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 1xsi_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 0.000 176.154 176.300 -0.244 0.000 1.140 1 M CA 0.000 55.169 55.300 -0.219 0.000 0.988 1 M CB 0.000 32.398 32.600 -0.336 0.000 1.302 2 K N 4.891 125.162 120.400 -0.214 0.000 2.383 2 K HA 0.315 4.635 4.320 -0.000 0.000 0.286 2 K C 0.147 176.589 176.600 -0.263 0.000 1.051 2 K CA 0.179 56.343 56.287 -0.206 0.000 0.974 2 K CB 0.904 33.314 32.500 -0.149 0.000 0.968 2 K HN 0.677 nan 8.250 nan 0.000 0.475 3 I N 0.524 120.916 120.570 -0.297 0.000 3.196 3 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 3 I C 0.949 176.920 176.117 -0.244 0.000 1.105 3 I CA 0.254 61.343 61.300 -0.352 0.000 1.482 3 I CB 0.021 37.670 38.000 -0.586 0.000 1.400 3 I HN 0.521 nan 8.210 nan 0.000 0.464 4 S N 0.450 116.021 115.700 -0.216 0.000 2.603 4 S HA 0.117 4.587 4.470 -0.000 0.000 0.268 4 S C -0.287 174.244 174.600 -0.114 0.000 1.317 4 S CA -0.492 57.622 58.200 -0.145 0.000 1.012 4 S CB 1.296 64.414 63.200 -0.137 0.000 0.926 4 S HN 0.241 nan 8.310 nan 0.000 0.539 5 D N 0.532 120.886 120.400 -0.076 0.000 2.479 5 D HA 0.503 5.143 4.640 -0.000 0.000 0.247 5 D C 0.836 177.113 176.300 -0.038 0.000 1.119 5 D CA 0.821 54.790 54.000 -0.052 0.000 0.922 5 D CB -0.147 40.636 40.800 -0.029 0.000 1.014 5 D HN 1.079 nan 8.370 nan 0.000 0.510 6 G N 3.591 112.350 108.800 -0.068 0.000 2.698 6 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.233 6 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.233 6 G C 0.793 175.586 174.900 -0.178 0.000 1.352 6 G CA 0.071 45.116 45.100 -0.092 0.000 0.879 6 G HN 0.519 nan 8.290 nan 0.000 0.567 7 N N -0.763 117.726 118.700 -0.352 0.000 2.354 7 N HA 0.063 4.803 4.740 -0.000 0.000 0.179 7 N C 1.888 177.050 175.510 -0.580 0.000 1.021 7 N CA 2.242 54.918 53.050 -0.624 0.000 0.887 7 N CB -0.066 37.797 38.487 -1.040 0.000 0.974 7 N HN 0.616 nan 8.380 nan 0.000 0.437 8 W N -0.302 120.986 121.300 -0.020 0.000 2.808 8 W HA 0.401 5.061 4.660 -0.000 0.000 0.266 8 W C 0.394 176.903 176.519 -0.016 0.000 1.247 8 W CA -0.539 56.797 57.345 -0.015 0.000 1.440 8 W CB 0.425 29.877 29.460 -0.014 0.000 1.040 8 W HN -0.136 nan 8.180 nan 0.000 0.606 9 L N -0.172 121.141 121.223 0.151 0.000 2.211 9 L HA 0.656 4.996 4.340 -0.000 0.000 0.259 9 L C -0.468 176.415 176.870 0.021 0.000 1.031 9 L CA -1.325 53.568 54.840 0.088 0.000 0.877 9 L CB 1.631 43.738 42.059 0.080 0.000 1.457 9 L HN -0.326 nan 8.230 nan 0.000 0.466 10 I N -0.456 120.115 120.570 0.002 0.000 2.785 10 I HA 0.215 4.384 4.170 -0.000 0.000 0.302 10 I C -0.542 175.547 176.117 -0.048 0.000 1.069 10 I CA -0.840 60.438 61.300 -0.037 0.000 1.045 10 I CB 2.085 40.068 38.000 -0.029 0.000 1.236 10 I HN 0.468 nan 8.210 nan 0.000 0.429 11 Q N 4.047 123.799 119.800 -0.080 0.000 2.304 11 Q HA 0.087 4.427 4.340 -0.000 0.000 0.301 11 Q C -2.282 173.681 176.000 -0.061 0.000 1.063 11 Q CA -1.154 54.603 55.803 -0.078 0.000 0.947 11 Q CB -0.232 28.440 28.738 -0.109 0.000 1.201 11 Q HN 0.191 nan 8.270 nan 0.000 0.389 12 P HA -0.011 nan 4.420 nan 0.000 0.265 12 P C 0.684 177.960 177.300 -0.040 0.000 1.193 12 P CA 1.053 64.132 63.100 -0.035 0.000 0.765 12 P CB 0.404 32.087 31.700 -0.028 0.000 0.823 13 G N 1.972 110.753 108.800 -0.032 0.000 2.199 13 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 13 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 13 G C -0.109 174.766 174.900 -0.043 0.000 0.982 13 G CA -0.344 44.737 45.100 -0.032 0.000 0.632 13 G HN 0.460 nan 8.290 nan 0.000 0.529 14 L N 1.135 122.324 121.223 -0.058 0.000 2.292 14 L HA 0.492 4.831 4.340 -0.000 0.000 0.284 14 L C -0.503 176.329 176.870 -0.062 0.000 1.065 14 L CA -0.877 53.917 54.840 -0.076 0.000 0.806 14 L CB 1.150 43.139 42.059 -0.116 0.000 1.175 14 L HN 0.038 nan 8.230 nan 0.000 0.431 15 N N 4.842 123.503 118.700 -0.066 0.000 2.372 15 N HA 0.643 5.383 4.740 -0.000 0.000 0.285 15 N C -0.956 174.511 175.510 -0.072 0.000 1.008 15 N CA -0.412 52.607 53.050 -0.051 0.000 0.880 15 N CB 2.505 40.974 38.487 -0.031 0.000 1.239 15 N HN 0.409 nan 8.380 nan 0.000 0.484 16 L N 2.023 123.203 121.223 -0.073 0.000 2.341 16 L HA 0.718 5.058 4.340 -0.000 0.000 0.267 16 L C -0.043 176.699 176.870 -0.214 0.000 1.009 16 L CA -1.131 53.632 54.840 -0.128 0.000 0.819 16 L CB 1.788 43.777 42.059 -0.118 0.000 1.323 16 L HN 0.436 nan 8.230 nan 0.000 0.425 17 I N -2.104 118.314 120.570 -0.253 0.000 2.722 17 I HA 0.601 4.770 4.170 -0.000 0.000 0.295 17 I C -1.255 174.748 176.117 -0.189 0.000 1.161 17 I CA -0.658 60.535 61.300 -0.179 0.000 1.032 17 I CB 2.410 40.434 38.000 0.040 0.000 1.244 17 I HN 0.499 nan 8.210 nan 0.000 0.421 18 H N 2.840 122.011 119.070 0.168 0.000 2.768 18 H HA 0.466 5.022 4.556 -0.000 0.000 0.371 18 H C -2.767 172.404 175.328 -0.262 0.000 1.151 18 H CA -1.980 53.952 56.048 -0.195 0.000 1.165 18 H CB 2.518 32.159 29.762 -0.203 0.000 1.722 18 H HN 0.404 nan 8.280 nan 0.000 0.543 19 P HA 0.087 nan 4.420 nan 0.000 0.270 19 P C 0.408 177.088 177.300 -1.033 0.000 1.242 19 P CA 0.064 62.769 63.100 -0.659 0.000 0.768 19 P CB 1.071 32.223 31.700 -0.913 0.000 0.820 20 L N 1.703 122.571 121.223 -0.591 0.000 2.749 20 L HA 0.264 4.604 4.340 -0.000 0.000 0.242 20 L C 0.965 177.788 176.870 -0.078 0.000 1.103 20 L CA 0.515 55.122 54.840 -0.388 0.000 0.906 20 L CB 0.560 42.543 42.059 -0.127 0.000 1.228 20 L HN 0.454 nan 8.230 nan 0.000 0.517 21 Q N 0.431 120.234 119.800 0.005 0.000 2.320 21 Q HA 0.321 4.661 4.340 -0.000 0.000 0.272 21 Q C -1.441 174.785 176.000 0.376 0.000 1.023 21 Q CA -0.318 55.644 55.803 0.264 0.000 0.855 21 Q CB 3.285 32.116 28.738 0.155 0.000 1.367 21 Q HN -0.155 nan 8.270 nan 0.000 0.406 22 V N 5.074 125.279 119.914 0.486 0.000 2.572 22 V HA 0.052 4.172 4.120 -0.000 0.000 0.291 22 V C 0.459 176.756 176.094 0.338 0.000 1.039 22 V CA 0.602 63.166 62.300 0.440 0.000 1.055 22 V CB 0.563 32.573 31.823 0.311 0.000 0.969 22 V HN 0.850 nan 8.190 nan 0.000 0.482 23 F N 3.235 123.328 119.950 0.237 0.000 2.383 23 F HA 0.349 4.876 4.527 -0.000 0.000 0.287 23 F C 0.930 176.836 175.800 0.176 0.000 1.069 23 F CA 0.684 58.792 58.000 0.180 0.000 1.402 23 F CB 0.556 39.653 39.000 0.161 0.000 1.116 23 F HN 0.563 nan 8.300 nan 0.000 0.549 24 E N 0.261 120.540 120.200 0.132 0.000 2.375 24 E HA 0.482 4.832 4.350 -0.000 0.000 0.280 24 E C -2.042 174.715 176.600 0.262 0.000 0.972 24 E CA -0.755 55.681 56.400 0.061 0.000 0.782 24 E CB 2.360 32.103 29.700 0.072 0.000 1.229 24 E HN -0.136 nan 8.360 nan 0.000 0.439 25 V N 2.936 122.946 119.914 0.160 0.000 2.487 25 V HA 0.452 4.572 4.120 -0.000 0.000 0.298 25 V C -0.615 175.566 176.094 0.145 0.000 1.028 25 V CA -0.641 61.748 62.300 0.149 0.000 0.860 25 V CB 1.650 33.526 31.823 0.089 0.000 0.991 25 V HN 0.657 nan 8.190 nan 0.000 0.427 26 E N 3.279 123.571 120.200 0.154 0.000 2.224 26 E HA 0.380 4.730 4.350 -0.000 0.000 0.265 26 E C -0.973 175.690 176.600 0.105 0.000 0.878 26 E CA -0.635 55.853 56.400 0.147 0.000 0.759 26 E CB 2.017 31.855 29.700 0.229 0.000 1.164 26 E HN 0.768 nan 8.360 nan 0.000 0.414 27 Q N 3.513 123.369 119.800 0.093 0.000 2.279 27 Q HA 0.145 4.485 4.340 -0.000 0.000 0.256 27 Q C -0.947 175.102 176.000 0.081 0.000 0.937 27 Q CA -0.101 55.757 55.803 0.092 0.000 0.933 27 Q CB 0.878 29.667 28.738 0.085 0.000 1.189 27 Q HN 0.445 nan 8.270 nan 0.000 0.417 28 Q N 4.333 124.178 119.800 0.076 0.000 2.607 28 Q HA 0.136 4.476 4.340 -0.000 0.000 0.247 28 Q C -0.753 175.284 176.000 0.061 0.000 1.033 28 Q CA -0.473 55.365 55.803 0.058 0.000 0.769 28 Q CB 1.113 29.873 28.738 0.038 0.000 1.169 28 Q HN 0.945 nan 8.270 nan 0.000 0.508 29 D N 2.702 123.140 120.400 0.062 0.000 4.334 29 D HA -0.293 4.347 4.640 -0.000 0.000 0.183 29 D C 0.445 176.805 176.300 0.100 0.000 0.667 29 D CA 2.705 56.745 54.000 0.067 0.000 1.106 29 D CB -0.809 40.023 40.800 0.052 0.000 0.544 29 D HN 0.695 nan 8.370 nan 0.000 0.458 30 N N 1.559 120.332 118.700 0.123 0.000 2.251 30 N HA 0.185 4.925 4.740 -0.000 0.000 0.217 30 N C -0.603 175.088 175.510 0.302 0.000 1.124 30 N CA 0.148 53.318 53.050 0.200 0.000 0.843 30 N CB 0.253 38.846 38.487 0.177 0.000 1.024 30 N HN 0.533 nan 8.380 nan 0.000 0.501 31 E N 0.249 120.562 120.200 0.188 0.000 2.266 31 E HA 0.313 4.663 4.350 -0.000 0.000 0.268 31 E C -1.121 175.530 176.600 0.085 0.000 0.879 31 E CA -0.647 55.808 56.400 0.092 0.000 0.762 31 E CB 2.544 32.254 29.700 0.015 0.000 1.199 31 E HN 0.085 nan 8.360 nan 0.000 0.422 32 M N 3.166 122.782 119.600 0.026 0.000 2.167 32 M HA 0.366 4.846 4.480 -0.000 0.000 0.333 32 M C -1.684 174.686 176.300 0.117 0.000 1.030 32 M CA -0.788 54.580 55.300 0.113 0.000 0.963 32 M CB 1.189 33.898 32.600 0.180 0.000 1.589 32 M HN 0.272 nan 8.290 nan 0.000 0.431 33 V N 5.793 125.739 119.914 0.053 0.000 2.417 33 V HA 0.496 4.615 4.120 -0.000 0.000 0.291 33 V C -0.585 175.463 176.094 -0.078 0.000 1.024 33 V CA -0.726 61.532 62.300 -0.071 0.000 0.861 33 V CB 1.743 33.459 31.823 -0.179 0.000 0.985 33 V HN 0.654 nan 8.190 nan 0.000 0.436 34 V N 5.489 125.371 119.914 -0.053 0.000 2.409 34 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 34 V C -0.982 175.084 176.094 -0.047 0.000 1.020 34 V CA -0.750 61.593 62.300 0.070 0.000 0.848 34 V CB 1.481 33.480 31.823 0.293 0.000 0.990 34 V HN 0.737 nan 8.190 nan 0.000 0.430 35 Y N 3.007 123.471 120.300 0.273 0.000 2.327 35 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 35 Y C 0.514 176.621 175.900 0.345 0.000 1.035 35 Y CA -0.434 57.840 58.100 0.290 0.000 1.165 35 Y CB 1.544 40.194 38.460 0.317 0.000 1.181 35 Y HN 0.692 nan 8.280 nan 0.000 0.494 36 A N 2.363 125.441 122.820 0.429 0.000 2.359 36 A HA 0.855 5.175 4.320 -0.000 0.000 0.303 36 A C -0.790 176.942 177.584 0.246 0.000 1.066 36 A CA -0.677 51.556 52.037 0.328 0.000 0.730 36 A CB 0.571 19.688 19.000 0.194 0.000 1.211 36 A HN 0.810 nan 8.150 nan 0.000 0.439 37 A N 3.321 126.250 122.820 0.183 0.000 2.304 37 A HA 0.753 5.073 4.320 -0.000 0.000 0.301 37 A C -2.024 175.599 177.584 0.066 0.000 1.132 37 A CA -1.664 50.437 52.037 0.107 0.000 0.819 37 A CB 0.365 19.418 19.000 0.088 0.000 1.094 37 A HN 0.493 nan 8.150 nan 0.000 0.492 38 P HA 0.081 nan 4.420 nan 0.000 0.249 38 P C -0.004 177.296 177.300 -0.001 0.000 1.229 38 P CA 0.562 63.702 63.100 0.067 0.000 0.788 38 P CB 0.008 31.754 31.700 0.078 0.000 1.072 39 R N -2.606 117.877 120.500 -0.029 0.000 2.829 39 R HA 0.482 4.821 4.340 -0.000 0.000 0.267 39 R C -1.374 174.880 176.300 -0.078 0.000 1.051 39 R CA -0.918 55.130 56.100 -0.088 0.000 0.927 39 R CB -0.349 29.850 30.300 -0.169 0.000 1.292 39 R HN -0.374 nan 8.270 nan 0.000 0.445 40 D N 1.062 121.374 120.400 -0.146 0.000 2.358 40 D HA 0.141 4.781 4.640 -0.000 0.000 0.258 40 D C 0.315 176.594 176.300 -0.035 0.000 1.223 40 D CA -0.175 53.770 54.000 -0.092 0.000 0.886 40 D CB 1.510 42.224 40.800 -0.143 0.000 1.120 40 D HN 0.500 nan 8.370 nan 0.000 0.482 41 V N 1.809 121.784 119.914 0.102 0.000 2.915 41 V HA 0.345 4.465 4.120 -0.000 0.000 0.364 41 V C 1.616 177.869 176.094 0.265 0.000 1.354 41 V CA -0.521 61.900 62.300 0.202 0.000 1.213 41 V CB -0.106 31.815 31.823 0.164 0.000 1.268 41 V HN 0.371 nan 8.190 nan 0.000 0.557 42 R N 0.647 121.268 120.500 0.202 0.000 2.159 42 R HA 0.046 4.386 4.340 -0.000 0.000 0.237 42 R C 0.407 176.819 176.300 0.186 0.000 1.131 42 R CA 1.060 57.265 56.100 0.176 0.000 0.982 42 R CB 0.208 30.575 30.300 0.112 0.000 0.868 42 R HN 0.572 nan 8.270 nan 0.000 0.453 43 E N -0.112 120.224 120.200 0.227 0.000 2.191 43 E HA 0.143 4.493 4.350 -0.000 0.000 0.274 43 E C 0.580 177.276 176.600 0.161 0.000 0.948 43 E CA -0.377 56.134 56.400 0.186 0.000 0.802 43 E CB 1.272 31.097 29.700 0.208 0.000 1.137 43 E HN 0.060 nan 8.360 nan 0.000 0.397 44 R N 0.517 121.069 120.500 0.086 0.000 2.105 44 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 44 R C 1.868 178.154 176.300 -0.024 0.000 1.135 44 R CA 1.547 57.674 56.100 0.045 0.000 0.967 44 R CB -0.546 29.768 30.300 0.024 0.000 0.861 44 R HN 0.475 nan 8.270 nan 0.000 0.442 45 T N -0.222 114.264 114.554 -0.115 0.000 2.778 45 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 45 T C 1.072 175.551 174.700 -0.370 0.000 1.050 45 T CA 1.268 63.181 62.100 -0.311 0.000 1.137 45 T CB -0.152 68.435 68.868 -0.469 0.000 0.860 45 T HN 0.521 nan 8.240 nan 0.000 0.468 46 W N 0.861 122.161 121.300 -0.001 0.000 3.290 46 W HA 0.308 4.968 4.660 -0.000 0.000 0.287 46 W C 1.535 178.030 176.519 -0.039 0.000 1.288 46 W CA -0.695 56.643 57.345 -0.011 0.000 1.725 46 W CB 0.262 29.724 29.460 0.004 0.000 1.103 46 W HN 0.215 nan 8.180 nan 0.000 0.670 47 Q N 1.564 121.431 119.800 0.111 0.000 2.404 47 Q HA 0.201 4.541 4.340 -0.000 0.000 0.272 47 Q C -0.564 175.403 176.000 -0.055 0.000 0.939 47 Q CA 0.237 56.030 55.803 -0.017 0.000 0.945 47 Q CB -0.643 28.074 28.738 -0.036 0.000 1.195 47 Q HN 0.269 nan 8.270 nan 0.000 0.415 48 L N -5.848 115.369 121.223 -0.009 0.000 2.869 48 L HA 0.499 4.839 4.340 -0.000 0.000 0.265 48 L C -0.953 175.929 176.870 0.019 0.000 1.011 48 L CA -1.198 53.627 54.840 -0.024 0.000 0.913 48 L CB 1.136 43.173 42.059 -0.037 0.000 1.490 48 L HN -0.201 nan 8.230 nan 0.000 0.410 49 D N -0.243 120.161 120.400 0.007 0.000 2.746 49 D HA -0.146 4.494 4.640 -0.000 0.000 0.236 49 D C -0.282 176.050 176.300 0.052 0.000 1.129 49 D CA 1.778 55.797 54.000 0.032 0.000 0.691 49 D CB -0.623 40.205 40.800 0.046 0.000 1.077 49 D HN 1.017 nan 8.370 nan 0.000 0.432 50 T N -0.953 113.613 114.554 0.020 0.000 2.982 50 T HA 0.520 4.870 4.350 -0.000 0.000 0.321 50 T C -2.579 172.102 174.700 -0.033 0.000 1.229 50 T CA -1.234 60.870 62.100 0.007 0.000 1.044 50 T CB 1.728 70.606 68.868 0.016 0.000 1.184 50 T HN -0.247 nan 8.240 nan 0.000 0.477 51 P HA 0.470 nan 4.420 nan 0.000 0.271 51 P C -1.240 175.957 177.300 -0.172 0.000 1.233 51 P CA -0.724 62.302 63.100 -0.123 0.000 0.789 51 P CB 0.419 31.994 31.700 -0.208 0.000 0.951 52 L N 1.423 122.503 121.223 -0.239 0.000 2.543 52 L HA 0.389 4.729 4.340 -0.000 0.000 0.265 52 L C -1.218 175.533 176.870 -0.198 0.000 0.945 52 L CA -0.641 54.111 54.840 -0.147 0.000 0.869 52 L CB 1.147 43.176 42.059 -0.049 0.000 1.294 52 L HN 0.300 nan 8.230 nan 0.000 0.405 53 F N 1.632 121.620 119.950 0.064 0.000 2.399 53 F HA 0.363 4.890 4.527 -0.000 0.000 0.342 53 F C 0.889 176.755 175.800 0.109 0.000 1.106 53 F CA -0.096 57.943 58.000 0.066 0.000 1.196 53 F CB 1.553 40.560 39.000 0.012 0.000 1.163 53 F HN 0.295 nan 8.300 nan 0.000 0.547 54 T N 4.804 119.509 114.554 0.253 0.000 2.788 54 T HA 0.549 4.898 4.350 -0.000 0.000 0.296 54 T C -0.580 174.134 174.700 0.024 0.000 1.009 54 T CA -0.542 61.605 62.100 0.077 0.000 0.949 54 T CB 0.446 69.351 68.868 0.062 0.000 0.946 54 T HN 0.132 nan 8.240 nan 0.000 0.453 55 L N 3.351 124.552 121.223 -0.038 0.000 2.309 55 L HA 0.624 4.964 4.340 -0.000 0.000 0.282 55 L C 0.382 177.078 176.870 -0.290 0.000 1.036 55 L CA -0.458 54.284 54.840 -0.163 0.000 0.806 55 L CB 1.184 43.190 42.059 -0.089 0.000 1.220 55 L HN 0.475 nan 8.230 nan 0.000 0.429 56 R N 2.720 122.963 120.500 -0.428 0.000 2.476 56 R HA 0.570 4.910 4.340 -0.000 0.000 0.305 56 R C -1.716 174.318 176.300 -0.443 0.000 0.965 56 R CA -0.460 55.458 56.100 -0.304 0.000 0.867 56 R CB 0.854 31.030 30.300 -0.206 0.000 1.176 56 R HN 0.382 nan 8.270 nan 0.000 0.447 57 F N 6.163 125.996 119.950 -0.194 0.000 2.415 57 F HA 0.496 5.023 4.527 -0.000 0.000 0.348 57 F C -0.232 175.113 175.800 -0.758 0.000 1.119 57 F CA -0.522 57.208 58.000 -0.450 0.000 1.069 57 F CB 1.149 39.819 39.000 -0.551 0.000 1.124 57 F HN 0.427 nan 8.300 nan 0.000 0.472 58 F N -0.212 119.355 119.950 -0.638 0.000 2.715 58 F HA 0.773 5.300 4.527 -0.000 0.000 0.318 58 F C -0.961 174.877 175.800 0.064 0.000 1.141 58 F CA -1.749 56.022 58.000 -0.381 0.000 0.950 58 F CB 1.571 40.495 39.000 -0.126 0.000 1.374 58 F HN 0.201 nan 8.300 nan 0.000 0.477 59 S N 1.506 117.408 115.700 0.336 0.000 2.779 59 S HA 0.506 4.976 4.470 -0.000 0.000 0.293 59 S C -2.189 172.505 174.600 0.157 0.000 1.150 59 S CA -1.332 56.990 58.200 0.204 0.000 1.057 59 S CB 1.397 64.778 63.200 0.301 0.000 1.021 59 S HN 0.581 nan 8.310 nan 0.000 0.485 60 P HA 0.128 nan 4.420 nan 0.000 0.230 60 P C -0.406 176.826 177.300 -0.113 0.000 1.168 60 P CA 0.609 63.708 63.100 -0.002 0.000 0.793 60 P CB 0.305 31.942 31.700 -0.105 0.000 0.851 61 Q N -0.736 118.940 119.800 -0.207 0.000 2.435 61 Q HA 0.184 4.524 4.340 -0.000 0.000 0.282 61 Q C -0.518 175.401 176.000 -0.135 0.000 1.020 61 Q CA -0.656 55.037 55.803 -0.183 0.000 0.820 61 Q CB 1.695 30.264 28.738 -0.283 0.000 1.436 61 Q HN 0.017 nan 8.270 nan 0.000 0.395 62 E N 0.292 120.436 120.200 -0.093 0.000 2.480 62 E HA 0.141 4.491 4.350 -0.000 0.000 0.258 62 E C 0.468 177.020 176.600 -0.080 0.000 0.984 62 E CA 1.504 57.860 56.400 -0.073 0.000 0.930 62 E CB 0.218 29.882 29.700 -0.059 0.000 0.936 62 E HN 0.792 nan 8.360 nan 0.000 0.466 63 G N 4.460 113.222 108.800 -0.063 0.000 2.143 63 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 63 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 63 G C 0.200 175.071 174.900 -0.049 0.000 0.991 63 G CA 0.363 45.436 45.100 -0.046 0.000 0.689 63 G HN 0.518 nan 8.290 nan 0.000 0.522 64 I N 0.359 120.883 120.570 -0.077 0.000 2.447 64 I HA 0.444 4.614 4.170 -0.000 0.000 0.287 64 I C -0.095 176.017 176.117 -0.009 0.000 1.023 64 I CA -1.141 60.099 61.300 -0.100 0.000 1.083 64 I CB 2.172 39.956 38.000 -0.360 0.000 1.245 64 I HN -0.134 nan 8.210 nan 0.000 0.434 65 V N 4.986 124.939 119.914 0.066 0.000 2.398 65 V HA 0.525 4.645 4.120 -0.000 0.000 0.286 65 V C 0.687 176.741 176.094 -0.067 0.000 1.026 65 V CA -0.488 61.885 62.300 0.121 0.000 0.868 65 V CB 1.600 33.608 31.823 0.309 0.000 0.982 65 V HN 0.883 nan 8.190 nan 0.000 0.443 66 G N 3.494 112.025 108.800 -0.449 0.000 2.372 66 G HA2 0.548 4.508 3.960 -0.000 0.000 0.283 66 G HA3 0.548 4.508 3.960 -0.000 0.000 0.283 66 G C -0.915 173.513 174.900 -0.787 0.000 1.177 66 G CA -0.290 44.142 45.100 -1.115 0.000 0.842 66 G HN 0.565 nan 8.290 nan 0.000 0.503 67 V N 2.944 122.378 119.914 -0.800 0.000 2.447 67 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 67 V C 0.038 175.797 176.094 -0.558 0.000 1.021 67 V CA -0.831 61.013 62.300 -0.761 0.000 0.850 67 V CB 1.459 32.745 31.823 -0.894 0.000 1.005 67 V HN 0.807 nan 8.190 nan 0.000 0.426 68 R N 5.188 125.484 120.500 -0.339 0.000 2.360 68 R HA 0.681 5.021 4.340 -0.000 0.000 0.318 68 R C -1.409 174.840 176.300 -0.087 0.000 0.950 68 R CA -0.570 55.476 56.100 -0.091 0.000 0.837 68 R CB 1.235 31.518 30.300 -0.029 0.000 1.165 68 R HN 0.705 nan 8.270 nan 0.000 0.458 69 I N 4.165 124.771 120.570 0.061 0.000 2.330 69 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 69 I C -0.137 176.123 176.117 0.238 0.000 1.001 69 I CA -0.415 60.946 61.300 0.101 0.000 1.193 69 I CB 1.715 39.765 38.000 0.083 0.000 1.345 69 I HN 0.448 nan 8.210 nan 0.000 0.461 70 E N 4.577 124.920 120.200 0.237 0.000 2.227 70 E HA 0.327 4.676 4.350 -0.000 0.000 0.268 70 E C -0.240 176.524 176.600 0.273 0.000 0.907 70 E CA -0.639 55.923 56.400 0.270 0.000 0.786 70 E CB 2.737 32.531 29.700 0.157 0.000 1.191 70 E HN 0.606 nan 8.360 nan 0.000 0.411 71 H N 2.424 121.526 119.070 0.055 0.000 2.923 71 H HA 0.199 4.755 4.556 -0.000 0.000 0.290 71 H C -0.257 175.030 175.328 -0.069 0.000 1.365 71 H CA -0.035 55.846 56.048 -0.278 0.000 1.982 71 H CB 0.312 29.599 29.762 -0.792 0.000 1.551 71 H HN 0.303 nan 8.280 nan 0.000 0.591 72 F N 2.039 121.764 119.950 -0.376 0.000 2.396 72 F HA 0.195 4.722 4.527 -0.000 0.000 0.343 72 F C 1.364 177.114 175.800 -0.082 0.000 1.104 72 F CA -0.280 57.539 58.000 -0.300 0.000 1.161 72 F CB 1.402 40.255 39.000 -0.244 0.000 1.146 72 F HN 0.423 nan 8.300 nan 0.000 0.522 73 Q N 1.610 121.476 119.800 0.109 0.000 2.392 73 Q HA 0.108 4.448 4.340 -0.000 0.000 0.203 73 Q C 1.839 177.860 176.000 0.034 0.000 0.917 73 Q CA 0.431 56.266 55.803 0.052 0.000 0.939 73 Q CB 0.313 29.051 28.738 -0.001 0.000 1.063 73 Q HN 0.985 nan 8.270 nan 0.000 0.516 74 G N 0.462 109.273 108.800 0.019 0.000 2.985 74 G HA2 0.263 4.222 3.960 -0.000 0.000 0.209 74 G HA3 0.263 4.222 3.960 -0.000 0.000 0.209 74 G C 0.457 175.382 174.900 0.041 0.000 1.165 74 G CA 0.208 45.302 45.100 -0.010 0.000 0.776 74 G HN 0.318 nan 8.290 nan 0.000 0.541 75 A N -0.158 122.728 122.820 0.110 0.000 2.448 75 A HA 0.416 4.736 4.320 -0.000 0.000 0.239 75 A C 1.570 179.216 177.584 0.102 0.000 1.080 75 A CA -0.307 51.808 52.037 0.131 0.000 0.779 75 A CB 0.377 19.494 19.000 0.195 0.000 1.026 75 A HN 0.214 nan 8.150 nan 0.000 0.499 76 L N 0.725 122.007 121.223 0.097 0.000 2.012 76 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 76 L C 0.804 177.738 176.870 0.107 0.000 1.073 76 L CA 1.718 56.609 54.840 0.085 0.000 0.748 76 L CB -0.736 41.370 42.059 0.077 0.000 0.891 76 L HN 0.941 nan 8.230 nan 0.000 0.431 77 N N 0.531 119.321 118.700 0.151 0.000 2.705 77 N HA -0.177 4.563 4.740 -0.000 0.000 0.255 77 N C -0.618 175.003 175.510 0.184 0.000 1.008 77 N CA -0.190 52.985 53.050 0.208 0.000 0.742 77 N CB -1.163 37.447 38.487 0.205 0.000 0.906 77 N HN 0.375 nan 8.380 nan 0.000 0.541 78 N N 0.500 119.271 118.700 0.120 0.000 2.453 78 N HA 0.169 4.909 4.740 -0.000 0.000 0.253 78 N C 1.207 176.669 175.510 -0.079 0.000 1.252 78 N CA 0.568 53.651 53.050 0.056 0.000 0.917 78 N CB 0.537 39.047 38.487 0.038 0.000 1.117 78 N HN 0.382 nan 8.380 nan 0.000 0.442 79 G N 0.944 109.589 108.800 -0.258 0.000 2.525 79 G HA2 0.215 4.175 3.960 -0.000 0.000 0.276 79 G HA3 0.215 4.175 3.960 -0.000 0.000 0.276 79 G C -2.266 172.410 174.900 -0.374 0.000 1.388 79 G CA -0.505 44.172 45.100 -0.706 0.000 1.050 79 G HN 0.373 nan 8.290 nan 0.000 0.520 80 P HA 0.202 nan 4.420 nan 0.000 0.274 80 P C -0.833 175.993 177.300 -0.791 0.000 1.256 80 P CA -0.026 62.752 63.100 -0.536 0.000 0.795 80 P CB 0.921 32.345 31.700 -0.461 0.000 1.038 81 H N -1.226 117.641 119.070 -0.338 0.000 2.771 81 H HA 0.307 4.863 4.556 -0.000 0.000 0.367 81 H C -0.012 175.097 175.328 -0.365 0.000 1.172 81 H CA -0.330 55.529 56.048 -0.314 0.000 1.186 81 H CB 0.282 29.959 29.762 -0.141 0.000 1.790 81 H HN 0.336 nan 8.280 nan 0.000 0.556 82 Y N 1.771 121.984 120.300 -0.145 0.000 2.457 82 Y HA 0.048 4.598 4.550 -0.000 0.000 0.341 82 Y C -1.474 174.270 175.900 -0.260 0.000 1.240 82 Y CA -2.031 55.927 58.100 -0.237 0.000 1.437 82 Y CB 0.036 38.398 38.460 -0.163 0.000 1.328 82 Y HN 0.321 nan 8.280 nan 0.000 0.588 83 P HA 0.084 nan 4.420 nan 0.000 0.225 83 P C -0.829 176.314 177.300 -0.262 0.000 1.813 83 P CA -0.091 62.884 63.100 -0.208 0.000 1.013 83 P CB -0.172 31.342 31.700 -0.310 0.000 1.961 84 L N 2.458 123.528 121.223 -0.256 0.000 2.371 84 L HA 0.232 4.571 4.340 -0.000 0.000 0.272 84 L C 0.872 177.614 176.870 -0.213 0.000 1.124 84 L CA 0.125 54.704 54.840 -0.435 0.000 0.816 84 L CB -0.141 41.671 42.059 -0.412 0.000 1.129 84 L HN 0.133 nan 8.230 nan 0.000 0.448 85 N N 4.725 123.319 118.700 -0.176 0.000 2.415 85 N HA 0.291 5.031 4.740 -0.000 0.000 0.246 85 N C -0.517 175.071 175.510 0.131 0.000 1.078 85 N CA 0.006 53.054 53.050 -0.003 0.000 0.942 85 N CB 0.900 39.378 38.487 -0.014 0.000 1.140 85 N HN 0.408 nan 8.380 nan 0.000 0.501 86 I N 3.607 124.237 120.570 0.100 0.000 2.354 86 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 86 I C 0.197 176.366 176.117 0.087 0.000 1.007 86 I CA -0.560 60.823 61.300 0.139 0.000 1.167 86 I CB 1.011 39.111 38.000 0.168 0.000 1.320 86 I HN 0.141 nan 8.210 nan 0.000 0.458 87 L N 5.649 126.913 121.223 0.069 0.000 2.418 87 L HA 0.297 4.637 4.340 -0.000 0.000 0.265 87 L C 1.115 178.030 176.870 0.074 0.000 1.143 87 L CA -0.551 54.320 54.840 0.052 0.000 0.809 87 L CB 0.649 42.724 42.059 0.026 0.000 1.124 87 L HN 0.581 nan 8.230 nan 0.000 0.456 88 Q N 1.105 120.941 119.800 0.059 0.000 2.391 88 Q HA -0.024 4.316 4.340 -0.000 0.000 0.211 88 Q C 0.434 176.473 176.000 0.064 0.000 0.908 88 Q CA 0.602 56.443 55.803 0.064 0.000 0.920 88 Q CB 0.272 29.037 28.738 0.044 0.000 1.056 88 Q HN 0.780 nan 8.270 nan 0.000 0.523 89 D N -0.702 119.727 120.400 0.049 0.000 2.501 89 D HA 0.062 4.702 4.640 -0.000 0.000 0.226 89 D C 0.123 176.444 176.300 0.034 0.000 1.198 89 D CA -0.376 53.648 54.000 0.040 0.000 0.830 89 D CB -0.058 40.757 40.800 0.025 0.000 1.014 89 D HN -0.238 nan 8.370 nan 0.000 0.496 90 V N 1.041 120.982 119.914 0.045 0.000 2.617 90 V HA -0.075 4.045 4.120 -0.000 0.000 0.304 90 V C 1.021 177.129 176.094 0.022 0.000 1.040 90 V CA -0.211 62.106 62.300 0.028 0.000 1.149 90 V CB 0.284 32.130 31.823 0.038 0.000 0.914 90 V HN 0.166 nan 8.190 nan 0.000 0.487 91 K N 4.686 125.081 120.400 -0.008 0.000 2.382 91 K HA 0.335 4.655 4.320 -0.000 0.000 0.286 91 K C -0.406 176.155 176.600 -0.066 0.000 1.062 91 K CA -0.234 56.037 56.287 -0.027 0.000 1.000 91 K CB 0.412 32.891 32.500 -0.036 0.000 0.954 91 K HN 0.687 nan 8.250 nan 0.000 0.470 92 V N 0.361 120.229 119.914 -0.077 0.000 3.046 92 V HA 0.630 4.750 4.120 -0.000 0.000 0.316 92 V C -0.502 175.477 176.094 -0.192 0.000 1.104 92 V CA -0.824 61.353 62.300 -0.205 0.000 1.006 92 V CB 1.844 33.535 31.823 -0.220 0.000 1.058 92 V HN 0.667 nan 8.190 nan 0.000 0.440 93 T N 2.583 116.952 114.554 -0.308 0.000 2.861 93 T HA 0.728 5.078 4.350 -0.000 0.000 0.287 93 T C -0.954 173.621 174.700 -0.209 0.000 1.003 93 T CA -0.473 61.508 62.100 -0.197 0.000 0.977 93 T CB 0.791 69.564 68.868 -0.158 0.000 0.996 93 T HN 0.697 nan 8.240 nan 0.000 0.448 94 I N 4.884 125.419 120.570 -0.058 0.000 2.410 94 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 94 I C -0.195 175.928 176.117 0.009 0.000 1.009 94 I CA -0.847 60.470 61.300 0.028 0.000 1.111 94 I CB 1.795 39.877 38.000 0.136 0.000 1.262 94 I HN 0.692 nan 8.210 nan 0.000 0.443 95 E N 4.917 125.114 120.200 -0.005 0.000 2.165 95 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 95 E C -1.034 175.574 176.600 0.013 0.000 0.889 95 E CA -0.868 55.532 56.400 0.000 0.000 0.756 95 E CB 1.871 31.564 29.700 -0.012 0.000 1.131 95 E HN 0.408 nan 8.360 nan 0.000 0.411 96 N N 3.139 121.851 118.700 0.019 0.000 2.558 96 N HA 0.192 4.932 4.740 -0.000 0.000 0.242 96 N C -1.281 174.237 175.510 0.012 0.000 0.979 96 N CA -0.190 52.873 53.050 0.021 0.000 0.931 96 N CB 1.379 39.883 38.487 0.029 0.000 1.122 96 N HN 0.714 nan 8.380 nan 0.000 0.508 97 T N -0.290 114.271 114.554 0.011 0.000 2.883 97 T HA 0.361 4.711 4.350 -0.000 0.000 0.284 97 T C 1.031 175.709 174.700 -0.037 0.000 1.041 97 T CA -0.454 61.640 62.100 -0.011 0.000 1.007 97 T CB 1.306 70.167 68.868 -0.011 0.000 1.220 97 T HN 0.200 nan 8.240 nan 0.000 0.552 