 N CB -0.059 38.448 38.487 0.034 0.000 0.974 581 N HN 0.372 nan 8.380 nan 0.000 0.437 582 A N 0.596 123.372 122.820 -0.073 0.000 1.956 582 A HA 0.190 4.509 4.320 -0.000 0.000 0.212 582 A C 1.974 179.504 177.584 -0.091 0.000 1.188 582 A CA 0.347 52.338 52.037 -0.076 0.000 0.675 582 A CB 0.154 19.113 19.000 -0.069 0.000 0.845 582 A HN 0.195 nan 8.150 nan 0.000 0.455 583 R N -1.757 118.682 120.500 -0.102 0.000 2.476 583 R HA 0.243 4.582 4.340 -0.000 0.000 0.276 583 R C 0.963 177.187 176.300 -0.127 0.000 0.941 583 R CA 0.514 56.550 56.100 -0.106 0.000 1.088 583 R CB 0.594 30.837 30.300 -0.095 0.000 1.216 583 R HN 0.620 nan 8.270 nan 0.000 0.533 584 G N 1.691 110.400 108.800 -0.151 0.000 2.155 584 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 584 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 584 G C 0.165 174.959 174.900 -0.175 0.000 0.983 584 G CA 0.706 45.696 45.100 -0.184 0.000 0.676 584 G HN 0.268 nan 8.290 nan 0.000 0.528 585 T N 3.593 118.051 114.554 -0.160 0.000 2.779 585 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 585 T C -1.634 172.951 174.700 -0.192 0.000 0.938 585 T CA -0.333 61.677 62.100 -0.150 0.000 1.119 585 T CB 1.966 70.758 68.868 -0.126 0.000 0.891 585 T HN 0.311 nan 8.240 nan 0.000 0.526 586 P HA 0.191 nan 4.420 nan 0.000 0.278 586 P C 0.845 178.048 177.300 -0.161 0.000 1.238 586 P CA -0.461 62.506 63.100 -0.223 0.000 0.794 586 P CB 0.911 32.510 31.700 -0.169 0.000 0.955 587 M N 1.418 120.911 119.600 -0.177 0.000 2.080 587 M HA -0.090 4.390 4.480 -0.000 0.000 0.260 587 M C 1.475 177.809 176.300 0.056 0.000 1.068 587 M CA 1.951 57.230 55.300 -0.035 0.000 1.109 587 M CB -0.203 32.441 32.600 0.073 0.000 1.342 587 M HN 0.401 nan 8.290 nan 0.000 0.405 588 M N 1.232 120.859 119.600 0.044 0.000 2.105 588 M HA 0.223 4.703 4.480 -0.000 0.000 0.350 588 M C -0.942 175.363 176.300 0.009 0.000 1.308 588 M CA 0.131 55.461 55.300 0.049 0.000 1.108 588 M CB 0.466 33.016 32.600 -0.084 0.000 1.622 588 M HN 0.031 nan 8.290 nan 0.000 0.468 589 R N 3.875 124.439 120.500 0.105 0.000 2.534 589 R HA 0.680 5.020 4.340 -0.000 0.000 0.301 589 R C -0.554 175.799 176.300 0.088 0.000 0.961 589 R CA -0.810 55.321 56.100 0.051 0.000 0.871 589 R CB 1.644 31.968 30.300 0.041 0.000 1.170 589 R HN 0.797 nan 8.270 nan 0.000 0.446 590 A N 3.474 126.296 122.820 0.004 0.000 2.483 590 A HA 0.086 4.406 4.320 -0.000 0.000 0.238 590 A C 1.303 178.914 177.584 0.045 0.000 1.070 590 A CA -0.263 51.780 52.037 0.011 0.000 0.770 590 A CB 0.215 19.162 19.000 -0.090 0.000 1.008 590 A HN 0.783 nan 8.150 nan 0.000 0.497 591 M N 1.823 121.478 119.600 0.092 0.000 2.108 591 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 591 M C 2.090 178.480 176.300 0.150 0.000 1.066 591 M CA 2.450 57.854 55.300 0.173 0.000 1.107 591 M CB -1.585 31.087 32.600 0.119 0.000 1.356 591 M HN 1.010 nan 8.290 nan 0.000 0.406 592 M N -0.457 119.143 119.600 0.000 0.000 2.144 592 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 592 M C 2.132 178.364 176.300 -0.113 0.000 1.067 592 M CA 1.929 57.178 55.300 -0.085 0.000 1.095 592 M CB -1.133 31.301 32.600 -0.276 0.000 1.365 592 M HN 0.283 nan 8.290 nan 0.000 0.406 593 M N -0.504 119.011 119.600 -0.143 0.000 2.229 593 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 593 M C 1.879 178.119 176.300 -0.102 0.000 1.063 593 M CA 2.029 57.243 55.300 -0.142 0.000 1.114 593 M CB -0.055 32.459 32.600 -0.143 0.000 1.387 593 M HN 0.483 nan 8.290 nan 0.000 0.420 594 E N 0.010 120.174 120.200 -0.060 0.000 2.140 594 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 594 E C -0.293 176.063 176.600 -0.406 0.000 0.973 594 E CA 0.943 57.215 56.400 -0.213 0.000 0.829 594 E CB 0.189 29.779 29.700 -0.183 0.000 0.781 594 E HN 0.513 nan 8.360 nan 0.000 0.466 595 F N 1.414 121.372 119.950 0.013 0.000 2.438 595 F HA 0.330 4.857 4.527 -0.000 0.000 0.315 595 F C -1.702 174.094 175.800 -0.007 0.000 1.258 595 F CA -2.120 55.898 58.000 0.029 0.000 1.180 595 F CB 1.385 40.431 39.000 0.077 0.000 1.412 595 F HN 0.023 nan 8.300 nan 0.000 0.544 596 P HA -0.186 nan 4.420 nan 0.000 0.218 596 P C 0.380 177.704 177.300 0.040 0.000 1.146 596 P CA 1.534 64.642 63.100 0.014 0.000 0.813 596 P CB 0.400 32.084 31.700 -0.027 0.000 0.778 597 D N -0.962 119.484 120.400 0.077 0.000 2.340 597 D HA 0.018 4.658 4.640 -0.000 0.000 0.217 597 D C 0.267 176.616 176.300 0.083 0.000 1.081 597 D CA 0.317 54.359 54.000 0.070 0.000 0.842 597 D CB -0.053 40.788 40.800 0.067 0.000 0.934 597 D HN 0.169 nan 8.370 nan 0.000 0.511 598 D N 1.781 122.246 120.400 0.108 0.000 2.396 598 D HA 0.076 4.716 4.640 -0.000 0.000 0.225 598 D C -1.294 175.006 176.300 0.001 0.000 1.121 598 D CA -2.016 52.029 54.000 0.074 0.000 0.853 598 D CB 2.098 42.964 40.800 0.110 0.000 1.043 598 D HN -0.073 nan 8.370 nan 0.000 0.500 599 P HA -0.151 nan 4.420 nan 0.000 0.218 599 P C 0.923 178.177 177.300 -0.078 0.000 1.146 599 P CA 0.638 63.722 63.100 -0.027 0.000 0.813 599 P CB 0.292 31.989 31.700 -0.005 0.000 0.778 600 A N -0.807 121.895 122.820 -0.197 0.000 2.168 600 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 600 A C 2.057 179.399 177.584 -0.404 0.000 1.152 600 A CA 0.892 52.686 52.037 -0.406 0.000 0.716 600 A CB -1.293 17.116 19.000 -0.985 0.000 0.794 600 A HN 0.289 nan 8.150 nan 0.000 0.465 601 C N -0.093 119.061 119.300 -0.243 0.000 2.791 601 C HA 0.116 4.576 4.460 -0.000 0.000 0.270 601 C C 1.618 176.582 174.990 -0.043 0.000 1.257 601 C CA -0.367 58.578 59.018 -0.123 0.000 1.699 601 C CB -0.974 26.750 27.740 -0.026 0.000 1.904 601 C HN 0.537 nan 8.230 nan 0.000 0.603 602 D N 1.093 121.459 120.400 -0.056 0.000 2.097 602 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 602 D C 1.031 177.236 176.300 -0.158 0.000 0.989 602 D CA 1.665 55.586 54.000 -0.133 0.000 0.827 602 D CB -0.129 40.477 40.800 -0.322 0.000 0.966 602 D HN 0.570 nan 8.370 nan 0.000 0.456 603 Y N 0.234 120.578 120.300 0.073 0.000 2.493 603 Y HA 0.268 4.818 4.550 -0.000 0.000 0.275 603 Y C 0.572 176.517 175.900 0.075 0.000 1.183 603 Y CA -0.313 57.827 58.100 0.066 0.000 1.258 603 Y CB 0.019 38.493 38.460 0.024 0.000 1.108 603 Y HN -0.211 nan 8.280 nan 0.000 0.521 604 L N 2.913 124.241 121.223 0.176 0.000 2.530 604 L HA 0.030 4.370 4.340 -0.000 0.000 0.273 604 L C 0.361 177.302 176.870 0.118 0.000 1.141 604 L CA 0.283 55.205 54.840 0.135 0.000 0.905 604 L CB 0.371 42.463 42.059 0.057 0.000 1.202 604 L HN 0.348 nan 8.230 nan 0.000 0.473 605 D N 1.601 122.069 120.400 0.114 0.000 2.520 605 D HA -0.010 4.630 4.640 -0.000 0.000 0.223 605 D C 1.210 177.551 176.300 0.068 0.000 1.186 605 D CA -0.141 53.907 54.000 0.080 0.000 0.821 605 D CB 0.305 41.138 40.800 0.055 0.000 1.072 605 D HN 0.363 nan 8.370 nan 0.000 0.518 606 R N 0.472 121.024 120.500 0.087 0.000 2.427 