98 E N 0.115 120.279 120.200 -0.061 0.000 2.085 98 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 98 E C 2.177 178.705 176.600 -0.119 0.000 0.994 98 E CA 1.489 57.844 56.400 -0.076 0.000 0.801 98 E CB -0.077 29.579 29.700 -0.074 0.000 0.743 98 E HN 0.635 nan 8.360 nan 0.000 0.453 99 R N -1.868 118.502 120.500 -0.217 0.000 2.156 99 R HA 0.106 4.446 4.340 -0.000 0.000 0.207 99 R C -0.191 175.855 176.300 -0.422 0.000 1.040 99 R CA 0.459 56.300 56.100 -0.431 0.000 1.013 99 R CB 0.336 30.189 30.300 -0.745 0.000 0.931 99 R HN 0.160 nan 8.270 nan 0.000 0.465 100 Y N -1.357 118.903 120.300 -0.067 0.000 2.544 100 Y HA 0.538 5.088 4.550 -0.000 0.000 0.342 100 Y C -0.917 174.922 175.900 -0.103 0.000 1.062 100 Y CA -1.533 56.503 58.100 -0.107 0.000 1.023 100 Y CB 2.171 40.562 38.460 -0.115 0.000 1.308 100 Y HN -0.071 nan 8.280 nan 0.000 0.457 101 A N 2.229 125.071 122.820 0.037 0.000 2.303 101 A HA 0.629 4.949 4.320 -0.000 0.000 0.320 101 A C -1.073 176.425 177.584 -0.143 0.000 1.192 101 A CA -0.526 51.488 52.037 -0.038 0.000 0.821 101 A CB 1.141 20.114 19.000 -0.046 0.000 1.188 101 A HN 0.756 nan 8.150 nan 0.000 0.492 102 E N 2.140 122.276 120.200 -0.107 0.000 2.246 102 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 102 E C -2.017 174.537 176.600 -0.078 0.000 0.880 102 E CA -0.461 55.843 56.400 -0.160 0.000 0.762 102 E CB 1.274 30.878 29.700 -0.161 0.000 1.180 102 E HN 0.549 nan 8.360 nan 0.000 0.416 103 F N 4.432 124.227 119.950 -0.258 0.000 2.467 103 F HA 0.502 5.029 4.527 -0.000 0.000 0.336 103 F C -1.079 174.657 175.800 -0.106 0.000 1.123 103 F CA -0.608 57.301 58.000 -0.151 0.000 0.964 103 F CB 1.117 40.034 39.000 -0.137 0.000 1.136 103 F HN 0.283 nan 8.300 nan 0.000 0.447 104 K N 4.267 124.216 120.400 -0.752 0.000 2.397 104 K HA 0.559 4.879 4.320 -0.000 0.000 0.253 104 K C -1.511 174.726 176.600 -0.604 0.000 0.932 104 K CA -0.666 55.319 56.287 -0.503 0.000 0.795 104 K CB 1.816 34.145 32.500 -0.284 0.000 1.159 104 K HN 0.613 nan 8.250 nan 0.000 0.424 105 S N 2.867 118.367 115.700 -0.333 0.000 2.707 105 S HA 0.598 5.068 4.470 -0.000 0.000 0.303 105 S C 0.306 174.838 174.600 -0.114 0.000 1.132 105 S CA 0.475 58.552 58.200 -0.205 0.000 1.046 105 S CB 0.863 64.003 63.200 -0.101 0.000 1.004 105 S HN 1.036 nan 8.310 nan 0.000 0.483 106 G N 5.510 114.248 108.800 -0.103 0.000 2.629 106 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.313 106 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.313 106 G C 0.625 175.483 174.900 -0.070 0.000 1.217 106 G CA 0.614 45.670 45.100 -0.073 0.000 0.994 106 G HN 0.685 nan 8.290 nan 0.000 0.549 107 N N 0.293 118.963 118.700 -0.050 0.000 2.422 107 N HA 0.160 4.900 4.740 -0.000 0.000 0.181 107 N C 0.619 176.107 175.510 -0.036 0.000 1.080 107 N CA 0.552 53.577 53.050 -0.041 0.000 0.893 107 N CB 0.090 38.561 38.487 -0.026 0.000 0.973 107 N HN 0.446 nan 8.380 nan 0.000 0.456 108 L N 0.966 122.170 121.223 -0.031 0.000 2.295 108 L HA 0.402 4.742 4.340 -0.000 0.000 0.285 108 L C -0.024 176.841 176.870 -0.008 0.000 1.035 108 L CA -0.445 54.396 54.840 0.001 0.000 0.806 108 L CB 1.351 43.428 42.059 0.030 0.000 1.214 108 L HN 0.013 nan 8.230 nan 0.000 0.426 109 S N 3.716 119.421 115.700 0.009 0.000 2.570 109 S HA 0.955 5.424 4.470 -0.000 0.000 0.286 109 S C -0.776 173.839 174.600 0.026 0.000 1.099 109 S CA -0.418 57.772 58.200 -0.017 0.000 0.913 109 S CB 1.660 64.791 63.200 -0.115 0.000 1.085 109 S HN 1.026 nan 8.310 nan 0.000 0.480 110 A N 1.906 124.713 122.820 -0.022 0.000 2.304 110 A HA 0.809 5.129 4.320 -0.000 0.000 0.323 110 A C -0.109 177.179 177.584 -0.493 0.000 1.195 110 A CA -0.826 51.017 52.037 -0.325 0.000 0.826 110 A CB 0.802 19.636 19.000 -0.277 0.000 1.184 110 A HN 0.873 nan 8.150 nan 0.000 0.496 111 R N 2.638 122.798 120.500 -0.566 0.000 2.476 111 R HA 0.572 4.912 4.340 -0.000 0.000 0.305 111 R C -1.851 174.120 176.300 -0.549 0.000 0.965 111 R CA -0.349 55.435 56.100 -0.527 0.000 0.867 111 R CB 1.634 31.615 30.300 -0.532 0.000 1.176 111 R HN 0.497 nan 8.270 nan 0.000 0.447 112 V N 3.187 122.810 119.914 -0.485 0.000 2.394 112 V HA 0.284 4.404 4.120 -0.000 0.000 0.282 112 V C -0.013 175.924 176.094 -0.261 0.000 1.031 112 V CA -0.610 61.389 62.300 -0.501 0.000 0.881 112 V CB 1.739 33.275 31.823 -0.480 0.000 0.982 112 V HN 0.768 nan 8.190 nan 0.000 0.451 113 S N 5.068 120.605 115.700 -0.272 0.000 2.474 113 S HA 0.346 4.816 4.470 -0.000 0.000 0.276 113 S C 0.143 174.723 174.600 -0.033 0.000 1.227 113 S CA -0.630 57.579 58.200 0.015 0.000 1.050 113 S CB 0.410 63.635 63.200 0.042 0.000 0.939 113 S HN 0.639 nan 8.310 nan 0.000 0.490 114 K N 1.679 122.091 120.400 0.019 0.000 2.118 114 K HA 0.599 4.919 4.320 -0.000 0.000 0.240 114 K C 1.074 177.708 176.600 0.057 0.000 1.035 114 K CA 0.044 56.357 56.287 0.043 0.000 0.899 114 K CB 0.278 32.782 32.500 0.008 0.000 1.085 114 K HN 0.828 nan 8.250 nan 0.000 0.498 115 G N 0.726 109.566 108.800 0.065 0.000 2.527 115 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.227 115 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.227 115 G C 0.604 175.510 174.900 0.012 0.000 1.291 115 G CA 0.373 45.492 45.100 0.033 0.000 0.904 115 G HN 0.766 nan 8.290 nan 0.000 0.577 116 E N -0.717 119.413 120.200 -0.116 0.000 2.208 116 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 116 E C 0.353 176.688 176.600 -0.443 0.000 0.988 116 E CA 0.746 56.918 56.400 -0.381 0.000 0.828 116 E CB -0.048 29.230 29.700 -0.702 0.000 0.763 116 E HN 0.319 nan 8.360 nan 0.000 0.478 117 F N 1.182 121.191 119.950 0.098 0.000 2.363 117 F HA 0.213 4.740 4.527 -0.000 0.000 0.366 117 F C -0.093 175.794 175.800 0.145 0.000 1.083 117 F CA -1.061 57.006 58.000 0.111 0.000 1.176 117 F CB 0.266 39.304 39.000 0.063 0.000 1.432 117 F HN 0.077 nan 8.300 nan 0.000 0.482 118 W N 3.120 124.507 121.300 0.144 0.000 2.231 118 W HA 0.337 4.997 4.660 -0.000 0.000 0.341 118 W C -0.532 176.038 176.519 0.085 0.000 1.298 118 W CA 0.698 58.100 57.345 0.095 0.000 1.266 118 W CB 1.191 30.685 29.460 0.057 0.000 1.172 118 W HN 0.424 nan 8.180 nan 0.000 0.568 119 S N 6.265 121.579 115.700 -0.644 0.000 2.542 119 S HA 0.456 4.926 4.470 -0.000 0.000 0.276 119 S C -1.728 172.429 174.600 -0.737 0.000 1.148 119 S CA -0.844 57.078 58.200 -0.464 0.000 0.886 119 S CB 0.958 64.043 63.200 -0.192 0.000 1.109 119 S HN 0.518 nan 8.310 nan 0.000 0.458 120 L N 4.152 125.111 121.223 -0.441 0.000 2.319 120 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 120 L C -1.451 175.177 176.870 -0.403 0.000 1.005 120 L CA -0.400 54.185 54.840 -0.424 0.000 0.828 120 L CB 1.002 42.962 42.059 -0.165 0.000 1.227 120 L HN 0.695 nan 8.230 nan 0.000 0.415 121 D N 4.869 124.960 120.400 -0.515 0.000 2.362 121 D HA 0.358 4.998 4.640 -0.000 0.000 0.247 121 D C -1.014 174.938 176.300 -0.579 0.000 1.050 121 D CA -0.136 53.611 54.000 -0.423 0.000 0.839 121 D CB 2.250 42.869 40.800 -0.301 0.000 1.283 121 D HN 0.165 nan 8.370 nan 0.000 0.477 122 F N 1.436 121.320 119.950 -0.110 0.000 2.404 122 F HA 0.308 4.835 4.527 -0.000 0.000 0.354 122 F C -0.102 175.618 175.800 -0.133 0.000 1.122 122 F CA -0.737 57.197 58.000 -0.111 0.000 1.080 122 F CB 0.982 39.916 39.000 -0.110 0.000 1.131 122 F HN -0.029 nan 8.300 nan 0.000 0.471 123 L N 3.818 125.054 121.223 0.022 0.000 2.362 123 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 123 L C -0.224 176.639 176.870 -0.012 0.000 1.002 123 L CA -0.906 53.913 54.840 -0.035 0.000 0.818 123 L CB 1.859 43.857 42.059 -0.102 0.000 1.298 123 L HN 0.576 nan 8.230 nan 0.000 0.420 124 R N 2.309 122.801 120.500 -0.014 0.000 2.288 124 R HA 0.292 4.632 4.340 -0.000 0.000 0.326 124 R C -0.226 176.061 176.300 -0.021 0.000 0.959 124 R CA -0.385 55.711 56.100 -0.008 0.000 0.834 124 R CB 0.277 30.584 30.300 0.013 0.000 1.157 124 R HN 0.733 nan 8.270 nan 0.000 0.470 125 N N 2.832 121.514 118.700 -0.031 0.000 2.698 125 N HA -0.270 4.470 4.740 -0.000 0.000 0.258 125 N C 0.639 176.122 175.510 -0.044 0.000 0.978 125 N CA 0.971 53.998 53.050 -0.038 0.000 0.777 125 N CB -0.558 37.912 38.487 -0.029 0.000 0.907 125 N HN 1.081 nan 8.380 nan 0.000 0.543 126 G N -1.143 107.621 108.800 -0.060 0.000 2.179 126 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 126 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 126 G C -0.181 174.680 174.900 -0.065 0.000 0.977 126 G CA 0.511 45.567 45.100 -0.073 0.000 0.641 126 G HN 0.560 nan 8.290 nan 0.000 0.533 127 E N 0.328 120.500 120.200 -0.046 0.000 2.197 127 E HA 0.382 4.732 4.350 -0.000 0.000 0.281 127 E C 0.455 177.033 176.600 -0.037 0.000 0.995 127 E CA -0.882 55.497 56.400 -0.036 0.000 0.808 127 E CB 1.247 30.937 29.700 -0.016 0.000 1.093 127 E HN 0.313 nan 8.360 nan 0.000 0.394 128 R N 3.447 123.921 120.500 -0.043 0.000 2.446 128 R HA 0.003 4.343 4.340 -0.000 0.000 0.314 128 R C 1.063 177.357 176.300 -0.010 0.000 1.003 128 R CA 0.230 56.307 56.100 -0.039 0.000 1.018 128 R CB 0.082 30.353 30.300 -0.048 0.000 0.945 128 R HN 0.624 nan 8.270 nan 0.000 0.419 129 I N -0.177 120.382 120.570 -0.017 0.000 3.526 129 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 129 I C 0.718 176.785 176.117 -0.082 0.000 1.229 129 I CA -0.171 61.116 61.300 -0.021 0.000 1.408 129 I CB 0.642 38.619 38.000 -0.039 0.000 1.127 129 I HN 0.520 nan 8.210 nan 0.000 0.439 130 T N -0.968 113.533 114.554 -0.088 0.000 2.661 130 T HA 0.678 5.028 4.350 -0.000 0.000 0.303 130 T C -0.987 173.791 174.700 0.130 0.000 1.658 130 T CA 0.038 62.126 62.100 -0.020 0.000 0.974 130 T CB 1.157 69.909 68.868 -0.193 0.000 1.857 130 T HN 0.670 nan 8.240 nan 0.000 0.475 131 G N 0.394 109.319 108.800 0.208 0.000 2.324 131 G HA2 0.450 4.410 3.960 -0.000 0.000 0.293 131 G HA3 0.450 4.410 3.960 -0.000 0.000 0.293 131 G C -1.438 173.561 174.900 0.164 0.000 1.297 131 G CA 0.309 45.550 45.100 0.234 0.000 0.853 131 G HN 0.984 nan 8.290 nan 0.000 0.535 132 S N -0.378 115.390 115.700 0.112 0.000 2.530 132 S HA 0.573 5.043 4.470 -0.000 0.000 0.322 132 S C -0.004 174.648 174.600 0.086 0.000 1.085 132 S CA -0.367 57.894 58.200 0.101 0.000 1.096 132 S CB 0.940 64.231 63.200 0.152 0.000 0.988 132 S HN 0.553 nan 8.310 nan 0.000 0.466 133 Q N 1.865 121.704 119.800 0.065 0.000 2.312 133 Q HA 0.332 4.671 4.340 -0.000 0.000 0.236 133 Q C 0.019 176.092 176.000 0.122 0.000 0.965 133 Q CA -0.472 55.380 55.803 0.081 0.000 0.894 133 Q CB 1.206 29.965 28.738 0.035 0.000 1.225 133 Q HN 0.591 nan 8.270 nan 0.000 0.478 134 V N 2.822 122.851 119.914 0.192 0.000 2.788 134 V HA -0.136 3.983 4.120 -0.000 0.000 0.307 134 V C 0.242 176.282 176.094 -0.091 0.000 1.069 134 V CA 1.034 63.431 62.300 0.160 0.000 1.173 134 V CB -0.197 31.758 31.823 0.218 0.000 0.925 134 V HN 0.870 nan 8.190 nan 0.000 0.492 135 K N 3.106 123.326 120.400 -0.300 0.000 3.472 135 K HA -0.176 4.144 4.320 -0.000 0.000 0.315 135 K C 0.580 176.912 176.600 -0.447 0.000 1.320 135 K CA 1.204 57.053 56.287 -0.731 0.000 0.962 135 K CB -1.352 30.773 32.500 -0.625 0.000 1.251 135 K HN 0.824 nan 8.250 nan 0.000 0.443 136 N N 1.232 119.809 118.700 -0.205 0.000 2.268 136 N HA 0.008 4.748 4.740 -0.000 0.000 0.204 136 N C -0.208 175.083 175.510 -0.365 0.000 1.124 136 N CA 0.403 53.402 53.050 -0.085 0.000 0.838 136 N CB 0.222 38.687 38.487 -0.037 0.000 0.994 136 N HN 0.489 nan 8.380 nan 0.000 0.489 137 N N -0.952 117.392 118.700 -0.593 0.000 2.774 137 N HA 0.701 5.441 4.740 -0.000 0.000 0.264 137 N C 0.179 175.135 175.510 -0.923 0.000 1.415 137 N CA -0.416 51.968 53.050 -1.110 0.000 0.815 137 N CB 1.426 39.577 38.487 -0.559 0.000 1.514 137 N HN -0.023 nan 8.380 nan 0.000 0.523 138 G N -1.646 106.622 108.800 -0.887 0.000 2.260 138 G HA2 0.152 4.112 3.960 -0.000 0.000 0.250 138 G HA3 0.152 4.112 3.960 -0.000 0.000 0.250 138 G C -2.351 172.616 174.900 0.111 0.000 1.340 138 G CA -0.721 44.102 45.100 -0.462 0.000 1.056 138 G HN 0.755 nan 8.290 nan 0.000 0.471 139 Y N 0.206 120.605 120.300 0.166 0.000 2.376 139 Y HA 0.671 5.221 4.550 -0.000 0.000 0.340 139 Y C -0.227 175.721 175.900 0.080 0.000 0.965 139 Y CA -1.008 57.164 58.100 0.120 0.000 1.078 139 Y CB 2.189 40.605 38.460 -0.074 0.000 1.193 139 Y HN 0.534 nan 8.280 nan 0.000 0.452 140 V N 6.517 126.282 119.914 -0.249 0.000 2.409 140 V HA 0.320 4.439 4.120 -0.000 0.000 0.291 140 V C -0.597 175.223 176.094 -0.456 0.000 1.020 140 V CA -0.869 61.289 62.300 -0.237 0.000 0.848 140 V CB 1.440 33.187 31.823 -0.126 0.000 0.990 140 V HN 0.742 nan 8.190 nan 0.000 0.430 141 Q N 3.605 123.196 119.800 -0.349 0.000 2.398 141 Q HA 0.232 4.572 4.340 -0.000 0.000 0.251 141 Q C -0.855 175.078 176.000 -0.113 0.000 0.999 141 Q CA -0.575 55.064 55.803 -0.274 0.000 0.874 141 Q CB 1.216 29.851 28.738 -0.170 0.000 1.215 141 Q HN 0.767 nan 8.270 nan 0.000 0.470 142 D N 3.566 123.939 120.400 -0.045 0.000 2.374 142 D HA 0.006 4.646 4.640 -0.000 0.000 0.240 142 D C 0.945 177.238 176.300 -0.012 0.000 1.229 142 D CA 0.049 54.050 54.000 0.001 0.000 0.895 142 D CB 1.271 42.143 40.800 0.120 0.000 1.046 142 D HN 0.706 nan 8.370 nan 0.000 0.498 143 T N 0.794 115.335 114.554 -0.020 0.000 3.113 143 T HA -0.024 4.326 4.350 -0.000 0.000 0.256 143 T C 1.126 175.822 174.700 -0.007 0.000 1.131 143 T CA 0.232 62.325 62.100 -0.012 0.000 1.074 143 T CB 0.077 68.940 68.868 -0.010 0.000 0.944 143 T HN 0.222 nan 8.240 nan 0.000 0.516 144 N N 2.893 121.587 118.700 -0.009 0.000 2.290 144 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 144 N C 1.310 176.819 175.510 -0.000 0.000 1.016 144 N CA 1.351 54.397 53.050 -0.007 0.000 0.871 144 N CB -0.213 38.265 38.487 -0.014 0.000 0.987 144 N HN 0.718 nan 8.380 nan 0.000 0.431 145 N N 0.570 119.274 118.700 0.007 0.000 2.171 145 N HA -0.050 4.690 4.740 -0.000 0.000 0.212 145 N C -0.309 175.200 175.510 -0.001 0.000 1.184 145 N CA 0.128 53.182 53.050 0.008 0.000 0.888 145 N CB 0.011 38.510 38.487 0.020 0.000 1.038 145 N HN -0.083 nan 8.380 nan 0.000 0.517 146 Q N -0.650 119.147 119.800 -0.004 0.000 2.461 146 Q HA -0.265 4.075 4.340 -0.000 0.000 0.273 146 Q C -0.933 175.037 176.000 -0.049 0.000 1.163 146 Q CA 1.026 56.819 55.803 -0.016 0.000 0.929 146 Q CB -2.756 25.981 28.738 -0.002 0.000 1.334 146 Q HN 0.614 nan 8.270 nan 0.000 0.499 147 R N 0.740 121.197 120.500 -0.072 0.000 2.486 147 R HA 0.559 4.899 4.340 -0.000 0.000 0.286 147 R C 0.061 176.150 176.300 -0.351 0.000 0.999 147 R CA -0.698 55.268 56.100 -0.224 0.000 0.993 147 R CB 0.827 30.979 30.300 -0.247 0.000 1.084 147 R HN 0.145 nan 8.270 nan 0.000 0.487 148 N N 1.538 119.902 118.700 -0.561 0.000 2.269 148 N HA 0.377 5.117 4.740 -0.000 0.000 0.304 148 N C -1.358 173.706 175.510 -0.744 0.000 1.072 148 N CA -0.440 52.274 53.050 -0.560 0.000 0.802 148 N CB 1.876 40.159 38.487 -0.340 0.000 1.348 148 N HN 0.403 nan 8.380 nan 0.000 0.484 149 Y N 0.015 120.107 120.300 -0.347 0.000 2.581 149 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 149 Y C -0.015 175.842 175.900 -0.071 0.000 1.036 149 Y CA -1.030 56.966 58.100 -0.173 0.000 1.042 149 Y CB 1.730 40.095 38.460 -0.157 0.000 1.289 149 Y HN 0.145 nan 8.280 nan 0.000 0.471 150 M N 3.025 122.736 119.600 0.185 0.000 2.456 150 M HA 0.476 4.956 4.480 -0.000 0.000 0.324 150 M C -1.099 175.334 176.300 0.222 0.000 1.124 150 M CA -0.791 54.639 55.300 0.217 0.000 0.959 150 M CB 1.463 34.158 32.600 0.158 0.000 1.692 150 M HN 0.711 nan 8.290 nan 0.000 0.444 151 F N 0.349 120.289 119.950 -0.016 0.000 2.643 151 F HA 0.901 5.428 4.527 -0.000 0.000 0.314 151 F C -1.164 174.519 175.800 -0.195 0.000 1.096 151 F CA -0.918 57.008 58.000 -0.124 0.000 0.953 151 F CB 1.626 40.534 39.000 -0.154 0.000 1.345 151 F HN 0.541 nan 8.300 nan 0.000 0.468 152 E N 0.765 120.682 120.200 -0.473 0.000 2.390 152 E HA 0.576 4.926 4.350 -0.000 0.000 0.277 152 E C -1.864 174.361 176.600 -0.625 0.000 0.939 152 E CA -0.767 55.214 56.400 -0.698 0.000 0.769 152 E CB 2.053 31.256 29.700 -0.828 0.000 1.251 152 E HN 0.747 nan 8.360 nan 0.000 0.450 153 R N 2.981 123.255 120.500 -0.376 0.000 2.483 153 R HA 0.504 4.844 4.340 -0.000 0.000 0.303 153 R C -0.703 175.527 176.300 -0.116 0.000 0.987 153 R CA -0.681 55.283 56.100 -0.225 0.000 0.881 153 R CB 1.194 31.459 30.300 -0.059 0.000 1.177 153 R HN 0.383 nan 8.270 nan 0.000 0.451 154 L N 2.805 124.004 121.223 -0.039 0.000 2.295 154 L HA 0.330 4.670 4.340 -0.000 0.000 0.285 154 L C -0.063 176.880 176.870 0.121 0.000 1.035 154 L CA -0.970 53.932 54.840 0.103 0.000 0.806 154 L CB 1.367 43.561 42.059 0.224 0.000 1.214 154 L HN 0.438 nan 8.230 nan 0.000 0.426 155 D N 3.107 123.573 120.400 0.110 0.000 2.400 155 D HA 0.316 4.956 4.640 -0.000 0.000 0.238 155 D C -0.296 176.077 176.300 0.123 0.000 1.157 155 D CA 0.391 54.442 54.000 0.086 0.000 0.889 155 D CB 1.033 41.871 40.800 0.064 0.000 1.199 155 D HN 0.213 nan 8.370 nan 0.000 0.436 156 L N 1.074 122.346 121.223 0.082 0.000 2.362 156 L HA 0.494 4.834 4.340 -0.000 0.000 0.275 156 L C 1.045 177.951 176.870 0.061 0.000 0.998 156 L CA -0.818 54.075 54.840 0.087 0.000 0.820 156 L CB 2.033 44.116 42.059 0.040 0.000 1.270 156 L HN 0.321 nan 8.230 nan 0.000 0.415 157 G N 1.726 110.570 108.800 0.074 0.000 2.588 157 G HA2 0.416 4.376 3.960 -0.000 0.000 0.281 157 G HA3 0.416 4.376 3.960 -0.000 0.000 0.281 157 G C -0.166 174.754 174.900 0.034 0.000 1.236 157 G CA -0.582 44.548 45.100 0.051 0.000 0.969 157 G HN 0.293 nan 8.290 nan 0.000 0.504 158 V N 0.830 120.759 119.914 0.026 0.000 2.557 158 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 158 V C 1.679 177.788 176.094 0.025 0.000 1.026 158 V CA 1.675 63.987 62.300 0.021 0.000 1.137 158 V CB 0.320 32.153 31.823 0.016 0.000 0.917 158 V HN 1.791 nan 8.190 nan 0.000 0.484 159 G N 3.545 112.360 108.800 0.025 0.000 2.166 159 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 159 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 159 G C 0.188 175.097 174.900 0.014 0.000 0.986 159 G CA 0.483 45.601 45.100 0.030 0.000 0.683 159 G HN 0.840 nan 8.290 nan 0.000 0.527 160 E N 1.433 121.639 120.200 0.010 0.000 2.194 160 E HA 0.503 4.852 4.350 -0.000 0.000 0.284 160 E C 0.752 177.318 176.600 -0.056 0.000 1.035 160 E CA 0.181 56.581 56.400 0.001 0.000 0.836 160 E CB 0.420 30.145 29.700 0.041 0.000 1.070 160 E HN 0.381 nan 8.360 nan 0.000 0.401 161 T N 0.250 114.740 114.554 -0.107 0.000 2.940 161 T HA 0.592 4.941 4.350 -0.000 0.000 0.288 161 T C -0.197 174.291 174.700 -0.355 0.000 1.033 161 T CA -0.871 61.062 62.100 -0.280 0.000 1.033 161 T CB 1.660 70.255 68.868 -0.455 0.000 1.079 161 T HN 0.155 nan 8.240 nan 0.000 0.496 162 V N 1.664 121.232 119.914 -0.577 0.000 2.680 162 V HA 0.628 4.747 4.120 -0.000 0.000 0.309 162 V C -1.337 174.309 176.094 -0.746 0.000 1.052 162 V CA -0.852 61.173 62.300 -0.458 0.000 0.908 162 V CB 1.260 32.851 31.823 -0.386 0.000 1.001 162 V HN 0.956 nan 8.190 nan 0.000 0.431 163 Y N 1.158 121.349 120.300 -0.183 0.000 2.638 163 Y HA 0.859 5.409 4.550 -0.000 0.000 0.339 163 Y C 0.813 176.593 175.900 -0.199 0.000 1.084 163 Y CA 0.228 58.217 58.100 -0.185 0.000 1.068 163 Y CB 2.176 40.534 38.460 -0.170 0.000 1.294 163 Y HN 0.986 nan 8.280 nan 0.000 0.480 164 G N -0.002 108.789 108.800 -0.016 0.000 2.513 164 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.227 164 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.227 164 G C -0.061 174.749 174.900 -0.150 0.000 1.176 164 G CA -0.192 44.862 45.100 -0.076 0.000 0.967 164 G HN 1.206 nan 8.290 nan 0.000 0.587 165 L N -0.080 121.045 121.223 -0.163 0.000 4.696 165 L HA -0.001 4.339 4.340 -0.000 0.000 0.425 165 L C 1.461 178.248 176.870 -0.138 0.000 1.115 165 L CA 1.689 56.398 54.840 -0.219 0.000 0.996 165 L CB -1.704 40.134 42.059 -0.370 0.000 2.077 165 L HN 2.883 nan 8.230 nan 0.000 0.792 166 G N -0.115 108.614 108.800 -0.119 0.000 2.409 166 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.421 166 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.421 166 G C -0.610 174.123 174.900 -0.277 0.000 1.259 166 G CA 0.008 45.010 45.100 -0.162 0.000 1.011 166 G HN 0.299 nan 8.290 nan 0.000 0.497 167 E N 1.078 121.063 120.200 -0.359 0.000 1.941 167 E HA 0.444 4.793 4.350 -0.000 0.000 0.275 167 E C 0.470 176.667 176.600 -0.672 0.000 1.113 167 E CA -0.301 55.803 56.400 -0.493 0.000 0.878 167 E CB -0.013 29.442 29.700 -0.410 0.000 1.070 167 E HN 0.504 nan 8.360 nan 0.000 0.399 168 R N 3.315 123.415 120.500 -0.667 0.000 2.854 168 R HA 0.378 4.718 4.340 -0.000 0.000 0.271 168 R C -0.292 175.603 176.300 -0.675 0.000 0.996 168 R CA -0.758 54.963 56.100 -0.632 0.000 0.961 168 R CB 0.768 30.901 30.300 -0.279 0.000 1.182 168 R HN 0.416 nan 8.270 nan 0.000 0.479 169 F N -0.281 119.656 119.950 -0.022 0.000 2.682 169 F HA 0.081 4.608 4.527 -0.000 0.000 0.308 169 F C 1.334 177.130 175.800 -0.007 0.000 1.093 169 F CA -0.424 57.577 58.000 0.002 0.000 1.244 169 F CB 0.417 39.441 39.000 0.041 0.000 1.052 169 F HN 0.530 nan 8.300 nan 0.000 0.573 170 T N -0.875 113.730 114.554 0.084 0.000 2.753 170 T HA 0.579 4.929 4.350 -0.000 0.000 0.309 170 T C 0.825 175.528 174.700 0.005 0.000 1.043 170 T CA -0.504 61.620 62.100 0.040 0.000 0.964 170 T CB 0.444 69.315 68.868 0.005 0.000 1.206 170 T HN 0.169 nan 8.240 nan 0.000 0.528 171 A N 0.304 123.120 122.820 -0.008 0.000 2.587 171 A HA 0.214 4.534 4.320 -0.000 0.000 0.235 171 A C 1.390 178.953 177.584 -0.035 0.000 1.044 171 A CA -0.341 51.689 52.037 -0.013 0.000 0.754 171 A CB -0.663 18.331 19.000 -0.010 0.000 0.968 171 A HN 0.955 nan 8.150 nan 0.000 0.509 172 L N 3.899 125.113 121.223 -0.015 0.000 2.012 172 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 172 L C 1.044 177.852 176.870 -0.103 0.000 1.073 172 L CA 1.817 56.645 54.840 -0.021 0.000 0.748 172 L CB -0.307 41.782 42.059 0.050 0.000 0.891 172 L HN 0.493 nan 8.230 nan 0.000 0.431 173 V N 0.257 120.083 119.914 -0.148 0.000 2.530 173 V HA 0.081 4.201 4.120 -0.000 0.000 0.282 173 V C 1.341 177.273 176.094 -0.270 0.000 1.048 173 V CA -0.127 61.930 62.300 -0.404 0.000 0.997 173 V CB 1.273 32.870 31.823 -0.377 0.000 0.987 173 V HN 0.281 nan 8.190 nan 0.000 0.477 174 R N 2.555 122.842 120.500 -0.354 0.000 2.200 174 R HA 0.085 4.425 4.340 -0.000 0.000 0.208 174 R C 0.490 176.677 176.300 -0.189 0.000 1.033 174 R CA 0.117 56.067 56.100 -0.250 0.000 1.000 174 R CB -0.239 29.884 30.300 -0.296 0.000 0.906 174 R HN 0.767 nan 8.270 nan 0.000 0.462 175 N N 0.385 118.971 118.700 -0.189 0.000 2.223 175 N HA 0.057 4.797 4.740 -0.000 0.000 0.271 175 N C 0.837 176.299 175.510 -0.081 0.000 1.315 175 N CA 1.576 54.551 53.050 -0.124 0.000 0.835 175 N CB 0.414 38.846 38.487 -0.093 0.000 1.066 175 N HN 0.365 nan 8.380 nan 0.000 0.486 176 G N 0.542 109.298 108.800 -0.074 0.000 2.176 176 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.232 176 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.232 176 G C -0.154 174.713 174.900 -0.054 0.000 0.986 176 G CA 0.286 45.352 45.100 -0.057 0.000 0.643 176 G HN 0.817 nan 8.290 nan 0.000 0.522 177 Q N 0.479 120.239 119.800 -0.065 0.000 2.306 177 Q HA 0.728 5.068 4.340 -0.000 0.000 0.265 177 Q C -0.785 175.195 176.000 -0.034 0.000 1.022 177 Q CA -0.552 55.221 55.803 -0.051 0.000 0.853 177 Q CB 1.735 30.441 28.738 -0.054 0.000 1.327 177 Q HN 0.075 nan 8.270 nan 0.000 0.449 178 T N 2.085 116.630 114.554 -0.014 0.000 2.845 178 T HA 0.432 4.782 4.350 -0.000 0.000 0.288 178 T C -0.735 173.985 174.700 0.033 0.000 0.980 178 T CA -0.576 61.533 62.100 0.016 0.000 1.071 178 T CB 1.192 70.063 68.868 0.006 0.000 0.941 178 T HN 0.525 nan 8.240 nan 0.000 0.487 179 V N 2.781 122.748 119.914 0.087 0.000 2.686 179 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 179 V C -1.154 175.072 176.094 0.219 0.000 1.065 179 V CA -0.788 61.573 62.300 0.101 0.000 0.894 179 V CB 2.092 33.917 31.823 0.003 0.000 1.004 179 V HN 0.794 nan 8.190 nan 0.000 0.424 180 E N 3.817 124.129 120.200 0.187 0.000 2.151 180 E HA 0.323 4.673 4.350 -0.000 0.000 0.275 180 E C -0.192 176.589 176.600 0.301 0.000 0.936 180 E CA -0.361 56.179 56.400 0.233 0.000 0.777 180 E CB 1.822 31.607 29.700 0.142 0.000 1.108 180 E HN 0.924 nan 8.360 nan 0.000 0.401 181 T N 1.013 115.800 114.554 0.387 0.000 2.987 181 T HA 0.267 4.617 4.350 -0.000 0.000 0.288 181 T C -0.275 174.736 174.700 0.519 0.000 0.981 181 T CA -0.710 61.628 62.100 0.397 0.000 1.031 181 T CB -0.102 69.018 68.868 0.420 0.000 0.976 181 T HN 0.444 nan 8.240 nan 0.000 0.612 182 W N 4.243 125.667 121.300 0.205 0.000 3.089 182 W HA 0.269 4.929 4.660 -0.000 0.000 0.333 182 W C -1.387 175.308 176.519 0.294 0.000 1.053 182 W CA -0.934 56.554 57.345 0.240 0.000 1.257 182 W CB 1.348 30.876 29.460 0.114 0.000 1.281 182 W HN 0.420 nan 8.180 nan 0.000 0.427 183 N N 5.025 123.812 118.700 0.145 0.000 2.412 183 N HA 0.155 4.895 4.740 -0.000 0.000 0.254 183 N C -0.233 175.390 175.510 0.187 0.000 1.232 183 N CA 0.665 53.785 53.050 0.117 0.000 0.880 183 N CB 0.647 39.122 38.487 -0.020 0.000 1.076 183 N HN 0.364 nan 8.380 nan 0.000 0.458 184 R N 0.295 120.900 120.500 0.175 0.000 2.774 184 R HA 0.240 4.580 4.340 -0.000 0.000 0.272 184 R C -1.245 175.126 176.300 0.120 0.000 1.000 184 R CA -0.830 55.388 56.100 0.196 0.000 0.906 184 R CB 1.486 31.914 30.300 0.213 0.000 1.227 184 R HN 0.371 nan 8.270 nan 0.000 0.468 185 D N 0.704 121.217 120.400 0.189 0.000 2.500 185 D HA 0.242 4.882 4.640 -0.000 0.000 0.219 185 D C 0.178 176.525 176.300 0.079 0.000 1.137 185 D CA 0.042 54.155 54.000 0.189 0.000 0.946 185 D CB 0.795 41.791 40.800 0.325 0.000 1.022 185 D HN 0.752 nan 8.370 nan 0.000 0.518 186 G N 1.537 110.241 108.800 -0.161 0.000 3.528 186 G HA2 0.484 4.444 3.960 -0.000 0.000 0.266 186 G HA3 0.484 4.444 3.960 -0.000 0.000 0.266 186 G C 0.802 175.648 174.900 -0.089 0.000 1.004 186 G CA 0.206 45.263 45.100 -0.072 0.000 0.853 186 G HN 0.817 nan 8.290 nan 0.000 0.501 187 G N 0.210 108.928 108.800 -0.137 0.000 2.698 187 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.233 187 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.233 187 G C 0.852 175.585 174.900 -0.278 0.000 1.352 187 G CA 0.689 45.777 45.100 -0.020 0.000 0.879 187 G HN 1.166 nan 8.290 nan 0.000 0.567 188 T N -3.556 110.803 114.554 -0.325 0.000 3.105 188 T HA 0.509 4.859 4.350 -0.000 0.000 0.253 188 T C 1.501 175.887 174.700 -0.524 0.000 1.047 188 T CA 1.225 62.705 62.100 -1.033 0.000 0.944 188 T CB 0.352 68.673 68.868 -0.911 0.000 1.016 188 T HN 0.899 nan 8.240 nan 0.000 0.544 189 S N 1.494 117.105 115.700 -0.147 0.000 2.578 189 S HA 0.258 4.728 4.470 -0.000 0.000 0.231 189 S C 0.850 175.465 174.600 0.024 0.000 0.994 189 S CA -0.165 58.021 58.200 -0.023 0.000 0.956 189 S CB 0.460 