606 R HA 0.200 4.540 4.340 -0.000 0.000 0.262 606 R C 0.402 176.821 176.300 0.198 0.000 0.943 606 R CA 0.100 56.266 56.100 0.109 0.000 1.081 606 R CB 0.422 30.757 30.300 0.059 0.000 1.166 606 R HN 0.423 nan 8.270 nan 0.000 0.534 607 Q N -0.366 119.532 119.800 0.164 0.000 2.565 607 Q HA 0.426 4.766 4.340 -0.000 0.000 0.294 607 Q C -1.352 174.780 176.000 0.219 0.000 1.005 607 Q CA -1.160 54.705 55.803 0.104 0.000 0.771 607 Q CB 1.605 30.336 28.738 -0.012 0.000 1.486 607 Q HN 0.060 nan 8.270 nan 0.000 0.422 608 Y N -2.145 118.169 120.300 0.023 0.000 2.853 608 Y HA 0.724 5.274 4.550 -0.000 0.000 0.326 608 Y C -1.571 174.373 175.900 0.075 0.000 1.384 608 Y CA -1.561 56.571 58.100 0.053 0.000 1.077 608 Y CB 1.334 39.840 38.460 0.076 0.000 1.395 608 Y HN 0.520 nan 8.280 nan 0.000 0.451 609 M N 2.585 122.375 119.600 0.316 0.000 2.311 609 M HA 0.367 4.847 4.480 -0.000 0.000 0.325 609 M C -1.584 174.925 176.300 0.348 0.000 1.061 609 M CA -0.713 54.728 55.300 0.235 0.000 0.957 609 M CB 1.720 34.457 32.600 0.228 0.000 1.646 609 M HN 0.717 nan 8.290 nan 0.000 0.434 610 L N 3.786 125.188 121.223 0.298 0.000 2.272 610 L HA 0.668 5.008 4.340 -0.000 0.000 0.284 610 L C 0.504 177.545 176.870 0.285 0.000 1.045 610 L CA 0.743 55.792 54.840 0.349 0.000 0.842 610 L CB 0.027 42.306 42.059 0.368 0.000 1.224 610 L HN 0.952 nan 8.230 nan 0.000 0.430 611 G N 4.005 112.897 108.800 0.153 0.000 2.750 611 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.228 611 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.228 611 G C 0.401 175.378 174.900 0.129 0.000 1.367 611 G CA -0.031 45.089 45.100 0.034 0.000 0.871 611 G HN 0.540 nan 8.290 nan 0.000 0.560 612 D N 0.363 120.819 120.400 0.093 0.000 2.144 612 D HA -0.082 4.557 4.640 -0.000 0.000 0.199 612 D C 2.072 178.448 176.300 0.125 0.000 0.984 612 D CA 1.607 55.654 54.000 0.078 0.000 0.834 612 D CB -0.029 40.793 40.800 0.037 0.000 0.955 612 D HN 0.405 nan 8.370 nan 0.000 0.465 613 N N -0.019 118.820 118.700 0.232 0.000 2.254 613 N HA 0.012 4.752 4.740 -0.000 0.000 0.190 613 N C 0.289 175.835 175.510 0.060 0.000 1.107 613 N CA 0.043 53.138 53.050 0.075 0.000 0.869 613 N CB 2.018 40.473 38.487 -0.053 0.000 0.983 613 N HN 0.088 nan 8.380 nan 0.000 0.487 614 V N 0.972 120.973 119.914 0.144 0.000 2.540 614 V HA 0.505 4.625 4.120 -0.000 0.000 0.302 614 V C -0.615 175.549 176.094 0.117 0.000 1.035 614 V CA -0.811 61.545 62.300 0.094 0.000 0.873 614 V CB 2.265 34.049 31.823 -0.065 0.000 0.992 614 V HN -0.096 nan 8.190 nan 0.000 0.428 615 M N 7.387 127.035 119.600 0.080 0.000 2.157 615 M HA 0.566 5.046 4.480 -0.000 0.000 0.354 615 M C -1.255 174.866 176.300 -0.299 0.000 1.170 615 M CA -0.324 54.906 55.300 -0.118 0.000 1.060 615 M CB 1.072 33.506 32.600 -0.276 0.000 1.615 615 M HN 0.903 nan 8.290 nan 0.000 0.460 616 V N 5.557 125.179 119.914 -0.486 0.000 2.483 616 V HA 0.870 4.990 4.120 -0.000 0.000 0.297 616 V C -1.120 174.603 176.094 -0.619 0.000 1.027 616 V CA -0.375 61.584 62.300 -0.569 0.000 0.855 616 V CB 1.434 32.944 31.823 -0.522 0.000 0.995 616 V HN 0.976 nan 8.190 nan 0.000 0.424 617 A N 8.018 130.559 122.820 -0.465 0.000 2.316 617 A HA 0.861 5.181 4.320 -0.000 0.000 0.324 617 A C -2.720 174.690 177.584 -0.290 0.000 1.375 617 A CA -1.776 50.070 52.037 -0.317 0.000 0.882 617 A CB 0.647 19.459 19.000 -0.314 0.000 1.152 617 A HN 0.747 nan 8.150 nan 0.000 0.512 618 P HA 0.145 nan 4.420 nan 0.000 0.268 618 P C -0.288 176.701 177.300 -0.519 0.000 1.208 618 P CA 0.086 62.901 63.100 -0.476 0.000 0.777 618 P CB 0.762 31.953 31.700 -0.848 0.000 0.875 619 V N 3.853 123.496 119.914 -0.452 0.000 2.465 619 V HA 0.181 4.301 4.120 -0.000 0.000 0.279 619 V C 0.406 176.206 176.094 -0.491 0.000 1.045 619 V CA 0.334 62.455 62.300 -0.298 0.000 0.938 619 V CB 0.199 31.943 31.823 -0.131 0.000 0.986 619 V HN 0.457 nan 8.190 nan 0.000 0.467 620 F N 2.495 122.312 119.950 -0.222 0.000 2.772 620 F HA 0.284 4.811 4.527 -0.000 0.000 0.302 620 F C 0.962 176.206 175.800 -0.927 0.000 1.136 620 F CA -0.248 57.474 58.000 -0.463 0.000 1.322 620 F CB 0.649 39.524 39.000 -0.210 0.000 0.967 620 F HN 0.581 nan 8.300 nan 0.000 0.513 621 T N -4.708 109.496 114.554 -0.583 0.000 2.900 621 T HA 0.295 4.645 4.350 -0.000 0.000 0.303 621 T C 0.667 175.310 174.700 -0.094 0.000 1.142 621 T CA -0.671 61.200 62.100 -0.383 0.000 1.007 621 T CB 2.395 71.205 68.868 -0.096 0.000 1.156 621 T HN 0.142 nan 8.240 nan 0.000 0.490 622 E N 1.248 121.540 120.200 0.153 0.000 2.028 622 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 622 E C 2.303 178.952 176.600 0.082 0.000 0.988 622 E CA 1.229 57.781 56.400 0.253 0.000 0.799 622 E CB -0.428 29.279 29.700 0.011 0.000 0.755 622 E HN 0.839 nan 8.360 nan 0.000 0.447 623 A N -0.023 122.818 122.820 0.035 0.000 2.186 623 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 623 A C 1.861 179.426 177.584 -0.032 0.000 1.159 623 A CA 1.609 53.648 52.037 0.004 0.000 0.680 623 A CB -0.860 18.152 19.000 0.019 0.000 0.787 623 A HN 0.582 nan 8.150 nan 0.000 0.467 624 G N -1.161 107.615 108.800 -0.041 0.000 2.179 624 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 624 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 624 G C -0.177 174.751 174.900 0.048 0.000 0.977 624 G CA 0.224 45.304 45.100 -0.034 0.000 0.641 624 G HN 0.564 nan 8.290 nan 0.000 0.533 625 D N 0.130 120.557 120.400 0.046 0.000 2.424 625 D HA 0.446 5.086 4.640 -0.000 0.000 0.244 625 D C 0.099 176.467 176.300 0.114 0.000 1.134 625 D CA 0.863 54.915 54.000 0.086 0.000 0.881 625 D CB 2.270 43.107 40.800 0.062 0.000 1.191 625 D HN 0.473 nan 8.370 nan 0.000 0.445 626 V N 1.820 121.843 119.914 0.183 0.000 3.048 626 V HA 0.265 4.385 4.120 -0.000 0.000 0.303 626 V C -1.782 174.509 176.094 0.328 0.000 1.214 626 V CA -0.570 61.868 62.300 0.229 0.000 0.984 626 V CB 2.403 34.344 31.823 0.198 0.000 1.054 626 V HN 0.484 nan 8.190 nan 0.000 0.430 627 Q N 4.855 124.869 119.800 0.358 0.000 2.337 627 Q HA 0.726 5.066 4.340 -0.000 0.000 0.270 627 Q C -1.574 174.756 176.000 0.550 0.000 1.043 627 Q CA -0.451 55.595 55.803 0.405 0.000 0.794 627 Q CB 2.610 31.536 28.738 0.314 0.000 1.281 627 Q HN 0.742 nan 8.270 nan 0.000 0.446 628 F N -0.822 119.255 119.950 0.211 0.000 2.626 628 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 628 F C -1.657 173.814 175.800 -0.548 0.000 1.088 628 F CA -1.411 56.499 58.000 -0.149 0.000 0.949 628 F CB 1.091 39.995 39.000 -0.161 0.000 1.322 628 F HN 0.459 nan 8.300 nan 0.000 0.461 629 Y N 2.358 122.012 120.300 -1.077 0.000 2.360 629 Y HA 0.758 5.308 4.550 -0.000 0.000 0.337 629 Y C -1.844 173.598 175.900 -0.763 0.000 1.039 629 Y CA -1.355 55.945 58.100 -1.335 0.000 1.109 629 Y CB 1.636 39.091 38.460 -1.675 0.000 1.201 629 Y HN 0.778 nan 8.280 nan 0.000 0.458 630 L N 9.087 129.317 121.223 -1.655 0.000 2.356 630 L HA 0.624 4.964 4.340 -0.000 0.000 0.277 630 L C -2.400 173.546 176.870 -1.539 0.000 0.996 630 L CA -2.535 51.469 54.840 -1.393 0.000 0.822 630 L CB 1.803 43.260 42.059 -1.003 0.000 1.256 630 L HN 0.574 nan 8.230 nan 0.000 0.413 631 P HA 0.065 nan 4.420 nan 0.000 0.288 631 P C -0.898 176.361 177.300 -0.070 0.000 1.291 631 P CA -0.545 62.227 63.100 -0.547 0.000 0.766 631 P CB 0.369 31.418 31.700 -1.084 0.000 1.242 632 E N -0.020 120.210 120.200 0.049 0.000 2.529 632 E HA 0.289 4.639 4.350 -0.000 0.000 0.259 632 E C 0.191 176.889 176.600 0.163 0.000 0.966 632 E CA 0.600 57.072 56.400 0.119 0.000 0.937 632 E CB -0.569 29.210 29.700 0.131 0.000 0.923 632 E HN 0.613 nan 8.360 nan 0.000 0.468 633 G N 3.296 112.157 108.800 0.100 0.000 2.371 633 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.663 633 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.663 633 G C -1.179 173.751 174.900 0.051 0.000 1.311 633 G CA -0.472 44.621 45.100 -0.011 0.000 0.985 633 G HN 0.630 nan 8.290 nan 0.000 0.566 634 R N -0.177 120.289 120.500 -0.058 0.000 2.275 634 R HA 0.555 4.895 4.340 -0.000 0.000 0.326 634 R C -0.875 175.435 176.300 0.018 0.000 0.973 634 R CA -0.762 55.370 56.100 0.054 0.000 0.854 634 R CB 0.442 30.763 30.300 0.034 0.000 1.156 634 R HN 0.473 nan 8.270 nan 0.000 0.487 635 W N 2.349 123.635 121.300 -0.024 0.000 2.381 635 W HA 0.350 5.010 4.660 -0.000 0.000 0.329 635 W C -0.067 176.547 176.519 0.159 0.000 1.157 635 W CA -0.301 57.057 57.345 0.021 0.000 1.240 635 W CB 1.731 31.153 29.460 -0.062 0.000 1.199 635 W HN 0.318 nan 8.180 nan 0.000 0.579 636 T N 2.241 117.062 114.554 0.446 0.000 2.809 636 T HA 0.061 4.411 4.350 -0.000 0.000 0.284 636 T C -0.512 174.374 174.700 0.310 0.000 0.992 636 T CA -0.598 61.764 62.100 0.436 0.000 0.957 636 T CB 0.494 69.657 68.868 0.492 0.000 0.942 636 T HN 0.266 nan 8.240 nan 0.000 0.439 637 H N 3.285 122.390 119.070 0.058 0.000 3.125 637 H HA 0.001 4.557 4.556 -0.000 0.000 0.310 637 H C 1.052 176.200 175.328 -0.301 0.000 0.980 637 H CA -0.476 55.214 56.048 -0.596 0.000 1.422 637 H CB 0.638 29.976 29.762 -0.706 0.000 1.432 637 H HN 0.537 nan 8.280 nan 0.000 0.577 638 L N 6.083 127.129 121.223 -0.296 0.000 2.197 638 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 638 L C 1.510 178.545 176.870 0.276 0.000 1.095 638 L CA 2.347 57.191 54.840 0.007 0.000 0.764 638 L CB -0.400 41.632 42.059 -0.045 0.000 0.897 638 L HN 0.841 nan 8.230 nan 0.000 0.436 639 W N -5.439 116.022 121.300 0.269 0.000 2.576 639 W HA 0.282 4.942 4.660 -0.000 0.000 0.236 639 W C 1.719 178.276 176.519 0.064 0.000 0.989 639 W CA -0.035 57.369 57.345 0.099 0.000 1.254 639 W CB -0.685 28.816 29.460 0.068 0.000 0.857 639 W HN -0.099 nan 8.180 nan 0.000 0.662 640 H N 1.292 120.110 119.070 -0.420 0.000 2.529 640 H HA 0.057 4.613 4.556 -0.000 0.000 0.277 640 H C 0.841 176.124 175.328 -0.075 0.000 0.999 640 H CA 0.982 56.841 56.048 -0.316 0.000 1.256 640 H CB -0.372 28.973 29.762 -0.695 0.000 1.402 640 H HN 0.246 nan 8.280 nan 0.000 0.566 641 N N 1.082 119.861 118.700 0.132 0.000 2.778 641 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 641 N C -0.711 174.907 175.510 0.179 0.000 1.069 641 N CA 0.974 54.131 53.050 0.178 0.000 0.831 641 N CB -0.810 37.768 38.487 0.151 0.000 1.142 641 N HN 0.647 nan 8.380 nan 0.000 0.573 642 D N -0.223 120.288 120.400 0.184 0.000 2.358 642 D HA 0.177 4.817 4.640 -0.000 0.000 0.244 642 D C -0.047 176.423 176.300 0.283 0.000 1.163 642 D CA 0.216 54.329 54.000 0.189 0.000 0.945 642 D CB 0.874 41.771 40.800 0.161 0.000 1.152 642 D HN 0.343 nan 8.370 nan 0.000 0.451 643 E N -0.361 119.964 120.200 0.208 0.000 2.277 643 E HA 0.660 5.010 4.350 -0.000 0.000 0.266 643 E C -0.719 175.935 176.600 0.090 0.000 0.901 643 E CA -0.933 55.586 56.400 0.199 0.000 0.782 643 E CB 2.378 32.168 29.700 0.150 0.000 1.228 643 E HN 0.345 nan 8.360 nan 0.000 0.424 644 L N 1.210 122.455 121.223 0.036 0.000 2.445 644 L HA 0.371 4.711 4.340 -0.000 0.000 0.262 644 L C -1.031 175.870 176.870 0.051 0.000 0.974 644 L CA -1.091 53.691 54.840 -0.096 0.000 0.822 644 L CB 2.210 43.976 42.059 -0.487 0.000 1.339 644 L HN 0.389 nan 8.230 nan 0.000 0.409 645 D N 1.799 122.252 120.400 0.088 0.000 2.312 645 D HA 0.293 4.933 4.640 -0.000 0.000 0.252 645 D C 0.336 176.699 176.300 0.104 0.000 1.150 645 D CA 0.175 54.239 54.000 0.106 0.000 0.870 645 D CB 2.127 42.968 40.800 0.070 0.000 1.153 645 D HN 0.677 nan 8.370 nan 0.000 0.457 646 G N 0.176 109.041 108.800 0.110 0.000 2.516 646 G HA2 0.232 4.192 3.960 -0.000 0.000 0.276 646 G HA3 0.232 4.192 3.960 -0.000 0.000 0.276 646 G C 0.484 175.290 174.900 -0.157 0.000 1.390 646 G CA 0.198 45.280 45.100 -0.030 0.000 1.050 646 G HN 0.575 nan 8.290 nan 0.000 0.519 647 S N -2.069 113.462 115.700 -0.281 0.000 3.561 647 S HA -0.190 4.280 4.470 -0.000 0.000 0.318 647 S C 0.383 174.920 174.600 -0.106 0.000 1.181 647 S CA 1.947 60.068 58.200 -0.131 0.000 0.916 647 S CB -1.349 61.852 63.200 0.000 0.000 0.966 647 S HN 1.483 nan 8.310 nan 0.000 0.550 648 R N -1.766 118.480 120.500 -0.424 0.000 2.728 648 R HA 0.551 4.891 4.340 -0.000 0.000 0.274 648 R C -1.255 174.703 176.300 -0.570 0.000 1.030 648 R CA -1.159 54.785 56.100 -0.260 0.000 0.876 648 R CB -0.118 30.030 30.300 -0.254 0.000 1.259 648 R HN 0.179 nan 8.270 nan 0.000 0.468 649 W N 0.805 121.873 121.300 -0.386 0.000 2.303 649 W HA 0.440 5.100 4.660 -0.000 0.000 0.334 649 W C 0.254 176.309 176.519 -0.774 0.000 1.197 649 W CA 0.535 57.609 57.345 -0.453 0.000 1.262 649 W CB 0.833 30.174 29.460 -0.198 0.000 1.153 649 W HN 0.324 nan 8.180 nan 0.000 0.596 650 H N 1.306 120.147 119.070 -0.383 0.000 2.851 650 H HA 0.321 4.877 4.556 -0.000 0.000 0.372 650 H C -1.155 173.974 175.328 -0.331 0.000 1.158 650 H CA -1.188 54.552 56.048 -0.514 0.000 1.159 650 H CB 2.354 31.511 29.762 -1.008 0.000 1.757 650 H HN 0.259 nan 8.280 nan 0.000 0.546 651 K N 2.476 122.900 120.400 0.040 0.000 2.450 651 K HA 0.363 4.682 4.320 -0.000 0.000 0.257 651 K C -0.943 175.757 176.600 0.167 0.000 0.953 651 K CA -0.378 55.978 56.287 0.116 0.000 0.844 651 K CB 1.322 33.870 32.500 0.079 0.000 1.103 651 K HN 0.592 nan 8.250 nan 0.000 0.429 652 Q N 1.872 121.838 119.800 0.276 0.000 2.528 652 Q HA 0.301 4.641 4.340 -0.000 0.000 0.289 652 Q C -1.490 174.648 176.000 0.230 0.000 1.091 652 Q CA -1.050 54.910 55.803 0.262 0.000 0.797 652 Q CB 2.886 31.887 28.738 0.437 0.000 1.466 652 Q HN 0.495 nan 8.270 nan 0.000 0.436 653 Q N 0.935 120.799 119.800 0.107 0.000 2.292 653 Q HA 0.325 4.665 4.340 -0.000 0.000 0.270 653 Q C -1.610 174.370 176.000 -0.034 0.000 1.024 653 Q CA -0.283 55.567 55.803 0.079 0.000 0.768 653 Q CB 1.281 30.032 28.738 0.021 0.000 1.250 653 Q HN 0.620 nan 8.270 nan 0.000 0.447 654 H N 1.397 120.479 