63.649 63.200 -0.019 0.000 0.870 189 S HN 0.876 nan 8.310 nan 0.000 0.494 190 T N -0.538 114.046 114.554 0.050 0.000 2.773 190 T HA 0.379 4.729 4.350 -0.000 0.000 0.278 190 T C 0.762 175.534 174.700 0.120 0.000 1.011 190 T CA -0.632 61.511 62.100 0.072 0.000 1.014 190 T CB 1.180 70.080 68.868 0.053 0.000 1.293 190 T HN -0.022 nan 8.240 nan 0.000 0.554 191 E N 0.082 120.334 120.200 0.086 0.000 2.478 191 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 191 E C 0.264 176.917 176.600 0.089 0.000 1.046 191 E CA 0.477 56.925 56.400 0.080 0.000 0.870 191 E CB -0.146 29.586 29.700 0.053 0.000 0.818 191 E HN 0.708 nan 8.360 nan 0.000 0.527 192 Q N 0.171 120.027 119.800 0.095 0.000 2.317 192 Q HA 0.560 4.900 4.340 -0.000 0.000 0.229 192 Q C -0.656 175.385 176.000 0.068 0.000 0.984 192 Q CA -0.098 55.752 55.803 0.078 0.000 0.911 192 Q CB 1.485 30.254 28.738 0.052 0.000 1.217 192 Q HN 0.270 nan 8.270 nan 0.000 0.501 193 A N 0.536 123.374 122.820 0.031 0.000 2.515 193 A HA 0.431 4.751 4.320 -0.000 0.000 0.298 193 A C -1.113 176.461 177.584 -0.016 0.000 1.059 193 A CA -0.643 51.395 52.037 0.001 0.000 0.698 193 A CB 0.504 19.494 19.000 -0.018 0.000 1.289 193 A HN 0.788 nan 8.150 nan 0.000 0.404 194 Y N 0.690 121.046 120.300 0.093 0.000 2.337 194 Y HA 0.079 4.629 4.550 -0.000 0.000 0.293 194 Y C 0.732 176.619 175.900 -0.022 0.000 1.123 194 Y CA 1.300 59.408 58.100 0.013 0.000 1.201 194 Y CB 0.171 38.588 38.460 -0.072 0.000 1.011 194 Y HN 0.515 nan 8.280 nan 0.000 0.545 195 K N 1.421 121.882 120.400 0.101 0.000 2.592 195 K HA 0.225 4.545 4.320 -0.000 0.000 0.212 195 K C -1.077 175.492 176.600 -0.052 0.000 1.013 195 K CA -0.270 55.997 56.287 -0.033 0.000 1.034 195 K CB 0.559 32.919 32.500 -0.233 0.000 1.292 195 K HN 0.074 nan 8.250 nan 0.000 0.521 196 N N 3.419 122.147 118.700 0.046 0.000 2.479 196 N HA 0.378 5.118 4.740 -0.000 0.000 0.285 196 N C -0.591 174.992 175.510 0.121 0.000 1.075 196 N CA -0.176 52.923 53.050 0.082 0.000 0.967 196 N CB 1.503 40.094 38.487 0.172 0.000 1.137 196 N HN 0.309 nan 8.380 nan 0.000 0.472 197 I N 2.995 123.628 120.570 0.105 0.000 2.534 197 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 197 I C -2.280 173.931 176.117 0.157 0.000 1.094 197 I CA -1.781 59.607 61.300 0.147 0.000 1.055 197 I CB 2.365 40.453 38.000 0.145 0.000 1.225 197 I HN 0.199 nan 8.210 nan 0.000 0.435 198 P HA 0.121 nan 4.420 nan 0.000 0.228 198 P C -0.612 176.878 177.300 0.317 0.000 1.748 198 P CA 0.184 63.517 63.100 0.390 0.000 0.909 198 P CB -0.651 31.428 31.700 0.632 0.000 1.882 199 F N 2.832 122.755 119.950 -0.044 0.000 2.529 199 F HA 0.542 5.069 4.527 -0.000 0.000 0.320 199 F C -1.237 174.451 175.800 -0.186 0.000 1.118 199 F CA -1.424 56.486 58.000 -0.150 0.000 0.915 199 F CB 1.456 40.229 39.000 -0.377 0.000 1.161 199 F HN -0.026 nan 8.300 nan 0.000 0.445 200 Y N 5.092 124.740 120.300 -1.086 0.000 2.570 200 Y HA 0.845 5.395 4.550 -0.000 0.000 0.345 200 Y C -1.227 173.947 175.900 -1.210 0.000 1.014 200 Y CA -1.761 55.767 58.100 -0.953 0.000 1.063 200 Y CB 1.546 39.677 38.460 -0.548 0.000 1.272 200 Y HN 0.731 nan 8.280 nan 0.000 0.477 201 M N 1.378 120.621 119.600 -0.597 0.000 2.691 201 M HA 0.832 5.312 4.480 -0.000 0.000 0.293 201 M C -0.906 175.312 176.300 -0.138 0.000 1.259 201 M CA -0.821 54.197 55.300 -0.471 0.000 0.827 201 M CB 2.423 34.808 32.600 -0.357 0.000 1.753 201 M HN 0.849 nan 8.290 nan 0.000 0.465 202 T N -2.584 111.794 114.554 -0.293 0.000 2.907 202 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 202 T C 0.332 174.972 174.700 -0.101 0.000 1.066 202 T CA -0.681 61.332 62.100 -0.144 0.000 1.012 202 T CB 1.203 69.905 68.868 -0.276 0.000 1.184 202 T HN 0.839 nan 8.240 nan 0.000 0.522 203 N N 0.242 118.961 118.700 0.031 0.000 2.575 203 N HA -0.038 4.701 4.740 -0.000 0.000 0.192 203 N C 1.126 176.625 175.510 -0.017 0.000 1.200 203 N CA 0.120 53.173 53.050 0.006 0.000 0.897 203 N CB -0.414 38.105 38.487 0.053 0.000 0.990 203 N HN 0.693 nan 8.380 nan 0.000 0.449 204 R N -0.096 120.379 120.500 -0.041 0.000 2.317 204 R HA 0.163 4.503 4.340 -0.000 0.000 0.208 204 R C 0.402 176.739 176.300 0.062 0.000 0.914 204 R CA 0.577 56.706 56.100 0.048 0.000 1.060 204 R CB -0.172 30.240 30.300 0.187 0.000 1.015 204 R HN 0.290 nan 8.270 nan 0.000 0.498 205 G N 0.606 109.374 108.800 -0.052 0.000 2.212 205 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.255 205 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.255 205 G C -0.571 174.362 174.900 0.056 0.000 1.062 205 G CA 0.613 45.704 45.100 -0.016 0.000 0.815 205 G HN 0.475 nan 8.290 nan 0.000 0.497 206 Y N -2.289 117.999 120.300 -0.020 0.000 2.615 206 Y HA 0.844 5.394 4.550 -0.000 0.000 0.341 206 Y C 0.342 176.177 175.900 -0.108 0.000 1.089 206 Y CA -1.349 56.726 58.100 -0.042 0.000 1.049 206 Y CB 0.905 39.339 38.460 -0.043 0.000 1.296 206 Y HN 0.678 nan 8.280 nan 0.000 0.470 207 G N -0.035 108.769 108.800 0.007 0.000 2.658 207 G HA2 0.625 4.585 3.960 -0.000 0.000 0.292 207 G HA3 0.625 4.585 3.960 -0.000 0.000 0.292 207 G C -1.931 172.856 174.900 -0.189 0.000 1.320 207 G CA -0.821 44.111 45.100 -0.280 0.000 0.933 207 G HN 1.467 nan 8.290 nan 0.000 0.476 208 V N 0.141 119.697 119.914 -0.598 0.000 2.668 208 V HA 0.750 4.870 4.120 -0.000 0.000 0.304 208 V C -1.683 174.341 176.094 -0.117 0.000 1.071 208 V CA -0.899 61.216 62.300 -0.308 0.000 0.894 208 V CB 1.466 33.084 31.823 -0.341 0.000 1.008 208 V HN 0.923 nan 8.190 nan 0.000 0.425 209 L N 7.186 128.602 121.223 0.322 0.000 2.307 209 L HA 0.770 5.110 4.340 -0.000 0.000 0.284 209 L C -0.652 176.454 176.870 0.394 0.000 1.023 209 L CA -0.031 55.089 54.840 0.467 0.000 0.810 209 L CB 1.903 44.359 42.059 0.663 0.000 1.231 209 L HN 0.591 nan 8.230 nan 0.000 0.423 210 V N 4.979 125.083 119.914 0.317 0.000 2.348 210 V HA 0.263 4.382 4.120 -0.000 0.000 0.270 210 V C 0.356 176.709 176.094 0.431 0.000 1.037 210 V CA -0.545 61.911 62.300 0.261 0.000 0.872 210 V CB 0.763 32.581 31.823 -0.007 0.000 1.002 210 V HN 0.806 nan 8.190 nan 0.000 0.464 211 N N 4.633 123.548 118.700 0.358 0.000 3.254 211 N HA 0.051 4.791 4.740 -0.000 0.000 0.308 211 N C -0.368 175.037 175.510 -0.175 0.000 1.281 211 N CA 0.122 53.360 53.050 0.314 0.000 1.212 211 N CB -0.425 38.315 38.487 0.421 0.000 1.478 211 N HN 0.703 nan 8.380 nan 0.000 0.548 212 H N 0.574 119.799 119.070 0.258 0.000 3.108 212 H HA 0.221 4.777 4.556 -0.000 0.000 0.329 212 H C -2.016 173.271 175.328 -0.067 0.000 0.978 212 H CA -1.318 54.751 56.048 0.034 0.000 1.413 212 H CB 2.176 31.978 29.762 0.067 0.000 1.670 212 H HN 0.245 nan 8.280 nan 0.000 0.512 213 P HA -0.121 nan 4.420 nan 0.000 0.222 213 P C 0.983 178.371 177.300 0.146 0.000 1.153 213 P CA 0.726 63.662 63.100 -0.272 0.000 0.798 213 P CB 0.505 31.909 31.700 -0.494 0.000 0.796 214 Q N 0.056 119.970 119.800 0.190 0.000 2.631 214 Q HA -0.019 4.321 4.340 -0.000 0.000 0.210 214 Q C 0.098 176.339 176.000 0.402 0.000 1.094 214 Q CA -0.214 55.789 55.803 0.334 0.000 1.055 214 Q CB -0.654 28.224 28.738 0.235 0.000 1.261 214 Q HN -0.010 nan 8.270 nan 0.000 0.615 215 C N 1.353 120.922 119.300 0.448 0.000 2.590 215 C HA 0.230 4.690 4.460 -0.000 0.000 0.411 215 C C 0.038 175.151 174.990 0.203 0.000 1.420 215 C CA -0.301 58.924 59.018 0.346 0.000 1.643 215 C CB -1.252 26.494 27.740 0.009 0.000 2.528 215 C HN 0.448 nan 8.230 nan 0.000 0.606 216 V N 7.206 127.270 119.914 0.249 0.000 2.394 216 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 216 V C 0.363 176.520 176.094 0.104 0.000 1.031 216 V CA -0.043 62.322 62.300 0.110 0.000 0.881 216 V CB 1.726 33.616 31.823 0.111 0.000 0.982 216 V HN 0.916 nan 8.190 nan 0.000 0.451 217 S N 5.378 121.064 115.700 -0.023 0.000 2.404 217 S HA 0.613 5.083 4.470 -0.000 0.000 0.309 217 S C -0.840 173.742 174.600 -0.030 0.000 1.076 217 S CA -0.401 57.810 58.200 0.017 0.000 1.095 217 S CB -0.261 62.909 63.200 -0.049 0.000 0.972 217 S HN 0.399 nan 8.310 nan 0.000 0.484 218 F N 3.110 123.101 119.950 0.069 0.000 2.420 218 F HA 0.421 4.948 4.527 -0.000 0.000 0.342 218 F C 0.802 176.600 175.800 -0.003 0.000 1.113 218 F CA -0.629 57.413 58.000 0.069 0.000 1.059 218 F CB 1.387 40.411 39.000 0.041 0.000 1.128 218 F HN 0.415 nan 8.300 nan 0.000 0.475 219 E N 3.763 124.046 120.200 0.138 0.000 2.121 219 E HA 0.233 4.583 4.350 -0.000 0.000 0.255 219 E C -0.970 175.640 176.600 0.017 0.000 0.906 219 E CA -0.366 56.058 56.400 0.040 0.000 0.745 219 E CB 1.763 31.446 29.700 -0.028 0.000 1.155 219 E HN 0.241 nan 8.360 nan 0.000 0.424 220 V N 1.710 121.615 119.914 -0.015 0.000 2.313 220 V HA 0.209 4.329 4.120 -0.000 0.000 0.252 220 V C 1.394 177.433 176.094 -0.092 0.000 1.112 220 V CA 0.158 62.402 62.300 -0.094 0.000 0.984 220 V CB 0.173 31.895 31.823 -0.168 0.000 1.157 220 V HN 0.922 nan 8.190 nan 0.000 0.493 221 G N 4.620 113.374 108.800 -0.077 0.000 2.296 221 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.282 221 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.282 221 G C 0.872 175.736 174.900 -0.060 0.000 1.014 221 G CA 0.852 45.913 45.100 -0.066 0.000 0.812 221 G HN 1.052 nan 8.290 nan 0.000 0.508 222 S N -2.134 113.532 115.700 -0.057 0.000 2.512 222 S HA 0.348 4.818 4.470 -0.000 0.000 0.216 222 S C 1.373 175.937 174.600 -0.060 0.000 1.006 222 S CA 0.869 59.037 58.200 -0.053 0.000 0.915 222 S CB 0.641 63.815 63.200 -0.045 0.000 0.824 222 S HN 0.669 nan 8.310 nan 0.000 0.497 223 E N 1.155 121.314 120.200 -0.068 0.000 2.290 223 E HA 0.197 4.547 4.350 -0.000 0.000 0.195 223 E C -0.461 176.087 176.600 -0.086 0.000 0.938 223 E CA -0.053 56.297 56.400 -0.084 0.000 1.018 223 E CB 0.466 30.104 29.700 -0.103 0.000 1.042 223 E HN 0.056 nan 8.360 nan 0.000 0.483 224 K N 2.362 122.714 120.400 -0.081 0.000 2.253 224 K HA 0.137 4.457 4.320 -0.000 0.000 0.277 224 K C 1.025 177.587 176.600 -0.064 0.000 1.053 224 K CA 0.019 56.260 56.287 -0.077 0.000 0.892 224 K CB 1.870 34.327 32.500 -0.072 0.000 1.102 224 K HN 0.223 nan 8.250 nan 0.000 0.469 225 V N 0.204 120.080 119.914 -0.063 0.000 2.759 225 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 225 V C 1.211 177.279 176.094 -0.044 0.000 1.080 225 V CA 1.718 63.986 62.300 -0.053 0.000 1.101 225 V CB -0.559 31.234 31.823 -0.050 0.000 0.698 225 V HN 0.645 nan 8.190 nan 0.000 0.477 226 S N -1.188 114.488 115.700 -0.040 0.000 2.561 226 S HA 0.515 4.985 4.470 -0.000 0.000 0.245 226 S C -0.021 174.571 174.600 -0.012 0.000 1.001 226 S CA -0.604 57.581 58.200 -0.024 0.000 1.002 226 S CB -0.260 62.928 63.200 -0.021 0.000 0.805 226 S HN 0.676 nan 8.310 nan 0.000 0.458 227 K N 0.320 120.707 120.400 -0.022 0.000 2.527 227 K HA 0.546 4.866 4.320 -0.000 0.000 0.260 227 K C -1.613 174.971 176.600 -0.025 0.000 0.937 227 K CA -0.607 55.674 56.287 -0.010 0.000 0.826 227 K CB 2.511 34.999 32.500 -0.021 0.000 1.359 227 K HN 0.045 nan 8.250 nan 0.000 0.434 228 V N 2.851 122.763 119.914 -0.002 0.000 2.348 228 V HA 0.237 4.357 4.120 -0.000 0.000 0.270 228 V C -0.245 175.863 176.094 0.023 0.000 1.037 228 V CA -0.491 61.806 62.300 -0.005 0.000 0.872 228 V CB 0.972 32.740 31.823 -0.091 0.000 1.002 228 V HN 0.641 nan 8.190 nan 0.000 0.464 229 Q N 5.353 125.150 119.800 -0.006 0.000 2.257 229 Q HA 0.603 4.943 4.340 -0.000 0.000 0.255 229 Q C -1.424 174.549 176.000 -0.046 0.000 0.920 229 Q CA -0.531 55.208 55.803 -0.107 0.000 0.927 229 Q CB 1.201 29.895 28.738 -0.074 0.000 1.229 229 Q HN 0.712 nan 8.270 nan 0.000 0.433 230 F N 0.800 120.677 119.950 -0.122 0.000 2.556 230 F HA 0.719 5.246 4.527 -0.000 0.000 0.314 230 F C -0.714 174.970 175.800 -0.193 0.000 1.106 230 F CA -0.959 56.822 58.000 -0.365 0.000 0.911 230 F CB 1.622 40.182 39.000 -0.734 0.000 1.190 230 F HN 0.432 nan 8.300 nan 0.000 0.448 231 S N 1.943 117.619 115.700 -0.041 0.000 2.599 231 S HA 0.901 5.371 4.470 -0.000 0.000 0.287 231 S C -1.575 173.018 174.600 -0.010 0.000 1.105 231 S CA -0.841 57.362 58.200 0.005 0.000 0.899 231 S CB 1.916 65.077 63.200 -0.066 0.000 1.100 231 S HN 1.397 nan 8.310 nan 0.000 0.482 232 V N 0.512 120.443 119.914 0.028 0.000 2.932 232 V HA 0.530 4.650 4.120 -0.000 0.000 0.307 232 V C -1.151 174.964 176.094 0.036 0.000 1.147 232 V CA -0.684 61.591 62.300 -0.042 0.000 0.951 232 V CB 1.954 33.553 31.823 -0.374 0.000 1.031 232 V HN 1.140 nan 8.190 nan 0.000 0.426 233 E N 3.677 123.876 120.200 -0.002 0.000 1.944 233 E HA 0.541 4.891 4.350 -0.000 0.000 0.272 233 E C -0.550 175.937 176.600 -0.189 0.000 1.195 233 E CA 0.285 56.531 56.400 -0.257 0.000 0.926 233 E CB 0.397 29.918 29.700 -0.298 0.000 1.051 233 E HN 0.756 nan 8.360 nan 0.000 0.404 234 S N 2.960 118.562 115.700 -0.163 0.000 2.578 234 S HA 0.122 4.592 4.470 -0.000 0.000 0.272 234 S C -0.217 174.416 174.600 0.054 0.000 1.145 234 S CA -0.700 57.443 58.200 -0.095 0.000 0.835 234 S CB 1.325 64.341 63.200 -0.306 0.000 1.104 234 S HN 0.517 nan 8.310 nan 0.000 0.458 235 E N 0.766 121.074 120.200 0.181 0.000 2.489 235 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 235 E C -0.494 176.329 176.600 0.372 0.000 1.057 235 E CA 0.503 57.091 56.400 0.314 0.000 0.866 235 E CB 0.130 30.021 29.700 0.318 0.000 0.916 235 E HN 0.591 nan 8.360 nan 0.000 0.500 236 Y N -1.954 118.473 120.300 0.212 0.000 2.597 236 Y HA 0.616 5.166 4.550 -0.000 0.000 0.340 236 Y C -1.345 174.712 175.900 0.261 0.000 1.097 236 Y CA -1.749 56.480 58.100 0.215 0.000 1.037 236 Y CB 0.941 39.503 38.460 0.170 0.000 1.305 236 Y HN -0.206 nan 8.280 nan 0.000 0.463 237 L N 2.379 123.762 121.223 0.267 0.000 2.385 237 L HA 0.650 4.990 4.340 -0.000 0.000 0.273 237 L C -1.222 175.935 176.870 0.479 0.000 0.990 237 L CA -0.514 54.510 54.840 0.307 0.000 0.821 237 L CB 2.082 44.303 42.059 0.271 0.000 1.279 237 L HN 0.906 nan 8.230 nan 0.000 0.412 238 E N 3.757 124.295 120.200 0.564 0.000 2.234 238 E HA 0.549 4.899 4.350 -0.000 0.000 0.266 238 E C -2.017 174.686 176.600 0.171 0.000 0.877 238 E CA -0.637 55.895 56.400 0.220 0.000 0.758 238 E CB 1.466 31.269 29.700 0.173 0.000 1.170 238 E HN 0.585 nan 8.360 nan 0.000 0.415 239 Y N 1.283 121.518 120.300 -0.109 0.000 2.562 239 Y HA 0.653 5.203 4.550 -0.000 0.000 0.345 239 Y C -1.782 173.921 175.900 -0.328 0.000 1.045 239 Y CA -1.462 56.589 58.100 -0.083 0.000 1.028 239 Y CB 0.967 39.479 38.460 0.086 0.000 1.297 239 Y HN 0.251 nan 8.280 nan 0.000 0.463 240 F N 1.855 121.933 119.950 0.214 0.000 2.444 240 F HA 0.603 5.130 4.527 -0.000 0.000 0.342 240 F C -0.461 175.377 175.800 0.063 0.000 1.121 240 F CA -1.233 56.801 58.000 0.056 0.000 0.997 240 F CB 1.991 41.066 39.000 0.124 0.000 1.130 240 F HN 0.353 nan 8.300 nan 0.000 0.454 241 V N 5.364 125.321 119.914 0.071 0.000 2.461 241 V HA 0.299 4.418 4.120 -0.000 0.000 0.275 241 V C 0.154 176.268 176.094 0.033 0.000 1.047 241 V CA -0.448 61.816 62.300 -0.060 0.000 0.955 241 V CB 1.009 32.540 31.823 -0.486 0.000 0.988 241 V HN 0.526 nan 8.190 nan 0.000 0.471 242 I N 3.808 124.433 120.570 0.092 0.000 2.382 242 I HA 0.335 4.505 4.170 -0.000 0.000 0.286 242 I C -0.116 176.067 176.117 0.111 0.000 1.002 242 I CA -0.493 60.870 61.300 0.106 0.000 1.135 242 I CB 1.626 39.746 38.000 0.200 0.000 1.288 242 I HN 0.518 nan 8.210 nan 0.000 0.448 243 D N 4.228 124.667 120.400 0.065 0.000 2.362 243 D HA 0.300 4.940 4.640 -0.000 0.000 0.242 243 D C 0.591 176.927 176.300 0.060 0.000 1.132 243 D CA 0.318 54.360 54.000 0.070 0.000 0.907 243 D CB 1.683 42.503 40.800 0.033 0.000 1.195 243 D HN 0.625 nan 8.370 nan 0.000 0.429 244 G N 1.121 109.958 108.800 0.061 0.000 2.601 244 G HA2 0.126 4.086 3.960 -0.000 0.000 0.214 244 G HA3 0.126 4.086 3.960 -0.000 0.000 0.214 244 G C -1.572 173.336 174.900 0.013 0.000 2.067 244 G CA -0.198 44.920 45.100 0.031 0.000 0.774 244 G HN 0.574 nan 8.290 nan 0.000 0.729 245 P HA 0.167 nan 4.420 nan 0.000 0.257 245 P C 0.094 177.399 177.300 0.009 0.000 1.281 245 P CA 0.627 63.742 63.100 0.025 0.000 0.826 245 P CB 0.098 31.812 31.700 0.023 0.000 1.237 246 T N -4.551 109.997 114.554 -0.010 0.000 2.918 246 T HA 0.441 4.791 4.350 -0.000 0.000 0.286 246 T C -2.183 172.490 174.700 -0.045 0.000 1.026 246 T CA -2.362 59.719 62.100 -0.031 0.000 1.031 246 T CB 1.961 70.804 68.868 -0.041 0.000 1.046 246 T HN -0.369 nan 8.240 nan 0.000 0.479 247 P HA -0.117 nan 4.420 nan 0.000 0.216 247 P C 1.290 178.550 177.300 -0.066 0.000 1.154 247 P CA 1.364 64.412 63.100 -0.087 0.000 0.865 247 P CB 0.092 31.708 31.700 -0.140 0.000 0.789 248 K N -1.026 119.329 120.400 -0.075 0.000 2.155 248 K HA 0.003 4.322 4.320 -0.000 0.000 0.203 248 K C 2.078 178.646 176.600 -0.054 0.000 1.052 248 K CA 1.285 57.528 56.287 -0.073 0.000 0.948 248 K CB -0.436 32.013 32.500 -0.086 0.000 0.728 248 K HN 0.058 nan 8.250 nan 0.000 0.448 249 A N 0.831 123.626 122.820 -0.041 0.000 2.016 249 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 249 A C 2.248 179.828 177.584 -0.007 0.000 1.162 249 A CA 0.810 52.830 52.037 -0.028 0.000 0.662 249 A CB -0.296 18.689 19.000 -0.024 0.000 0.812 249 A HN 0.035 nan 8.150 nan 0.000 0.450 250 V N 0.128 120.048 119.914 0.010 0.000 2.358 250 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 250 V C 2.476 178.613 176.094 0.072 0.000 1.047 250 V CA 1.873 64.210 62.300 0.062 0.000 1.035 250 V CB -0.733 31.140 31.823 0.084 0.000 0.658 250 V HN 0.571 nan 8.190 nan 0.000 0.452 251 L N 0.028 121.264 121.223 0.021 0.000 2.201 251 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 251 L C 2.352 179.202 176.870 -0.033 0.000 1.105 251 L CA 1.405 56.232 54.840 -0.021 0.000 0.775 251 L CB -0.515 41.505 42.059 -0.064 0.000 0.913 251 L HN 0.397 nan 8.230 nan 0.000 0.440 252 D N 0.466 120.842 120.400 -0.039 0.000 2.084 252 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 252 D C 2.300 178.566 176.300 -0.056 0.000 0.985 252 D CA 1.326 55.290 54.000 -0.059 0.000 0.826 252 D CB 0.139 40.906 40.800 -0.055 0.000 0.978 252 D HN 0.114 nan 8.370 nan 0.000 0.456 253 R N -0.880 119.601 120.500 -0.032 0.000 2.081 253 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 253 R C 2.443 178.731 176.300 -0.021 0.000 1.131 253 R CA 1.259 57.337 56.100 -0.038 0.000 0.960 253 R CB -0.716 29.567 30.300 -0.029 0.000 0.856 253 R HN 0.332 nan 8.270 nan 0.000 0.436 254 Y N 2.077 122.301 120.300 -0.126 0.000 2.165 254 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 254 Y C 2.502 178.254 175.900 -0.246 0.000 1.155 254 Y CA 2.151 60.122 58.100 -0.214 0.000 1.164 254 Y CB -0.334 37.797 38.460 -0.549 0.000 0.978 254 Y HN 0.133 nan 8.280 nan 0.000 0.513 255 T N -2.009 112.372 114.554 -0.288 0.000 3.014 255 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 255 T C 1.994 176.516 174.700 -0.298 0.000 1.078 255 T CA 0.852 62.728 62.100 -0.373 0.000 1.135 255 T CB -0.403 68.314 68.868 -0.251 0.000 0.895 255 T HN 0.364 nan 8.240 nan 0.000 0.480 256 R N -0.380 120.007 120.500 -0.188 0.000 2.105 256 R HA -0.066 4.274 4.340 -0.000 0.000 0.239 256 R C 2.107 178.345 176.300 -0.105 0.000 1.135 256 R CA 1.369 57.392 56.100 -0.129 0.000 0.967 256 R CB -0.439 29.808 30.300 -0.088 0.000 0.861 256 R HN 0.416 nan 8.270 nan 0.000 0.442 257 F N 0.671 120.407 119.950 -0.356 0.000 2.234 257 F HA -0.035 4.492 4.527 -0.000 0.000 0.296 257 F C 2.005 177.522 175.800 -0.470 0.000 1.089 257 F CA 1.839 59.600 58.000 -0.397 0.000 1.343 257 F CB -0.257 38.480 39.000 -0.438 0.000 1.040 257 F HN 0.126 nan 8.300 nan 0.000 0.498 258 T N -2.849 111.279 114.554 -0.711 0.000 2.975 258 T HA 0.549 4.899 4.350 -0.000 0.000 0.257 258 T C 0.707 175.041 174.700 -0.610 0.000 1.003 258 T CA 0.288 61.883 62.100 -0.842 0.000 0.932 258 T CB 0.280 68.453 68.868 -1.159 0.000 1.087 258 T HN 0.502 nan 8.240 nan 0.000 0.512 259 G N 1.391 109.877 108.800 -0.524 0.000 2.249 259 G HA2 0.313 4.273 3.960 -0.000 0.000 0.252 259 G HA3 0.313 4.273 3.960 -0.000 0.000 0.252 259 G C -1.476 173.185 174.900 -0.399 0.000 1.697 259 G CA -1.269 43.576 45.100 -0.424 0.000 0.916 259 G HN 0.277 nan 8.290 nan 0.000 0.725 260 R N 1.606 121.926 120.500 -0.300 0.000 2.390 260 R HA 0.407 4.747 4.340 -0.000 0.000 0.291 260 R C -2.452 173.693 176.300 -0.259 0.000 1.070 260 R CA -1.838 54.116 56.100 -0.244 0.000 1.014 260 R CB 0.632 30.838 30.300 -0.156 0.000 1.007 260 R HN 0.297 nan 8.270 nan 0.000 0.466 261 P HA -0.047 nan 4.420 nan 0.000 0.264 261 P C -0.465 176.823 177.300 -0.020 0.000 1.183 261 P CA 0.418 63.450 63.100 -0.115 0.000 0.763 261 P CB 0.531 32.238 31.700 0.011 0.000 0.807 262 A N 3.482 126.269 122.820 -0.054 0.000 2.296 262 A HA 0.389 4.709 4.320 -0.000 0.000 0.264 262 A C -0.381 177.271 177.584 0.113 0.000 1.097 262 A CA -0.283 51.783 52.037 0.048 0.000 0.811 262 A CB -0.072 19.008 19.000 0.132 0.000 1.072 262 A HN 0.557 nan 8.150 nan 0.000 0.495 263 L N 1.947 123.237 121.223 0.111 0.000 2.255 263 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 263 L C -2.282 174.619 176.870 0.051 0.000 1.046 263 L CA -1.946 52.929 54.840 0.057 0.000 0.816 263 L CB 0.486 42.575 42.059 0.049 0.000 1.197 263 L HN 0.349 nan 8.230 nan 0.000 0.427 264 P HA 0.280 nan 4.420 nan 0.000 0.272 264 P C -2.682 174.706 177.300 0.146 0.000 1.230 264 P CA -1.192 61.874 63.100 -0.057 0.000 0.788 264 P CB -0.264 31.240 31.700 -0.327 0.000 0.949 265 P HA 0.004 nan 4.420 nan 0.000 0.272 265 P C 0.249 177.559 177.300 0.015 0.000 1.223 265 P CA 0.057 63.089 63.100 -0.114 0.000 0.784 265 P CB 0.602 31.957 31.700 -0.575 0.000 0.923 266 A N 4.147 127.013 122.820 0.077 0.000 1.933 266 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 266 A C 2.062 179.830 177.584 0.306 0.000 1.175 266 A CA 1.374 53.486 52.037 0.126 0.000 0.628 266 A CB -1.748 17.156 19.000 -0.159 0.000 0.814 266 A HN 0.844 nan 8.150 nan 0.000 0.444 267 W N 1.071 122.486 121.300 0.191 0.000 2.341 267 W HA -0.222 4.438 4.660 -0.000 0.000 0.283 267 W C 1.683 178.315 176.519 0.188 0.000 1.215 267 W CA 1.447 58.871 57.345 0.131 0.000 1.211 267 W CB -1.317 28.170 29.460 0.045 0.000 1.131 267 W HN 0.524 nan 8.180 nan 0.000 0.552 268 S N -0.006 115.681 115.700 -0.021 0.000 2.522 268 S HA -0.094 4.375 4.470 -0.000 0.000 0.227 268 S C 1.336 176.104 174.600 0.280 0.000 0.986 268 S CA 0.465 58.751 58.200 0.143 0.000 0.929 268 S CB -1.295 61.781 63.200 -0.206 0.000 0.769 268 S HN 0.198 nan 8.310 nan 0.000 0.529 269 F N 2.647 122.677 119.950 0.133 0.000 2.780 269 F HA 0.335 4.862 4.527 -0.000 0.000 0.299 269 F C 2.003 177.855 175.800 0.086 0.000 1.146 269 F CA -0.160 57.817 58.000 -0.038 0.000 1.428 269 F CB -0.623 38.355 39.000 -0.036 0.000 1.115 269 F HN 0.321 nan 8.300 nan 0.000 0.583 270 G N 0.260 109.232 108.800 0.287 0.000 2.529 270 G HA2 0.234 4.194 3.960 -0.000 0.000 0.277 270 G HA3 0.234 4.194 3.960 -0.000 0.000 0.277 270 G C -0.924 174.238 174.900 0.435 0.000 1.383 270 G CA -0.519 44.682 45.100 0.169 0.000 1.050 270 G HN 0.001 nan 8.290 nan 0.000 0.526 271 L N -0.560 121.018 121.223 0.590 0.000 2.305 271 L HA 0.540 4.880 4.340 -0.000 0.000 0.281 271 L C -1.118 175.983 176.870 0.386 0.000 1.085 271 L CA -1.022 54.084 54.840 0.443 0.000 0.813 271 L CB 0.677 42.926 42.059 0.318 0.000 1.157 271 L HN 0.433 nan 8.230 nan 0.000 0.436 272 W N 6.215 127.543 121.300 0.047 0.000 2.417 272 W HA 0.565 5.225 4.660 -0.000 0.000 0.317 272 W C -0.462 175.993 176.519 -0.107 0.000 1.121 272 W CA -0.515 56.792 57.345 -0.064 0.000 1.208 272 W CB 0.898 30.215 29.460 -0.238 0.000 1.253 272 W HN 0.291 nan 8.180 nan 0.000 0.533 273 L N 2.790 124.058 121.223 0.075 0.000 2.362 273 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 273 L C -0.182 176.519 176.870 -0.283 0.000 1.002 273 L CA -0.395 54.438 54.840 -0.011 0.000 0.818 273 L CB 2.356 44.486 42.059 0.118 0.000 1.298 273 L HN 0.396 nan 8.230 nan 0.000 0.420 274 T N 0.708 115.146 114.554 -0.194 0.000 2.940 274 T HA 0.166 4.516 4.350 -0.000 0.000 0.288 274 T C 0.916 175.529 174.700 -0.144 0.000 1.033 274 T CA -0.211 61.740 62.100 -0.248 0.000 1.033 274 T CB 1.667 70.623 68.868 0.146 0.000 1.079 274 T HN 0.731 nan 8.240 nan 0.000 0.496 275 T N 2.680 117.057 114.554 -0.294 0.000 2.977 275 T HA 0.091 4.441 4.350 -0.000 0.000 0.271 275 T C 0.653 175.404 174.700 0.085 0.000 1.105 275 T CA 1.301 63.288 62.100 -0.189 0.000 1.116 275 T CB -0.575 67.816 68.868 -0.796 0.000 0.878 275 T HN 0.860 nan 8.240 nan 0.000 0.509 276 S N -1.262 114.552 115.700 0.190 0.000 3.795 276 S HA -0.166 4.304 4.470 -0.000 0.000 0.682 276 S C 0.023 174.851 174.600 0.380 0.000 1.792 276 S CA 0.237 58.558 58.200 0.202 0.000 1.892 276 S CB -1.079 62.192 63.200 0.118 0.000 0.343 276 S HN 0.383 nan 8.310 nan 0.000 1.341 277 F N 1.939 122.002 119.950 0.189 0.000 2.135 277 F HA 0.164 4.691 4.527 -0.000 0.000 0.280 277 F C 2.479 178.570 175.800 0.484 0.000 1.109 277 F CA 2.043 60.269 58.000 0.377 0.000 1.163 277 F CB -1.065 38.139 39.000 0.339 0.000 1.062 277 F HN 0.749 nan 8.300 nan 0.000 0.496 278 T N -1.143 113.324 114.554 -0.146 0.000 3.176 278 T HA 0.225 4.575 4.350 -0.000 0.000 0.263 278 T C 0.626 175.160 174.700 -0.277 0.000 1.021 278 T CA 0.223 62.109 62.100 -0.357 0.000 0.905 278 T CB -1.582 66.980 68.868 -0.510 0.000 1.057 278 T HN 0.371 nan 8.240 nan 0.000 0.558 279 T N 1.024 115.524 114.554 -0.090 0.000 2.680 279 T HA 0.214 4.564 4.350 -0.000 0.000 0.314 279 T C 0.107 174.758 174.700 -0.082 0.000 1.045 279 T CA -0.590 61.453 62.100 -0.095 0.000 1.025 279 T CB -0.064 68.769 68.868 -0.058 0.000 1.000 279 T HN 0.391 nan 8.240 nan 0.000 0.535 280 N N 0.758 119.465 118.700 0.012 0.000 2.518 280 N HA 0.530 5.270 4.740 -0.000 0.000 0.283 280 N C -1.295 174.346 175.510 0.219 0.000 1.119 280 N CA -0.638 52.376 53.050 -0.060 0.000 0.983 280 N CB 0.557 39.020 38.487 -0.041 0.000 1.139 280 N HN 0.783 nan 8.380 nan 0.000 0.465 281 Y N -1.517 118.830 120.300 0.078 0.000 2.436 281 Y HA 0.482 5.032 4.550 -0.000 0.000 0.327 281 Y C -1.590 174.318 175.900 0.014 0.000 1.138 281 Y CA -1.444 56.728 58.100 0.120 0.000 1.042 281 Y CB 0.825 39.469 38.460 0.307 0.000 1.302 281 Y HN 0.484 nan 8.280 nan 0.000 0.439 282 D N 0.147 120.576 120.400 0.047 0.000 2.758 282 D HA 0.245 4.885 4.640 -0.000 0.000 0.279 282 D C 0.650 177.001 176.300 0.085 0.000 1.111 282 D CA -0.773 53.079 54.000 -0.246 0.000 1.109 282 D CB 0.818 41.459 40.800 -0.265 0.000 1.428 282 D HN 0.640 nan 8.370 nan 0.000 0.586 283 E N -0.506 119.743 120.200 0.081 0.000 2.077 283 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 283 E C 1.916 178.541 176.600 0.041 0.000 0.989 283 E CA 1.415 57.940 56.400 0.208 0.000 0.800 283 E CB -0.272 29.519 29.700 0.151 0.000 0.746 283 E HN 0.472 nan 8.360 nan 0.000 0.452 284 A N 0.273 123.078 122.820 -0.026 0.000 1.877 284 