119.070 0.021 0.000 2.621 654 H HA 0.500 5.056 4.556 -0.000 0.000 0.360 654 H C -0.138 175.152 175.328 -0.064 0.000 1.163 654 H CA -0.642 55.421 56.048 0.026 0.000 1.194 654 H CB 2.134 31.945 29.762 0.080 0.000 1.649 654 H HN 0.813 nan 8.280 nan 0.000 0.532 655 G N 0.082 108.925 108.800 0.071 0.000 2.502 655 G HA2 0.211 4.171 3.960 -0.000 0.000 0.305 655 G HA3 0.211 4.171 3.960 -0.000 0.000 0.305 655 G C 0.102 175.002 174.900 0.001 0.000 1.190 655 G CA -0.530 44.531 45.100 -0.064 0.000 0.933 655 G HN 0.480 nan 8.290 nan 0.000 0.503 656 F N -0.724 119.349 119.950 0.205 0.000 2.529 656 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 656 F C 2.043 178.010 175.800 0.279 0.000 1.114 656 F CA 0.429 58.575 58.000 0.243 0.000 1.467 656 F CB -0.023 39.108 39.000 0.220 0.000 1.096 656 F HN 0.120 nan 8.300 nan 0.000 0.586 657 L N -1.850 119.550 121.223 0.294 0.000 2.693 657 L HA 0.244 4.584 4.340 -0.000 0.000 0.235 657 L C 0.619 177.627 176.870 0.229 0.000 1.127 657 L CA 0.203 55.064 54.840 0.034 0.000 0.914 657 L CB 0.027 41.890 42.059 -0.326 0.000 1.193 657 L HN -0.040 nan 8.230 nan 0.000 0.502 658 S N -0.132 115.870 115.700 0.504 0.000 2.595 658 S HA 0.895 5.365 4.470 -0.000 0.000 0.281 658 S C -1.210 173.682 174.600 0.486 0.000 1.117 658 S CA -0.582 58.050 58.200 0.720 0.000 0.873 658 S CB 1.278 64.955 63.200 0.796 0.000 1.108 658 S HN 0.122 nan 8.310 nan 0.000 0.477 659 L N -0.434 120.906 121.223 0.195 0.000 2.794 659 L HA 0.686 5.026 4.340 -0.000 0.000 0.261 659 L C -3.210 173.297 176.870 -0.605 0.000 0.989 659 L CA -2.219 52.321 54.840 -0.499 0.000 0.900 659 L CB 1.551 43.504 42.059 -0.177 0.000 1.473 659 L HN 0.340 nan 8.230 nan 0.000 0.414 660 P HA 0.199 nan 4.420 nan 0.000 0.265 660 P C -0.903 175.966 177.300 -0.717 0.000 1.222 660 P CA 0.124 62.807 63.100 -0.694 0.000 0.767 660 P CB 0.822 31.910 31.700 -1.020 0.000 0.801 661 V N 5.796 125.041 119.914 -1.115 0.000 2.454 661 V HA 0.255 4.375 4.120 -0.000 0.000 0.267 661 V C -0.878 174.557 176.094 -1.098 0.000 0.993 661 V CA -0.528 61.243 62.300 -0.882 0.000 0.836 661 V CB -0.009 31.393 31.823 -0.703 0.000 1.055 661 V HN 0.379 nan 8.190 nan 0.000 0.452 662 Y N 2.081 122.082 120.300 -0.498 0.000 2.341 662 Y HA 0.638 5.188 4.550 -0.000 0.000 0.337 662 Y C 0.279 176.211 175.900 0.052 0.000 1.014 662 Y CA -0.843 57.120 58.100 -0.229 0.000 1.111 662 Y CB 2.095 40.468 38.460 -0.145 0.000 1.194 662 Y HN 0.366 nan 8.280 nan 0.000 0.462 663 V N 4.673 124.621 119.914 0.058 0.000 2.439 663 V HA 0.428 4.548 4.120 -0.000 0.000 0.282 663 V C 0.101 176.063 176.094 -0.221 0.000 1.039 663 V CA -1.232 60.929 62.300 -0.232 0.000 0.913 663 V CB 0.939 32.172 31.823 -0.983 0.000 0.983 663 V HN 0.765 nan 8.190 nan 0.000 0.460 664 R N 2.002 122.149 120.500 -0.588 0.000 2.615 664 R HA 0.323 4.663 4.340 -0.000 0.000 0.270 664 R C -0.331 175.568 176.300 -0.668 0.000 1.081 664 R CA -0.677 54.633 56.100 -1.315 0.000 1.154 664 R CB 0.348 29.813 30.300 -1.392 0.000 1.063 664 R HN 0.799 nan 8.270 nan 0.000 0.519 665 D N 0.548 120.575 120.400 -0.621 0.000 2.352 665 D HA -0.093 4.547 4.640 -0.000 0.000 0.238 665 D C -0.175 175.986 176.300 -0.230 0.000 1.286 665 D CA -0.320 53.503 54.000 -0.294 0.000 0.923 665 D CB 0.067 40.712 40.800 -0.258 0.000 1.146 665 D HN 0.708 nan 8.370 nan 0.000 0.471 666 N N -1.240 117.377 118.700 -0.139 0.000 2.727 666 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 666 N C -0.916 174.567 175.510 -0.044 0.000 1.048 666 N CA 1.041 54.025 53.050 -0.109 0.000 0.714 666 N CB -1.436 36.921 38.487 -0.217 0.000 0.959 666 N HN 0.550 nan 8.380 nan 0.000 0.544 667 T N 0.874 115.441 114.554 0.022 0.000 2.863 667 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 667 T C -0.171 174.654 174.700 0.209 0.000 1.009 667 T CA -0.554 61.583 62.100 0.060 0.000 0.989 667 T CB 2.430 71.264 68.868 -0.057 0.000 1.004 667 T HN 0.152 nan 8.240 nan 0.000 0.455 668 L N 4.097 125.424 121.223 0.174 0.000 2.345 668 L HA 0.663 5.003 4.340 -0.000 0.000 0.274 668 L C -1.492 175.536 176.870 0.263 0.000 0.999 668 L CA -0.780 54.196 54.840 0.226 0.000 0.849 668 L CB 0.923 43.056 42.059 0.124 0.000 1.220 668 L HN 0.506 nan 8.230 nan 0.000 0.422 669 L N 4.612 126.050 121.223 0.358 0.000 2.309 669 L HA 0.875 5.215 4.340 -0.000 0.000 0.282 669 L C -0.169 176.896 176.870 0.325 0.000 1.036 669 L CA -0.143 54.859 54.840 0.270 0.000 0.806 669 L CB 1.685 43.859 42.059 0.192 0.000 1.220 669 L HN 0.732 nan 8.230 nan 0.000 0.429 670 A N 5.368 128.326 122.820 0.231 0.000 2.276 670 A HA 0.737 5.057 4.320 -0.000 0.000 0.316 670 A C -1.290 176.329 177.584 0.057 0.000 1.229 670 A CA -0.420 51.658 52.037 0.068 0.000 0.851 670 A CB 0.364 19.388 19.000 0.040 0.000 1.165 670 A HN 0.541 nan 8.150 nan 0.000 0.513 671 L N 2.182 123.431 121.223 0.043 0.000 2.346 671 L HA 0.663 5.003 4.340 -0.000 0.000 0.276 671 L C 0.969 177.895 176.870 0.094 0.000 1.006 671 L CA 0.089 54.987 54.840 0.097 0.000 0.817 671 L CB 1.832 43.983 42.059 0.153 0.000 1.272 671 L HN 0.809 nan 8.230 nan 0.000 0.421 672 G N 0.551 109.468 108.800 0.194 0.000 2.580 672 G HA2 0.281 4.241 3.960 -0.000 0.000 0.278 672 G HA3 0.281 4.241 3.960 -0.000 0.000 0.278 672 G C 0.366 175.397 174.900 0.219 0.000 1.212 672 G CA -0.354 44.952 45.100 0.344 0.000 0.939 672 G HN 0.757 nan 8.290 nan 0.000 0.513 673 N N -0.610 118.195 118.700 0.175 0.000 2.238 673 N HA 0.021 4.761 4.740 -0.000 0.000 0.222 673 N C -0.269 175.135 175.510 -0.177 0.000 1.133 673 N CA -0.444 52.609 53.050 0.006 0.000 0.854 673 N CB 0.373 38.870 38.487 0.017 0.000 1.041 673 N HN 0.319 nan 8.380 nan 0.000 0.510 674 N N 1.194 119.643 118.700 -0.417 0.000 2.448 674 N HA 0.086 4.826 4.740 -0.000 0.000 0.279 674 N C -1.096 174.221 175.510 -0.322 0.000 1.025 674 N CA -0.293 52.405 53.050 -0.586 0.000 0.898 674 N CB 1.577 39.300 38.487 -1.274 0.000 1.303 674 N HN 0.162 nan 8.380 nan 0.000 0.495 675 D N 1.978 122.286 120.400 -0.153 0.000 2.463 675 D HA 0.089 4.729 4.640 -0.000 0.000 0.224 675 D C 0.221 176.519 176.300 -0.005 0.000 1.174 675 D CA 0.252 54.221 54.000 -0.052 0.000 0.829 675 D CB 0.519 41.288 40.800 -0.052 0.000 0.993 675 D HN 0.340 nan 8.370 nan 0.000 0.497 676 Q N 0.285 120.077 119.800 -0.013 0.000 2.353 676 Q HA 0.192 4.532 4.340 -0.000 0.000 0.240 676 Q C 0.495 176.626 176.000 0.218 0.000 0.868 676 Q CA 0.417 56.262 55.803 0.070 0.000 0.944 676 Q CB 1.488 30.233 28.738 0.012 0.000 1.104 676 Q HN 0.526 nan 8.270 nan 0.000 0.531 677 R N -0.674 119.908 120.500 0.136 0.000 2.739 677 R HA 0.408 4.748 4.340 -0.000 0.000 0.271 677 R C -2.562 173.846 176.300 0.180 0.000 1.010 677 R CA -1.346 54.836 56.100 0.137 0.000 0.897 677 R CB 1.228 31.626 30.300 0.164 0.000 1.236 677 R HN -0.310 nan 8.270 nan 0.000 0.466 678 P HA -0.048 nan 4.420 nan 0.000 0.222 678 P C -0.666 176.820 177.300 0.310 0.000 1.157 678 P CA 0.888 64.128 63.100 0.233 0.000 0.816 678 P CB 0.088 31.854 31.700 0.111 0.000 0.813 679 D N 0.998 121.509 120.400 0.184 0.000 2.428 679 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 679 D C -0.274 175.975 176.300 -0.085 0.000 1.123 679 D CA -0.708 53.262 54.000 -0.049 0.000 0.869 679 D CB -0.106 40.701 40.800 0.012 0.000 1.032 679 D HN 0.274 nan 8.370 nan 0.000 0.506 680 Y N -1.530 118.438 120.300 -0.554 0.000 2.689 680 Y HA 0.416 4.966 4.550 -0.000 0.000 0.333 680 Y C -0.418 175.030 175.900 -0.753 0.000 1.208 680 Y CA -1.808 56.008 58.100 -0.473 0.000 1.055 680 Y CB 0.656 38.978 38.460 -0.231 0.000 1.304 680 Y HN 0.050 nan 8.280 nan 0.000 0.455 681 V N -0.201 119.540 119.914 -0.288 0.000 2.382 681 V HA -0.032 4.088 4.120 -0.000 0.000 0.250 681 V C 0.332 176.316 176.094 -0.184 0.000 1.069 681 V CA -0.544 61.568 62.300 -0.313 0.000 1.130 681 V CB -0.827 30.844 31.823 -0.254 0.000 1.165 681 V HN 0.895 nan 8.190 nan 0.000 0.483 682 W N 3.618 124.843 121.300 -0.126 0.000 2.392 682 W HA -0.100 4.560 4.660 -0.000 0.000 0.279 682 W C 2.191 178.727 176.519 0.027 0.000 1.225 682 W CA 1.734 59.004 57.345 -0.124 0.000 1.233 682 W CB -0.794 28.556 29.460 -0.184 0.000 1.122 682 W HN 0.972 nan 8.180 nan 0.000 0.561 683 H N -0.717 118.459 119.070 0.177 0.000 2.566 683 H HA 0.306 4.862 4.556 -0.000 0.000 0.280 683 H C -0.670 174.692 175.328 0.058 0.000 1.042 683 H CA 0.428 56.534 56.048 0.096 0.000 1.168 683 H CB -0.586 29.225 29.762 0.081 0.000 1.340 683 H HN 0.125 nan 8.280 nan 0.000 0.597 684 E N 0.065 120.194 120.200 -0.118 0.000 2.216 684 E HA 0.404 4.754 4.350 -0.000 0.000 0.260 684 E C 0.007 176.624 176.600 0.028 0.000 0.880 684 E CA -0.361 55.994 56.400 -0.074 0.000 0.765 684 E CB 1.765 31.358 29.700 -0.179 0.000 1.174 684 E HN 0.468 nan 8.360 nan 0.000 0.417 685 G N 2.848 111.691 108.800 0.071 0.000 2.157 685 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 685 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 685 G C 0.427 175.377 174.900 0.082 0.000 0.979 685 G CA 0.139 45.282 45.100 0.072 0.000 0.650 685 G HN 0.500 nan 8.290 nan 0.000 0.529 686 T N 0.998 115.594 114.554 0.071 0.000 2.933 686 T HA 0.432 4.782 4.350 -0.000 0.000 0.306 686 T C 0.661 175.280 174.700 -0.134 0.000 1.045 686 T CA 0.943 62.979 62.100 -0.106 0.000 1.143 686 T CB 1.474 70.128 68.868 -0.356 0.000 1.003 686 T HN 1.529 nan 8.240 nan 0.000 0.540 687 A N 3.947 126.664 122.820 -0.171 0.000 2.508 687 A HA 0.607 4.927 4.320 -0.000 0.000 0.336 687 A C -0.211 177.301 177.584 -0.119 0.000 1.360 687 A CA -0.777 51.223 52.037 -0.062 0.000 0.841 687 A CB -0.229 18.815 19.000 0.073 0.000 1.136 687 A HN 0.679 nan 8.150 nan 0.000 0.489 688 F N 1.828 121.833 119.950 0.091 0.000 2.518 688 F HA 0.260 4.787 4.527 -0.000 0.000 0.359 688 F C 1.105 176.820 175.800 -0.140 0.000 1.118 688 F CA 0.906 58.949 58.000 0.072 0.000 1.287 688 F CB 0.618 39.668 39.000 0.085 0.000 1.132 688 F HN 0.464 nan 8.300 nan 0.000 0.587 689 H N 3.515 122.743 119.070 0.263 0.000 2.823 689 H HA 0.293 4.849 4.556 -0.000 0.000 0.332 689 H C -1.209 174.122 175.328 0.005 0.000 0.980 689 H CA -0.888 55.187 56.048 0.045 0.000 1.286 689 H CB 2.118 31.878 29.762 -0.003 0.000 1.541 689 H HN 0.404 nan 8.280 nan 0.000 0.521 690 L N 4.057 125.260 121.223 -0.034 0.000 2.292 690 L HA 0.372 4.712 4.340 -0.000 0.000 0.284 690 L C -1.314 175.466 176.870 -0.150 0.000 1.065 690 L CA -0.096 54.753 54.840 0.014 0.000 0.806 690 L CB 0.070 42.139 42.059 0.017 0.000 1.175 690 L HN 0.332 nan 8.230 nan 0.000 0.431 691 F N 4.125 124.102 119.950 0.045 0.000 2.427 691 F HA 0.398 4.925 4.527 -0.000 0.000 0.348 691 F C 0.802 176.586 175.800 -0.026 0.000 1.125 691 F CA -0.764 57.246 58.000 0.017 0.000 0.989 691 F CB 0.789 39.784 39.000 -0.008 0.000 1.165 691 F HN 0.615 nan 8.300 nan 0.000 0.442 692 N N 3.257 122.031 118.700 0.125 0.000 2.691 692 N HA -0.244 4.496 4.740 -0.000 0.000 0.277 692 N C -0.744 174.767 175.510 0.002 0.000 1.029 692 N CA -0.124 52.955 53.050 0.048 0.000 0.798 692 N CB -0.335 38.170 38.487 0.030 0.000 0.922 692 N HN 0.516 nan 8.380 nan 0.000 0.562 693 L N 1.673 122.905 121.223 0.014 0.000 2.369 693 L HA 0.066 4.406 4.340 -0.000 0.000 0.279 693 L C 0.777 177.647 176.870 0.000 0.000 1.108 693 L CA 0.072 54.914 54.840 0.003 0.000 0.852 693 L CB 0.455 42.532 42.059 0.030 0.000 1.169 693 L HN 0.326 nan 8.230 nan 0.000 0.452 694 Q N 2.513 122.286 119.800 -0.046 0.000 2.368 694 Q HA 0.058 4.398 4.340 -0.000 0.000 0.237 694 Q C -0.504 175.595 176.000 0.165 0.000 0.987 694 Q CA -0.545 55.270 55.803 0.021 0.000 0.896 694 Q CB 1.133 29.812 28.738 -0.098 0.000 1.241 694 Q HN 0.522 nan 8.270 nan 0.000 0.485 695 D N -0.072 120.409 120.400 0.135 0.000 2.472 695 D HA 0.134 4.774 4.640 -0.000 0.000 0.248 695 D C 0.569 176.943 176.300 0.124 0.000 1.174 695 D CA 1.600 55.663 54.000 0.105 0.000 0.883 695 D CB 0.002 40.842 40.800 0.066 0.000 1.149 695 D HN 0.694 nan 8.370 nan 0.000 0.488 696 G N 2.986 111.820 108.800 0.057 0.000 2.132 696 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.228 696 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.228 696 G C 0.037 174.829 174.900 -0.180 0.000 1.000 696 G CA 0.028 45.097 45.100 -0.052 0.000 0.693 696 G HN 0.713 nan 8.290 nan 0.000 0.515 697 H N -0.488 118.577 119.070 -0.008 0.000 2.855 697 H HA 0.665 5.221 4.556 -0.000 0.000 0.363 697 H C -0.770 174.550 175.328 -0.014 0.000 1.185 697 H CA -0.565 55.476 56.048 -0.012 0.000 1.174 697 H CB 2.254 32.009 29.762 -0.012 0.000 1.857 697 H HN 0.278 nan 8.280 nan 0.000 0.565 698 E N 0.825 121.097 120.200 0.120 0.000 2.260 698 E HA 0.502 4.852 4.350 -0.000 0.000 0.266 698 E C -1.567 175.058 176.600 0.043 0.000 0.887 698 E CA -0.830 55.600 56.400 0.050 0.000 0.777 698 E CB 1.743 31.448 29.700 0.009 0.000 1.205 698 E HN 0.694 nan 8.360 nan 0.000 0.414 699 A N 3.625 126.462 122.820 0.028 0.000 2.290 699 A HA 0.602 4.922 4.320 -0.000 0.000 0.310 699 A C -0.636 176.946 177.584 -0.004 0.000 1.202 699 A CA -0.484 51.565 52.037 0.020 0.000 0.837 699 A CB 1.004 20.026 19.000 0.037 0.000 1.139 699 A HN 0.347 nan 8.150 nan 0.000 0.509 700 V N 1.016 120.926 119.914 -0.005 0.000 2.715 700 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 700 V C -0.321 175.773 176.094 -0.000 0.000 1.054 700 V CA -0.608 61.673 62.300 -0.031 0.000 0.928 700 V CB 1.599 33.397 31.823 -0.042 0.000 1.007 700 V HN 1.113 nan 8.190 nan 0.000 0.437 701 C N 3.567 122.854 119.300 -0.021 0.000 2.551 701 C HA 0.627 5.087 4.460 -0.000 0.000 0.332 701 C C -0.760 174.246 174.990 0.027 0.000 1.139 701 C CA -0.310 58.743 59.018 0.058 0.000 1.328 701 C CB 0.712 28.548 27.740 0.160 0.000 1.903 701 C HN 1.026 nan 8.230 nan 0.000 0.459 702 E N 