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 284 A C 2.393 179.887 177.584 -0.149 0.000 1.186 284 A CA 2.166 54.158 52.037 -0.076 0.000 0.620 284 A CB -1.085 17.872 19.000 -0.072 0.000 0.822 284 A HN 0.375 nan 8.150 nan 0.000 0.443 285 T N -0.289 114.156 114.554 -0.181 0.000 2.720 285 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 285 T C 1.849 176.158 174.700 -0.652 0.000 1.037 285 T CA 1.551 63.397 62.100 -0.424 0.000 1.144 285 T CB -0.546 68.127 68.868 -0.325 0.000 0.864 285 T HN 0.152 nan 8.240 nan 0.000 0.444 286 V N 2.593 122.308 119.914 -0.331 0.000 2.237 286 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 286 V C 2.542 178.391 176.094 -0.408 0.000 1.046 286 V CA 1.623 63.680 62.300 -0.404 0.000 1.007 286 V CB -0.596 31.088 31.823 -0.232 0.000 0.638 286 V HN 0.502 nan 8.190 nan 0.000 0.445 287 N N 0.142 118.689 118.700 -0.255 0.000 2.104 287 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 287 N C 2.181 177.622 175.510 -0.115 0.000 1.024 287 N CA 1.860 54.803 53.050 -0.178 0.000 0.853 287 N CB -0.409 38.007 38.487 -0.118 0.000 1.008 287 N HN 0.529 nan 8.380 nan 0.000 0.424 288 S N 0.769 116.391 115.700 -0.130 0.000 2.365 288 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 288 S C 1.882 176.597 174.600 0.192 0.000 1.039 288 S CA 0.954 59.135 58.200 -0.031 0.000 1.033 288 S CB -0.368 62.783 63.200 -0.082 0.000 0.887 288 S HN 0.157 nan 8.310 nan 0.000 0.447 289 F N 1.385 121.349 119.950 0.024 0.000 2.095 289 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 289 F C 2.307 178.191 175.800 0.139 0.000 1.104 289 F CA 0.403 58.484 58.000 0.136 0.000 1.232 289 F CB -1.247 37.777 39.000 0.039 0.000 0.987 289 F HN 0.253 nan 8.300 nan 0.000 0.475 290 I N -0.178 120.491 120.570 0.165 0.000 2.252 290 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 290 I C 2.004 178.139 176.117 0.029 0.000 1.102 290 I CA 1.319 62.638 61.300 0.032 0.000 1.385 290 I CB -0.386 37.520 38.000 -0.156 0.000 1.064 290 I HN -0.013 nan 8.210 nan 0.000 0.414 291 D N 0.671 121.074 120.400 0.005 0.000 2.149 291 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 291 D C 2.225 178.497 176.300 -0.048 0.000 0.972 291 D CA 1.422 55.404 54.000 -0.030 0.000 0.835 291 D CB -0.611 40.159 40.800 -0.050 0.000 0.966 291 D HN 0.375 nan 8.370 nan 0.000 0.476 292 G N 0.928 109.715 108.800 -0.021 0.000 2.440 292 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 292 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 292 G C 1.573 176.332 174.900 -0.236 0.000 1.154 292 G CA 0.631 45.563 45.100 -0.280 0.000 0.767 292 G HN 0.108 nan 8.290 nan 0.000 0.552 293 M N 1.117 120.808 119.600 0.152 0.000 2.067 293 M HA 0.027 4.507 4.480 -0.000 0.000 0.260 293 M C 3.092 179.418 176.300 0.043 0.000 1.069 293 M CA 1.462 56.876 55.300 0.189 0.000 1.117 293 M CB -1.335 31.386 32.600 0.201 0.000 1.334 293 M HN 0.315 nan 8.290 nan 0.000 0.407 294 A N 0.269 123.089 122.820 -0.000 0.000 1.908 294 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 294 A C 2.050 179.605 177.584 -0.049 0.000 1.181 294 A CA 1.963 53.983 52.037 -0.030 0.000 0.627 294 A CB -0.806 18.169 19.000 -0.042 0.000 0.818 294 A HN 0.598 nan 8.150 nan 0.000 0.445 295 E N -0.613 119.536 120.200 -0.085 0.000 2.110 295 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 295 E C 1.882 178.425 176.600 -0.095 0.000 0.988 295 E CA 1.169 57.506 56.400 -0.104 0.000 0.804 295 E CB -0.125 29.480 29.700 -0.159 0.000 0.745 295 E HN 0.533 nan 8.360 nan 0.000 0.458 296 R N 0.831 121.269 120.500 -0.102 0.000 2.320 296 R HA 0.102 4.442 4.340 -0.000 0.000 0.211 296 R C -0.216 176.087 176.300 0.005 0.000 0.931 296 R CA 0.011 56.080 56.100 -0.052 0.000 1.071 296 R CB 0.002 30.277 30.300 -0.042 0.000 1.025 296 R HN 0.104 nan 8.270 nan 0.000 0.495 297 N N 0.783 119.482 118.700 -0.002 0.000 2.740 297 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 297 N C -1.145 174.390 175.510 0.041 0.000 1.062 297 N CA 0.895 53.952 53.050 0.012 0.000 0.704 297 N CB -1.244 37.249 38.487 0.009 0.000 0.968 297 N HN 0.287 nan 8.380 nan 0.000 0.547 298 L N 0.432 121.690 121.223 0.059 0.000 2.283 298 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 298 L C -2.008 174.891 176.870 0.047 0.000 1.033 298 L CA -1.631 53.263 54.840 0.090 0.000 0.848 298 L CB 1.101 43.254 42.059 0.157 0.000 1.226 298 L HN -0.259 nan 8.230 nan 0.000 0.429 299 P HA 0.110 nan 4.420 nan 0.000 0.267 299 P C -0.885 176.294 177.300 -0.202 0.000 1.200 299 P CA -0.026 63.038 63.100 -0.060 0.000 0.772 299 P CB 0.894 32.655 31.700 0.101 0.000 0.855 300 L N 2.881 123.768 121.223 -0.560 0.000 2.513 300 L HA 0.278 4.618 4.340 -0.000 0.000 0.261 300 L C -0.357 176.038 176.870 -0.792 0.000 0.945 300 L CA -0.368 54.194 54.840 -0.463 0.000 0.848 300 L CB 1.944 43.923 42.059 -0.133 0.000 1.334 300 L HN 0.536 nan 8.230 nan 0.000 0.407 301 H N 2.491 121.567 119.070 0.010 0.000 2.926 301 H HA 0.361 4.917 4.556 -0.000 0.000 0.249 301 H C -0.358 174.859 175.328 -0.185 0.000 0.963 301 H CA 0.063 56.084 56.048 -0.044 0.000 1.158 301 H CB 1.213 31.006 29.762 0.050 0.000 1.445 301 H HN 0.228 nan 8.280 nan 0.000 0.452 302 V N 0.903 120.695 119.914 -0.203 0.000 2.709 302 V HA 0.274 4.394 4.120 -0.000 0.000 0.308 302 V C -1.487 174.467 176.094 -0.234 0.000 1.062 302 V CA -0.961 61.063 62.300 -0.460 0.000 0.901 302 V CB 2.564 33.604 31.823 -1.304 0.000 1.003 302 V HN 0.108 nan 8.190 nan 0.000 0.425 303 F N 3.263 123.036 119.950 -0.295 0.000 2.507 303 F HA 0.721 5.248 4.527 -0.000 0.000 0.325 303 F C -0.474 175.227 175.800 -0.166 0.000 1.116 303 F CA -0.472 57.407 58.000 -0.202 0.000 0.930 303 F CB 1.509 40.385 39.000 -0.208 0.000 1.146 303 F HN 0.729 nan 8.300 nan 0.000 0.447 304 H N 5.413 123.814 119.070 -1.116 0.000 2.481 304 H HA 0.453 5.009 4.556 -0.000 0.000 0.333 304 H C -1.698 173.168 175.328 -0.770 0.000 1.066 304 H CA -0.765 54.901 56.048 -0.637 0.000 1.209 304 H CB 0.812 30.306 29.762 -0.447 0.000 1.445 304 H HN 0.488 nan 8.280 nan 0.000 0.488 305 F N 4.070 123.508 119.950 -0.854 0.000 2.391 305 F HA 0.182 4.709 4.527 -0.000 0.000 0.359 305 F C 0.751 176.173 175.800 -0.631 0.000 1.122 305 F CA -0.443 57.227 58.000 -0.550 0.000 1.120 305 F CB 0.743 39.548 39.000 -0.325 0.000 1.142 305 F HN 0.639 nan 8.300 nan 0.000 0.483 306 D N 1.270 121.553 120.400 -0.196 0.000 2.403 306 D HA 0.128 4.768 4.640 -0.000 0.000 0.278 306 D C 1.139 177.600 176.300 0.268 0.000 1.230 306 D CA -0.324 53.766 54.000 0.151 0.000 1.062 306 D CB 0.686 41.696 40.800 0.349 0.000 1.119 306 D HN 0.561 nan 8.370 nan 0.000 0.557 307 C N -0.425 118.716 119.300 -0.265 0.000 2.411 307 C HA -0.117 4.343 4.460 -0.000 0.000 0.279 307 C C 2.248 176.654 174.990 -0.974 0.000 1.288 307 C CA 0.215 58.433 59.018 -1.334 0.000 1.764 307 C CB -1.244 25.064 27.740 -2.386 0.000 1.974 307 C HN 0.442 nan 8.230 nan 0.000 0.498 308 F N 1.401 121.320 119.950 -0.052 0.000 2.795 308 F HA 0.033 4.560 4.527 -0.000 0.000 0.303 308 F C 2.072 178.097 175.800 0.376 0.000 1.186 308 F CA -0.042 58.031 58.000 0.121 0.000 1.415 308 F CB -0.705 38.241 39.000 -0.090 0.000 1.106 308 F HN 0.570 nan 8.300 nan 0.000 0.558 309 W N -0.435 121.096 121.300 0.385 0.000 2.465 309 W HA 0.038 4.698 4.660 -0.000 0.000 0.268 309 W C 0.099 176.669 176.519 0.085 0.000 1.242 309 W CA 0.304 57.775 57.345 0.209 0.000 1.248 309 W CB -0.710 28.521 29.460 -0.381 0.000 1.118 309 W HN -0.017 nan 8.180 nan 0.000 0.587 310 M N 1.293 120.593 119.600 -0.500 0.000 2.573 310 M HA 0.280 4.760 4.480 -0.000 0.000 0.309 310 M C 0.236 176.584 176.300 0.080 0.000 1.202 310 M CA -0.667 54.413 55.300 -0.366 0.000 0.975 310 M CB 1.762 33.961 32.600 -0.668 0.000 1.600 310 M HN -0.387 nan 8.290 nan 0.000 0.479 311 K N 1.151 121.598 120.400 0.078 0.000 2.436 311 K HA 0.302 4.622 4.320 -0.000 0.000 0.275 311 K C -0.284 176.237 176.600 -0.132 0.000 0.999 311 K CA -0.317 56.000 56.287 0.050 0.000 0.980 311 K CB 0.600 33.121 32.500 0.035 0.000 0.919 311 K HN 0.715 nan 8.250 nan 0.000 0.484 312 A N 2.823 125.472 122.820 -0.284 0.000 2.531 312 A HA 0.105 4.425 4.320 -0.000 0.000 0.236 312 A C 0.021 177.041 177.584 -0.939 0.000 1.062 312 A CA 0.101 51.602 52.037 -0.894 0.000 0.760 312 A CB -0.548 17.943 19.000 -0.849 0.000 0.995 312 A HN 0.785 nan 8.150 nan 0.000 0.501 313 F N -1.257 118.120 119.950 -0.955 0.000 2.825 313 F HA -0.248 4.279 4.527 -0.000 0.000 0.358 313 F C 1.231 176.777 175.800 -0.424 0.000 0.639 313 F CA 1.674 59.286 58.000 -0.646 0.000 1.153 313 F CB -1.989 36.768 39.000 -0.404 0.000 1.610 313 F HN 0.742 nan 8.300 nan 0.000 0.305 314 Q N -1.510 118.124 119.800 -0.278 0.000 2.179 314 Q HA 0.062 4.402 4.340 -0.000 0.000 0.213 314 Q C 0.048 176.115 176.000 0.111 0.000 0.833 314 Q CA -0.343 55.444 55.803 -0.027 0.000 0.990 314 Q CB 0.419 29.165 28.738 0.014 0.000 1.132 314 Q HN 0.292 nan 8.270 nan 0.000 0.493 315 W N 0.069 121.340 121.300 -0.048 0.000 2.193 315 W HA 0.025 4.685 4.660 -0.000 0.000 0.338 315 W C 0.953 177.606 176.519 0.224 0.000 1.310 315 W CA -1.071 56.291 57.345 0.028 0.000 1.243 315 W CB 0.120 29.594 29.460 0.023 0.000 1.165 315 W HN 0.161 nan 8.180 nan 0.000 0.566 316 C N 2.951 122.525 119.300 0.456 0.000 4.507 316 C HA -0.256 4.204 4.460 -0.000 0.000 0.285 316 C C 1.338 176.315 174.990 -0.022 0.000 1.335 316 C CA 0.947 60.070 59.018 0.175 0.000 1.953 316 C CB -2.405 25.362 27.740 0.045 0.000 1.262 316 C HN 0.745 nan 8.230 nan 0.000 0.776 317 D N -1.440 118.946 120.400 -0.023 0.000 2.398 317 D HA 0.189 4.829 4.640 -0.000 0.000 0.210 317 D C 0.929 177.372 176.300 0.238 0.000 1.094 317 D CA 0.220 54.348 54.000 0.213 0.000 0.839 317 D CB -0.302 40.676 40.800 0.297 0.000 0.963 317 D HN 0.512 nan 8.370 nan 0.000 0.506 318 F N -0.827 119.157 119.950 0.056 0.000 2.794 318 F HA -0.198 4.329 4.527 -0.000 0.000 0.335 318 F C 0.166 176.048 175.800 0.136 0.000 0.653 318 F CA 0.387 58.447 58.000 0.099 0.000 1.266 318 F CB -1.978 37.070 39.000 0.079 0.000 1.666 318 F HN 0.012 nan 8.300 nan 0.000 0.314 319 E N 0.665 120.956 120.200 0.151 0.000 2.146 319 E HA 0.335 4.685 4.350 -0.000 0.000 0.282 319 E C -0.644 176.063 176.600 0.179 0.000 0.989 319 E CA -0.616 55.927 56.400 0.238 0.000 0.799 319 E CB 0.336 30.167 29.700 0.218 0.000 1.088 319 E HN 0.138 nan 8.360 nan 0.000 0.397 320 W N 3.488 125.030 121.300 0.404 0.000 2.385 320 W HA -0.025 4.635 4.660 -0.000 0.000 0.336 320 W C 0.672 177.384 176.519 0.322 0.000 1.351 320 W CA 0.091 57.701 57.345 0.443 0.000 1.295 320 W CB 0.241 29.917 29.460 0.361 0.000 1.239 320 W HN 0.420 nan 8.180 nan 0.000 0.565 321 D N 5.652 126.373 120.400 0.535 0.000 2.426 321 D HA -0.031 4.609 4.640 -0.000 0.000 0.261 321 D C -1.396 175.144 176.300 0.401 0.000 1.245 321 D CA -1.321 52.918 54.000 0.400 0.000 0.917 321 D CB 1.068 42.099 40.800 0.385 0.000 1.123 321 D HN 0.102 nan 8.370 nan 0.000 0.508 322 P HA 0.019 nan 4.420 nan 0.000 0.237 322 P C 0.987 178.370 177.300 0.138 0.000 1.178 322 P CA 0.546 63.775 63.100 0.215 0.000 0.766 322 P CB 0.219 32.017 31.700 0.163 0.000 0.876 323 L N -2.453 118.834 121.223 0.107 0.000 2.616 323 L HA 0.179 4.519 4.340 -0.000 0.000 0.229 323 L C 1.502 178.354 176.870 -0.030 0.000 1.110 323 L CA 0.675 55.536 54.840 0.035 0.000 0.884 323 L CB -0.253 41.820 42.059 0.023 0.000 1.115 323 L HN -0.086 nan 8.230 nan 0.000 0.481 324 T N -1.042 113.483 114.554 -0.049 0.000 2.999 324 T HA 0.217 4.567 4.350 -0.000 0.000 0.247 324 T C 0.032 174.409 174.700 -0.539 0.000 1.012 324 T CA 0.399 62.301 62.100 -0.331 0.000 1.048 324 T CB 0.351 69.014 68.868 -0.341 0.000 1.020 324 T HN -0.043 nan 8.240 nan 0.000 0.478 325 F N 1.340 121.421 119.950 0.218 0.000 2.646 325 F HA 0.386 4.913 4.527 -0.000 0.000 0.336 325 F C -2.291 173.570 175.800 0.102 0.000 1.437 325 F CA -2.441 55.677 58.000 0.196 0.000 1.142 325 F CB 1.367 40.600 39.000 0.388 0.000 1.530 325 F HN -0.072 nan 8.300 nan 0.000 0.591 326 P HA -0.131 nan 4.420 nan 0.000 0.218 326 P C 0.244 177.570 177.300 0.043 0.000 1.148 326 P CA 1.464 64.621 63.100 0.095 0.000 0.822 326 P CB 0.386 32.113 31.700 0.046 0.000 0.784 327 D N -1.742 118.658 120.400 -0.001 0.000 2.468 327 D HA 0.137 4.777 4.640 -0.000 0.000 0.272 327 D C -1.837 174.334 176.300 -0.215 0.000 1.221 327 D CA -2.257 51.689 54.000 -0.090 0.000 0.860 327 D CB 0.641 41.401 40.800 -0.066 0.000 1.190 327 D HN -0.074 nan 8.370 nan 0.000 0.509 328 P HA -0.118 nan 4.420 nan 0.000 0.215 328 P C 0.997 177.893 177.300 -0.675 0.000 1.157 328 P CA 1.056 63.610 63.100 -0.909 0.000 0.863 328 P CB 0.719 31.363 31.700 -1.761 0.000 0.787 329 E N -0.076 119.852 120.200 -0.453 0.000 2.051 329 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 329 E C 2.395 178.856 176.600 -0.233 0.000 0.991 329 E CA 1.713 57.931 56.400 -0.303 0.000 0.799 329 E CB -1.381 28.199 29.700 -0.201 0.000 0.748 329 E HN 0.275 nan 8.360 nan 0.000 0.449 330 G N 0.852 109.536 108.800 -0.194 0.000 2.402 330 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 330 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 330 G C 1.590 176.407 174.900 -0.138 0.000 1.162 330 G CA 0.923 45.940 45.100 -0.138 0.000 0.777 330 G HN 0.243 nan 8.290 nan 0.000 0.539 331 M N -0.079 119.423 119.600 -0.164 0.000 2.149 331 M HA 0.019 4.499 4.480 -0.000 0.000 0.261 331 M C 2.325 178.546 176.300 -0.132 0.000 1.064 331 M CA 1.519 56.747 55.300 -0.121 0.000 1.102 331 M CB -0.218 32.323 32.600 -0.098 0.000 1.369 331 M HN 0.225 nan 8.290 nan 0.000 0.408 332 I N -0.250 120.192 120.570 -0.213 0.000 2.353 332 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 332 I C 2.504 178.539 176.117 -0.138 0.000 1.119 332 I CA 0.887 62.078 61.300 -0.182 0.000 1.417 332 I CB -0.334 37.510 38.000 -0.260 0.000 1.078 332 I HN 0.308 nan 8.210 nan 0.000 0.421 333 R N 0.584 121.001 120.500 -0.139 0.000 2.083 333 R HA -0.171 4.168 4.340 -0.000 0.000 0.237 333 R C 2.411 178.650 176.300 -0.100 0.000 1.137 333 R CA 1.440 57.470 56.100 -0.116 0.000 0.951 333 R CB -0.348 29.889 30.300 -0.106 0.000 0.851 333 R HN 0.337 nan 8.270 nan 0.000 0.434 334 R N 0.486 120.930 120.500 -0.093 0.000 2.105 334 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 334 R C 2.345 178.592 176.300 -0.088 0.000 1.135 334 R CA 1.271 57.322 56.100 -0.083 0.000 0.967 334 R CB -0.365 29.891 30.300 -0.073 0.000 0.861 334 R HN 0.243 nan 8.270 nan 0.000 0.442 335 L N 0.574 121.745 121.223 -0.087 0.000 2.056 335 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 335 L C 2.660 179.467 176.870 -0.106 0.000 1.078 335 L CA 1.236 56.020 54.840 -0.093 0.000 0.749 335 L CB -0.475 41.553 42.059 -0.052 0.000 0.901 335 L HN 0.189 nan 8.230 nan 0.000 0.433 336 K N 0.735 121.067 120.400 -0.113 0.000 2.097 336 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 336 K C 1.943 178.475 176.600 -0.115 0.000 1.049 336 K CA 1.330 57.537 56.287 -0.133 0.000 0.933 336 K CB 0.021 32.436 32.500 -0.141 0.000 0.717 336 K HN 0.264 nan 8.250 nan 0.000 0.442 337 A N 1.034 123.795 122.820 -0.099 0.000 2.168 337 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 337 A C 1.217 178.752 177.584 -0.081 0.000 1.152 337 A CA 0.873 52.859 52.037 -0.085 0.000 0.716 337 A CB -0.067 18.888 19.000 -0.076 0.000 0.794 337 A HN 0.257 nan 8.150 nan 0.000 0.465 338 K N -0.884 119.462 120.400 -0.089 0.000 2.446 338 K HA 0.301 4.620 4.320 -0.000 0.000 0.203 338 K C 0.844 177.390 176.600 -0.090 0.000 1.027 338 K CA 0.360 56.596 56.287 -0.086 0.000 1.166 338 K CB 0.055 32.499 32.500 -0.093 0.000 0.869 338 K HN 0.524 nan 8.250 nan 0.000 0.504 339 G N 1.435 110.178 108.800 -0.094 0.000 2.143 339 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.249 339 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.249 339 G C -0.070 174.760 174.900 -0.117 0.000 0.981 339 G CA -0.163 44.883 45.100 -0.090 0.000 0.665 339 G HN 0.192 nan 8.290 nan 0.000 0.528 340 L N 0.254 121.390 121.223 -0.145 0.000 2.334 340 L HA 0.588 4.928 4.340 -0.000 0.000 0.275 340 L C 0.611 177.313 176.870 -0.280 0.000 1.036 340 L CA -1.148 53.586 54.840 -0.177 0.000 0.807 340 L CB 1.188 43.175 42.059 -0.120 0.000 1.231 340 L HN -0.139 nan 8.230 nan 0.000 0.438 341 K N 2.181 122.330 120.400 -0.418 0.000 2.118 341 K HA 0.561 4.881 4.320 -0.000 0.000 0.264 341 K C -0.807 175.562 176.600 -0.385 0.000 1.000 341 K CA -0.563 55.361 56.287 -0.605 0.000 0.929 341 K CB 1.839 33.603 32.500 -1.226 0.000 1.021 341 K HN 0.286 nan 8.250 nan 0.000 0.463 342 I N 0.800 121.180 120.570 -0.317 0.000 2.406 342 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 342 I C -0.268 175.758 176.117 -0.152 0.000 0.999 342 I CA -0.446 60.781 61.300 -0.120 0.000 1.124 342 I CB 1.648 39.637 38.000 -0.019 0.000 1.289 342 I HN 0.486 nan 8.210 nan 0.000 0.441 343 C N 7.271 126.542 119.300 -0.049 0.000 2.493 343 C HA 0.924 5.384 4.460 -0.000 0.000 0.326 343 C C -0.356 174.696 174.990 0.104 0.000 1.200 343 C CA -0.348 58.692 59.018 0.036 0.000 1.739 343 C CB 0.923 28.800 27.740 0.228 0.000 2.300 343 C HN 0.718 nan 8.230 nan 0.000 0.500 344 V N 2.737 122.696 119.914 0.076 0.000 2.962 344 V HA 0.675 4.795 4.120 -0.000 0.000 0.313 344 V C -0.852 175.499 176.094 0.428 0.000 1.099 344 V CA -0.883 61.425 62.300 0.014 0.000 0.971 344 V CB 1.431 32.925 31.823 -0.548 0.000 1.028 344 V HN 1.122 nan 8.190 nan 0.000 0.430 345 W N 5.567 127.077 121.300 0.351 0.000 2.216 345 W HA 0.671 5.331 4.660 -0.000 0.000 0.326 345 W C -0.180 176.660 176.519 0.535 0.000 1.319 345 W CA 0.087 57.726 57.345 0.490 0.000 1.213 345 W CB 0.739 30.433 29.460 0.389 0.000 1.171 345 W HN 0.875 nan 8.180 nan 0.000 0.557 346 I N 4.238 124.737 120.570 -0.119 0.000 3.174 346 I HA 0.669 4.839 4.170 -0.000 0.000 0.313 346 I C -0.904 174.641 176.117 -0.952 0.000 1.155 346 I CA -1.206 59.886 61.300 -0.345 0.000 0.977 346 I CB 2.254 40.309 38.000 0.091 0.000 1.248 346 I HN 0.609 nan 8.210 nan 0.000 0.453 347 N N 1.312 119.668 118.700 -0.575 0.000 3.039 347 N HA 0.531 5.271 4.740 -0.000 0.000 0.257 347 N C -2.916 172.570 175.510 -0.040 0.000 1.497 347 N CA -1.726 51.143 53.050 -0.303 0.000 0.861 347 N CB 1.479 39.690 38.487 -0.461 0.000 1.479 347 N HN 0.444 nan 8.380 nan 0.000 0.547 348 P HA 0.289 nan 4.420 nan 0.000 0.262 348 P C -1.154 176.349 177.300 0.338 0.000 1.651 348 P CA 0.221 63.265 63.100 -0.094 0.000 1.119 348 P CB -0.293 31.059 31.700 -0.581 0.000 1.552 349 Y N -0.204 120.328 120.300 0.387 0.000 2.602 349 Y HA 0.619 5.169 4.550 -0.000 0.000 0.342 349 Y C 0.311 176.438 175.900 0.378 0.000 1.029 349 Y CA -2.523 55.763 58.100 0.310 0.000 1.080 349 Y CB 1.517 40.159 38.460 0.304 0.000 1.284 349 Y HN -0.215 nan 8.280 nan 0.000 0.485 350 I N 0.932 121.747 120.570 0.408 0.000 2.610 350 I HA 0.584 4.754 4.170 -0.000 0.000 0.289 350 I C -0.207 176.125 176.117 0.359 0.000 1.163 350 I CA -0.455 61.058 61.300 0.355 0.000 1.044 350 I CB 1.533 39.659 38.000 0.209 0.000 1.251 350 I HN 0.778 nan 8.210 nan 0.000 0.424 351 G N 4.340 113.307 108.800 0.279 0.000 2.527 351 G HA2 0.097 4.057 3.960 -0.000 0.000 0.248 351 G HA3 0.097 4.057 3.960 -0.000 0.000 0.248 351 G C 0.298 175.191 174.900 -0.012 0.000 1.231 351 G CA -0.192 44.978 45.100 0.116 0.000 0.838 351 G HN 0.843 nan 8.290 nan 0.000 0.570 352 Q N 0.528 120.097 119.800 -0.384 0.000 2.167 352 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 352 Q C 2.278 178.001 176.000 -0.462 0.000 0.970 352 Q CA 1.393 56.597 55.803 -0.997 0.000 0.855 352 Q CB -0.073 28.078 28.738 -0.978 0.000 0.911 352 Q HN 0.694 nan 8.270 nan 0.000 0.438 353 K N 0.322 120.580 120.400 -0.235 0.000 2.281 353 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 353 K C 0.541 177.130 176.600 -0.017 0.000 1.046 353 K CA 0.697 56.917 56.287 -0.112 0.000 0.938 353 K CB -0.101 32.369 32.500 -0.049 0.000 0.737 353 K HN 0.036 nan 8.250 nan 0.000 0.458 354 S N 0.992 116.715 115.700 0.038 0.000 2.533 354 S HA 0.090 4.560 4.470 -0.000 0.000 0.282 354 S C -1.859 172.832 174.600 0.151 0.000 1.304 354 S CA -1.465 56.809 58.200 0.123 0.000 1.063 354 S CB 0.975 64.294 63.200 0.199 0.000 0.881 354 S HN 0.064 nan 8.310 nan 0.000 0.493 355 P HA -0.087 nan 4.420 nan 0.000 0.218 355 P C 1.299 178.711 177.300 0.187 0.000 1.146 355 P CA 0.615 63.801 63.100 0.144 0.000 0.813 355 P CB 0.058 31.840 31.700 0.137 0.000 0.778 356 V N -1.580 118.479 119.914 0.242 0.000 2.809 356 V HA -0.174 3.946 4.120 -0.000 0.000 0.256 356 V C 2.004 178.212 176.094 0.190 0.000 1.080 356 V CA 1.047 63.512 62.300 0.276 0.000 1.102 356 V CB -1.216 30.867 31.823 0.434 0.000 0.705 356 V HN 0.025 nan 8.190 nan 0.000 0.475 357 F N 1.611 121.585 119.950 0.041 0.000 2.095 357 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 357 F C 2.432 178.193 175.800 -0.065 0.000 1.104 357 F CA 2.433 60.414 58.000 -0.032 0.000 1.232 357 F CB -0.146 38.842 39.000 -0.020 0.000 0.987 357 F HN 0.041 nan 8.300 nan 0.000 0.475 358 K N 0.442 120.986 120.400 0.240 0.000 2.057 358 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 358 K C 2.237 178.814 176.600 -0.039 0.000 1.049 358 K CA 1.741 58.094 56.287 0.110 0.000 0.931 358 K CB -0.431 32.141 32.500 0.119 0.000 0.714 358 K HN 0.502 nan 8.250 nan 0.000 0.440 359 E N 0.606 120.787 120.200 -0.032 0.000 2.110 359 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 359 E C 1.941 178.364 176.600 -0.294 0.000 0.988 359 E CA 1.152 57.492 56.400 -0.100 0.000 0.804 359 E CB -0.043 29.662 29.700 0.008 0.000 0.745 359 E HN 0.378 nan 8.360 nan 0.000 0.458 360 L N 0.517 121.513 121.223 -0.379 0.000 2.131 360 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 360 L C 2.905 179.479 176.870 -0.492 0.000 1.087 360 L CA 1.082 55.593 54.840 -0.549 0.000 0.767 360 L CB -0.408 41.316 42.059 -0.559 0.000 0.917 360 L HN 0.264 nan 8.230 nan 0.000 0.441 361 Q N 0.579 120.107 119.800 -0.454 0.000 2.084 361 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 361 Q C 1.984 177.840 176.000 -0.241 0.000 0.978 361 Q CA 1.678 57.267 55.803 -0.357 0.000 0.844 361 Q CB 0.071 28.623 28.738 -0.309 0.000 0.898 361 Q HN 0.506 nan 8.270 nan 0.000 0.426 362 E N 0.206 120.277 120.200 -0.215 0.000 2.110 362 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 362 E C 1.842 178.315 176.600 -0.211 0.000 0.988 362 E CA 1.039 57.342 56.400 -0.161 0.000 0.804 362 E CB 0.128 29.758 29.700 -0.117 0.000 0.745 362 E HN 0.262 nan 8.360 nan 0.000 0.458 363 K N -0.685 119.487 120.400 -0.380 0.000 2.432 363 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 363 K C 0.893 177.247 176.600 -0.409 0.000 1.038 363 K CA 0.504 56.460 56.287 -0.553 0.000 0.986 363 K CB 0.400 32.185 32.500 -1.192 0.000 0.782 363 K HN 0.240 nan 8.250 nan 0.000 0.485 364 G N 0.947 109.589 108.800 -0.262 0.000 2.182 364 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 364 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 364 G C 0.125 175.088 174.900 0.106 0.000 1.042 364 G CA -0.060 45.014 45.100 -0.044 0.000 0.775 364 G HN 0.245 nan 8.290 nan 0.000 0.501 365 Y N -0.563 119.645 120.300 -0.154 0.000 2.466 365 Y HA 0.420 4.970 4.550 -0.000 0.000 0.272 365 Y C 1.745 177.546 175.900 -0.165 0.000 1.169 365 Y CA -0.610 57.402 58.100 -0.146 0.000 1.285 365 Y CB 0.095 38.446 38.460 -0.182 0.000 1.078 365 Y HN 0.333 nan 8.280 nan 0.000 0.523 366 L N 0.402 121.572 121.223 -0.088 0.000 2.334 366 L HA 0.294 4.634 4.340 -0.000 0.000 0.275 366 L C -0.178 176.602 176.870 -0.150 0.000 1.036 366 L CA -1.312 53.411 54.840 -0.194 0.000 0.807 366 L CB 1.153 43.006 42.059 -0.343 0.000 1.231 366 L HN -0.171 nan 8.230 nan 0.000 0.438 367 L N 3.259 124.358 121.223 -0.208 0.000 2.601 367 L HA 0.002 4.342 4.340 -0.000 0.000 0.277 367 L C -0.101 176.642 176.870 -0.211 0.000 1.219 367 L CA 0.928 55.570 54.840 -0.331 0.000 0.915 367 L CB -0.279 41.425 42.059 -0.592 0.000 1.160 367 L HN 0.493 nan 8.230 nan 0.000 0.494 368 K N 5.101 125.379 120.400 -0.203 0.000 2.166 368 K HA 0.521 4.841 4.320 -0.000 0.000 0.245 368 K C -0.258 176.285 176.600 -0.094 0.000 0.967 368 K CA -0.939 55.290 56.287 -0.097 0.000 0.863 368 K CB 1.496 33.964 32.500 -0.052 0.000 1.107 368 K HN 0.555 nan 8.250 nan 0.000 0.436 369 R N 1.136 121.625 120.500 -0.018 0.000 2.615 369 R HA 0.073 4.413 4.340 -0.000 0.000 0.270 369 R C -1.757 174.533 176.300 -0.016 0.000 1.081 369 R CA -1.636 54.465 56.100 0.002 0.000 1.154 369 R CB 0.112 30.429 30.300 0.029 0.000 1.063 369 R HN 0.350 nan 8.270 nan 0.000 0.519 370 P HA -0.191 nan 4.420 nan 0.000 0.219 370 P C 0.403 177.703 177.300 -0.000 0.000 1.146 370 P CA 1.288 64.387 63.100 -0.002 0.000 0.808 370 P CB 0.094 31.799 31.700 0.009 0.000 0.779 371 D N -1.588 118.813 120.400 0.001 0.000 2.371 371 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 371 D C 1.503 177.801 176.300 -0.004 0.000 0.986 371 D CA 1.135 55.134 54.000 -0.000 0.000 0.899 371 D CB -0.822 39.978 40.800 -0.000 0.000 0.902 371 D HN 0.268 nan 8.370 nan 0.000 0.530 372 G N -0.071 108.725 108.800 -0.007 0.000 2.218 372 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 372 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 372 G C 0.401 175.293 174.900 -0.012 0.000 0.994 372 G CA 0.355 45.451 45.100 -0.007 0.000 0.637 372 G HN 0.829 nan 8.290 nan 0.000 0.505 373 S N 0.503 116.196 115.700 -0.013 0.000 2.614 373 S HA 0.724 5.194 4.470 -0.000 0.000 0.265 373 S C 0.612 175.201 174.600 -0.018 0.000 1.303 373 S CA -0.713 57.478 58.200 -0.016 0.000 1.000 373 S CB 1.231 64.421 63.200 -0.017 0.000 0.935 373 S HN 0.714 nan 8.310 nan 0.000 0.551 374 L N 1.107 122.318 121.223 -0.020 0.000 2.426 374 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 374 L C 0.123 176.992 176.870 -0.001 0.000 1.169 374 L CA -0.581 54.250 54.840 -0.015 0.000 0.836 374 L CB 0.199 42.254 42.059 -0.008 0.000 1.112 374 L HN 0.827 nan 8.230 nan 0.000 0.465 375 W N 4.502 125.708 121.300 -0.157 0.000 2.303 375 W HA 0.243 4.903 4.660 -0.000 0.000 0.318 375 W C -0.370 176.056 176.519 -0.156 0.000 1.362 375 W CA 0.023 57.257 57.345 -0.186 0.000 1.234 375 W CB 0.390 29.677 29.460 -0.290 0.000 1.248 375 W HN 0.443 nan 8.180 nan 0.000 0.546 376 Q N 5.781 125.055 119.800 -0.876 0.000 2.377 376 Q HA 0.363 4.703 4.340 -0.000 0.000 0.279 376 Q C -0.976 174.456 176.000 -0.947 0.000 1.049 376 Q CA -0.901 54.502 55.803 -0.665 0.000 0.825 376 Q CB 2.372 30.976 28.738 -0.224 0.000 1.401 376 Q HN 0.564 nan 8.270 nan 0.000 0.404 377 W N 0.365 121.203 121.300 -0.769 0.000 3.098 377 W HA 0.539 5.199 4.660 -0.000 0.000 0.367 377 W C -0.789 175.605 176.519 -0.208 0.000 1.163 377 W CA -0.975 56.101 57.345 -0.449 0.000 1.113 377 W CB -0.072 29.158 29.460 -0.383 0.000 