4.044 124.277 120.200 0.055 0.000 2.165 702 E HA 0.495 4.845 4.350 -0.000 0.000 0.266 702 E C -0.985 175.674 176.600 0.099 0.000 0.889 702 E CA -0.527 55.895 56.400 0.036 0.000 0.756 702 E CB 2.145 31.839 29.700 -0.011 0.000 1.131 702 E HN 0.555 nan 8.360 nan 0.000 0.411 703 V N 5.530 125.549 119.914 0.174 0.000 2.407 703 V HA 0.293 4.413 4.120 -0.000 0.000 0.278 703 V C -1.871 174.322 176.094 0.164 0.000 1.037 703 V CA -1.629 60.792 62.300 0.202 0.000 0.900 703 V CB 0.960 32.990 31.823 0.346 0.000 0.983 703 V HN 0.587 nan 8.190 nan 0.000 0.459 704 P HA 0.489 nan 4.420 nan 0.000 0.281 704 P C -0.659 176.864 177.300 0.371 0.000 1.264 704 P CA -0.363 62.849 63.100 0.186 0.000 0.824 704 P CB 1.865 33.637 31.700 0.119 0.000 1.092 705 A N 1.032 124.032 122.820 0.299 0.000 2.247 705 A HA 0.592 4.912 4.320 -0.000 0.000 0.313 705 A C 1.656 179.486 177.584 0.411 0.000 1.109 705 A CA 0.083 52.274 52.037 0.257 0.000 0.890 705 A CB -0.304 18.758 19.000 0.104 0.000 1.239 705 A HN 0.484 nan 8.150 nan 0.000 0.506 706 A N -0.103 122.831 122.820 0.190 0.000 1.940 706 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 706 A C 1.344 179.130 177.584 0.336 0.000 1.176 706 A CA 2.297 54.426 52.037 0.153 0.000 0.631 706 A CB -0.839 18.143 19.000 -0.029 0.000 0.814 706 A HN 0.892 nan 8.150 nan 0.000 0.446 707 D N -2.456 118.087 120.400 0.238 0.000 2.349 707 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 707 D C 1.179 177.593 176.300 0.190 0.000 1.029 707 D CA 1.104 55.227 54.000 0.204 0.000 0.879 707 D CB -0.406 40.464 40.800 0.116 0.000 0.906 707 D HN 0.777 nan 8.370 nan 0.000 0.528 708 G N 0.057 109.009 108.800 0.253 0.000 2.284 708 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.230 708 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.230 708 G C 0.533 175.458 174.900 0.041 0.000 1.021 708 G CA 0.304 45.445 45.100 0.070 0.000 0.619 708 G HN 0.865 nan 8.290 nan 0.000 0.510 709 S N 0.049 115.786 115.700 0.062 0.000 2.576 709 S HA 0.535 5.005 4.470 -0.000 0.000 0.272 709 S C 0.515 175.140 174.600 0.043 0.000 1.352 709 S CA 0.005 58.226 58.200 0.034 0.000 1.021 709 S CB 1.941 65.161 63.200 0.033 0.000 0.887 709 S HN 1.133 nan 8.310 nan 0.000 0.542 710 V N 2.849 122.775 119.914 0.019 0.000 2.508 710 V HA 0.182 4.302 4.120 -0.000 0.000 0.281 710 V C 1.070 177.183 176.094 0.031 0.000 1.041 710 V CA -0.022 62.292 62.300 0.024 0.000 1.016 710 V CB 0.607 32.427 31.823 -0.006 0.000 0.984 710 V HN 0.975 nan 8.190 nan 0.000 0.478 711 I N 4.283 124.884 120.570 0.053 0.000 3.708 711 I HA 0.348 4.518 4.170 -0.000 0.000 0.302 711 I C -0.074 176.124 176.117 0.134 0.000 1.255 711 I CA 0.427 61.741 61.300 0.024 0.000 1.362 711 I CB 0.534 38.461 38.000 -0.123 0.000 1.100 711 I HN 0.556 nan 8.210 nan 0.000 0.434 712 F N -0.012 119.922 119.950 -0.027 0.000 2.628 712 F HA 0.459 4.986 4.527 -0.000 0.000 0.309 712 F C -1.204 174.578 175.800 -0.030 0.000 1.108 712 F CA -0.391 57.598 58.000 -0.019 0.000 0.971 712 F CB 1.746 40.758 39.000 0.019 0.000 1.279 712 F HN -0.372 nan 8.300 nan 0.000 0.441 713 T N 6.393 120.439 114.554 -0.848 0.000 2.893 713 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 713 T C -1.984 172.115 174.700 -1.000 0.000 1.027 713 T CA -0.629 61.084 62.100 -0.646 0.000 0.988 713 T CB 1.769 70.416 68.868 -0.368 0.000 1.043 713 T HN 0.557 nan 8.240 nan 0.000 0.461 714 L N 2.948 123.775 121.223 -0.659 0.000 2.436 714 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 714 L C -1.288 175.368 176.870 -0.357 0.000 0.974 714 L CA -0.640 53.818 54.840 -0.636 0.000 0.826 714 L CB 1.776 43.290 42.059 -0.909 0.000 1.291 714 L HN 0.695 nan 8.230 nan 0.000 0.406 715 K N 3.666 123.910 120.400 -0.259 0.000 2.378 715 K HA 0.797 5.117 4.320 -0.000 0.000 0.252 715 K C -0.914 175.629 176.600 -0.096 0.000 0.931 715 K CA -0.700 55.499 56.287 -0.148 0.000 0.794 715 K CB 2.557 34.987 32.500 -0.117 0.000 1.181 715 K HN 0.649 nan 8.250 nan 0.000 0.425 716 A N 1.779 124.567 122.820 -0.054 0.000 2.431 716 A HA 0.639 4.959 4.320 -0.000 0.000 0.318 716 A C -0.829 176.756 177.584 0.002 0.000 1.330 716 A CA -0.608 51.418 52.037 -0.018 0.000 0.804 716 A CB 0.729 19.728 19.000 -0.002 0.000 1.135 716 A HN 0.693 nan 8.150 nan 0.000 0.483 717 A N 2.718 125.539 122.820 0.001 0.000 2.271 717 A HA 0.690 5.010 4.320 -0.000 0.000 0.317 717 A C 0.186 177.782 177.584 0.019 0.000 1.245 717 A CA -0.613 51.430 52.037 0.011 0.000 0.857 717 A CB 0.398 19.396 19.000 -0.003 0.000 1.175 717 A HN 0.820 nan 8.150 nan 0.000 0.512 718 R N 3.000 123.521 120.500 0.035 0.000 2.215 718 R HA 0.391 4.731 4.340 -0.000 0.000 0.336 718 R C 0.059 176.376 176.300 0.027 0.000 0.996 718 R CA -0.151 55.969 56.100 0.034 0.000 0.847 718 R CB 0.719 31.048 30.300 0.047 0.000 1.127 718 R HN 0.752 nan 8.270 nan 0.000 0.465 719 T N 2.019 116.583 114.554 0.015 0.000 2.764 719 T HA 0.058 4.408 4.350 -0.000 0.000 0.243 719 T C 1.253 175.960 174.700 0.011 0.000 1.065 719 T CA 1.202 63.306 62.100 0.007 0.000 1.219 719 T CB -0.089 68.780 68.868 0.002 0.000 0.918 719 T HN 0.760 nan 8.240 nan 0.000 0.409 720 G N -0.370 108.437 108.800 0.012 0.000 2.865 720 G HA2 0.144 4.104 3.960 -0.000 0.000 0.204 720 G HA3 0.144 4.104 3.960 -0.000 0.000 0.204 720 G C 0.941 175.852 174.900 0.017 0.000 1.140 720 G CA 0.082 45.190 45.100 0.013 0.000 0.842 720 G HN 0.406 nan 8.290 nan 0.000 0.631 721 N N -0.726 117.984 118.700 0.016 0.000 2.073 721 N HA 0.185 4.925 4.740 -0.000 0.000 0.227 721 N C -0.999 174.520 175.510 0.016 0.000 1.367 721 N CA -0.098 52.962 53.050 0.017 0.000 0.775 721 N CB 1.340 39.835 38.487 0.015 0.000 1.234 721 N HN 0.083 nan 8.380 nan 0.000 0.512 722 T N 0.908 115.471 114.554 0.015 0.000 2.797 722 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 722 T C -0.178 174.532 174.700 0.016 0.000 0.991 722 T CA -0.239 61.870 62.100 0.014 0.000 0.979 722 T CB 1.472 70.347 68.868 0.011 0.000 0.943 722 T HN -0.035 nan 8.240 nan 0.000 0.444 723 I N 3.069 123.650 120.570 0.018 0.000 2.382 723 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 723 I C 0.131 176.258 176.117 0.018 0.000 1.002 723 I CA -0.678 60.633 61.300 0.019 0.000 1.135 723 I CB 1.726 39.739 38.000 0.022 0.000 1.288 723 I HN 0.505 nan 8.210 nan 0.000 0.448 724 T N 5.699 120.261 114.554 0.013 0.000 2.795 724 T HA 0.469 4.819 4.350 -0.000 0.000 0.282 724 T C -0.117 174.589 174.700 0.010 0.000 0.980 724 T CA -0.471 61.637 62.100 0.013 0.000 1.012 724 T CB 1.907 70.779 68.868 0.007 0.000 0.936 724 T HN 0.174 nan 8.240 nan 0.000 0.457 725 V N 4.182 124.111 119.914 0.025 0.000 2.417 725 V HA 0.702 4.822 4.120 -0.000 0.000 0.291 725 V C 0.291 176.403 176.094 0.030 0.000 1.024 725 V CA -0.795 61.520 62.300 0.025 0.000 0.861 725 V CB 1.522 33.390 31.823 0.076 0.000 0.985 725 V HN 1.128 nan 8.190 