1.501 377 W HN 0.465 nan 8.180 nan 0.000 0.598 378 D N 0.231 120.644 120.400 0.022 0.000 2.402 378 D HA 0.113 4.753 4.640 -0.000 0.000 0.216 378 D C -0.333 175.845 176.300 -0.203 0.000 1.128 378 D CA 0.048 53.995 54.000 -0.087 0.000 0.833 378 D CB 0.496 41.227 40.800 -0.114 0.000 0.971 378 D HN 0.143 nan 8.370 nan 0.000 0.503 379 K N 0.461 120.515 120.400 -0.577 0.000 2.350 379 K HA -0.003 4.316 4.320 -0.000 0.000 0.279 379 K C 0.660 177.312 176.600 0.088 0.000 1.027 379 K CA -0.169 55.837 56.287 -0.469 0.000 0.969 379 K CB 1.470 33.303 32.500 -1.112 0.000 0.954 379 K HN 0.140 nan 8.250 nan 0.000 0.474 380 W N 0.508 121.824 121.300 0.027 0.000 0.513 380 W HA -0.365 4.295 4.660 -0.000 0.000 0.215 380 W C -0.785 175.820 176.519 0.145 0.000 0.928 380 W CA 1.440 58.888 57.345 0.172 0.000 0.473 380 W CB -0.504 29.080 29.460 0.206 0.000 1.889 380 W HN 0.538 nan 8.180 nan 0.000 0.736 381 Q N 0.641 120.493 119.800 0.087 0.000 2.413 381 Q HA 0.442 4.782 4.340 -0.000 0.000 0.276 381 Q C -2.315 173.665 176.000 -0.032 0.000 1.099 381 Q CA -1.813 53.945 55.803 -0.076 0.000 0.814 381 Q CB 1.437 30.177 28.738 0.003 0.000 1.379 381 Q HN -0.115 nan 8.270 nan 0.000 0.436 382 P HA 0.049 nan 4.420 nan 0.000 0.267 382 P C 0.397 177.600 177.300 -0.161 0.000 1.205 382 P CA 0.697 63.673 63.100 -0.207 0.000 0.765 382 P CB 0.300 31.765 31.700 -0.392 0.000 0.828 383 G N 2.836 111.559 108.800 -0.128 0.000 2.305 383 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 383 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 383 G C -0.001 174.889 174.900 -0.017 0.000 1.036 383 G CA -0.166 44.852 45.100 -0.137 0.000 0.887 383 G HN 0.613 nan 8.290 nan 0.000 0.505 384 L N 0.027 121.325 121.223 0.124 0.000 2.490 384 L HA 0.553 4.893 4.340 -0.000 0.000 0.274 384 L C 0.691 177.723 176.870 0.271 0.000 1.201 384 L CA 0.372 55.369 54.840 0.262 0.000 0.869 384 L CB 0.575 42.874 42.059 0.400 0.000 1.123 384 L HN 0.572 nan 8.230 nan 0.000 0.484 385 A N 6.184 129.195 122.820 0.318 0.000 2.387 385 A HA 0.797 5.117 4.320 -0.000 0.000 0.303 385 A C -0.848 176.784 177.584 0.080 0.000 1.145 385 A CA -0.751 51.404 52.037 0.197 0.000 0.801 385 A CB 1.173 20.224 19.000 0.084 0.000 1.342 385 A HN 0.699 nan 8.150 nan 0.000 0.440 386 I N 0.361 120.907 120.570 -0.041 0.000 2.465 386 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 386 I C -1.227 174.787 176.117 -0.171 0.000 1.014 386 I CA -0.468 60.796 61.300 -0.058 0.000 1.093 386 I CB 1.629 39.483 38.000 -0.243 0.000 1.267 386 I HN 0.641 nan 8.210 nan 0.000 0.431 387 Y N 3.590 123.818 120.300 -0.121 0.000 2.544 387 Y HA -0.023 4.527 4.550 -0.000 0.000 0.330 387 Y C 0.685 176.300 175.900 -0.475 0.000 1.136 387 Y CA 0.141 58.037 58.100 -0.340 0.000 1.417 387 Y CB 0.184 38.288 38.460 -0.593 0.000 1.229 387 Y HN 0.426 nan 8.280 nan 0.000 0.532 388 D N 4.481 124.835 120.400 -0.077 0.000 2.441 388 D HA 0.062 4.702 4.640 -0.000 0.000 0.221 388 D C -0.106 176.297 176.300 0.173 0.000 1.156 388 D CA -0.095 53.992 54.000 0.146 0.000 0.896 388 D CB -0.263 40.618 40.800 0.134 0.000 1.028 388 D HN 0.511 nan 8.370 nan 0.000 0.509 389 F N 1.327 121.468 119.950 0.319 0.000 2.795 389 F HA -0.022 4.505 4.527 -0.000 0.000 0.303 389 F C 2.267 178.104 175.800 0.061 0.000 1.186 389 F CA 0.171 58.207 58.000 0.060 0.000 1.415 389 F CB 0.187 39.094 39.000 -0.156 0.000 1.106 389 F HN 0.332 nan 8.300 nan 0.000 0.558 390 T N -3.863 110.897 114.554 0.344 0.000 3.060 390 T HA 0.005 4.354 4.350 -0.000 0.000 0.249 390 T C 0.656 175.499 174.700 0.238 0.000 1.079 390 T CA -0.222 62.050 62.100 0.285 0.000 1.013 390 T CB -0.233 68.848 68.868 0.354 0.000 0.975 390 T HN -0.004 nan 8.240 nan 0.000 0.518 391 N N 2.620 121.346 118.700 0.044 0.000 2.420 391 N HA 0.281 5.021 4.740 -0.000 0.000 0.249 391 N C -2.109 173.212 175.510 -0.314 0.000 1.033 391 N CA -2.329 50.422 53.050 -0.499 0.000 0.944 391 N CB 1.875 40.003 38.487 -0.599 0.000 1.113 391 N HN -0.020 nan 8.380 nan 0.000 0.502 392 P HA -0.079 nan 4.420 nan 0.000 0.216 392 P C 0.332 177.535 177.300 -0.163 0.000 1.150 392 P CA 1.137 64.164 63.100 -0.121 0.000 0.837 392 P CB 0.481 32.154 31.700 -0.044 0.000 0.786 393 D N -0.907 119.330 120.400 -0.271 0.000 2.149 393 D HA -0.036 4.604 4.640 -0.000 0.000 0.201 393 D C 2.063 177.992 176.300 -0.619 0.000 0.972 393 D CA 1.282 55.105 54.000 -0.294 0.000 0.835 393 D CB -0.885 39.812 40.800 -0.171 0.000 0.966 393 D HN 0.022 nan 8.370 nan 0.000 0.476 394 A N 0.383 122.680 122.820 -0.872 0.000 1.908 394 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 394 A C 2.476 180.042 177.584 -0.030 0.000 1.181 394 A CA 1.381 53.012 52.037 -0.677 0.000 0.627 394 A CB -1.018 17.815 19.000 -0.279 0.000 0.818 394 A HN 0.349 nan 8.150 nan 0.000 0.445 395 C N -0.827 118.487 119.300 0.024 0.000 2.432 395 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 395 C C 2.702 177.731 174.990 0.065 0.000 1.249 395 C CA 1.336 60.411 59.018 0.096 0.000 1.725 395 C CB -0.978 26.762 27.740 -0.001 0.000 2.028 395 C HN 0.727 nan 8.230 nan 0.000 0.477 396 K N -0.649 119.760 120.400 0.015 0.000 2.009 396 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 396 K C 2.026 178.677 176.600 0.085 0.000 1.049 396 K CA 2.080 58.382 56.287 0.024 0.000 0.929 396 K CB -0.409 32.100 32.500 0.014 0.000 0.714 396 K HN 0.680 nan 8.250 nan 0.000 0.440 397 W N 0.494 121.768 121.300 -0.043 0.000 2.338 397 W HA -0.292 4.368 4.660 -0.000 0.000 0.304 397 W C 2.029 178.571 176.519 0.038 0.000 1.212 397 W CA 2.025 59.402 57.345 0.053 0.000 1.264 397 W CB -0.458 29.106 29.460 0.172 0.000 1.142 397 W HN 0.243 nan 8.180 nan 0.000 0.512 398 Y N 0.439 120.892 120.300 0.255 0.000 2.263 398 Y HA -0.075 4.474 4.550 -0.000 0.000 0.292 398 Y C 2.332 178.036 175.900 -0.327 0.000 1.130 398 Y CA 2.228 60.328 58.100 0.000 0.000 1.179 398 Y CB -0.725 37.832 38.460 0.161 0.000 0.998 398 Y HN -0.031 nan 8.280 nan 0.000 0.532 399 A N 0.017 122.832 122.820 -0.008 0.000 1.930 399 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 399 A C 1.816 179.243 177.584 -0.262 0.000 1.175 399 A CA 1.924 53.877 52.037 -0.140 0.000 0.627 399 A CB -0.688 18.260 19.000 -0.086 0.000 0.815 399 A HN 0.498 nan 8.150 nan 0.000 0.443 400 D N -0.060 120.177 120.400 -0.271 0.000 2.144 400 D HA -0.103 4.536 4.640 -0.000 0.000 0.200 400 D C 1.849 177.888 176.300 -0.436 0.000 0.978 400 D CA 0.950 54.771 54.000 -0.299 0.000 0.833 400 D CB -0.134 40.510 40.800 -0.259 0.000 0.961 400 D HN 0.190 nan 8.370 nan 0.000 0.470 401 K N 0.541 120.513 120.400 -0.714 0.000 2.063 401 K HA -0.056 4.263 4.320 -0.000 0.000 0.208 401 K C 2.354 178.488 176.600 -0.776 0.000 1.048 401 K CA 0.439 56.181 56.287 -0.907 0.000 0.928 401 K CB -0.630 30.881 32.500 -1.648 0.000 0.713 401 K HN 0.273 nan 8.250 nan 0.000 0.442 402 L N 0.727 121.467 121.223 -0.805 0.000 2.056 402 L HA -0.142 4.197 4.340 -0.000 0.000 0.207 402 L C 2.426 179.189 176.870 -0.178 0.000 1.078 402 L CA 1.180 55.688 54.840 -0.554 0.000 0.749 402 L CB -0.354 41.304 42.059 -0.669 0.000 0.901 402 L HN 0.150 nan 8.230 nan 0.000 0.433 403 K N 0.197 120.483 120.400 -0.189 0.000 2.063 403 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 403 K C 2.133 178.689 176.600 -0.073 0.000 1.048 403 K CA 1.375 57.605 56.287 -0.095 0.000 0.928 403 K CB -0.523 31.910 32.500 -0.113 0.000 0.713 403 K HN 0.416 nan 8.250 nan 0.000 0.442 404 G N 1.369 110.096 108.800 -0.121 0.000 2.440 404 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.218 404 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.218 404 G C 1.459 176.363 174.900 0.006 0.000 1.154 404 G CA 0.787 45.846 45.100 -0.069 0.000 0.767 404 G HN 0.124 nan 8.290 nan 0.000 0.552 405 L N 0.143 121.397 121.223 0.051 0.000 2.056 405 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 405 L C 2.991 179.908 176.870 0.079 0.000 1.078 405 L CA 0.295 55.222 54.840 0.145 0.000 0.749 405 L CB -0.504 41.726 42.059 0.285 0.000 0.901 405 L HN 0.081 nan 8.230 nan 0.000 0.433 406 V N 0.369 120.337 119.914 0.090 0.000 2.332 406 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 406 V C 2.747 178.818 176.094 -0.038 0.000 1.055 406 V CA 1.855 64.155 62.300 0.000 0.000 1.038 406 V CB -0.990 30.846 31.823 0.022 0.000 0.651 406 V HN 0.493 nan 8.190 nan 0.000 0.450 407 A N 0.026 122.830 122.820 -0.028 0.000 2.070 407 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 407 A C 2.154 179.704 177.584 -0.056 0.000 1.159 407 A CA 1.912 53.922 52.037 -0.044 0.000 0.656 407 A CB -0.537 18.439 19.000 -0.040 0.000 0.800 407 A HN 0.662 nan 8.150 nan 0.000 0.453 408 M N -1.876 117.693 119.600 -0.052 0.000 2.494 408 M HA 0.357 4.837 4.480 -0.000 0.000 0.232 408 M C 0.969 177.193 176.300 -0.128 0.000 1.137 408 M CA 1.118 56.366 55.300 -0.088 0.000 1.012 408 M CB 0.230 32.787 32.600 -0.071 0.000 1.567 408 M HN 0.565 nan 8.290 nan 0.000 0.486 409 G N 0.789 109.519 108.800 -0.118 0.000 2.179 409 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 409 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 409 G C -0.174 174.625 174.900 -0.168 0.000 0.990 409 G CA -0.017 44.996 45.100 -0.145 0.000 0.646 409 G HN 0.357 nan 8.290 nan 0.000 0.517 410 V N 1.954 121.771 119.914 -0.163 0.000 2.572 410 V HA 0.246 4.366 4.120 -0.000 0.000 0.291 410 V C 1.104 177.015 176.094 -0.306 0.000 1.039 410 V CA 0.648 62.806 62.300 -0.236 0.000 1.055 410 V CB 1.409 33.083 31.823 -0.249 0.000 0.969 410 V HN 0.315 nan 8.190 nan 0.000 0.482 411 D N 2.396 122.602 120.400 -0.322 0.000 2.301 411 D HA 0.102 4.741 4.640 -0.000 0.000 0.206 411 D C 0.505 176.666 176.300 -0.232 0.000 0.979 411 D CA 0.928 54.763 54.000 -0.275 0.000 0.874 411 D CB 0.663 41.246 40.800 -0.362 0.000 0.968 411 D HN 0.760 nan 8.370 nan 0.000 0.510 412 C N -1.537 117.539 119.300 -0.373 0.000 3.314 412 C HA 0.740 5.200 4.460 -0.000 0.000 0.344 412 C C -1.514 173.117 174.990 -0.598 0.000 1.461 412 C CA -1.379 57.444 59.018 -0.325 0.000 1.249 412 C CB 0.706 28.545 27.740 0.165 0.000 1.632 412 C HN -0.028 nan 8.230 nan 0.000 0.452 413 F N 0.613 120.657 119.950 0.156 0.000 2.551 413 F HA 0.619 5.146 4.527 -0.000 0.000 0.316 413 F C 0.141 176.026 175.800 0.141 0.000 1.089 413 F CA -0.634 57.448 58.000 0.138 0.000 0.915 413 F CB 1.705 40.761 39.000 0.094 0.000 1.186 413 F HN 0.745 nan 8.300 nan 0.000 0.456 414 K N 1.991 122.583 120.400 0.319 0.000 2.273 414 K HA 0.251 4.571 4.320 -0.000 0.000 0.287 414 K C -0.506 176.146 176.600 0.088 0.000 1.089 414 K CA -0.316 56.056 56.287 0.142 0.000 0.909 414 K CB 0.478 32.972 32.500 -0.010 0.000 1.123 414 K HN 0.749 nan 8.250 nan 0.000 0.473 415 T N 1.328 115.925 114.554 0.071 0.000 2.997 415 T HA 0.107 4.457 4.350 -0.000 0.000 0.311 415 T C -0.133 174.613 174.700 0.077 0.000 1.079 415 T CA -0.917 61.166 62.100 -0.027 0.000 0.982 415 T CB 0.407 69.049 68.868 -0.378 0.000 1.032 415 T HN 0.426 nan 8.240 nan 0.000 0.581 416 D N 1.495 121.921 120.400 0.043 0.000 2.348 416 D HA 0.557 5.197 4.640 -0.000 0.000 0.249 416 D C 0.508 176.911 176.300 0.173 0.000 1.110 416 D CA -0.716 53.337 54.000 0.089 0.000 0.967 416 D CB 0.297 41.140 40.800 0.071 0.000 1.139 416 D HN 0.444 nan 8.370 nan 0.000 0.466 417 F N -0.213 119.708 119.950 -0.049 0.000 2.183 417 F HA -0.118 4.409 4.527 -0.000 0.000 0.318 417 F C 1.694 177.543 175.800 0.082 0.000 0.132 417 F CA 1.181 59.151 58.000 -0.050 0.000 0.912 417 F CB -1.350 37.490 39.000 -0.267 0.000 4.135 417 F HN 0.594 nan 8.300 nan 0.000 0.137 418 G N -1.082 107.909 108.800 0.319 0.000 2.179 418 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 418 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 418 G C 0.572 175.650 174.900 0.297 0.000 0.990 418 G CA 0.661 45.969 45.100 0.347 0.000 0.646 418 G HN 0.981 nan 8.290 nan 0.000 0.517 419 E N 0.803 121.167 120.200 0.274 0.000 2.127 419 E HA 0.106 4.456 4.350 -0.000 0.000 0.191 419 E C 1.500 178.113 176.600 0.021 0.000 0.964 419 E CA 0.123 56.592 56.400 0.114 0.000 0.832 419 E CB -0.424 29.379 29.700 0.171 0.000 0.790 419 E HN 0.457 nan 8.360 nan 0.000 0.465 420 R N 1.726 122.362 120.500 0.226 0.000 4.576 420 R HA 0.180 4.520 4.340 -0.000 0.000 0.185 420 R C -0.254 176.001 176.300 -0.076 0.000 1.837 420 R CA -0.093 56.142 56.100 0.225 0.000 1.520 420 R CB -0.299 30.290 30.300 0.481 0.000 1.403 420 R HN 0.108 nan 8.270 nan 0.000 0.831 421 I N 4.026 124.476 120.570 -0.202 0.000 2.337 421 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 421 I C -1.581 174.446 176.117 -0.151 0.000 1.046 421 I CA -3.014 58.090 61.300 -0.326 0.000 1.324 421 I CB 0.507 38.297 38.000 -0.349 0.000 1.409 421 I HN 0.069 nan 8.210 nan 0.000 0.494 422 P HA 0.158 nan 4.420 nan 0.000 0.274 422 P C 0.471 177.685 177.300 -0.145 0.000 1.237 422 P CA -0.060 62.786 63.100 -0.423 0.000 0.793 422 P CB 1.010 32.053 31.700 -1.095 0.000 0.977 423 T N -3.624 110.948 114.554 0.030 0.000 3.014 423 T HA 0.009 4.359 4.350 -0.000 0.000 0.250 423 T C 0.544 175.281 174.700 0.063 0.000 1.060 423 T CA -0.040 62.135 62.100 0.126 0.000 1.040 423 T CB -0.527 68.471 68.868 0.217 0.000 0.971 423 T HN 0.404 nan 8.240 nan 0.000 0.497 424 D N 2.518 122.936 120.400 0.031 0.000 2.688 424 D HA 0.369 5.009 4.640 -0.000 0.000 0.228 424 D C 0.025 176.326 176.300 0.002 0.000 1.116 424 D CA -0.386 53.644 54.000 0.050 0.000 1.023 424 D CB 0.338 41.199 40.800 0.101 0.000 1.100 424 D HN 0.355 nan 8.370 nan 0.000 0.487 425 V N -0.530 119.346 119.914 -0.063 0.000 3.206 425 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 425 V C -2.043 173.960 176.094 -0.151 0.000 1.257 425 V CA -0.902 61.288 62.300 -0.185 0.000 1.057 425 V CB 2.523 34.049 31.823 -0.494 0.000 1.075 425 V HN 0.294 nan 8.190 nan 0.000 0.443 426 Q N 2.247 121.927 119.800 -0.201 0.000 2.339 426 Q HA 0.386 4.726 4.340 -0.000 0.000 0.268 426 Q C -1.764 174.159 176.000 -0.129 0.000 1.027 426 Q CA -0.543 55.211 55.803 -0.083 0.000 0.759 426 Q CB 1.302 30.023 28.738 -0.028 0.000 1.244 426 Q HN 0.758 nan 8.270 nan 0.000 0.464 427 W N 2.730 124.061 121.300 0.051 0.000 2.170 427 W HA 0.088 4.748 4.660 -0.000 0.000 0.336 427 W C 1.160 177.760 176.519 0.135 0.000 1.283 427 W CA -0.416 56.988 57.345 0.097 0.000 1.224 427 W CB 0.343 29.867 29.460 0.107 0.000 1.132 427 W HN 0.719 nan 8.180 nan 0.000 0.571 428 F N 2.522 122.645 119.950 0.287 0.000 2.120 428 F HA -0.350 4.177 4.527 -0.000 0.000 0.300 428 F C 2.215 178.122 175.800 0.178 0.000 1.095 428 F CA 2.411 60.525 58.000 0.189 0.000 1.249 428 F CB -0.084 39.025 39.000 0.181 0.000 0.995 428 F HN 0.400 nan 8.300 nan 0.000 0.480 429 D N -0.819 119.811 120.400 0.384 0.000 2.349 429 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 429 D C 1.743 178.116 176.300 0.121 0.000 1.029 429 D CA 0.865 54.993 54.000 0.214 0.000 0.879 429 D CB -0.433 40.526 40.800 0.265 0.000 0.906 429 D HN 0.475 nan 8.370 nan 0.000 0.528 430 G N -0.197 108.694 108.800 0.152 0.000 2.179 430 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 430 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 430 G C 0.426 175.404 174.900 0.129 0.000 0.977 430 G CA 0.241 45.410 45.100 0.113 0.000 0.641 430 G HN 0.442 nan 8.290 nan 0.000 0.533 431 S N 0.667 116.450 115.700 0.139 0.000 2.553 431 S HA 0.186 4.656 4.470 -0.000 0.000 0.293 431 S C 0.538 175.202 174.600 0.106 0.000 1.296 431 S CA 0.516 58.749 58.200 0.055 0.000 1.046 431 S CB 0.641 63.792 63.200 -0.081 0.000 0.810 431 S HN 0.486 nan 8.310 nan 0.000 0.505 432 D N 2.791 123.219 120.400 0.047 0.000 2.368 432 D HA 0.105 4.745 4.640 -0.000 0.000 0.268 432 D C -1.552 174.828 176.300 0.134 0.000 1.298 432 D CA -1.865 52.188 54.000 0.090 0.000 0.938 432 D CB 0.839 41.670 40.800 0.052 0.000 1.101 432 D HN 0.109 nan 8.370 nan 0.000 0.509 433 P HA -0.160 nan 4.420 nan 0.000 0.218 433 P C 1.161 178.640 177.300 0.298 0.000 1.146 433 P CA 0.950 64.273 63.100 0.373 0.000 0.813 433 P CB 0.294 32.204 31.700 0.350 0.000 0.778 434 Q N -0.512 119.436 119.800 0.246 0.000 2.230 434 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 434 Q C 1.812 177.997 176.000 0.309 0.000 0.963 434 Q CA 1.230 57.225 55.803 0.320 0.000 0.866 434 Q CB -0.227 28.643 28.738 0.220 0.000 0.931 434 Q HN 0.418 nan 8.270 nan 0.000 0.452 435 K N -0.533 119.964 120.400 0.162 0.000 2.211 435 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 435 K C 2.000 178.631 176.600 0.052 0.000 1.052 435 K CA 0.254 56.586 56.287 0.075 0.000 0.973 435 K CB 0.135 32.604 32.500 -0.051 0.000 0.766 435 K HN 0.059 nan 8.250 nan 0.000 0.466 436 M N 0.390 119.987 119.600 -0.005 0.000 2.213 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.032 178.341 176.300 0.015 0.000 1.062 436 M CA 1.629 56.855 55.300 -0.123 0.000 1.105 436 M CB -0.957 31.291 32.600 -0.586 0.000 1.385 436 M HN 0.246 nan 8.290 nan 0.000 0.417 437 H N 1.022 120.077 119.070 -0.026 0.000 2.292 437 H HA -0.189 4.367 4.556 -0.000 0.000 0.292 437 H C 1.779 177.003 175.328 -0.173 0.000 1.100 437 H CA 2.587 58.520 56.048 -0.193 0.000 1.238 437 H CB 0.112 29.501 29.762 -0.622 0.000 1.355 437 H HN 0.327 nan 8.280 nan 0.000 0.484 438 N N -1.134 117.522 118.700 -0.073 0.000 2.305 438 N HA -0.101 4.639 4.740 -0.000 0.000 0.179 438 N C 1.811 177.421 175.510 0.167 0.000 1.019 438 N CA 1.138 54.201 53.050 0.021 0.000 0.869 438 N CB -0.531 38.078 38.487 0.203 0.000 1.000 438 N HN 0.484 nan 8.380 nan 0.000 0.431 439 H N -0.259 118.870 119.070 0.098 0.000 2.489 439 H HA -0.069 4.487 4.556 -0.000 0.000 0.293 439 H C 1.730 177.157 175.328 0.164 0.000 1.066 439 H CA 1.135 57.263 56.048 0.134 0.000 1.305 439 H CB -0.257 29.525 29.762 0.033 0.000 1.386 439 H HN 0.249 nan 8.280 nan 0.000 0.551 440 Y N 0.329 120.602 120.300 -0.046 0.000 2.151 440 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 440 Y C 2.574 178.522 175.900 0.079 0.000 1.166 440 Y CA 1.944 60.024 58.100 -0.033 0.000 1.163 440 Y CB -0.707 37.736 38.460 -0.028 0.000 0.974 440 Y HN 0.315 nan 8.280 nan 0.000 0.511 441 A N -0.792 122.173 122.820 0.242 0.000 1.940 441 A HA -0.276 4.043 4.320 -0.000 0.000 0.219 441 A C 2.107 179.752 177.584 0.102 0.000 1.176 441 A CA 1.860 54.042 52.037 0.241 0.000 0.631 441 A CB -1.466 17.664 19.000 0.216 0.000 0.814 441 A HN 0.754 nan 8.150 nan 0.000 0.446 442 Y N 0.269 120.523 120.300 -0.076 0.000 2.153 442 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 442 Y C 2.064 177.825 175.900 -0.232 0.000 1.127 442 Y CA 1.558 59.589 58.100 -0.114 0.000 1.131 442 Y CB -0.096 38.239 38.460 -0.208 0.000 0.995 442 Y HN 0.211 nan 8.280 nan 0.000 0.505 443 I N 0.203 120.599 120.570 -0.290 0.000 2.226 443 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 443 I C 2.382 178.199 176.117 -0.501 0.000 1.100 443 I CA 1.661 62.753 61.300 -0.346 0.000 1.374 443 I CB -1.716 36.130 38.000 -0.256 0.000 1.057 443 I HN 0.445 nan 8.210 nan 0.000 0.413 444 Y N 2.206 122.115 120.300 -0.652 0.000 2.070 444 Y HA -0.317 4.233 4.550 -0.000 0.000 0.280 444 Y C 2.575 178.140 175.900 -0.557 0.000 1.148 444 Y CA 1.774 59.457 58.100 -0.694 0.000 1.125 444 Y CB -0.121 38.107 38.460 -0.386 0.000 0.975 444 Y HN 0.208 nan 8.280 nan 0.000 0.492 445 N N 0.518 118.851 118.700 -0.612 0.000 2.309 445 N HA -0.202 4.537 4.740 -0.000 0.000 0.182 445 N C 1.756 176.727 175.510 -0.898 0.000 1.018 445 N CA 1.429 54.056 53.050 -0.704 0.000 0.876 445 N CB -0.292 37.941 38.487 -0.424 0.000 0.972 445 N HN 0.619 nan 8.380 nan 0.000 0.434 446 E N 1.303 120.850 120.200 -1.088 0.000 2.106 446 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 446 E C 2.154 178.337 176.600 -0.695 0.000 0.984 446 E CA 0.481 56.097 56.400 -1.306 0.000 0.806 446 E CB -0.014 29.119 29.700 -0.945 0.000 0.750 446 E HN 0.266 nan 8.360 nan 0.000 0.458 447 L N 0.417 121.293 121.223 -0.578 0.000 2.056 447 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 447 L C 2.251 178.929 176.870 -0.319 0.000 1.078 447 L CA 0.866 55.445 54.840 -0.436 0.000 0.749 447 L CB -0.045 41.649 42.059 -0.608 0.000 0.901 447 L HN 0.084 nan 8.230 nan 0.000 0.433 448 V N -0.599 119.117 119.914 -0.330 0.000 2.358 448 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 448 V C 2.123 178.163 176.094 -0.091 0.000 1.047 448 V CA 2.053 64.239 62.300 -0.190 0.000 1.035 448 V CB -0.858 30.856 31.823 -0.181 0.000 0.658 448 V HN 0.715 nan 8.190 nan 0.000 0.452 449 W N 1.387 122.459 121.300 -0.380 0.000 2.388 449 W HA -0.160 4.499 4.660 -0.000 0.000 0.294 449 W C 2.120 178.524 176.519 -0.192 0.000 1.212 449 W CA 1.679 58.850 57.345 -0.290 0.000 1.271 449 W CB -0.367 28.769 29.460 -0.541 0.000 1.126 449 W HN 0.333 nan 8.180 nan 0.000 0.535 450 N N 0.641 119.301 118.700 -0.068 0.000 2.309 450 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 450 N C 1.749 177.184 175.510 -0.125 0.000 1.018 450 N CA 1.472 54.473 53.050 -0.081 0.000 0.876 450 N CB -0.704 37.746 38.487 -0.062 0.000 0.972 450 N HN 0.035 nan 8.380 nan 0.000 0.434 451 V N 0.783 120.622 119.914 -0.126 0.000 2.307 451 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 451 V C 2.209 178.250 176.094 -0.087 0.000 1.045 451 V CA 0.978 63.222 62.300 -0.094 0.000 1.024 451 V CB -0.349 31.422 31.823 -0.087 0.000 0.651 451 V HN 0.172 nan 8.190 nan 0.000 0.449 452 L N 0.329 121.482 121.223 -0.116 0.000 2.012 452 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 452 L C 2.434 179.158 176.870 -0.243 0.000 1.073 452 L CA 2.208 56.945 54.840 -0.171 0.000 0.748 452 L CB -1.168 40.725 42.059 -0.277 0.000 0.891 452 L HN 0.391 nan 8.230 nan 0.000 0.431 453 K N -0.606 119.589 120.400 -0.341 0.000 2.103 453 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 453 K C 1.221 177.745 176.600 -0.127 0.000 1.048 453 K CA 1.805 57.938 56.287 -0.256 0.000 0.930 453 K CB -0.028 32.328 32.500 -0.239 0.000 0.716 453 K HN 0.271 nan 8.250 nan 0.000 0.444 454 D N -0.529 119.808 120.400 -0.104 0.000 2.349 454 D HA -0.034 4.606 4.640 -0.000 0.000 0.215 454 D C 1.364 177.628 176.300 -0.060 0.000 1.016 454 D CA 1.186 55.147 54.000 -0.065 0.000 0.870 454 D CB 0.681 41.447 40.800 -0.056 0.000 0.917 454 D HN 0.525 nan 8.370 nan 0.000 0.524 455 T N -2.464 112.049 114.554 -0.069 0.000 3.311 455 T HA -0.004 4.346 4.350 -0.000 0.000 0.239 455 T C 1.999 176.666 174.700 -0.056 0.000 0.976 455 T CA 0.662 62.729 62.100 -0.055 0.000 1.283 455 T CB -0.644 68.198 68.868 -0.044 0.000 1.113 455 T HN -0.032 nan 8.240 nan 0.000 0.392 456 V N -0.151 119.723 119.914 -0.066 0.000 2.951 456 V HA 0.581 4.701 4.120 -0.000 0.000 0.255 456 V C 1.281 177.346 176.094 -0.048 0.000 1.088 456 V CA 0.401 62.669 62.300 -0.054 0.000 1.109 456 V CB -1.342 30.454 31.823 -0.046 0.000 0.724 456 V HN 1.267 nan 8.190 nan 0.000 0.471 457 G N -0.008 108.746 108.800 -0.077 0.000 2.674 457 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 457 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 457 G C 0.017 174.853 174.900 -0.106 0.000 1.195 457 G CA 0.128 45.187 45.100 -0.068 0.000 0.776 457 G HN 0.367 nan 8.290 nan 0.000 0.654 458 E N 0.160 120.307 120.200 -0.089 0.000 2.147 458 E HA -0.252 4.097 4.350 -0.000 0.000 0.199 458 E C 2.109 178.676 176.600 -0.055 0.000 1.005 458 E CA 2.253 58.599 56.400 -0.090 0.000 0.810 458 E CB 0.067 29.786 29.700 0.031 0.000 0.736 458 E HN 0.673 nan 8.360 nan 0.000 0.460 459 E N 0.248 120.447 120.200 -0.002 0.000 2.274 459 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 459 E C 1.397 178.014 176.600 0.028 0.000 0.996 459 E CA 0.748 57.172 56.400 0.040 0.000 0.840 459 E CB 0.092 29.828 29.700 0.060 0.000 0.772 459 E HN 0.211 nan 8.360 nan 0.000 0.491 460 E N 0.243 120.445 120.200 0.003 0.000 2.474 460 E HA 0.219 4.569 4.350 -0.000 0.000 0.195 460 E C 0.042 176.627 176.600 -0.026 0.000 1.039 460 E CA 0.107 56.550 56.400 0.072 0.000 0.881 460 E CB 0.499 30.278 29.700 0.131 0.000 0.970 460 E HN 0.193 nan 8.360 nan 0.000 0.486 461 A N 1.414 124.090 122.820 -0.240 0.000 2.409 461 A HA 0.416 4.736 4.320 -0.000 0.000 0.262 461 A C -0.100 177.280 177.584 -0.340 0.000 1.113 461 A CA -0.159 51.566 52.037 -0.519 0.000 0.790 461 A CB 0.750 18.966 19.000 -1.307 0.000 1.046 461 A HN 0.022 nan 8.150 nan 0.000 0.496 462 V N 4.001 123.845 119.914 -0.117 0.000 3.120 462 V HA 0.686 4.806 4.120 -0.000 0.000 0.303 462 V C -1.125 175.096 176.094 0.211 0.000 1.238 462 V CA -0.574 61.785 62.300 0.099 0.000 1.008 462 V CB 2.024 33.811 31.823 -0.059 0.000 1.064 462 V HN 0.897 nan 8.190 nan 0.000 0.434 463 L N 3.691 125.044 121.223 0.216 0.000 2.277 463 L HA 0.668 5.008 4.340 -0.000 0.000 0.254 463 L C -1.596 175.330 176.870 0.093 0.000 1.044 463 L CA -0.666 54.284 54.840 0.183 0.000 0.842 463 L CB 2.421 44.560 42.059 0.132 0.000 1.422 463 L HN 0.600 nan 8.230 nan 0.000 0.422 464 F N 1.150 121.019 119.950 -0.134 0.000 2.552 464 F HA 0.602 5.129 4.527 -0.000 0.000 0.369 464 F C 0.026 175.842 175.800 0.026 0.000 1.112 464 F CA -0.549 57.317 58.000 -0.224 0.000 1.129 464 F CB 1.389 40.088 39.000 -0.501 0.000 1.360 464 F HN 0.339 nan 8.300 nan 0.000 0.473 465 A N 4.293 127.067 122.820 -0.076 0.000 2.304 465 A HA 0.573 4.892 4.320 -0.000 0.000 0.323 465 A C 0.994 178.447 177.584 -0.219 0.000 1.195 465 A CA -0.565 51.384 52.037 -0.146 0.000 0.826 465 A CB 1.049 19.769 19.000 -0.467 0.000 1.184 465 A HN 0.848 nan 8.150 nan 0.000 0.496 466 R N 1.198 121.504 120.500 -0.323 0.000 2.080 466 R HA 0.021 4.361 4.340 -0.000 0.000 0.222 466 R C 0.967 177.010 176.300 -0.427 0.000 1.107 466 R CA 1.495 57.090 56.100 -0.842 0.000 0.980 466 R CB 0.026 29.700 30.300 -1.043 0.000 0.879 466 R HN 0.842 nan 8.270 nan 0.000 0.439 467 S N -1.042 114.578 115.700 -0.133 0.000 2.747 467 S HA 0.845 5.315 4.470 -0.000 0.000 0.300 467 S C -0.597 174.070 174.600 0.112 0.000 1.121 467 S CA -0.462 57.755 58.200 0.028 0.000 0.995 467 S CB 2.288 65.557 63.200 0.115 0.000 1.113 467 S HN 0.288 nan 8.310 nan 0.000 0.547 468 A N -0.080 122.812 122.820 0.119 0.000 2.566 468 A HA 0.855 5.175 4.320 -0.000 0.000 0.290 468 A C -0.527 177.166 177.584 0.182 0.000 1.071 468 A CA -0.319 51.822 52.037 0.174 0.000 0.658 468 A CB 0.897 19.908 19.000 0.018 0.000 1.285 468 A HN 1.558 nan 8.150 nan 0.000 0.427 469 S N -1.090 114.768 115.700 0.264 0.000 2.672 469 S HA 0.596 5.066 4.470 -0.000 0.000 0.271 469 S C -1.074 173.639 174.600 0.189 0.000 1.171 469 S CA -0.092 58.259 58.200 0.251 0.000 0.817 469 S CB 1.099 64.484 63.200 0.308 0.000 1.150 469 S HN 1.629 nan 8.310 nan 0.000 0.478 470 V N 2.713 122.605 119.914 -0.037 0.000 2.557 470 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 470 V C 1.789 177.709 176.094 -0.290 0.000 1.026 470 V CA 1.934 64.027 62.300 -0.346 0.000 1.137 470 V CB -0.110 31.054 31.823 -1.100 0.000 0.917 470 V HN 1.604 nan 8.190 nan 0.000 0.484 471 G N 4.375 112.988 108.800 -0.312 0.000 2.258 471 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.233 471 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.233 471 G C 0.989 175.795 174.900 -0.156 0.000 1.006 471 G CA 0.287 45.222 45.100 -0.274 0.000 0.620 471 G HN 1.358 nan 8.290 nan 0.000 0.511 472 A N 1.045 123.903 122.820 0.063 0.000 2.172 472 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 472 A C 2.213 179.667 177.584 -0.217 0.000 1.154 472 A CA 2.145 54.221 52.037 0.065 0.000 0.701 472 A CB -0.365 18.865 19.000 0.384 0.000 0.789 472 A HN 1.000 nan 8.150 nan 0.000 0.465 473 Q N 0.798 120.190 119.800 -0.680 0.000 2.439 473 Q HA -0.167 4.173 4.340 -0.000 0.000 0.211 473 Q C 0.997 176.623 176.000 -0.624 0.000 0.978 473 Q CA 1.678 56.941 55.803 -0.900 0.000 0.897 473 Q CB -0.518 27.321 28.738 -1.499 0.000 0.956 473 Q HN 0.670 nan 8.270 nan 0.000 0.483 474 K N 0.053 119.910 120.400 -0.905 0.000 2.504 474 K HA 0.022 4.342 4.320 -0.000 0.000 0.195 474 K C -0.354 175.467 176.600 -1.300 0.000 1.036 474 K CA 0.349 55.989 56.287 -1.078 0.000 0.984 474 K CB 0.132 31.847 32.500 -1.308 0.000 0.788 474 K HN 0.142 nan 8.250 nan 0.000 0.488 475 F N 1.400 120.945 119.950 -0.675 0.000 2.530 475 F HA 0.291 4.818 4.527 -0.000 0.000 0.318 475 F C -2.293 173.251 175.800 -0.426 0.000 1.356 475 F CA -3.684 53.716 58.000 -1.000 0.000 1.135 475 F CB -0.032 38.554 39.000 -0.690 0.000 1.315 475 F HN -0.161 nan 8.300 nan 0.000 0.549 476 P HA 0.062 nan 4.420 nan 0.000 0.272 476 P C 0.320 177.543 177.300 -0.129 0.000 1.254 476 P CA 0.122 63.215 63.100 -0.011 0.000 0.795 476 P CB 1.190 32.887 31.700 -0.005 0.000 1.022 477 V N -1.120 118.629 119.914 -0.274 0.000 4.079 477 V HA -0.231 3.889 4.120 -0.000 0.000 0.492 477 V C -1.432 174.309 176.094 -0.588 0.000 0.683 477 V CA 0.777 62.781 62.300 -0.494 0.000 1.948 477 V CB -2.183 29.067 31.823 -0.955 0.000 2.331 477 V HN 0.635 nan 8.190 nan 0.000 0.505 478 H N 5.949 124.870 119.070 -0.250 0.000 2.459 478 H HA 0.720 5.276 4.556 -0.000 0.000 0.332 478 H C -0.025 175.101 175.328 -0.336 0.000 1.094 478 H CA 0.541 56.472 56.048 -0.195 0.000 1.224 478 H CB 1.270 31.004 29.762 -0.047 0.000 1.449 478 H HN 1.069 nan 8.280 nan 0.000 0.484 479 W N 2.728 123.713 121.300 -0.524 0.000 2.639 479 W HA 0.527 5.187 4.660 -0.000 0.000 0.347 479 W C 0.440 176.795 176.519 -0.273 0.000 1.067 479 W CA -1.303 55.669 57.345 -0.621 0.000 1.218 479 W CB 1.043 30.112 29.460 -0.652 0.000 1.393 479 W HN 0.624 nan 8.180 nan 0.000 0.557 480 G N 1.957 110.549 108.800 -0.346 0.000 2.882 480 G HA2 0.340 4.299 3.960 -0.000 0.000 0.206 480 G HA3 0.340 4.299 3.960 -0.000 0.000 0.206 480 G C 0.759 175.609 174.900 -0.082 0.000 1.155 480 G CA 0.505 45.671 45.100 0.111 0.000 0.800 480 G HN 1.584 nan 8.290 nan 0.000 0.524 481 G N 0.383 108.702 108.800 -0.803 0.000 2.553 481 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 481 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 481 G C -0.674 174.171 174.900 -0.092 0.000 1.277 481 G CA -0.100 44.629 45.100 -0.620 0.000 0.910 481 G HN 0.213 nan 8.290 nan 0.000 0.576 482 D N 1.599 121.940 120.400 -0.097 0.000 2.522 482 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 482 D C 1.211 177.603 176.300 0.152 0.000 1.149 482 D CA 0.449 54.351 54.000 -0.164 0.000 0.981 482 D CB -0.643 40.020 40.800 -0.227 0.000 1.041 482 D HN 0.856 nan 8.370 nan 0.000 0.518 483 C N 0.431 119.878 119.300 0.245 0.000 2.422 483 C HA 0.560 5.020 4.460 -0.000 0.000 0.364 483 C C 0.536 175.728 174.990 0.337 0.000 1.251 483 C CA -1.046 58.190 59.018 0.364 0.000 2.441 483 C CB -0.265 27.776 27.740 0.502 0.000 2.393 483 C HN 0.393 nan 8.230 nan 0.000 0.606 484 Y N -0.181 120.314 120.300 0.325 0.000 2.432 484 Y HA 0.493 5.043 4.550 -0.000 0.000 0.322 484 Y C 0.956 177.057 175.900 0.335 0.000 1.246 484 Y CA -0.293 57.972 58.100 0.275 0.000 1.268 484 Y CB 1.136 39.725 38.460 0.216 0.000 1.276 484 Y HN 0.890 nan 8.280 nan 0.000 0.499 485 A N 2.920 125.943 122.820 0.340 0.000 3.168 485 A HA 0.318 4.638 4.320 -0.000 0.000 0.260 485 A C -0.834 176.934 177.584 0.307 0.000 1.598 485 A CA -0.261 51.943 52.037 0.278 0.000 1.285 485 A CB -1.649 17.416 19.000 0.108 0.000 1.149 485 A HN 0.757 nan 8.150 nan 0.000 0.630 486 N N -2.613 116.334 118.700 0.411 0.000 2.708 486 N HA 0.363 5.103 4.740 -0.000 0.000 0.257 486 N C -0.158 175.481 175.510 0.216 0.000 1.373 486 N CA -0.804 52.362 53.050 0.193 0.000 0.843 486 N CB 0.309 38.914 38.487 0.197 0.000 1.503 486 N HN -0.088 nan 8.380 nan 0.000 0.504 487 Y N -0.029 120.447 120.300 0.292 0.000 2.224 487 Y HA -0.027 4.523 4.550 -0.000 0.000 0.289 487 Y C 1.697 177.707 175.900 0.182 0.000 1.146 487 Y CA 1.352 59.620 58.100 0.279 0.000 1.182 487 Y CB -0.376 38.272 38.460 0.314 0.000 0.983 487 Y HN 0.667 nan 8.280 nan 0.000 0.524 488 E N -0.579 119.794 120.200 0.288 0.000 2.085 488 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 488 E C 2.486 179.173 176.600 0.145 0.000 0.994 488 E CA 1.631 58.121 56.400 0.149 0.000 0.801 488 E CB -0.490 29.285 29.700 0.125 0.000 0.743 488 E HN 0.210 nan 8.360 nan 0.000 0.453 489 S N -0.553 115.281 115.700 0.223 0.000 2.406 489 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 489 S C 1.887 176.637 174.600 0.250 0.000 1.020 489 S CA 1.008 59.378 58.200 0.283 0.000 0.965 489 S CB -0.154 63.312 63.200 0.443 0.000 0.798 489 S HN 0.292 nan 8.310 nan 0.000 0.488 490 M N 0.964 120.597 119.600 0.055 0.000 2.117 490 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 490 M C 2.075 178.444 176.300 0.115 0.000 1.065 490 M CA 1.736 56.839 55.300 -0.329 0.000 1.114 490 M CB -0.432 31.828 32.600 -0.567 0.000 1.361 490 M HN 0.441 nan 8.290 nan 0.000 0.408 491 A N 0.791 123.669 122.820 0.097 0.000 1.873 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 491 A C 1.972 179.556 177.584 -0.000 0.000 1.186 491 A CA 1.824 53.763 52.037 -0.165 0.000 0.616 491 A CB -1.062 17.611 19.000 -0.546 0.000 0.823 491 A HN 0.773 nan 8.150 nan 0.000 0.442 492 E N 0.080 120.332 120.200 0.086 0.000 2.118 492 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 492 E C 1.913 178.732 176.600 0.364 0.000 0.992 492 E CA 1.671 58.187 56.400 0.194 0.000 0.804 492 E CB -0.406 29.404 29.700 0.183 0.000 0.741 492 E HN 0.439 nan 8.360 nan 0.000 0.458 493 S N 1.101 117.033 115.700 0.386 0.000 2.356 493 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 493 S C 1.883 176.776 174.600 0.488 0.000 1.032 493 S CA 1.160 59.712 58.200 0.587 0.000 1.005 493 S CB -0.440 63.145 63.200 0.642 0.000 0.867 493 S HN 0.313 nan 8.310 nan 0.000 0.449 494 L N 2.390 123.820 121.223 0.346 0.000 2.043 494 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 494 L C 2.176 179.000 176.870 -0.076 0.000 1.075 494 L CA 1.734 56.657 54.840 0.140 0.000 0.752 494 L CB -0.522 41.541 42.059 0.006 0.000 0.891 494 L HN 0.154 nan 8.230 nan 0.000 0.432 495 R N -0.574 119.922 120.500 -0.006 0.000 2.081 495 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 495 R C 2.239 178.421 176.300 -0.197 0.000 1.131 495 R CA 1.204 57.263 56.100 -0.069 0.000 0.960 495 R CB -1.079 29.218 30.300 -0.007 0.000 0.856 495 R HN 0.595 nan 8.270 nan 0.000 0.436 496 G N 0.413 109.111 108.800 -0.169 0.000 2.421 496 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 496 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 496 G C 1.512 175.995 174.900 -0.695 0.000 1.171 496 G CA 0.892 45.719 45.100 -0.455 0.000 0.775 496 G HN 0.464 nan 8.290 nan 0.000 0.543 497 G N 0.637 108.758 108.800 -1.132 0.000 2.408 497 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 497 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 497 G C 1.806 176.119 174.900 -0.978 0.000 1.150 497 G CA 0.638 44.506 45.100 -2.052 0.000 0.776 497 G HN 0.422 nan 8.290 nan 0.000 0.542 498 L N 0.802 121.668 121.223 -0.594 0.000 2.056 498 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 498 L C 3.189 179.883 176.870 -0.293 0.000 1.078 498 L CA 1.195 55.831 54.840 -0.340 0.000 0.749 498 L CB -0.460 41.483 42.059 -0.194 0.000 0.901 498 L HN 0.165 nan 8.230 nan 0.000 0.433 499 S N 0.123 115.636 115.700 -0.311 0.000 2.356 499 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 499 S C 2.001 176.440 174.600 -0.268 0.000 1.032 499 S CA 1.245 59.294 58.200 -0.251 0.000 1.005 499 S CB -0.291 62.738 63.200 -0.285 0.000 0.867 499 S HN 0.299 nan 8.310 nan 0.000 0.449 500 I N 1.450 121.784 120.570 -0.394 0.000 2.208 500 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 500 I C 2.419 178.447 176.117 -0.148 0.000 1.097 500 I CA 1.337 62.432 61.300 -0.342 0.000 1.363 500 I CB -0.714 36.988 38.000 -0.496 0.000 1.051 500 I HN 0.410 nan 8.210 nan 0.000 0.413 501 G N 0.590 109.272 108.800 -0.197 0.000 2.422 501 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 501 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 501 G C 1.586 176.427 174.900 -0.098 0.000 1.146 501 G CA 0.284 45.310 45.100 -0.125 0.000 0.769 501 G HN 0.379 nan 8.290 nan 0.000 0.547 502 L N 1.011 122.169 121.223 -0.107 0.000 2.549 502 L HA 0.027 4.367 4.340 -0.000 0.000 0.230 502 L C 1.812 178.701 176.870 0.032 0.000 1.162 502 L CA 0.585 55.391 54.840 -0.058 0.000 0.834 502 L CB 0.201 42.218 42.059 -0.070 0.000 0.947 502 L HN 0.116 nan 8.230 nan 0.000 0.452 503 S N -1.015 114.693 115.700 0.013 0.000 2.650 503 S HA 0.374 4.844 4.470 -0.000 0.000 0.240 503 S C 1.176 175.754 174.600 -0.037 0.000 1.007 503 S CA 0.410 58.639 58.200 0.048 0.000 0.984 503 S CB 1.153 64.401 63.200 0.080 0.000 0.910 503 S HN 0.530 nan 8.310 nan 0.000 0.509 504 G N 1.195 109.951 108.800 -0.072 0.000 2.184 504 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.206 504 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.206 504 G C -0.142 174.561 174.900 -0.328 0.000 0.995 504 G CA -0.729 44.269 45.100 -0.171 0.000 0.651 504 G HN 0.432 nan 8.290 nan 0.000 0.511 505 F N 0.902 120.733 119.950 -0.198 0.000 2.408 505 F HA 0.567 5.094 4.527 -0.000 0.000 0.344 505 F C 1.573 177.248 175.800 -0.210 0.000 1.112 505 F CA 0.238 58.120 58.000 -0.198 0.000 1.096 505 F CB 1.966 40.825 39.000 -0.234 0.000 1.129 505 F HN 0.004 nan 8.300 nan 0.000 0.486 506 G N 2.503 111.217 108.800 -0.144 0.000 2.744 506 G HA2 0.140 4.100 3.960 -0.000 0.000 0.211 506 G HA3 0.140 4.100 3.960 -0.000 0.000 0.211 506 G C -0.306 174.092 174.900 -0.837 0.000 1.146 506 G CA 0.281 45.041 45.100 -0.567 0.000 0.787 506 G HN 0.369 nan 8.290 nan 0.000 0.534 507 F N -1.999 118.048 119.950 0.162 0.000 2.578 507 F HA 0.677 5.204 4.527 -0.000 0.000 0.311 507 F C -1.121 174.825 175.800 0.243 0.000 1.094 507 F CA -1.541 56.566 58.000 0.177 0.000 0.923 507 F CB 2.064 41.080 39.000 0.028 0.000 1.230 507 F HN 0.013 nan 8.300 nan 0.000 0.450 508 W N 2.011 123.408 121.300 0.162 0.000 3.800 508 W HA 0.600 5.260 4.660 -0.000 0.000 0.299 508 W C -1.462 175.100 176.519 0.071 0.000 1.231 508 W CA -0.531 56.845 57.345 0.053 0.000 1.232 508 W CB 1.793 31.274 29.460 0.036 0.000 1.291 508 W HN 0.554 nan 8.180 nan 0.000 0.514 509 S N 2.550 117.774 115.700 -0.794 0.000 2.745 509 S HA 0.891 5.361 4.470 -0.000 0.000 0.306 509 S C -1.286 172.731 174.600 -0.972 0.000 1.137 509 S CA -0.329 57.436 58.200 -0.725 0.000 0.900 509 S CB 1.149 64.005 63.200 -0.573 0.000 1.176 509 S HN 0.709 nan 8.310 nan 0.000 0.520 510 H N -1.109 117.603 119.070 -0.596 0.000 3.037 510 H HA 0.456 5.012 4.556 -0.000 0.000 0.336 510 H C -2.085 173.214 175.328 -0.049 0.000 1.323 510 H CA -1.015 54.869 56.048 -0.273 0.000 1.159 510 H CB 0.060 29.632 29.762 -0.317 0.000 1.882 510 H HN 0.280 nan 8.280 nan 0.000 0.535 511 D N 2.025 122.494 120.400 0.115 0.000 2.344 511 D HA 0.154 4.794 4.640 -0.000 0.000 0.253 511 D C 0.306 176.347 176.300 -0.431 0.000 1.255 511 D CA -0.017 53.934 54.000 -0.082 0.000 0.894 511 D CB 0.475 41.328 40.800 0.088 0.000 1.067 511 D HN 0.406 nan 8.370 nan 0.000 0.492 512 I N 1.756 122.028 120.570 -0.497 0.000 2.664 512 I HA 0.058 4.227 4.170 -0.000 0.000 0.284 512 I C 1.625 177.225 176.117 -0.861 0.000 1.154 512 I CA 0.541 61.402 61.300 -0.732 0.000 1.402 512 I CB 0.129 37.889 38.000 -0.401 0.000 1.395 512 I HN 0.654 nan 8.210 nan 0.000 0.545 513 G N 3.919 111.861 108.800 -1.430 0.000 2.176 513 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.232 513 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.232 513 G C 0.519 174.929 174.900 -0.816 0.000 0.986 513 G CA -0.174 44.482 45.100 -0.739 0.000 0.643 513 G HN 1.524 nan 8.290 nan 0.000 0.522 514 G N -1.770 106.174 108.800 -1.427 0.000 2.716 514 G HA2 0.151 4.111 3.960 -0.000 0.000 0.686 514 G HA3 0.151 4.111 3.960 -0.000 0.000 0.686 514 G C 0.234 175.008 174.900 -0.210 0.000 1.337 514 G CA 0.127 44.841 45.100 -0.644 0.000 0.829 514 G HN 1.438 nan 8.290 nan 0.000 0.599 515 F N 0.924 120.767 119.950 -0.177 0.000 2.092 515 F HA 0.302 4.829 4.527 -0.000 0.000 0.286 515 F C 1.472 177.173 175.800 -0.165 0.000 1.116 515 F CA 1.347 59.263 58.000 -0.140 0.000 1.185 515 F CB 0.122 39.102 39.000 -0.033 0.000 1.034 515 F HN 0.499 nan 8.300 nan 0.000 0.479 516 E N 2.020 122.061 120.200 -0.266 0.000 2.301 516 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 516 E C -0.766 175.658 176.600 -0.293 0.000 1.030 516 E CA -0.175 55.942 56.400 -0.471 0.000 0.852 516 E CB 0.831 30.092 29.700 -0.732 0.000 1.060 516 E HN 0.487 nan 8.360 nan 0.000 0.401 517 N N 0.088 118.677 118.700 -0.185 0.000 5.180 517 N HA -0.120 4.620 4.740 -0.000 0.000 0.366 517 N C -1.186 174.294 175.510 -0.050 0.000 1.572 517 N CA 0.333 53.355 53.050 -0.047 0.000 2.673 517 N CB -0.243 38.297 38.487 0.088 0.000 0.511 517 N HN 0.345 nan 8.380 nan 0.000 0.723 518 T N 1.069 115.612 114.554 -0.019 0.000 2.749 518 T HA 0.542 4.892 4.350 -0.000 0.000 0.287 518 T C 0.284 175.031 174.700 0.078 0.000 0.970 518 T CA -0.269 61.830 62.100 -0.001 0.000 0.980 518 T CB 1.169 69.985 68.868 -0.088 0.000 0.924 518 T HN 0.605 nan 8.240 nan 0.000 0.456 519 A N 6.234 129.161 122.820 0.179 0.000 2.477 519 A HA 0.502 4.821 4.320 -0.000 0.000 0.246 519 A C -2.038 175.649 177.584 0.171 0.000 1.078 519 A CA -1.210 50.923 52.037 0.159 0.000 0.770 519 A CB -0.315 18.777 19.000 0.154 0.000 1.011 519 A HN 0.488 nan 8.150 nan 0.000 0.494 520 P HA 0.144 nan 4.420 nan 0.000 0.269 520 P C 0.974 178.286 177.300 0.020 0.000 1.215 520 P CA 0.571 63.672 63.100 0.003 0.000 0.780 520 P CB 0.664 32.285 31.700 -0.131 0.000 0.898 521 A N 3.109 126.014 122.820 0.143 0.000 1.940 521 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 521 A C 1.980 179.581 177.584 0.029 0.000 1.190 521 A CA 2.584 54.696 52.037 0.124 0.000 0.647 521 A CB -1.998 17.062 19.000 0.101 0.000 0.821 521 A HN 0.843 nan 8.150 nan 0.000 0.457 522 H N -2.068 117.053 119.070 0.085 0.000 2.321 522 H HA -0.002 4.554 4.556 -0.000 0.000 0.300 522 H C 1.732 177.266 175.328 0.343 0.000 1.087 522 H CA 1.279 57.442 56.048 0.192 0.000 1.319 522 H CB -0.930 29.139 29.762 0.512 0.000 1.379 522 H HN 0.103 nan 8.280 nan 0.000 0.501 523 V N 0.852 120.697 119.914 -0.116 0.000 2.255 523 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 523 V C 2.375 178.576 176.094 0.178 0.000 1.051 523 V CA 2.275 64.526 62.300 -0.081 0.000 1.018 523 V CB -0.947 30.661 31.823 -0.358 0.000 0.641 523 V HN 0.502 nan 8.190 nan 0.000 0.445 524 Y N 0.906 121.146 120.300 -0.100 0.000 2.207 524 Y HA -0.293 4.257 4.550 -0.000 0.000 0.287 524 Y C 2.481 178.349 175.900 -0.054 0.000 1.156 524 Y CA 2.147 60.101 58.100 -0.243 0.000 1.182 524 Y CB -0.163 37.776 38.460 -0.869 0.000 0.979 524 Y HN 0.179 nan 8.280 nan 0.000 0.521 525 K N -0.478 119.976 120.400 0.089 0.000 2.031 525 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 525 K C 2.180 178.919 176.600 0.232 0.000 1.049 525 K CA 1.181 57.530 56.287 0.103 0.000 0.939 525 K CB -0.062 32.413 32.500 -0.042 0.000 0.717 525 K HN 0.098 nan 8.250 nan 0.000 0.438 526 R N 0.282 121.009 120.500 0.378 0.000 2.096 526 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 526 R C 1.982 178.424 176.300 0.236 0.000 1.139 526 R CA 1.181 57.471 56.100 0.317 0.000 0.952 526 R CB -0.899 29.652 30.300 0.419 0.000 0.854 526 R HN 0.457 nan 8.270 nan 0.000 0.436 527 W N 1.039 122.405 121.300 0.111 0.000 2.374 527 W HA -0.169 4.491 4.660 -0.000 0.000 0.288 527 W C 2.129 178.627 176.519 -0.034 0.000 1.218 527 W CA 0.270 57.690 57.345 0.125 0.000 1.245 527 W CB -0.590 28.910 29.460 0.067 0.000 1.126 527 W HN 0.078 nan 8.180 nan 0.000 0.545 528 C N 0.031 119.358 119.300 0.045 0.000 2.429 528 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 528 C C 3.085 178.024 174.990 -0.085 0.000 1.262 528 C CA 1.758 60.716 59.018 -0.100 0.000 1.733 528 C CB -1.527 26.107 27.740 -0.177 0.000 2.010 528 C HN 0.361 nan 8.230 nan 0.000 0.483 529 A N 0.081 122.758 122.820 -0.239 0.000 1.883 529 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 529 A C 1.967 179.454 177.584 -0.161 0.000 1.186 529 A CA 1.879 53.472 52.037 -0.741 0.000 0.624 529 A CB -0.872 17.670 19.000 -0.764 0.000 0.822 529 A HN 0.531 nan 8.150 nan 0.000 0.444 530 F N 1.364 121.274 119.950 -0.066 0.000 2.102 530 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 530 F C 2.281 178.269 175.800 0.313 0.000 1.105 530 F CA 1.404 59.487 58.000 0.139 0.000 1.239 530 F CB -1.099 37.950 39.000 0.081 0.000 0.991 530 F HN 0.168 nan 8.300 nan 0.000 0.474 531 G N 0.665 109.530 108.800 0.108 0.000 2.432 531 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 531 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 531 G C 1.544 176.437 174.900 -0.011 0.000 1.135 531 G CA 0.682 45.686 45.100 -0.159 0.000 0.767 531 G HN 0.355 nan 8.290 nan 0.000 0.550 532 L N -0.091 121.177 121.223 0.075 0.000 2.492 532 L HA 0.270 4.610 4.340 -0.000 0.000 0.223 532 L C 1.444 178.441 176.870 0.211 0.000 1.132 532 L CA 0.587 55.512 54.840 0.143 0.000 0.850 532 L CB -0.213 41.961 42.059 0.191 0.000 0.966 532 L HN 0.133 nan 8.230 nan 0.000 0.454 533 L N -1.044 120.332 121.223 0.256 0.000 2.848 533 L HA 0.251 4.591 4.340 -0.000 0.000 0.240 533 L C 0.599 177.747 176.870 0.464 0.000 1.232 533 L CA 0.258 55.308 54.840 0.350 0.000 1.031 533 L CB -0.487 41.782 42.059 0.349 0.000 1.338 533 L HN -0.000 nan 8.230 nan 0.000 0.509 534 S N -1.648 114.260 115.700 0.347 0.000 2.664 534 S HA 0.328 4.798 4.470 -0.000 0.000 0.304 534 S C 1.283 176.055 174.600 0.285 0.000 1.099 534 S CA 0.042 58.445 58.200 0.339 0.000 1.003 534 S CB 1.946 65.317 63.200 0.286 0.000 1.092 534 S HN 0.389 nan 8.310 nan 0.000 0.525 535 S N 0.784 116.683 115.700 0.332 0.000 2.370 535 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 535 S C 0.150 174.764 174.600 0.024 0.000 1.033 535 S CA 1.271 59.695 58.200 0.373 0.000 1.011 535 S CB -0.482 63.088 63.200 0.618 0.000 0.852 535 S HN 0.763 nan 8.310 nan 0.000 0.457 536 H N 0.065 119.165 119.070 0.050 0.000 2.667 536 H HA 0.688 5.244 4.556 -0.000 0.000 0.353 536 H C -1.171 174.073 175.328 -0.141 0.000 1.072 536 H CA -0.460 55.526 56.048 -0.104 0.000 1.214 536 H CB 2.077 31.659 29.762 -0.301 0.000 1.600 536 H HN 0.139 nan 8.280 nan 0.000 0.527 537 S N 3.087 118.786 115.700 -0.002 0.000 2.596 537 S HA 0.518 4.988 4.470 -0.000 0.000 0.318 537 S C -0.506 174.080 174.600 -0.024 0.000 1.097 537 S CA -0.888 57.282 58.200 -0.049 0.000 1.080 537 S CB 1.254 64.482 63.200 0.047 0.000 0.991 537 S HN 0.566 nan 8.310 nan 0.000 0.471 538 R N 3.091 123.496 120.500 -0.158 0.000 2.538 538 R HA 0.485 4.824 4.340 -0.000 0.000 0.292 538 R C -1.692 174.516 176.300 -0.154 0.000 1.008 538 R CA -0.653 55.358 56.100 -0.149 0.000 0.896 538 R CB 0.847 30.919 30.300 -0.380 0.000 1.187 538 R HN 0.595 nan 8.270 nan 0.000 0.440 539 L N 4.714 125.892 121.223 -0.074 0.000 2.260 539 L HA 0.399 4.738 4.340 -0.000 0.000 0.289 539 L C -0.569 176.303 176.870 0.004 0.000 1.057 539 L CA -0.330 54.475 54.840 -0.059 0.000 0.811 539 L CB 0.739 42.787 42.059 -0.019 0.000 1.184 539 L HN 0.642 nan 8.230 nan 0.000 0.429 540 H N 2.267 121.265 119.070 -0.120 0.000 3.085 540 H HA 0.724 5.280 4.556 -0.000 0.000 0.356 540 H C -0.804 174.532 175.328 0.014 0.000 1.178 540 H CA -0.335 55.676 56.048 -0.061 0.000 1.214 540 H CB 1.990 31.674 29.762 -0.131 0.000 1.881 540 H HN 0.569 nan 8.280 nan 0.000 0.538 541 G N 0.978 109.462 108.800 -0.527 0.000 2.682 541 G HA2 0.366 4.325 3.960 -0.000 0.000 0.290 541 G HA3 0.366 4.325 3.960 -0.000 0.000 0.290 541 G C -0.259 174.256 174.900 -0.641 0.000 1.425 541 G CA 0.004 44.837 45.100 -0.445 0.000 0.807 541 G HN 0.594 nan 8.290 nan 0.000 0.482 542 S N -0.982 114.196 115.700 -0.869 0.000 2.341 542 S HA 0.088 4.558 4.470 -0.000 0.000 0.216 542 S C 1.733 176.183 174.600 -0.251 0.000 1.034 542 S CA 1.285 59.003 58.200 -0.803 0.000 0.964 542 S CB -0.183 62.283 63.200 -1.224 0.000 0.882 542 S HN 0.466 nan 8.310 nan 0.000 0.469 543 K N 0.489 120.710 120.400 -0.297 0.000 2.412 543 K HA 0.236 4.556 4.320 -0.000 0.000 0.202 543 K C -0.095 176.327 176.600 -0.297 0.000 1.102 543 K CA 0.085 56.230 56.287 -0.237 0.000 1.027 543 K CB 1.092 33.478 32.500 -0.189 0.000 0.931 543 K HN 0.425 nan 8.250 nan 0.000 0.557 544 S N -0.352 115.159 115.700 -0.314 0.000 2.599 544 S HA 0.479 4.949 4.470 -0.000 0.000 0.287 544 S C -0.579 173.829 174.600 -0.319 0.000 1.105 544 S CA -0.981 56.991 58.200 -0.381 0.000 0.899 544 S CB 0.702 63.726 63.200 -0.293 0.000 1.100 544 S HN -0.023 nan 8.310 nan 0.000 0.482 545 Y N 0.819 121.039 120.300 -0.133 0.000 2.385 545 Y HA 0.393 4.943 4.550 -0.000 0.000 0.346 545 Y C 1.807 177.567 175.900 -0.233 0.000 1.270 545 Y CA -0.695 57.294 58.100 -0.186 0.000 1.472 545 Y CB 0.455 38.765 38.460 -0.251 0.000 1.354 545 Y HN 0.563 nan 8.280 nan 0.000 0.611 546 R N 0.720 121.179 120.500 -0.068 0.000 2.543 546 R HA 0.178 4.518 4.340 -0.000 0.000 0.323 546 R C -0.842 175.391 176.300 -0.111 0.000 1.002 546 R CA -0.136 55.967 56.100 0.005 0.000 1.106 546 R CB -0.354 29.972 30.300 0.043 0.000 1.280 546 R HN 0.520 nan 8.270 nan 0.000 0.549 547 V N 0.577 120.190 119.914 -0.501 0.000 2.599 547 V HA 0.106 4.226 4.120 -0.000 0.000 0.300 547 V C -1.148 174.552 176.094 -0.657 0.000 1.034 547 V CA -1.146 60.638 62.300 -0.859 0.000 1.115 547 V CB 0.677 31.381 31.823 -1.865 0.000 0.934 547 V HN -0.027 nan 8.190 nan 0.000 0.485 548 P HA -0.129 nan 4.420 nan 0.000 0.216 548 P C 1.476 178.807 177.300 0.052 0.000 1.150 548 P CA 2.070 65.196 63.100 0.043 0.000 0.837 548 P CB -0.153 31.721 31.700 0.289 0.000 0.786 549 W N 0.683 122.007 121.300 0.039 0.000 2.387 549 W HA 0.093 4.753 4.660 -0.000 0.000 0.272 549 W C 1.952 178.452 176.519 -0.033 0.000 1.224 549 W CA 0.743 58.097 57.345 0.014 0.000 1.210 549 W CB -1.886 27.578 29.460 0.008 0.000 1.125 549 W HN -0.100 nan 8.180 nan 0.000 0.572 550 A N -0.268 122.385 122.820 -0.278 0.000 2.121 550 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 550 A C 1.421 178.739 177.584 -0.443 0.000 1.154 550 A CA 1.048 52.876 52.037 -0.349 0.000 0.679 550 A CB -0.800 17.873 19.000 -0.545 0.000 0.795 550 A HN 0.498 nan 8.150 nan 0.000 0.458 551 Y N 0.275 120.400 120.300 -0.292 0.000 2.222 551 Y HA 0.243 4.793 4.550 -0.000 0.000 0.290 551 Y C 0.783 176.622 175.900 -0.102 0.000 1.123 551 Y CA 0.632 58.575 58.100 -0.263 0.000 1.120 551 Y CB 0.191 38.369 38.460 -0.469 0.000 1.060 551 Y HN 0.541 nan 8.280 nan 0.000 0.508 552 D N -2.823 117.650 120.400 0.122 0.000 2.779 552 D HA 0.056 4.696 4.640 -0.000 0.000 0.331 552 D C -0.249 176.132 176.300 0.134 0.000 1.331 552 D CA -0.324 53.739 54.000 0.105 0.000 0.866 552 D CB 0.095 40.945 40.800 0.083 0.000 1.409 552 D HN -0.002 nan 8.370 nan 0.000 0.486 553 D N -0.011 120.461 120.400 0.119 0.000 2.097 553 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 553 D C 1.361 177.741 176.300 0.133 0.000 0.989 553 D CA 1.188 55.263 54.000 0.125 0.000 0.827 553 D CB 0.176 41.034 40.800 0.096 0.000 0.966 553 D HN 0.664 nan 8.370 nan 0.000 0.456 554 E N 1.067 121.336 120.200 0.116 0.000 2.118 554 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 554 E C 1.997 178.683 176.600 0.142 0.000 0.992 554 E CA 0.999 57.471 56.400 0.120 0.000 0.804 554 E CB 0.162 29.920 29.700 0.097 0.000 0.741 554 E HN 0.002 nan 8.360 nan 0.000 0.458 555 S N -0.093 115.695 115.700 0.148 0.000 2.400 555 S HA -0.208 4.262 4.470 -0.000 0.000 0.232 555 S C 2.054 176.815 174.600 0.268 0.000 1.025 555 S CA 1.159 59.497 58.200 0.230 0.000 0.993 555 S CB -0.396 62.969 63.200 0.275 0.000 0.808 555 S HN 0.479 nan 8.310 nan 0.000 0.478 556 C N 1.871 121.317 119.300 0.244 0.000 2.425 556 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 556 C C 2.371 177.487 174.990 0.211 0.000 1.280 556 C CA 0.264 59.431 59.018 0.249 0.000 1.744 556 C CB -1.179 26.703 27.740 0.237 0.000 1.989 556 C HN 0.551 nan 8.230 nan 0.000 0.491 557 D N 0.599 121.111 120.400 0.186 0.000 2.183 557 D HA -0.062 4.578 4.640 -0.000 0.000 0.203 557 D C 2.191 178.619 176.300 0.214 0.000 0.969 557 D CA 0.898 54.999 54.000 0.169 0.000 0.842 557 D CB -0.252 40.626 40.800 0.130 0.000 0.957 557 D HN 0.305 nan 8.370 nan 0.000 0.484 558 V N 0.690 120.760 119.914 0.259 0.000 2.323 558 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 558 V C 2.684 179.043 176.094 0.442 0.000 1.041 558 V CA 0.897 63.426 62.300 0.380 0.000 1.025 558 V CB -0.400 31.645 31.823 0.370 0.000 0.656 558 V HN 0.033 nan 8.190 nan 0.000 0.451 559 V N 0.049 120.153 119.914 0.317 0.000 2.332 559 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 559 V C 2.593 178.836 176.094 0.249 0.000 1.055 559 V CA 2.451 64.912 62.300 0.269 0.000 1.038 559 V CB -0.764 31.192 31.823 0.221 0.000 0.651 559 V HN 0.480 nan 8.190 nan 0.000 0.450 560 R N -0.865 119.766 120.500 0.218 0.000 2.062 560 R HA -0.182 4.157 4.340 -0.000 0.000 0.231 560 R C 2.344 178.706 176.300 0.103 0.000 1.136 560 R CA 2.141 58.332 56.100 0.152 0.000 0.948 560 R CB -0.453 29.930 30.300 0.138 0.000 0.845 560 R HN 0.485 nan 8.270 nan 0.000 0.430 561 F N 0.454 120.364 119.950 -0.066 0.000 2.095 561 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 561 F C 1.678 177.257 175.800 -0.368 0.000 1.104 561 F CA 1.695 59.523 58.000 -0.286 0.000 1.232 561 F CB -0.282 38.448 39.000 -0.450 0.000 0.987 561 F HN -0.020 nan 8.300 nan 0.000 0.475 562 F N 0.076 120.081 119.950 0.091 0.000 2.259 562 F HA -0.102 4.424 4.527 -0.000 0.000 0.298 562 F C 2.476 178.256 175.800 -0.035 0.000 1.088 562 F CA 1.532 59.525 58.000 -0.011 0.000 1.358 562 F CB -1.292 37.804 39.000 0.160 0.000 1.040 