nan 0.000 0.436 726 T N 1.032 115.572 114.554 -0.022 0.000 2.916 726 T HA 0.828 5.178 4.350 -0.000 0.000 0.298 726 T C -0.277 174.348 174.700 -0.124 0.000 1.031 726 T CA -0.576 61.507 62.100 -0.028 0.000 0.993 726 T CB 1.952 70.795 68.868 -0.041 0.000 1.045 726 T HN 1.001 nan 8.240 nan 0.000 0.454 727 G N 0.397 109.140 108.800 -0.095 0.000 2.662 727 G HA2 0.759 4.719 3.960 -0.000 0.000 0.302 727 G HA3 0.759 4.719 3.960 -0.000 0.000 0.302 727 G C -1.081 173.671 174.900 -0.247 0.000 1.389 727 G CA -0.764 44.131 45.100 -0.341 0.000 0.998 727 G HN 1.125 nan 8.290 nan 0.000 0.502 728 A N 0.696 123.226 122.820 -0.484 0.000 2.365 728 A HA 1.073 5.393 4.320 -0.000 0.000 0.318 728 A C 0.525 178.001 177.584 -0.180 0.000 1.091 728 A CA 0.214 52.132 52.037 -0.198 0.000 0.763 728 A CB 1.567 20.475 19.000 -0.153 0.000 1.248 728 A HN 2.626 nan 8.150 nan 0.000 0.442 729 G N 0.161 109.045 108.800 0.140 0.000 2.409 729 G HA2 0.142 4.102 3.960 -0.000 0.000 0.421 729 G HA3 0.142 4.102 3.960 -0.000 0.000 0.421 729 G C -0.617 174.558 174.900 0.458 0.000 1.259 729 G CA -0.147 45.123 45.100 0.284 0.000 1.011 729 G HN 1.058 nan 8.290 nan 0.000 0.497 730 E N 0.260 120.657 120.200 0.327 0.000 2.081 730 E HA 0.620 4.970 4.350 -0.000 0.000 0.276 730 E C -0.006 176.653 176.600 0.099 0.000 0.950 730 E CA -0.090 56.424 56.400 0.191 0.000 0.776 730 E CB 0.744 30.509 29.700 0.107 0.000 1.094 730 E HN 1.410 nan 8.360 nan 0.000 0.402 731 A N 4.181 126.947 122.820 -0.090 0.000 2.549 731 A HA 0.715 5.035 4.320 -0.000 0.000 0.297 731 A C -1.464 176.162 177.584 0.070 0.000 1.061 731 A CA -0.895 50.984 52.037 -0.265 0.000 0.690 731 A CB 1.699 19.770 19.000 -1.548 0.000 1.287 731 A HN 0.481 nan 8.150 nan 0.000 0.402 732 K N 0.954 121.450 120.400 0.160 0.000 2.469 732 K HA 0.525 4.845 4.320 -0.000 0.000 0.254 732 K C 0.024 176.713 176.600 0.149 0.000 0.939 732 K CA -0.625 55.747 56.287 0.142 0.000 0.812 732 K CB 1.347 33.875 32.500 0.048 0.000 1.301 732 K HN 0.709 nan 8.250 nan 0.000 0.433 733 N N 2.331 121.046 118.700 0.025 0.000 2.707 733 N HA -0.166 4.574 4.740 -0.000 0.000 0.253 733 N C -1.076 174.468 175.510 0.057 0.000 0.998 733 N CA 0.589 53.620 53.050 -0.031 0.000 0.751 733 N CB -0.054 38.428 38.487 -0.010 0.000 0.920 733 N HN 0.558 nan 8.380 nan 0.000 0.539 734 W N -0.446 120.880 121.300 0.043 0.000 2.415 734 W HA 0.656 5.316 4.660 -0.000 0.000 0.355 734 W C 0.135 176.738 176.519 0.140 0.000 1.161 734 W CA -0.654 56.757 57.345 0.110 0.000 1.315 734 W CB 0.435 30.063 29.460 0.281 0.000 1.261 734 W HN 0.031 nan 8.180 nan 0.000 0.636 735 T N 1.878 116.736 114.554 0.506 0.000 2.916 735 T HA 0.515 4.864 4.350 -0.000 0.000 0.292 735 T C -1.615 173.387 174.700 0.502 0.000 1.055 735 T CA -0.811 61.479 62.100 0.316 0.000 1.009 735 T CB 1.683 70.620 68.868 0.115 0.000 1.118 735 T HN 0.451 nan 8.240 nan 0.000 0.497 736 L N 3.979 125.392 121.223 0.316 0.000 2.372 736 L HA 0.549 4.889 4.340 -0.000 0.000 0.273 736 L C -0.730 176.172 176.870 0.053 0.000 0.989 736 L CA -0.582 54.412 54.840 0.258 0.000 0.841 736 L CB 0.400 42.641 42.059 0.305 0.000 1.225 736 L HN 0.939 nan 8.230 nan 0.000 0.414 737 C N 6.898 126.139 119.300 -0.098 0.000 2.265 737 C HA 0.428 4.888 4.460 -0.000 0.000 0.332 737 C C 0.535 175.470 174.990 -0.092 0.000 1.248 737 C CA -0.788 58.151 59.018 -0.133 0.000 1.727 737 C CB -0.409 27.165 27.740 -0.276 0.000 2.348 737 C HN 0.714 nan 8.230 nan 0.000 0.519 738 L N 6.595 127.792 121.223 -0.045 0.000 2.404 738 L HA 0.272 4.612 4.340 -0.000 0.000 0.277 738 L C 0.840 177.674 176.870 -0.060 0.000 1.184 738 L CA -0.174 54.639 54.840 -0.044 0.000 1.013 738 L CB -0.523 41.528 42.059 -0.012 0.000 1.318 738 L HN 0.692 nan 8.230 nan 0.000 0.435 739 R N 3.403 123.821 120.500 -0.137 0.000 2.523 739 R HA -0.095 4.245 4.340 -0.000 0.000 0.281 739 R C 0.950 177.222 176.300 -0.047 0.000 0.969 739 R CA 0.615 56.627 56.100 -0.147 0.000 1.093 739 R CB -0.181 29.859 30.300 -0.432 0.000 0.917 739 R HN 0.555 nan 8.270 nan 0.000 0.408 740 N N 1.014 119.715 118.700 0.002 0.000 2.713 740 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 740 N C -1.254 174.270 175.510 0.023 0.000 1.117 740 N CA 1.285 54.352 53.050 0.029 0.000 0.770 740 N CB -0.655 37.863 38.487 0.052 0.000 1.137 740 N HN 0.218 nan 8.380 nan 0.000 0.566 741 V N 1.705 121.626 119.914 0.012 0.000 2.293 741 V HA 0.160 4.280 4.120 -0.000 0.000 0.275 741 V C 1.697 177.799 176.094 0.014 0.000 1.021 741 V CA -0.294 62.014 62.300 0.013 0.000 0.815 741 V CB 1.430 33.257 31.823 0.006 0.000 1.025 741 V HN 0.114 nan 8.190 nan 0.000 0.448 742 V N 2.045 121.970 119.914 0.018 0.000 2.323 742 V HA 0.148 4.267 4.120 -0.000 0.000 0.244 742 V C 0.875 176.978 176.094 0.014 0.000 1.041 742 V CA 1.037 63.348 62.300 0.018 0.000 1.025 742 V CB -0.208 31.626 31.823 0.019 0.000 0.656 742 V HN 0.639 nan 8.190 nan 0.000 0.451 743 K N -0.168 120.241 120.400 0.014 0.000 2.324 743 K HA 0.645 4.964 4.320 -0.000 0.000 0.253 743 K C -1.392 175.215 176.600 0.011 0.000 0.932 743 K CA -0.554 55.740 56.287 0.012 0.000 0.799 743 K CB 2.437 34.944 32.500 0.012 0.000 1.154 743 K HN 0.200 nan 8.250 nan 0.000 0.425 744 V N 3.197 123.117 119.914 0.010 0.000 2.850 744 V HA 0.223 4.343 4.120 -0.000 0.000 0.315 744 V C 0.586 176.686 176.094 0.009 0.000 1.064 744 V CA -0.367 61.940 62.300 0.010 0.000 0.979 744 V CB 1.739 33.568 31.823 0.010 0.000 1.039 744 V HN 1.018 nan 8.190 nan 0.000 0.452 745 N N 2.754 121.460 118.700 0.010 0.000 2.148 745 N HA 0.251 4.991 4.740 -0.000 0.000 0.186 745 N C 0.462 175.976 175.510 0.008 0.000 1.031 745 N CA 1.451 54.507 53.050 0.009 0.000 0.848 745 N CB 0.026 38.518 38.487 0.009 0.000 1.005 745 N HN 0.897 nan 8.380 nan 0.000 0.427 746 G N -0.908 107.897 108.800 0.008 0.000 2.866 746 G HA2 0.631 4.591 3.960 -0.000 0.000 0.289 746 G HA3 0.631 4.591 3.960 -0.000 0.000 0.289 746 G C -1.996 172.909 174.900 0.007 0.000 1.396 746 G CA -0.549 44.555 45.100 0.007 0.000 0.848 746 G HN 0.193 nan 8.290 nan 0.000 0.515 747 L N -0.267 120.960 121.223 0.006 0.000 2.705 747 L HA 0.371 4.711 4.340 -0.000 0.000 0.260 747 L C -1.511 175.361 176.870 0.004 0.000 0.921 747 L CA -0.771 54.072 54.840 0.006 0.000 0.948 747 L CB 2.105 44.166 42.059 0.004 0.000 1.427 747 L HN 0.450 nan 8.230 nan 0.000 0.432 748 Q N 2.588 122.393 119.800 0.007 0.000 2.312 748 Q HA 0.344 4.684 4.340 -0.000 0.000 0.263 748 Q C -0.804 175.199 176.000 0.005 0.000 0.995 748 Q CA -0.464 55.343 55.803 0.006 0.000 0.853 748 Q CB 1.944 30.688 28.738 0.009 0.000 1.300 748 Q HN 0.694 nan 8.270 nan 0.000 0.448 749 D N 0.762 121.162 120.400 -0.001 0.000 2.699 749 D HA -0.109 4.531 4.640 -0.000 0.000 0.239 749 D C -0.193 176.094 176.300 -0.021 0.000 1.136 749 D CA 1.603 55.599 54.000 -0.007 0.000 0.668 749 D CB -0.932 39.871 