562 F HN -0.125 nan 8.300 nan 0.000 0.505 563 T N -0.617 114.035 114.554 0.164 0.000 2.737 563 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 563 T C 1.922 176.654 174.700 0.053 0.000 1.038 563 T CA 1.355 63.541 62.100 0.142 0.000 1.144 563 T CB -0.349 68.624 68.868 0.174 0.000 0.866 563 T HN 0.264 nan 8.240 nan 0.000 0.434 564 Q N 0.309 120.082 119.800 -0.046 0.000 2.077 564 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 564 Q C 2.345 178.235 176.000 -0.184 0.000 0.989 564 Q CA 1.369 57.100 55.803 -0.120 0.000 0.853 564 Q CB -0.435 28.189 28.738 -0.190 0.000 0.907 564 Q HN 0.323 nan 8.270 nan 0.000 0.418 565 L N 1.234 122.249 121.223 -0.347 0.000 1.989 565 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 565 L C 2.227 179.042 176.870 -0.091 0.000 1.071 565 L CA 1.972 56.606 54.840 -0.343 0.000 0.749 565 L CB -0.465 41.254 42.059 -0.567 0.000 0.890 565 L HN 0.041 nan 8.230 nan 0.000 0.431 566 K N -1.099 119.309 120.400 0.013 0.000 2.044 566 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 566 K C 2.115 178.775 176.600 0.100 0.000 1.049 566 K CA 2.052 58.398 56.287 0.099 0.000 0.927 566 K CB -0.424 32.169 32.500 0.155 0.000 0.713 566 K HN 0.558 nan 8.250 nan 0.000 0.443 567 C N 0.544 119.902 119.300 0.097 0.000 2.413 567 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 567 C C 2.546 177.671 174.990 0.226 0.000 1.265 567 C CA 0.608 59.726 59.018 0.167 0.000 1.752 567 C CB -0.903 26.912 27.740 0.124 0.000 1.998 567 C HN 0.477 nan 8.230 nan 0.000 0.489 568 R N 0.216 120.776 120.500 0.099 0.000 2.148 568 R HA 0.040 4.380 4.340 -0.000 0.000 0.223 568 R C 1.959 178.318 176.300 0.098 0.000 1.088 568 R CA 0.983 57.146 56.100 0.105 0.000 0.985 568 R CB -0.267 30.029 30.300 -0.008 0.000 0.880 568 R HN 0.581 nan 8.270 nan 0.000 0.451 569 M N 0.021 119.660 119.600 0.066 0.000 2.630 569 M HA -0.027 4.453 4.480 -0.000 0.000 0.254 569 M C 1.702 178.007 176.300 0.008 0.000 1.092 569 M CA 0.663 56.006 55.300 0.071 0.000 1.087 569 M CB 0.008 32.676 32.600 0.114 0.000 1.453 569 M HN 0.046 nan 8.290 nan 0.000 0.509 570 M N 0.156 119.705 119.600 -0.085 0.000 2.149 570 M HA -0.099 4.380 4.480 -0.000 0.000 0.261 570 M C -0.624 175.178 176.300 -0.831 0.000 1.064 570 M CA 1.852 56.903 55.300 -0.416 0.000 1.102 570 M CB -2.230 30.154 32.600 -0.360 0.000 1.369 570 M HN 0.004 nan 8.290 nan 0.000 0.408 571 P HA -0.189 nan 4.420 nan 0.000 0.215 571 P C 1.562 178.689 177.300 -0.289 0.000 1.153 571 P CA 1.272 64.027 63.100 -0.575 0.000 0.853 571 P CB -0.316 31.270 31.700 -0.191 0.000 0.788 572 Y N -0.128 120.025 120.300 -0.246 0.000 2.153 572 Y HA -0.117 4.433 4.550 -0.000 0.000 0.289 572 Y C 1.995 177.794 175.900 -0.169 0.000 1.127 572 Y CA 1.201 59.217 58.100 -0.140 0.000 1.131 572 Y CB -1.156 37.263 38.460 -0.068 0.000 0.995 572 Y HN -0.276 nan 8.280 nan 0.000 0.505 573 L N -0.185 120.875 121.223 -0.271 0.000 1.990 573 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 573 L C 2.329 178.939 176.870 -0.434 0.000 1.072 573 L CA 1.942 56.575 54.840 -0.345 0.000 0.755 573 L CB -1.872 40.102 42.059 -0.141 0.000 0.889 573 L HN 0.400 nan 8.230 nan 0.000 0.432 574 Y N 0.121 119.993 120.300 -0.714 0.000 2.274 574 Y HA -0.265 4.285 4.550 -0.000 0.000 0.290 574 Y C 2.793 178.436 175.900 -0.428 0.000 1.145 574 Y CA 1.699 59.368 58.100 -0.718 0.000 1.203 574 Y CB -0.153 37.701 38.460 -1.009 0.000 0.984 574 Y HN 0.136 nan 8.280 nan 0.000 0.533 575 R N 0.707 120.996 120.500 -0.351 0.000 2.092 575 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 575 R C 1.846 177.968 176.300 -0.296 0.000 1.119 575 R CA 1.786 57.725 56.100 -0.268 0.000 0.970 575 R CB -0.391 29.799 30.300 -0.185 0.000 0.864 575 R HN 0.173 nan 8.270 nan 0.000 0.440 576 E N 0.181 120.150 120.200 -0.385 0.000 2.152 576 E HA -0.049 4.300 4.350 -0.000 0.000 0.192 576 E C 1.833 178.305 176.600 -0.213 0.000 0.983 576 E CA 1.263 57.468 56.400 -0.326 0.000 0.818 576 E CB -0.337 29.099 29.700 -0.440 0.000 0.758 576 E HN 0.453 nan 8.360 nan 0.000 0.467 577 A N 1.390 124.086 122.820 -0.207 0.000 1.969 577 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 577 A C 2.388 179.941 177.584 -0.052 0.000 1.169 577 A CA 1.720 53.764 52.037 0.011 0.000 0.635 577 A CB -0.431 18.584 19.000 0.025 0.000 0.810 577 A HN 0.247 nan 8.150 nan 0.000 0.445 578 A N -0.491 122.184 122.820 -0.241 0.000 1.972 578 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 578 A C 2.228 179.753 177.584 -0.099 0.000 1.169 578 A CA 1.458 53.395 52.037 -0.167 0.000 0.635 578 A CB -0.448 18.449 19.000 -0.173 0.000 0.810 578 A HN 0.511 nan 8.150 nan 0.000 0.446 579 R N -0.711 119.717 120.500 -0.121 0.000 2.096 579 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 579 R C 2.434 178.665 176.300 -0.114 0.000 1.127 579 R CA 1.116 57.148 56.100 -0.113 0.000 0.968 579 R CB -0.337 29.884 30.300 -0.132 0.000 0.861 579 R HN 0.523 nan 8.270 nan 0.000 0.440 580 A N 1.285 124.027 122.820 -0.131 0.000 1.902 580 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 580 A C 1.919 179.452 177.584 -0.086 0.000 1.181 580 A CA 1.654 53.583 52.037 -0.179 0.000 0.623 580 A CB -0.810 17.931 19.000 -0.431 0.000 0.818 580 A HN 0.469 nan 8.150 nan 0.000 0.443 581 N N 0.233 118.937 118.700 0.007 0.000 2.142 581 N HA -0.118 4.621 4.740 -0.000 0.000 0.186 581 N C 1.897 177.381 175.510 -0.043 0.000 1.023 581 N CA 1.487 54.544 53.050 0.012 0.000 0.852 581 N CB -0.203 38.312 38.487 0.047 0.000 0.998 581 N HN 0.359 nan 8.380 nan 0.000 0.424 582 A N 0.551 123.340 122.820 -0.052 0.000 1.930 582 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 582 A C 2.079 179.619 177.584 -0.074 0.000 1.176 582 A CA 0.836 52.838 52.037 -0.059 0.000 0.632 582 A CB -0.019 18.948 19.000 -0.056 0.000 0.819 582 A HN 0.305 nan 8.150 nan 0.000 0.445 583 R N -2.513 117.935 120.500 -0.087 0.000 2.531 583 R HA 0.229 4.569 4.340 -0.000 0.000 0.316 583 R C 0.935 177.170 176.300 -0.109 0.000 0.955 583 R CA 0.531 56.577 56.100 -0.091 0.000 1.120 583 R CB 0.612 30.861 30.300 -0.085 0.000 1.361 583 R HN 0.633 nan 8.270 nan 0.000 0.534 584 G N 1.705 110.429 108.800 -0.128 0.000 2.168 584 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 584 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 584 G C 0.121 174.928 174.900 -0.156 0.000 0.997 584 G CA 0.825 45.832 45.100 -0.155 0.000 0.708 584 G HN 0.257 nan 8.290 nan 0.000 0.520 585 T N 3.675 118.139 114.554 -0.149 0.000 2.743 585 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 585 T C -1.489 173.095 174.700 -0.193 0.000 0.908 585 T CA -0.392 61.620 62.100 -0.148 0.000 1.092 585 T CB 1.733 70.525 68.868 -0.127 0.000 0.882 585 T HN 0.338 nan 8.240 nan 0.000 0.531 586 P HA 0.124 nan 4.420 nan 0.000 0.269 586 P C 0.871 178.056 177.300 -0.192 0.000 1.215 586 P CA -0.321 62.631 63.100 -0.246 0.000 0.780 586 P CB 0.851 32.444 31.700 -0.178 0.000 0.898 587 M N 0.689 120.163 119.600 -0.210 0.000 2.132 587 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 587 M C 1.498 177.833 176.300 0.059 0.000 1.065 587 M CA 1.813 57.081 55.300 -0.054 0.000 1.122 587 M CB -0.144 32.481 32.600 0.042 0.000 1.365 587 M HN 0.384 nan 8.290 nan 0.000 0.411 588 M N 1.368 120.995 119.600 0.045 0.000 2.069 588 M HA 0.262 4.742 4.480 -0.000 0.000 0.349 588 M C -1.046 175.255 176.300 0.001 0.000 1.194 588 M CA -0.020 55.313 55.300 0.056 0.000 1.081 588 M CB 0.412 32.955 32.600 -0.094 0.000 1.500 588 M HN 0.004 nan 8.290 nan 0.000 0.438 589 R N 3.629 124.188 120.500 0.097 0.000 2.514 589 R HA 0.677 5.017 4.340 -0.000 0.000 0.301 589 R C -0.333 176.010 176.300 0.072 0.000 0.962 589 R CA -0.668 55.451 56.100 0.031 0.000 0.882 589 R CB 1.700 32.010 30.300 0.018 0.000 1.143 589 R HN 0.806 nan 8.270 nan 0.000 0.452 590 A N 3.373 126.184 122.820 -0.014 0.000 2.483 590 A HA 0.032 4.352 4.320 -0.000 0.000 0.238 590 A C 1.217 178.818 177.584 0.028 0.000 1.070 590 A CA -0.180 51.851 52.037 -0.011 0.000 0.770 590 A CB 0.178 19.105 19.000 -0.122 0.000 1.008 590 A HN 0.776 nan 8.150 nan 0.000 0.497 591 M N 1.831 121.479 119.600 0.079 0.000 2.149 591 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 591 M C 1.991 178.377 176.300 0.143 0.000 1.064 591 M CA 2.299 57.696 55.300 0.162 0.000 1.102 591 M CB -1.460 31.214 32.600 0.124 0.000 1.369 591 M HN 0.997 nan 8.290 nan 0.000 0.408 592 M N -1.380 118.213 119.600 -0.012 0.000 2.296 592 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 592 M C 2.013 178.233 176.300 -0.134 0.000 1.064 592 M CA 1.705 56.947 55.300 -0.097 0.000 1.109 592 M CB -0.942 31.484 32.600 -0.290 0.000 1.396 592 M HN 0.263 nan 8.290 nan 0.000 0.430 593 M N -0.309 119.202 119.600 -0.148 0.000 2.236 593 M HA -0.043 4.437 4.480 -0.000 0.000 0.266 593 M C 1.843 178.068 176.300 -0.126 0.000 1.070 593 M CA 1.753 56.959 55.300 -0.155 0.000 1.137 593 M CB 0.012 32.519 32.600 -0.154 0.000 1.378 593 M HN 0.405 nan 8.290 nan 0.000 0.426 594 E N 0.166 120.303 120.200 -0.106 0.000 2.230 594 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 594 E C -0.444 175.847 176.600 -0.514 0.000 0.987 594 E CA 0.975 57.197 56.400 -0.296 0.000 0.841 594 E CB 0.191 29.720 29.700 -0.285 0.000 0.783 594 E HN 0.520 nan 8.360 nan 0.000 0.481 595 F N 0.423 120.383 119.950 0.017 0.000 2.622 595 F HA 0.327 4.854 4.527 -0.000 0.000 0.338 595 F C -1.804 173.999 175.800 0.005 0.000 1.334 595 F CA -1.865 56.158 58.000 0.038 0.000 1.179 595 F CB 1.751 40.806 39.000 0.092 0.000 1.471 595 F HN -0.029 nan 8.300 nan 0.000 0.576 596 P HA -0.093 nan 4.420 nan 0.000 0.226 596 P C 0.542 177.872 177.300 0.050 0.000 1.153 596 P CA 1.253 64.368 63.100 0.025 0.000 0.777 596 P CB 0.412 32.099 31.700 -0.021 0.000 0.794 597 D N -0.746 119.707 120.400 0.088 0.000 2.340 597 D HA -0.016 4.624 4.640 -0.000 0.000 0.220 597 D C 0.292 176.645 176.300 0.089 0.000 1.039 597 D CA 0.581 54.629 54.000 0.080 0.000 0.866 597 D CB -0.087 40.760 40.800 0.079 0.000 0.913 597 D HN 0.158 nan 8.370 nan 0.000 0.523 598 D N 1.588 122.057 120.400 0.114 0.000 2.380 598 D HA 0.069 4.709 4.640 -0.000 0.000 0.230 598 D C -1.407 174.904 176.300 0.019 0.000 1.154 598 D CA -2.064 51.988 54.000 0.086 0.000 0.859 598 D CB 1.823 42.701 40.800 0.130 0.000 1.045 598 D HN -0.058 nan 8.370 nan 0.000 0.495 599 P HA -0.107 nan 4.420 nan 0.000 0.223 599 P C 0.829 178.099 177.300 -0.051 0.000 1.144 599 P CA 0.470 63.567 63.100 -0.005 0.000 0.783 599 P CB 0.305 32.011 31.700 0.011 0.000 0.771 600 A N -0.950 121.770 122.820 -0.166 0.000 2.169 600 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 600 A C 2.064 179.420 177.584 -0.379 0.000 1.153 600 A CA 0.643 52.457 52.037 -0.372 0.000 0.756 600 A CB -1.239 17.223 19.000 -0.896 0.000 0.813 600 A HN 0.249 nan 8.150 nan 0.000 0.471 601 C N -0.093 119.077 119.300 -0.218 0.000 2.697 601 C HA 0.086 4.546 4.460 -0.000 0.000 0.267 601 C C 1.725 176.700 174.990 -0.025 0.000 1.278 601 C CA -0.084 58.871 59.018 -0.105 0.000 1.708 601 C CB -0.991 26.750 27.740 0.002 0.000 1.860 601 C HN 0.539 nan 8.230 nan 0.000 0.589 602 D N 0.555 120.943 120.400 -0.020 0.000 2.117 602 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 602 D C 1.103 177.302 176.300 -0.168 0.000 0.982 602 D CA 1.555 55.495 54.000 -0.100 0.000 0.828 602 D CB -0.069 40.602 40.800 -0.215 0.000 0.967 602 D HN 0.572 nan 8.370 nan 0.000 0.464 603 Y N 0.031 120.378 120.300 0.078 0.000 2.467 603 Y HA 0.279 4.829 4.550 -0.000 0.000 0.250 603 Y C 0.574 176.522 175.900 0.080 0.000 1.155 603 Y CA -0.367 57.777 58.100 0.073 0.000 1.249 603 Y CB 0.237 38.716 38.460 0.031 0.000 1.146 603 Y HN -0.231 nan 8.280 nan 0.000 0.524 604 L N 3.083 124.411 121.223 0.175 0.000 2.562 604 L HA 0.007 4.346 4.340 -0.000 0.000 0.271 604 L C 0.291 177.228 176.870 0.111 0.000 1.167 604 L CA 0.536 55.456 54.840 0.134 0.000 0.917 604 L CB 0.367 42.460 42.059 0.057 0.000 1.187 604 L HN 0.364 nan 8.230 nan 0.000 0.482 605 D N 1.583 122.048 120.400 0.108 0.000 2.530 605 D HA 0.011 4.651 4.640 -0.000 0.000 0.253 605 D C 1.117 177.452 176.300 0.058 0.000 1.338 605 D CA -0.234 53.808 54.000 0.070 0.000 0.806 605 D CB 0.307 41.136 40.800 0.049 0.000 1.160 605 D HN 0.384 nan 8.370 nan 0.000 0.514 606 R N 0.319 120.875 120.500 0.094 0.000 2.437 606 R HA 0.210 4.550 4.340 -0.000 0.000 0.257 606 R C 0.496 176.920 176.300 0.206 0.000 0.927 606 R CA 0.125 56.301 56.100 0.126 0.000 1.078 606 R CB 0.786 31.142 30.300 0.094 0.000 1.161 606 R HN 0.384 nan 8.270 nan 0.000 0.529 607 Q N -0.274 119.619 119.800 0.156 0.000 2.615 607 Q HA 0.455 4.795 4.340 -0.000 0.000 0.298 607 Q C -1.284 174.841 176.000 0.208 0.000 1.023 607 Q CA -1.157 54.701 55.803 0.092 0.000 0.768 607 Q CB 1.766 30.490 28.738 -0.023 0.000 1.500 607 Q HN 0.044 nan 8.270 nan 0.000 0.441 608 Y N -2.480 117.831 120.300 0.018 0.000 2.750 608 Y HA 0.637 5.187 4.550 -0.000 0.000 0.335 608 Y C -1.467 174.481 175.900 0.081 0.000 1.252 608 Y CA -1.621 56.508 58.100 0.048 0.000 1.064 608 Y CB 1.224 39.718 38.460 0.057 0.000 1.321 608 Y HN 0.483 nan 8.280 nan 0.000 0.451 609 M N 2.881 122.653 119.600 0.287 0.000 2.209 609 M HA 0.339 4.819 4.480 -0.000 0.000 0.355 609 M C -1.210 175.305 176.300 0.358 0.000 1.171 609 M CA -0.655 54.785 55.300 0.234 0.000 1.069 609 M CB 1.385 34.112 32.600 0.211 0.000 1.622 609 M HN 0.726 nan 8.290 nan 0.000 0.459 610 L N 3.947 125.350 121.223 0.301 0.000 2.287 610 L HA 0.619 4.959 4.340 -0.000 0.000 0.280 610 L C 0.517 177.568 176.870 0.302 0.000 1.055 610 L CA 0.770 55.828 54.840 0.363 0.000 0.863 610 L CB -0.099 42.194 42.059 0.391 0.000 1.245 610 L HN 0.967 nan 8.230 nan 0.000 0.432 611 G N 3.982 112.885 108.800 0.171 0.000 2.750 611 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.228 611 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.228 611 G C 0.394 175.365 174.900 0.118 0.000 1.367 611 G CA 0.017 45.148 45.100 0.052 0.000 0.871 611 G HN 0.528 nan 8.290 nan 0.000 0.560 612 D N 0.293 120.741 120.400 0.080 0.000 2.178 612 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 612 D C 2.077 178.443 176.300 0.110 0.000 0.980 612 D CA 1.667 55.703 54.000 0.060 0.000 0.842 612 D CB 0.029 40.850 40.800 0.035 0.000 0.948 612 D HN 0.354 nan 8.370 nan 0.000 0.472 613 N N -0.622 118.208 118.700 0.217 0.000 2.210 613 N HA 0.036 4.775 4.740 -0.000 0.000 0.203 613 N C -0.138 175.393 175.510 0.036 0.000 1.175 613 N CA 0.024 53.120 53.050 0.076 0.000 0.894 613 N CB 2.185 40.672 38.487 0.000 0.000 1.041 613 N HN 0.068 nan 8.380 nan 0.000 0.506 614 V N 1.156 121.140 119.914 0.116 0.000 2.487 614 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 614 V C -0.598 175.567 176.094 0.119 0.000 1.028 614 V CA -0.731 61.612 62.300 0.071 0.000 0.860 614 V CB 2.092 33.846 31.823 -0.116 0.000 0.991 614 V HN -0.084 nan 8.190 nan 0.000 0.427 615 M N 7.409 127.083 119.600 0.123 0.000 2.157 615 M HA 0.576 5.056 4.480 -0.000 0.000 0.354 615 M C -1.159 174.987 176.300 -0.258 0.000 1.170 615 M CA -0.266 54.990 55.300 -0.074 0.000 1.060 615 M CB 1.216 33.691 32.600 -0.209 0.000 1.615 615 M HN 0.903 nan 8.290 nan 0.000 0.460 616 V N 4.883 124.520 119.914 -0.461 0.000 2.604 616 V HA 0.926 5.046 4.120 -0.000 0.000 0.305 616 V C -1.249 174.499 176.094 -0.576 0.000 1.043 616 V CA -0.377 61.596 62.300 -0.544 0.000 0.888 616 V CB 1.636 33.176 31.823 -0.471 0.000 0.995 616 V HN 0.978 nan 8.190 nan 0.000 0.429 617 A N 7.245 129.811 122.820 -0.423 0.000 2.483 617 A HA 0.851 5.171 4.320 -0.000 0.000 0.308 617 A C -2.815 174.608 177.584 -0.269 0.000 1.291 617 A CA -1.722 50.138 52.037 -0.295 0.000 0.774 617 A CB 0.867 19.660 19.000 -0.344 0.000 1.134 617 A HN 0.743 nan 8.150 nan 0.000 0.471 618 P HA 0.121 nan 4.420 nan 0.000 0.266 618 P C -0.228 176.749 177.300 -0.538 0.000 1.193 618 P CA 0.179 62.988 63.100 -0.484 0.000 0.770 618 P CB 0.688 31.835 31.700 -0.921 0.000 0.836 619 V N 3.879 123.526 119.914 -0.445 0.000 2.407 619 V HA 0.195 4.315 4.120 -0.000 0.000 0.278 619 V C 0.408 176.237 176.094 -0.442 0.000 1.037 619 V CA 0.294 62.423 62.300 -0.285 0.000 0.900 619 V CB 0.223 31.983 31.823 -0.105 0.000 0.983 619 V HN 0.449 nan 8.190 nan 0.000 0.459 620 F N 2.448 122.260 119.950 -0.231 0.000 2.708 620 F HA 0.274 4.801 4.527 -0.000 0.000 0.300 620 F C 0.973 176.159 175.800 -1.023 0.000 1.118 620 F CA -0.254 57.444 58.000 -0.504 0.000 1.307 620 F CB 0.686 39.555 39.000 -0.219 0.000 0.986 620 F HN 0.565 nan 8.300 nan 0.000 0.522 621 T N -4.490 109.700 114.554 -0.607 0.000 2.912 621 T HA 0.260 4.609 4.350 -0.000 0.000 0.299 621 T C 0.742 175.374 174.700 -0.114 0.000 1.052 621 T CA -0.690 61.182 62.100 -0.380 0.000 0.996 621 T CB 2.294 71.098 68.868 -0.107 0.000 1.070 621 T HN 0.169 nan 8.240 nan 0.000 0.465 622 E N 1.780 122.046 120.200 0.110 0.000 2.049 622 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 622 E C 2.198 178.809 176.600 0.020 0.000 1.007 622 E CA 1.642 58.115 56.400 0.120 0.000 0.809 622 E CB -0.409 29.151 29.700 -0.233 0.000 0.749 622 E HN 0.850 nan 8.360 nan 0.000 0.450 623 A N -0.338 122.474 122.820 -0.013 0.000 2.172 623 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 623 A C 1.861 179.404 177.584 -0.068 0.000 1.154 623 A CA 1.462 53.479 52.037 -0.034 0.000 0.701 623 A CB -0.571 18.422 19.000 -0.012 0.000 0.789 623 A HN 0.581 nan 8.150 nan 0.000 0.465 624 G N -0.780 107.982 108.800 -0.063 0.000 2.175 624 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.244 624 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.244 624 G C -0.313 174.606 174.900 0.032 0.000 0.982 624 G CA 0.106 45.175 45.100 -0.052 0.000 0.641 624 G HN 0.577 nan 8.290 nan 0.000 0.527 625 D N 0.253 120.670 120.400 0.028 0.000 2.455 625 D HA 0.397 5.037 4.640 -0.000 0.000 0.241 625 D C 0.026 176.388 176.300 0.103 0.000 1.138 625 D CA 0.769 54.809 54.000 0.067 0.000 0.877 625 D CB 2.458 43.283 40.800 0.042 0.000 1.187 625 D HN 0.435 nan 8.370 nan 0.000 0.451 626 V N 1.811 121.830 119.914 0.175 0.000 2.969 626 V HA 0.205 4.325 4.120 -0.000 0.000 0.304 626 V C -1.643 174.639 176.094 0.313 0.000 1.192 626 V CA -0.600 61.839 62.300 0.231 0.000 0.962 626 V CB 2.331 34.283 31.823 0.214 0.000 1.045 626 V HN 0.478 nan 8.190 nan 0.000 0.428 627 Q N 5.422 125.420 119.800 0.330 0.000 2.342 627 Q HA 0.778 5.118 4.340 -0.000 0.000 0.267 627 Q C -1.478 174.830 176.000 0.513 0.000 1.038 627 Q CA -0.484 55.532 55.803 0.356 0.000 0.832 627 Q CB 2.703 31.613 28.738 0.286 0.000 1.323 627 Q HN 0.745 nan 8.270 nan 0.000 0.448 628 F N -1.311 118.774 119.950 0.224 0.000 2.668 628 F HA 0.533 5.060 4.527 -0.000 0.000 0.309 628 F C -1.794 173.676 175.800 -0.551 0.000 1.117 628 F CA -1.428 56.464 58.000 -0.180 0.000 0.951 628 F CB 0.952 39.844 39.000 -0.179 0.000 1.323 628 F HN 0.468 nan 8.300 nan 0.000 0.451 629 Y N 2.530 122.157 120.300 -1.121 0.000 2.342 629 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 629 Y C -1.674 173.824 175.900 -0.669 0.000 1.067 629 Y CA -1.194 56.160 58.100 -1.244 0.000 1.128 629 Y CB 1.416 38.938 38.460 -1.564 0.000 1.200 629 Y HN 0.724 nan 8.280 nan 0.000 0.464 630 L N 9.030 129.390 121.223 -1.438 0.000 2.333 630 L HA 0.579 4.919 4.340 -0.000 0.000 0.280 630 L C -2.317 173.635 176.870 -1.529 0.000 1.004 630 L CA -2.772 51.258 54.840 -1.350 0.000 0.820 630 L CB 1.515 42.926 42.059 -1.080 0.000 1.247 630 L HN 0.594 nan 8.230 nan 0.000 0.416 631 P HA 0.043 nan 4.420 nan 0.000 0.272 631 P C -0.558 176.668 177.300 -0.124 0.000 1.254 631 P CA -0.511 62.260 63.100 -0.548 0.000 0.795 631 P CB 0.428 31.531 31.700 -0.994 0.000 1.022 632 E N 0.098 120.294 120.200 -0.007 0.000 2.568 632 E HA 0.259 4.609 4.350 -0.000 0.000 0.262 632 E C 0.170 176.869 176.600 0.165 0.000 0.961 632 E CA 0.770 57.223 56.400 0.089 0.000 0.945 632 E CB -0.420 29.337 29.700 0.095 0.000 0.924 632 E HN 0.642 nan 8.360 nan 0.000 0.467 633 G N 2.906 111.780 108.800 0.123 0.000 2.357 633 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.643 633 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.643 633 G C -1.250 173.700 174.900 0.084 0.000 1.358 633 G CA -0.595 44.513 45.100 0.013 0.000 0.986 633 G HN 0.614 nan 8.290 nan 0.000 0.620 634 R N -0.253 120.233 120.500 -0.023 0.000 2.215 634 R HA 0.594 4.934 4.340 -0.000 0.000 0.336 634 R C -0.828 175.485 176.300 0.021 0.000 0.996 634 R CA -0.638 55.503 56.100 0.068 0.000 0.847 634 R CB 0.464 30.792 30.300 0.047 0.000 1.127 634 R HN 0.478 nan 8.270 nan 0.000 0.465 635 W N 2.503 123.817 121.300 0.022 0.000 2.512 635 W HA 0.391 5.051 4.660 -0.000 0.000 0.335 635 W C -0.272 176.372 176.519 0.209 0.000 1.088 635 W CA -0.363 57.028 57.345 0.076 0.000 1.236 635 W CB 2.167 31.637 29.460 0.016 0.000 1.307 635 W HN 0.356 nan 8.180 nan 0.000 0.567 636 T N 2.202 117.025 114.554 0.448 0.000 2.841 636 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 636 T C -0.601 174.177 174.700 0.132 0.000 0.991 636 T CA -0.629 61.691 62.100 0.366 0.000 0.966 636 T CB 0.707 69.832 68.868 0.428 0.000 0.962 636 T HN 0.277 nan 8.240 nan 0.000 0.438 637 H N 3.354 122.292 119.070 -0.220 0.000 3.070 637 H HA 0.021 4.577 4.556 -0.000 0.000 0.313 637 H C 1.014 176.127 175.328 -0.357 0.000 0.997 637 H CA -0.255 55.338 56.048 -0.759 0.000 1.438 637 H CB 0.739 30.037 29.762 -0.773 0.000 1.455 637 H HN 0.525 nan 8.280 nan 0.000 0.575 638 L N 6.327 127.199 121.223 -0.585 0.000 2.051 638 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 638 L C 1.785 178.766 176.870 0.186 0.000 1.076 638 L CA 2.438 57.193 54.840 -0.142 0.000 0.758 638 L CB -0.533 41.455 42.059 -0.118 0.000 0.890 638 L HN 0.844 nan 8.230 nan 0.000 0.433 639 W N -4.700 116.679 121.300 0.132 0.000 2.835 639 W HA 0.258 4.918 4.660 -0.000 0.000 0.278 639 W C 1.911 178.423 176.519 -0.011 0.000 1.075 639 W CA -0.026 57.339 57.345 0.033 0.000 1.439 639 W CB -0.731 28.718 29.460 -0.019 0.000 0.927 639 W HN -0.050 nan 8.180 nan 0.000 0.604 640 H N 1.184 120.133 119.070 -0.201 0.000 2.495 640 H HA -0.016 4.539 4.556 -0.000 0.000 0.287 640 H C 0.833 176.135 175.328 -0.044 0.000 1.033 640 H CA 1.343 57.242 56.048 -0.248 0.000 1.307 640 H CB -0.389 28.997 29.762 -0.628 0.000 1.401 640 H HN 0.219 nan 8.280 nan 0.000 0.555 641 N N 1.015 119.795 118.700 0.133 0.000 2.815 641 N HA -0.174 4.566 4.740 -0.000 0.000 0.247 641 N C -0.575 175.027 175.510 0.153 0.000 1.030 641 N CA 1.061 54.206 53.050 0.158 0.000 0.881 641 N CB -1.023 37.547 38.487 0.137 0.000 1.134 641 N HN 0.707 nan 8.380 nan 0.000 0.582 642 D N 0.027 120.513 120.400 0.144 0.000 2.372 642 D HA 0.094 4.734 4.640 -0.000 0.000 0.243 642 D C -0.213 176.239 176.300 0.254 0.000 1.121 642 D CA 0.337 54.429 54.000 0.155 0.000 0.898 642 D CB 0.917 41.783 40.800 0.111 0.000 1.202 642 D HN 0.305 nan 8.370 nan 0.000 0.428 643 E N 0.598 120.924 120.200 0.210 0.000 2.207 643 E HA 0.592 4.942 4.350 -0.000 0.000 0.270 643 E C -0.667 176.023 176.600 0.150 0.000 0.927 643 E CA -0.901 55.633 56.400 0.225 0.000 0.799 643 E CB 2.287 32.084 29.700 0.162 0.000 1.172 643 E HN 0.376 nan 8.360 nan 0.000 0.404 644 L N 1.664 122.959 121.223 0.120 0.000 2.422 644 L HA 0.373 4.713 4.340 -0.000 0.000 0.264 644 L C -0.844 176.067 176.870 0.068 0.000 0.984 644 L CA -1.080 53.731 54.840 -0.048 0.000 0.819 644 L CB 2.131 43.897 42.059 -0.488 0.000 1.330 644 L HN 0.381 nan 8.230 nan 0.000 0.410 645 D N 1.624 122.083 120.400 0.099 0.000 2.304 645 D HA 0.342 4.982 4.640 -0.000 0.000 0.250 645 D C 0.244 176.622 176.300 0.130 0.000 1.107 645 D CA 0.203 54.276 54.000 0.121 0.000 0.885 645 D CB 2.134 42.983 40.800 0.082 0.000 1.192 645 D HN 0.664 nan 8.370 nan 0.000 0.436 646 G N -0.374 108.497 108.800 0.118 0.000 2.525 646 G HA2 0.332 4.292 3.960 -0.000 0.000 0.287 646 G HA3 0.332 4.292 3.960 -0.000 0.000 0.287 646 G C 0.359 175.181 174.900 -0.130 0.000 1.350 646 G CA 0.059 45.153 45.100 -0.010 0.000 1.039 646 G HN 0.569 nan 8.290 nan 0.000 0.513 647 S N -1.970 113.548 115.700 -0.303 0.000 3.593 647 S HA -0.174 4.296 4.470 -0.000 0.000 0.301 647 S C 0.371 174.914 174.600 -0.095 0.000 1.209 647 S CA 1.773 59.884 58.200 -0.148 0.000 0.878 647 S CB -1.414 61.788 63.200 0.003 0.000 1.000 647 S HN 1.477 nan 8.310 nan 0.000 0.578 648 R N -1.584 118.679 120.500 -0.395 0.000 2.733 648 R HA 0.587 4.927 4.340 -0.000 0.000 0.272 648 R C -1.206 174.810 176.300 -0.473 0.000 1.029 648 R CA -1.141 54.834 56.100 -0.207 0.000 0.888 648 R CB -0.060 30.095 30.300 -0.242 0.000 1.251 648 R HN 0.185 nan 8.270 nan 0.000 0.464 649 W N 0.791 121.888 121.300 -0.339 0.000 2.303 649 W HA 0.439 5.099 4.660 -0.000 0.000 0.334 649 W C 0.362 176.409 176.519 -0.786 0.000 1.197 649 W CA 0.522 57.617 57.345 -0.416 0.000 1.262 649 W CB 0.813 30.154 29.460 -0.199 0.000 1.153 649 W HN 0.302 nan 8.180 nan 0.000 0.596 650 H N 1.251 120.063 119.070 -0.430 0.000 2.895 650 H HA 0.331 4.887 4.556 -0.000 0.000 0.373 650 H C -1.137 173.950 175.328 -0.403 0.000 1.174 650 H CA -1.132 54.581 56.048 -0.558 0.000 1.144 650 H CB 2.511 31.658 29.762 -1.025 0.000 1.793 650 H HN 0.260 nan 8.280 nan 0.000 0.551 651 K N 2.222 122.600 120.400 -0.037 0.000 2.376 651 K HA 0.384 4.704 4.320 -0.000 0.000 0.257 651 K C -1.059 175.611 176.600 0.117 0.000 0.939 651 K CA -0.401 55.919 56.287 0.056 0.000 0.809 651 K CB 1.581 34.101 32.500 0.034 0.000 1.121 651 K HN 0.618 nan 8.250 nan 0.000 0.425 652 Q N 1.847 121.777 119.800 0.217 0.000 2.605 652 Q HA 0.275 4.615 4.340 -0.000 0.000 0.296 652 Q C -1.577 174.515 176.000 0.153 0.000 1.056 652 Q CA -1.082 54.834 55.803 0.187 0.000 0.778 652 Q CB 2.765 31.693 28.738 0.318 0.000 1.497 652 Q HN 0.549 nan 8.270 nan 0.000 0.443 653 Q N 0.717 120.519 119.800 0.004 0.000 2.321 653 Q HA 0.355 4.695 4.340 -0.000 0.000 0.270 653 Q C -1.690 174.205 176.000 -0.175 0.000 1.032 653 Q CA -0.369 55.426 55.803 -0.012 0.000 0.784 653 Q CB 1.381 30.094 28.738 -0.042 0.000 1.264 653 Q HN 0.588 nan 8.270 nan 0.000 0.448 654 H N 1.997 121.047 119.070 -0.033 0.000 2.600 654 H HA 0.394 4.950 4.556 -0.000 0.000 0.357 654 H C -0.097 175.162 175.328 -0.115 0.000 1.106 654 H CA -0.532 55.494 56.048 -0.035 0.000 1.193 654 H CB 2.089 31.870 29.762 0.033 0.000 1.594 654 H HN 0.888 nan 8.280 nan 0.000 0.526 655 G N 0.609 109.399 108.800 -0.016 0.000 2.588 655 G HA2 0.106 4.066 3.960 -0.000 0.000 0.278 655 G HA3 0.106 4.066 3.960 -0.000 0.000 0.278 655 G C 0.253 175.137 174.900 -0.027 0.000 1.307 655 G CA -0.375 44.647 45.100 -0.130 0.000 1.016 655 G HN 0.484 nan 8.290 nan 0.000 0.503 656 F N -1.153 118.915 119.950 0.197 0.000 2.604 656 F HA 0.102 4.629 4.527 -0.000 0.000 0.298 656 F C 2.067 178.044 175.800 0.295 