40.800 0.005 0.000 1.060 749 D HN 0.825 nan 8.370 nan 0.000 0.429 750 G N -1.105 107.680 108.800 -0.025 0.000 2.633 750 G HA2 0.512 4.472 3.960 -0.000 0.000 0.299 750 G HA3 0.512 4.472 3.960 -0.000 0.000 0.299 750 G C -0.620 174.260 174.900 -0.033 0.000 1.501 750 G CA -0.296 44.780 45.100 -0.041 0.000 0.887 750 G HN 0.499 nan 8.290 nan 0.000 0.561 751 S N 0.239 115.913 115.700 -0.043 0.000 2.578 751 S HA 0.744 5.213 4.470 -0.000 0.000 0.283 751 S C -0.055 174.529 174.600 -0.027 0.000 1.195 751 S CA -0.674 57.507 58.200 -0.032 0.000 1.050 751 S CB 1.708 64.887 63.200 -0.036 0.000 1.012 751 S HN 0.989 nan 8.310 nan 0.000 0.511 752 Q N 0.946 120.736 119.800 -0.016 0.000 2.301 752 Q HA 0.842 5.182 4.340 -0.000 0.000 0.267 752 Q C -0.971 175.025 176.000 -0.007 0.000 1.035 752 Q CA -1.412 54.386 55.803 -0.009 0.000 0.856 752 Q CB 1.928 30.665 28.738 -0.003 0.000 1.337 752 Q HN 0.899 nan 8.270 nan 0.000 0.450 753 A N 1.509 124.328 122.820 -0.003 0.000 2.556 753 A HA 0.533 4.853 4.320 -0.000 0.000 0.294 753 A C -1.081 176.507 177.584 0.007 0.000 1.091 753 A CA -0.871 51.166 52.037 0.001 0.000 0.704 753 A CB 1.637 20.637 19.000 -0.001 0.000 1.300 753 A HN 0.818 nan 8.150 nan 0.000 0.406 754 E N 0.006 120.212 120.200 0.011 0.000 2.342 754 E HA 0.588 4.938 4.350 -0.000 0.000 0.257 754 E C -0.274 176.341 176.600 0.024 0.000 1.150 754 E CA -0.221 56.189 56.400 0.017 0.000 0.926 754 E CB 1.315 31.026 29.700 0.017 0.000 1.074 754 E HN 0.617 nan 8.360 nan 0.000 0.449 755 S N -0.655 115.064 115.700 0.031 0.000 2.578 755 S HA 0.087 4.557 4.470 -0.000 0.000 0.272 755 S C -0.315 174.316 174.600 0.051 0.000 1.145 755 S CA -0.617 57.610 58.200 0.045 0.000 0.835 755 S CB 1.270 64.502 63.200 0.053 0.000 1.104 755 S HN 0.552 nan 8.310 nan 0.000 0.458 756 E N 0.887 121.124 120.200 0.063 0.000 2.285 756 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 756 E C 1.276 177.923 176.600 0.077 0.000 0.997 756 E CA 0.742 57.182 56.400 0.066 0.000 0.845 756 E CB 0.050 29.793 29.700 0.072 0.000 0.782 756 E HN 0.585 nan 8.360 nan 0.000 0.491 757 Q N -0.344 119.511 119.800 0.091 0.000 2.408 757 Q HA 0.190 4.530 4.340 -0.000 0.000 0.205 757 Q C 0.508 176.547 176.000 0.065 0.000 0.919 757 Q CA 0.329 56.191 55.803 0.099 0.000 0.932 757 Q CB 1.308 30.132 28.738 0.143 0.000 1.058 757 Q HN 0.165 nan 8.270 nan 0.000 0.517 758 G N 0.389 109.220 108.800 0.052 0.000 2.347 758 G HA2 0.065 4.025 3.960 -0.000 0.000 0.321 758 G HA3 0.065 4.025 3.960 -0.000 0.000 0.321 758 G C -1.899 173.014 174.900 0.022 0.000 1.412 758 G CA -1.198 43.919 45.100 0.028 0.000 0.990 758 G HN 0.002 nan 8.290 nan 0.000 0.637 759 L N 0.004 121.235 121.223 0.013 0.000 2.543 759 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 759 L C 0.471 177.343 176.870 0.004 0.000 1.236 759 L CA 0.301 55.147 54.840 0.010 0.000 0.871 759 L CB 0.919 42.983 42.059 0.008 0.000 1.121 759 L HN 0.558 nan 8.230 nan 0.000 0.501 760 V N 5.679 125.596 119.914 0.005 0.000 2.459 760 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 760 V C -0.371 175.725 176.094 0.003 0.000 1.029 760 V CA -0.706 61.594 62.300 0.000 0.000 0.874 760 V CB 1.879 33.703 31.823 0.003 0.000 0.985 760 V HN 0.527 nan 8.190 nan 0.000 0.438 761 V N 4.032 123.953 119.914 0.012 0.000 2.555 761 V HA 0.592 4.712 4.120 -0.000 0.000 0.302 761 V C -0.363 175.720 176.094 -0.019 0.000 1.038 761 V CA -0.954 61.348 62.300 0.004 0.000 0.887 761 V CB 2.028 33.864 31.823 0.022 0.000 0.991 761 V HN 0.811 nan 8.190 nan 0.000 0.434 762 K N 7.459 127.818 120.400 -0.069 0.000 2.394 762 K HA 0.567 4.887 4.320 -0.000 0.000 0.260 762 K C -2.629 173.850 176.600 -0.201 0.000 0.967 762 K CA -2.256 53.938 56.287 -0.156 0.000 0.855 762 K CB 1.889 34.313 32.500 -0.126 0.000 1.101 762 K HN 0.368 nan 8.250 nan 0.000 0.433 763 P HA 0.103 nan 4.420 nan 0.000 0.272 763 P C -1.412 175.749 177.300 -0.232 0.000 1.240 763 P CA -0.091 62.828 63.100 -0.301 0.000 0.791 763 P CB 0.616 32.004 31.700 -0.519 0.000 0.978 764 Q N -0.767 118.957 119.800 -0.128 0.000 2.825 764 Q HA 0.429 4.768 4.340 -0.000 0.000 0.219 764 Q C -0.049 175.929 176.000 -0.036 0.000 0.942 764 Q CA -0.348 55.404 55.803 -0.084 0.000 1.147 764 Q CB 0.089 28.779 28.738 -0.079 0.000 1.723 764 Q HN 0.763 nan 8.270 nan 0.000 0.541 765 G N 1.991 110.782 108.800 -0.015 0.000 2.175 765 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 765 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 765 G C 0.161 175.076 174.900 0.024 0.000 0.982 765 G CA -0.091 45.012 45.100 0.005 0.000 0.641 765 G HN 0.891 nan 8.290 nan 0.000 0.527 766 N N -0.499 118.224 118.700 0.038 0.000 2.585 766 N HA 0.064 4.804 4.740 -0.000 0.000 0.304 766 N C 0.581 176.128 175.510 0.063 0.000 1.325 766 N CA 2.035 55.131 53.050 0.078 0.000 0.678 766 N CB -0.918 37.634 38.487 0.109 0.000 1.015 766 N HN 2.125 nan 8.380 nan 0.000 0.518 767 A N 2.692 125.549 122.820 0.062 0.000 2.263 767 A HA 0.013 4.333 4.320 -0.000 0.000 0.224 767 A C -0.013 177.596 177.584 0.042 0.000 2.879 767 A CA -0.595 51.469 52.037 0.045 0.000 1.767 767 A CB -0.724 18.295 19.000 0.030 0.000 0.207 767 A HN 0.501 nan 8.150 nan 0.000 0.702 768 L N 1.612 122.871 121.223 0.060 0.000 2.615 768 L HA 0.375 4.715 4.340 -0.000 0.000 0.284 768 L C -0.505 176.390 176.870 0.043 0.000 1.237 768 L CA 2.063 56.936 54.840 0.055 0.000 0.905 768 L CB 0.172 42.289 42.059 0.096 0.000 1.149 768 L HN 0.514 nan 8.230 nan 0.000 0.499 769 T N 6.342 120.914 114.554 0.031 0.000 3.172 769 T HA 0.496 4.846 4.350 -0.000 0.000 0.320 769 T C -0.571 174.142 174.700 0.020 0.000 1.085 769 T CA -0.418 61.697 62.100 0.024 0.000 1.052 769 T CB 1.588 70.467 68.868 0.018 0.000 1.107 769 T HN 0.565 nan 8.240 nan 0.000 0.458 770 I N -0.062 120.520 120.570 0.021 0.000 2.689 770 I HA 0.873 5.043 4.170 -0.000 0.000 0.299 770 I C -0.663 175.464 176.117 0.016 0.000 1.059 770 I CA -0.393 60.918 61.300 0.018 0.000 1.055 770 I CB 2.429 40.442 38.000 0.020 0.000 1.243 770 I HN 0.439 nan 8.210 nan 0.000 0.425 771 T N 7.023 121.585 114.554 0.013 0.000 2.791 771 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 771 T C -0.058 174.650 174.700 0.013 0.000 0.999 771 T CA -0.508 61.599 62.100 0.013 0.000 0.952 771 T CB 0.834 69.708 68.868 0.011 0.000 0.938 771 T HN 0.388 nan 8.240 nan 0.000 0.444 772 L N 2.745 123.976 121.223 0.014 0.000 2.476 772 L HA 0.354 4.694 4.340 -0.000 0.000 0.255 772 L C 1.615 178.493 176.870 0.013 0.000 1.218 772 L CA 0.089 54.938 54.840 0.014 0.000 0.819 772 L CB -0.735 41.334 42.059 0.016 0.000 1.119 772 L HN 0.979 nan 8.230 nan 0.000 0.485 773 H N 0.000 119.078 119.070 0.013 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.055 56.048 0.012 0.000 1.023 773 H CB 0.000 29.769 29.762 0.012 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496