0.000 1.131 656 F CA 0.142 58.286 58.000 0.241 0.000 1.457 656 F CB 0.117 39.252 39.000 0.224 0.000 1.095 656 F HN 0.027 nan 8.300 nan 0.000 0.574 657 L N -1.218 120.195 121.223 0.317 0.000 2.611 657 L HA 0.201 4.541 4.340 -0.000 0.000 0.229 657 L C 0.617 177.657 176.870 0.284 0.000 1.137 657 L CA 0.164 55.033 54.840 0.049 0.000 0.901 657 L CB -1.189 40.643 42.059 -0.377 0.000 1.098 657 L HN -0.021 nan 8.230 nan 0.000 0.456 658 S N -0.034 115.997 115.700 0.552 0.000 2.588 658 S HA 0.895 5.365 4.470 -0.000 0.000 0.275 658 S C -1.046 173.837 174.600 0.471 0.000 1.130 658 S CA -0.569 58.067 58.200 0.726 0.000 0.855 658 S CB 1.473 65.103 63.200 0.717 0.000 1.116 658 S HN 0.127 nan 8.310 nan 0.000 0.472 659 L N -0.583 120.756 121.223 0.192 0.000 2.775 659 L HA 0.716 5.056 4.340 -0.000 0.000 0.263 659 L C -3.156 173.390 176.870 -0.540 0.000 1.017 659 L CA -2.400 52.148 54.840 -0.486 0.000 0.891 659 L CB 1.533 43.497 42.059 -0.158 0.000 1.482 659 L HN 0.338 nan 8.230 nan 0.000 0.410 660 P HA 0.195 nan 4.420 nan 0.000 0.264 660 P C -0.898 176.153 177.300 -0.414 0.000 1.229 660 P CA 0.111 62.980 63.100 -0.384 0.000 0.780 660 P CB 0.765 31.929 31.700 -0.894 0.000 0.808 661 V N 5.970 125.467 119.914 -0.695 0.000 2.385 661 V HA 0.296 4.416 4.120 -0.000 0.000 0.277 661 V C -0.810 174.709 176.094 -0.958 0.000 1.012 661 V CA -0.494 61.393 62.300 -0.688 0.000 0.832 661 V CB 0.266 31.777 31.823 -0.519 0.000 1.028 661 V HN 0.376 nan 8.190 nan 0.000 0.436 662 Y N 2.579 122.643 120.300 -0.393 0.000 2.364 662 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 662 Y C 0.104 176.056 175.900 0.087 0.000 0.975 662 Y CA -0.843 57.165 58.100 -0.154 0.000 1.089 662 Y CB 2.320 40.716 38.460 -0.107 0.000 1.192 662 Y HN 0.381 nan 8.280 nan 0.000 0.454 663 V N 5.021 124.955 119.914 0.035 0.000 2.394 663 V HA 0.406 4.526 4.120 -0.000 0.000 0.282 663 V C 0.070 175.945 176.094 -0.365 0.000 1.031 663 V CA -1.199 60.920 62.300 -0.302 0.000 0.881 663 V CB 0.923 32.112 31.823 -1.057 0.000 0.982 663 V HN 0.772 nan 8.190 nan 0.000 0.451 664 R N 2.425 122.477 120.500 -0.746 0.000 2.784 664 R HA 0.192 4.532 4.340 -0.000 0.000 0.266 664 R C -0.244 175.645 176.300 -0.684 0.000 1.044 664 R CA -0.550 54.700 56.100 -1.416 0.000 1.151 664 R CB 0.230 29.802 30.300 -1.213 0.000 1.037 664 R HN 0.791 nan 8.270 nan 0.000 0.478 665 D N 0.563 120.595 120.400 -0.613 0.000 2.363 665 D HA -0.062 4.578 4.640 -0.000 0.000 0.240 665 D C -0.265 175.926 176.300 -0.182 0.000 1.236 665 D CA -0.350 53.485 54.000 -0.274 0.000 0.927 665 D CB 0.105 40.764 40.800 -0.235 0.000 1.150 665 D HN 0.704 nan 8.370 nan 0.000 0.458 666 N N -1.130 117.517 118.700 -0.090 0.000 2.740 666 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 666 N C -0.907 174.610 175.510 0.011 0.000 1.062 666 N CA 0.986 54.015 53.050 -0.036 0.000 0.704 666 N CB -1.722 36.734 38.487 -0.052 0.000 0.968 666 N HN 0.553 nan 8.380 nan 0.000 0.547 667 T N 0.970 115.558 114.554 0.058 0.000 2.829 667 T HA 0.568 4.918 4.350 -0.000 0.000 0.280 667 T C -0.082 174.755 174.700 0.228 0.000 0.999 667 T CA -0.541 61.615 62.100 0.093 0.000 0.983 667 T CB 2.291 71.147 68.868 -0.020 0.000 0.968 667 T HN 0.154 nan 8.240 nan 0.000 0.446 668 L N 4.491 125.829 121.223 0.192 0.000 2.342 668 L HA 0.725 5.065 4.340 -0.000 0.000 0.276 668 L C -1.499 175.540 176.870 0.282 0.000 0.997 668 L CA -0.802 54.183 54.840 0.242 0.000 0.838 668 L CB 1.124 43.269 42.059 0.143 0.000 1.224 668 L HN 0.529 nan 8.230 nan 0.000 0.416 669 L N 4.714 126.157 121.223 0.366 0.000 2.346 669 L HA 0.931 5.271 4.340 -0.000 0.000 0.274 669 L C -0.534 176.523 176.870 0.313 0.000 1.007 669 L CA -0.256 54.755 54.840 0.284 0.000 0.818 669 L CB 1.916 44.102 42.059 0.212 0.000 1.284 669 L HN 0.715 nan 8.230 nan 0.000 0.424 670 A N 4.816 127.760 122.820 0.206 0.000 2.288 670 A HA 0.738 5.058 4.320 -0.000 0.000 0.320 670 A C -1.369 176.224 177.584 0.015 0.000 1.217 670 A CA -0.432 51.607 52.037 0.004 0.000 0.840 670 A CB 0.494 19.448 19.000 -0.076 0.000 1.179 670 A HN 0.525 nan 8.150 nan 0.000 0.504 671 L N 2.052 123.284 121.223 0.014 0.000 2.334 671 L HA 0.727 5.067 4.340 -0.000 0.000 0.276 671 L C 0.899 177.802 176.870 0.056 0.000 1.014 671 L CA -0.020 54.853 54.840 0.055 0.000 0.815 671 L CB 1.664 43.780 42.059 0.094 0.000 1.268 671 L HN 0.818 nan 8.230 nan 0.000 0.428 672 G N 0.618 109.511 108.800 0.155 0.000 2.521 672 G HA2 0.393 4.353 3.960 -0.000 0.000 0.323 672 G HA3 0.393 4.353 3.960 -0.000 0.000 0.323 672 G C 0.118 175.133 174.900 0.192 0.000 1.211 672 G CA -0.426 44.859 45.100 0.309 0.000 0.979 672 G HN 0.707 nan 8.290 nan 0.000 0.490 673 N N -0.453 118.336 118.700 0.148 0.000 2.321 673 N HA 0.058 4.798 4.740 -0.000 0.000 0.242 673 N C -0.363 175.026 175.510 -0.201 0.000 1.141 673 N CA -0.591 52.449 53.050 -0.016 0.000 0.864 673 N CB 0.401 38.891 38.487 0.005 0.000 1.100 673 N HN 0.307 nan 8.380 nan 0.000 0.510 674 N N 1.018 119.437 118.700 -0.469 0.000 2.461 674 N HA 0.089 4.828 4.740 -0.000 0.000 0.284 674 N C -1.060 174.193 175.510 -0.428 0.000 1.049 674 N CA -0.322 52.342 53.050 -0.643 0.000 0.889 674 N CB 1.601 39.331 38.487 -1.261 0.000 1.365 674 N HN 0.189 nan 8.380 nan 0.000 0.499 675 D N 1.876 122.148 120.400 -0.213 0.000 2.402 675 D HA 0.074 4.714 4.640 -0.000 0.000 0.216 675 D C 0.317 176.593 176.300 -0.041 0.000 1.128 675 D CA 0.336 54.272 54.000 -0.107 0.000 0.833 675 D CB 0.517 41.255 40.800 -0.102 0.000 0.971 675 D HN 0.336 nan 8.370 nan 0.000 0.503 676 Q N 0.279 120.052 119.800 -0.046 0.000 2.378 676 Q HA 0.186 4.526 4.340 -0.000 0.000 0.229 676 Q C 0.531 176.657 176.000 0.210 0.000 0.882 676 Q CA 0.454 56.292 55.803 0.058 0.000 0.936 676 Q CB 1.337 30.081 28.738 0.011 0.000 1.092 676 Q HN 0.533 nan 8.270 nan 0.000 0.535 677 R N -0.827 119.736 120.500 0.104 0.000 2.739 677 R HA 0.403 4.743 4.340 -0.000 0.000 0.271 677 R C -2.562 173.839 176.300 0.169 0.000 1.010 677 R CA -1.426 54.728 56.100 0.089 0.000 0.897 677 R CB 1.150 31.541 30.300 0.151 0.000 1.236 677 R HN -0.313 nan 8.270 nan 0.000 0.466 678 P HA -0.042 nan 4.420 nan 0.000 0.222 678 P C -0.642 176.892 177.300 0.391 0.000 1.157 678 P CA 0.920 64.179 63.100 0.265 0.000 0.816 678 P CB 0.054 31.841 31.700 0.145 0.000 0.813 679 D N 0.728 121.285 120.400 0.261 0.000 2.467 679 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 679 D C -0.124 176.152 176.300 -0.041 0.000 1.103 679 D CA -0.811 53.205 54.000 0.025 0.000 0.886 679 D CB -0.026 40.803 40.800 0.047 0.000 1.025 679 D HN 0.257 nan 8.370 nan 0.000 0.514 680 Y N -1.262 118.754 120.300 -0.473 0.000 2.840 680 Y HA 0.509 5.058 4.550 -0.000 0.000 0.324 680 Y C -0.579 174.857 175.900 -0.774 0.000 1.378 680 Y CA -1.712 56.124 58.100 -0.439 0.000 1.077 680 Y CB 0.606 38.961 38.460 -0.176 0.000 1.361 680 Y HN 0.005 nan 8.280 nan 0.000 0.459 681 V N -0.771 118.972 119.914 -0.286 0.000 2.313 681 V HA 0.110 4.230 4.120 -0.000 0.000 0.252 681 V C 0.031 175.978 176.094 -0.245 0.000 1.112 681 V CA -0.767 61.305 62.300 -0.379 0.000 0.984 681 V CB -0.646 30.992 31.823 -0.308 0.000 1.157 681 V HN 0.872 nan 8.190 nan 0.000 0.493 682 W N 3.408 124.588 121.300 -0.201 0.000 2.392 682 W HA -0.075 4.585 4.660 -0.000 0.000 0.279 682 W C 2.217 178.708 176.519 -0.047 0.000 1.225 682 W CA 1.745 58.978 57.345 -0.187 0.000 1.233 682 W CB -0.657 28.671 29.460 -0.221 0.000 1.122 682 W HN 0.957 nan 8.180 nan 0.000 0.561 683 H N -1.022 118.136 119.070 0.147 0.000 2.524 683 H HA 0.317 4.873 4.556 -0.000 0.000 0.280 683 H C -0.637 174.715 175.328 0.040 0.000 1.018 683 H CA 0.354 56.446 56.048 0.073 0.000 1.165 683 H CB -0.277 29.523 29.762 0.063 0.000 1.411 683 H HN 0.102 nan 8.280 nan 0.000 0.569 684 E N 0.323 120.437 120.200 -0.144 0.000 2.218 684 E HA 0.391 4.741 4.350 -0.000 0.000 0.263 684 E C -0.024 176.592 176.600 0.026 0.000 0.879 684 E CA -0.475 55.882 56.400 -0.071 0.000 0.762 684 E CB 1.925 31.522 29.700 -0.172 0.000 1.166 684 E HN 0.455 nan 8.360 nan 0.000 0.415 685 G N 2.880 111.722 108.800 0.070 0.000 2.136 685 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 685 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 685 G C 0.297 175.246 174.900 0.082 0.000 0.989 685 G CA 0.206 45.348 45.100 0.070 0.000 0.682 685 G HN 0.477 nan 8.290 nan 0.000 0.522 686 T N 0.932 115.539 114.554 0.088 0.000 2.888 686 T HA 0.519 4.869 4.350 -0.000 0.000 0.301 686 T C 0.619 175.266 174.700 -0.088 0.000 1.001 686 T CA 0.754 62.804 62.100 -0.083 0.000 1.147 686 T CB 1.632 70.332 68.868 -0.280 0.000 0.931 686 T HN 1.423 nan 8.240 nan 0.000 0.541 687 A N 4.127 126.867 122.820 -0.134 0.000 2.412 687 A HA 0.628 4.948 4.320 -0.000 0.000 0.334 687 A C -0.278 177.247 177.584 -0.097 0.000 1.419 687 A CA -0.744 51.275 52.037 -0.030 0.000 0.930 687 A CB -0.271 18.785 19.000 0.094 0.000 1.149 687 A HN 0.708 nan 8.150 nan 0.000 0.515 688 F N 1.873 121.886 119.950 0.105 0.000 2.418 688 F HA 0.349 4.876 4.527 -0.000 0.000 0.341 688 F C 1.052 176.785 175.800 -0.111 0.000 1.120 688 F CA 0.754 58.809 58.000 0.093 0.000 1.232 688 F CB 0.787 39.851 39.000 0.106 0.000 1.175 688 F HN 0.479 nan 8.300 nan 0.000 0.569 689 H N 3.170 122.387 119.070 0.245 0.000 2.934 689 H HA 0.366 4.922 4.556 -0.000 0.000 0.340 689 H C -1.433 173.868 175.328 -0.045 0.000 1.008 689 H CA -0.822 55.226 56.048 0.001 0.000 1.317 689 H CB 2.322 32.058 29.762 -0.044 0.000 1.670 689 H HN 0.471 nan 8.280 nan 0.000 0.516 690 L N 4.001 125.149 121.223 -0.124 0.000 2.313 690 L HA 0.477 4.817 4.340 -0.000 0.000 0.283 690 L C -1.608 175.162 176.870 -0.167 0.000 1.013 690 L CA -0.294 54.538 54.840 -0.013 0.000 0.816 690 L CB 0.564 42.629 42.059 0.010 0.000 1.236 690 L HN 0.328 nan 8.230 nan 0.000 0.419 691 F N 4.201 124.172 119.950 0.036 0.000 2.427 691 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 691 F C 0.772 176.555 175.800 -0.028 0.000 1.125 691 F CA -0.679 57.327 58.000 0.010 0.000 0.989 691 F CB 1.050 40.039 39.000 -0.018 0.000 1.165 691 F HN 0.649 nan 8.300 nan 0.000 0.442 692 N N 2.847 121.613 118.700 0.109 0.000 2.686 692 N HA -0.229 4.511 4.740 -0.000 0.000 0.261 692 N C -0.719 174.786 175.510 -0.008 0.000 1.001 692 N CA -0.181 52.893 53.050 0.040 0.000 0.764 692 N CB -0.401 38.104 38.487 0.030 0.000 0.898 692 N HN 0.497 nan 8.380 nan 0.000 0.544 693 L N 1.569 122.796 121.223 0.005 0.000 2.500 693 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 693 L C 0.793 177.644 176.870 -0.032 0.000 1.149 693 L CA 0.623 55.458 54.840 -0.008 0.000 0.897 693 L CB 0.438 42.511 42.059 0.023 0.000 1.178 693 L HN 0.295 nan 8.230 nan 0.000 0.473 694 Q N 2.529 122.264 119.800 -0.109 0.000 2.260 694 Q HA 0.100 4.440 4.340 -0.000 0.000 0.242 694 Q C -0.399 175.641 176.000 0.067 0.000 0.932 694 Q CA -0.747 54.994 55.803 -0.103 0.000 0.891 694 Q CB 1.212 29.739 28.738 -0.352 0.000 1.222 694 Q HN 0.463 nan 8.270 nan 0.000 0.453 695 D N 0.191 120.640 120.400 0.082 0.000 2.531 695 D HA 0.036 4.676 4.640 -0.000 0.000 0.239 695 D C 0.813 177.230 176.300 0.194 0.000 1.144 695 D CA 1.960 56.024 54.000 0.106 0.000 0.869 695 D CB 0.254 41.095 40.800 0.068 0.000 1.160 695 D HN 0.728 nan 8.370 nan 0.000 0.484 696 G N 3.058 111.932 108.800 0.123 0.000 2.175 696 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.244 696 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.244 696 G C 0.330 175.200 174.900 -0.051 0.000 0.982 696 G CA 0.255 45.379 45.100 0.041 0.000 0.641 696 G HN 0.725 nan 8.290 nan 0.000 0.527 697 H N 0.048 119.116 119.070 -0.003 0.000 2.616 697 H HA 0.635 5.191 4.556 -0.000 0.000 0.353 697 H C -0.568 174.755 175.328 -0.008 0.000 1.170 697 H CA -0.392 55.653 56.048 -0.005 0.000 1.212 697 H CB 2.134 31.894 29.762 -0.004 0.000 1.653 697 H HN 0.355 nan 8.280 nan 0.000 0.537 698 E N 0.858 121.114 120.200 0.093 0.000 2.248 698 E HA 0.571 4.921 4.350 -0.000 0.000 0.267 698 E C -1.621 175.008 176.600 0.048 0.000 0.877 698 E CA -1.020 55.407 56.400 0.045 0.000 0.759 698 E CB 1.915 31.616 29.700 0.001 0.000 1.182 698 E HN 0.695 nan 8.360 nan 0.000 0.418 699 A N 3.341 126.181 122.820 0.032 0.000 2.318 699 A HA 0.603 4.923 4.320 -0.000 0.000 0.324 699 A C -1.062 176.524 177.584 0.004 0.000 1.170 699 A CA -0.591 51.465 52.037 0.031 0.000 0.810 699 A CB 1.309 20.341 19.000 0.053 0.000 1.198 699 A HN 0.348 nan 8.150 nan 0.000 0.484 700 V N 1.243 121.159 119.914 0.004 0.000 2.540 700 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 700 V C -0.452 175.650 176.094 0.013 0.000 1.035 700 V CA -0.609 61.677 62.300 -0.023 0.000 0.873 700 V CB 1.411 33.212 31.823 -0.038 0.000 0.992 700 V HN 1.051 nan 8.190 nan 0.000 0.428 701 C N 4.662 123.962 119.300 0.001 0.000 2.364 701 C HA 0.623 5.083 4.460 -0.000 0.000 0.324 701 C C -0.300 174.722 174.990 0.053 0.000 1.234 701 C CA -0.355 58.714 59.018 0.086 0.000 1.417 701 C CB 0.374 28.238 27.740 0.207 0.000 2.101 701 C HN 1.006 nan 8.230 nan 0.000 0.466 702 E N 4.312 124.552 120.200 0.067 0.000 2.129 702 E HA 0.425 4.775 4.350 -0.000 0.000 0.268 702 E C -0.799 175.870 176.600 0.116 0.000 0.900 702 E CA -0.414 56.017 56.400 0.051 0.000 0.755 702 E CB 1.825 31.526 29.700 0.003 0.000 1.117 702 E HN 0.585 nan 8.360 nan 0.000 0.410 703 V N 5.711 125.747 119.914 0.203 0.000 2.461 703 V HA 0.240 4.360 4.120 -0.000 0.000 0.275 703 V C -1.881 174.335 176.094 0.203 0.000 1.047 703 V CA -1.686 60.753 62.300 0.233 0.000 0.955 703 V CB 0.692 32.734 31.823 0.366 0.000 0.988 703 V HN 0.583 nan 8.190 nan 0.000 0.471 704 P HA 0.421 nan 4.420 nan 0.000 0.281 704 P C -0.459 177.084 177.300 0.405 0.000 1.249 704 P CA -0.301 62.951 63.100 0.253 0.000 0.810 704 P CB 1.463 33.309 31.700 0.244 0.000 1.008 705 A N 2.036 125.027 122.820 0.285 0.000 2.250 705 A HA 0.523 4.843 4.320 -0.000 0.000 0.283 705 A C 1.723 179.502 177.584 0.324 0.000 1.206 705 A CA 0.236 52.407 52.037 0.223 0.000 0.840 705 A CB -0.629 18.424 19.000 0.088 0.000 1.220 705 A HN 0.503 nan 8.150 nan 0.000 0.505 706 A N -0.428 122.443 122.820 0.086 0.000 2.019 706 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 706 A C 1.306 179.038 177.584 0.246 0.000 1.164 706 A CA 2.053 54.095 52.037 0.008 0.000 0.644 706 A CB -0.683 18.226 19.000 -0.152 0.000 0.805 706 A HN 0.851 nan 8.150 nan 0.000 0.449 707 D N -2.652 117.877 120.400 0.216 0.000 2.340 707 D HA 0.294 4.934 4.640 -0.000 0.000 0.220 707 D C 1.176 177.610 176.300 0.224 0.000 1.039 707 D CA 0.972 55.097 54.000 0.209 0.000 0.866 707 D CB -0.356 40.513 40.800 0.116 0.000 0.913 707 D HN 0.700 nan 8.370 nan 0.000 0.523 708 G N 0.178 109.161 108.800 0.305 0.000 2.234 708 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.235 708 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.235 708 G C 0.500 175.455 174.900 0.090 0.000 0.997 708 G CA 0.319 45.512 45.100 0.155 0.000 0.623 708 G HN 0.831 nan 8.290 nan 0.000 0.514 709 S N -0.186 115.571 115.700 0.095 0.000 2.584 709 S HA 0.547 5.017 4.470 -0.000 0.000 0.270 709 S C 0.500 175.142 174.600 0.069 0.000 1.346 709 S CA -0.026 58.209 58.200 0.058 0.000 1.018 709 S CB 2.004 65.232 63.200 0.046 0.000 0.899 709 S HN 1.108 nan 8.310 nan 0.000 0.542 710 V N 2.922 122.861 119.914 0.041 0.000 2.455 710 V HA 0.191 4.311 4.120 -0.000 0.000 0.273 710 V C 1.108 177.231 176.094 0.048 0.000 1.045 710 V CA -0.108 62.219 62.300 0.046 0.000 0.976 710 V CB 0.571 32.401 31.823 0.011 0.000 0.993 710 V HN 0.980 nan 8.190 nan 0.000 0.475 711 I N 4.165 124.780 120.570 0.075 0.000 3.462 711 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 711 I C -0.026 176.177 176.117 0.143 0.000 1.236 711 I CA 0.527 61.849 61.300 0.038 0.000 1.418 711 I CB 0.475 38.414 38.000 -0.102 0.000 1.102 711 I HN 0.571 nan 8.210 nan 0.000 0.441 712 F N -0.135 119.803 119.950 -0.020 0.000 2.635 712 F HA 0.393 4.920 4.527 -0.000 0.000 0.314 712 F C -1.139 174.638 175.800 -0.038 0.000 1.119 712 F CA -0.419 57.564 58.000 -0.029 0.000 1.000 712 F CB 1.637 40.634 39.000 -0.004 0.000 1.278 712 F HN -0.403 nan 8.300 nan 0.000 0.446 713 T N 6.687 120.805 114.554 -0.727 0.000 2.824 713 T HA 0.547 4.897 4.350 -0.000 0.000 0.282 713 T C -1.452 172.683 174.700 -0.940 0.000 0.993 713 T CA -0.592 61.156 62.100 -0.587 0.000 0.967 713 T CB 1.496 70.158 68.868 -0.342 0.000 0.960 713 T HN 0.526 nan 8.240 nan 0.000 0.441 714 L N 3.596 124.418 121.223 -0.668 0.000 2.362 714 L HA 0.606 4.946 4.340 -0.000 0.000 0.275 714 L C -0.778 175.880 176.870 -0.353 0.000 0.998 714 L CA -0.751 53.696 54.840 -0.655 0.000 0.820 714 L CB 1.700 43.226 42.059 -0.888 0.000 1.270 714 L HN 0.623 nan 8.230 nan 0.000 0.415 715 K N 3.513 123.755 120.400 -0.262 0.000 2.316 715 K HA 0.781 5.100 4.320 -0.000 0.000 0.251 715 K C -1.024 175.518 176.600 -0.096 0.000 0.934 715 K CA -0.718 55.482 56.287 -0.146 0.000 0.802 715 K CB 2.681 35.112 32.500 -0.115 0.000 1.171 715 K HN 0.586 nan 8.250 nan 0.000 0.426 716 A N 1.464 124.254 122.820 -0.051 0.000 2.332 716 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 716 A C -1.122 176.462 177.584 0.001 0.000 1.153 716 A CA -0.666 51.361 52.037 -0.018 0.000 0.764 716 A CB 1.217 20.216 19.000 -0.001 0.000 1.174 716 A HN 0.724 nan 8.150 nan 0.000 0.467 717 A N 2.725 125.547 122.820 0.003 0.000 2.318 717 A HA 0.776 5.095 4.320 -0.000 0.000 0.317 717 A C -0.093 177.503 177.584 0.021 0.000 1.159 717 A CA -0.630 51.414 52.037 0.012 0.000 0.799 717 A CB 0.818 19.817 19.000 -0.002 0.000 1.194 717 A HN 0.854 nan 8.150 nan 0.000 0.479 718 R N 2.242 122.763 120.500 0.036 0.000 2.343 718 R HA 0.522 4.862 4.340 -0.000 0.000 0.320 718 R C -0.154 176.167 176.300 0.035 0.000 0.956 718 R CA -0.191 55.931 56.100 0.037 0.000 0.836 718 R CB 1.214 31.542 30.300 0.046 0.000 1.151 718 R HN 0.752 nan 8.270 nan 0.000 0.450 719 T N 1.438 116.006 114.554 0.024 0.000 3.111 719 T HA 0.216 4.566 4.350 -0.000 0.000 0.236 719 T C 0.840 175.553 174.700 0.021 0.000 0.984 719 T CA 0.651 62.762 62.100 0.018 0.000 1.195 719 T CB 0.397 69.271 68.868 0.010 0.000 0.929 719 T HN 0.714 nan 8.240 nan 0.000 0.431 720 G N 1.014 109.826 108.800 0.018 0.000 2.542 720 G HA2 0.158 4.118 3.960 -0.000 0.000 0.208 720 G HA3 0.158 4.118 3.960 -0.000 0.000 0.208 720 G C 0.363 175.274 174.900 0.019 0.000 1.976 720 G CA -0.219 44.892 45.100 0.018 0.000 0.722 720 G HN 0.238 nan 8.290 nan 0.000 0.798 721 N N 1.193 119.902 118.700 0.016 0.000 2.279 721 N HA 0.203 4.943 4.740 -0.000 0.000 0.226 721 N C -0.641 174.877 175.510 0.014 0.000 1.126 721 N CA 0.207 53.266 53.050 0.015 0.000 0.846 721 N CB 1.000 39.495 38.487 0.013 0.000 1.050 721 N HN 0.117 nan 8.380 nan 0.000 0.502 722 T N 1.195 115.758 114.554 0.015 0.000 2.770 722 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 722 T C 0.414 175.123 174.700 0.016 0.000 0.988 722 T CA -0.322 61.786 62.100 0.014 0.000 0.957 722 T CB 1.481 70.356 68.868 0.011 0.000 0.930 722 T HN -0.034 nan 8.240 nan 0.000 0.443 723 I N 3.744 124.324 120.570 0.016 0.000 2.330 723 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 723 I C 0.379 176.506 176.117 0.016 0.000 1.025 723 I CA -0.603 60.708 61.300 0.017 0.000 1.197 723 I CB 1.109 39.120 38.000 0.019 0.000 1.358 723 I HN 0.524 nan 8.210 nan 0.000 0.467 724 T N 5.659 120.221 114.554 0.012 0.000 2.817 724 T HA 0.407 4.757 4.350 -0.000 0.000 0.293 724 T C 0.005 174.709 174.700 0.007 0.000 0.964 724 T CA -0.451 61.655 62.100 0.011 0.000 1.085 724 T CB 1.737 70.608 68.868 0.005 0.000 0.921 724 T HN 0.178 nan 8.240 nan 0.000 0.502 725 V N 3.959 123.884 119.914 0.018 0.000 2.407 725 V HA 0.637 4.757 4.120 -0.000 0.000 0.291 725 V C 0.335 176.440 176.094 0.019 0.000 1.018 725 V CA -0.835 61.474 62.300 0.015 0.000 0.842 725 V CB 1.567 33.425 31.823 0.060 0.000 0.996 725 V HN 1.118 nan 8.190 nan 0.000 0.426 726 T N 1.616 116.148 114.554 -0.037 0.000 2.861 726 T HA 0.822 5.172 4.350 -0.000 0.000 0.287 726 T C -0.146 174.458 174.700 -0.159 0.000 1.003 726 T CA -0.394 61.678 62.100 -0.047 0.000 0.977 726 T CB 1.819 70.657 68.868 -0.050 0.000 0.996 726 T HN 0.909 nan 8.240 nan 0.000 0.448 727 G N 0.797 109.516 108.800 -0.134 0.000 2.495 727 G HA2 0.784 4.744 3.960 -0.000 0.000 0.318 727 G HA3 0.784 4.744 3.960 -0.000 0.000 0.318 727 G C -1.050 173.675 174.900 -0.292 0.000 1.257 727 G CA -0.862 44.003 45.100 -0.391 0.000 0.962 727 G HN 1.232 nan 8.290 nan 0.000 0.483 728 A N 0.545 123.028 122.820 -0.562 0.000 2.427 728 A HA 1.021 5.341 4.320 -0.000 0.000 0.298 728 A C 0.387 177.857 177.584 -0.190 0.000 1.036 728 A CA 0.415 52.310 52.037 -0.237 0.000 0.701 728 A CB 1.325 20.212 19.000 -0.187 0.000 1.250 728 A HN 2.618 nan 8.150 nan 0.000 0.412 729 G N 0.776 109.626 108.800 0.084 0.000 2.384 729 G HA2 0.186 4.145 3.960 -0.000 0.000 0.200 729 G HA3 0.186 4.145 3.960 -0.000 0.000 0.200 729 G C -0.410 174.710 174.900 0.367 0.000 1.205 729 G CA 0.025 45.244 45.100 0.199 0.000 1.116 729 G HN 1.362 nan 8.290 nan 0.000 0.547 730 E N 0.308 120.699 120.200 0.317 0.000 2.155 730 E HA 0.660 5.010 4.350 -0.000 0.000 0.264 730 E C -0.289 176.332 176.600 0.035 0.000 0.886 730 E CA -0.215 56.278 56.400 0.155 0.000 0.752 730 E CB 1.065 30.788 29.700 0.038 0.000 1.133 730 E HN 1.762 nan 8.360 nan 0.000 0.414 731 A N 4.523 127.301 122.820 -0.070 0.000 2.589 731 A HA 0.602 4.922 4.320 -0.000 0.000 0.296 731 A C -1.462 176.196 177.584 0.125 0.000 1.062 731 A CA -0.848 51.057 52.037 -0.220 0.000 0.686 731 A CB 1.758 19.876 19.000 -1.470 0.000 1.282 731 A HN 0.549 nan 8.150 nan 0.000 0.404 732 K N 0.882 121.412 120.400 0.217 0.000 2.469 732 K HA 0.469 4.789 4.320 -0.000 0.000 0.254 732 K C -0.073 176.631 176.600 0.173 0.000 0.939 732 K CA -0.786 55.606 56.287 0.175 0.000 0.812 732 K CB 1.720 34.268 32.500 0.080 0.000 1.301 732 K HN 0.913 nan 8.250 nan 0.000 0.433 733 N N 2.360 121.075 118.700 0.025 0.000 2.727 733 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 733 N C -0.917 174.635 175.510 0.070 0.000 1.048 733 N CA 0.439 53.478 53.050 -0.018 0.000 0.714 733 N CB -0.182 38.307 38.487 0.004 0.000 0.959 733 N HN 0.496 nan 8.380 nan 0.000 0.544 734 W N -0.182 121.147 121.300 0.048 0.000 2.497 734 W HA 0.696 5.356 4.660 -0.000 0.000 0.359 734 W C 0.013 176.619 176.519 0.144 0.000 1.131 734 W CA -0.462 56.956 57.345 0.122 0.000 1.280 734 W CB 0.740 30.369 29.460 0.282 0.000 1.319 734 W HN -0.006 nan 8.180 nan 0.000 0.626 735 T N 0.873 115.751 114.554 0.540 0.000 2.864 735 T HA 0.548 4.898 4.350 -0.000 0.000 0.299 735 T C -2.042 172.925 174.700 0.445 0.000 1.166 735 T CA -0.694 61.587 62.100 0.302 0.000 1.007 735 T CB 1.853 70.787 68.868 0.110 0.000 1.219 735 T HN 0.387 nan 8.240 nan 0.000 0.506 736 L N 3.053 124.420 121.223 0.240 0.000 2.406 736 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 736 L C -0.608 176.262 176.870 -0.000 0.000 0.982 736 L CA -0.754 54.197 54.840 0.184 0.000 0.843 736 L CB 0.389 42.578 42.059 0.216 0.000 1.225 736 L HN 0.962 nan 8.230 nan 0.000 0.412 737 C N 6.530 125.735 119.300 -0.159 0.000 2.285 737 C HA 0.491 4.951 4.460 -0.000 0.000 0.335 737 C C 0.386 175.300 174.990 -0.126 0.000 1.267 737 C CA -0.810 58.101 59.018 -0.179 0.000 1.762 737 C CB -0.352 27.198 27.740 -0.317 0.000 2.365 737 C HN 0.675 nan 8.230 nan 0.000 0.527 738 L N 6.710 127.891 121.223 -0.070 0.000 2.356 738 L HA 0.328 4.668 4.340 -0.000 0.000 0.282 738 L C 0.685 177.511 176.870 -0.074 0.000 1.132 738 L CA -0.190 54.612 54.840 -0.063 0.000 0.923 738 L CB -0.361 41.682 42.059 -0.026 0.000 1.278 738 L HN 0.672 nan 8.230 nan 0.000 0.436 739 R N 3.230 123.642 120.500 -0.147 0.000 2.522 739 R HA 0.004 4.344 4.340 -0.000 0.000 0.284 739 R C 0.852 177.123 176.300 -0.048 0.000 1.032 739 R CA 0.410 56.421 56.100 -0.148 0.000 1.049 739 R CB -0.044 29.997 30.300 -0.432 0.000 0.956 739 R HN 0.521 nan 8.270 nan 0.000 0.422 740 N N 1.037 119.736 118.700 -0.001 0.000 2.693 740 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 740 N C -1.352 174.169 175.510 0.018 0.000 1.119 740 N CA 1.197 54.263 53.050 0.026 0.000 0.717 740 N CB -0.649 37.868 38.487 0.050 0.000 1.071 740 N HN 0.189 nan 8.380 nan 0.000 0.555 741 V N 1.392 121.310 119.914 0.007 0.000 2.325 741 V HA 0.172 4.292 4.120 -0.000 0.000 0.280 741 V C 1.505 177.604 176.094 0.009 0.000 1.016 741 V CA -0.424 61.880 62.300 0.007 0.000 0.818 741 V CB 1.573 33.396 31.823 0.000 0.000 1.019 741 V HN 0.112 nan 8.190 nan 0.000 0.434 742 V N 1.519 121.441 119.914 0.013 0.000 2.951 742 V HA 0.298 4.418 4.120 -0.000 0.000 0.255 742 V C 0.711 176.812 176.094 0.011 0.000 1.088 742 V CA 0.999 63.308 62.300 0.014 0.000 1.109 742 V CB -0.256 31.577 31.823 0.017 0.000 0.724 742 V HN 0.669 nan 8.190 nan 0.000 0.471 743 K N -0.048 120.358 120.400 0.010 0.000 2.553 743 K HA 0.601 4.921 4.320 -0.000 0.000 0.250 743 K C -1.718 174.887 176.600 0.008 0.000 0.953 743 K CA -0.456 55.836 56.287 0.008 0.000 0.800 743 K CB 2.864 35.370 32.500 0.009 0.000 1.243 743 K HN 0.085 nan 8.250 nan 0.000 0.435 744 V N 3.399 123.317 119.914 0.006 0.000 2.732 744 V HA 0.257 4.377 4.120 -0.000 0.000 0.310 744 V C 0.717 176.815 176.094 0.006 0.000 1.053 744 V CA -0.263 62.041 62.300 0.006 0.000 0.957 744 V CB 1.712 33.538 31.823 0.006 0.000 1.018 744 V HN 0.982 nan 8.190 nan 0.000 0.452 745 N N 3.022 121.726 118.700 0.007 0.000 2.106 745 N HA 0.199 4.938 4.740 -0.000 0.000 0.188 745 N C 0.443 175.956 175.510 0.005 0.000 1.029 745 N CA 1.510 54.564 53.050 0.006 0.000 0.848 745 N CB -0.019 38.472 38.487 0.007 0.000 1.007 745 N HN 0.975 nan 8.380 nan 0.000 0.423 746 G N -1.090 107.713 108.800 0.005 0.000 2.646 746 G HA2 0.540 4.500 3.960 -0.000 0.000 0.291 746 G HA3 0.540 4.500 3.960 -0.000 0.000 0.291 746 G C -2.180 172.723 174.900 0.005 0.000 1.445 746 G CA -0.577 44.526 45.100 0.004 0.000 0.814 746 G HN 0.116 nan 8.290 nan 0.000 0.495 747 L N 0.658 121.883 121.223 0.003 0.000 2.516 747 L HA 0.547 4.887 4.340 -0.000 0.000 0.267 747 L C -0.965 175.905 176.870 0.001 0.000 0.957 747 L CA -0.602 54.240 54.840 0.003 0.000 0.860 747 L CB 2.211 44.270 42.059 -0.000 0.000 1.265 747 L HN 0.713 nan 8.230 nan 0.000 0.403 748 Q N 4.809 124.612 119.800 0.004 0.000 2.333 748 Q HA 0.253 4.593 4.340 -0.000 0.000 0.267 748 Q C -0.713 175.289 176.000 0.003 0.000 1.012 748 Q CA -0.281 55.525 55.803 0.003 0.000 0.824 748 Q CB 1.425 30.166 28.738 0.006 0.000 1.290 748 Q HN 0.703 nan 8.270 nan 0.000 0.449 749 D N 2.063 122.462 120.400 -0.002 0.000 2.800 749 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 749 D C -0.539 175.749 176.300 -0.021 0.000 1.137 749 D CA 1.376 55.372 54.000 -0.007 0.000 0.718 749 D CB -0.906 39.897 40.800 0.005 0.000 1.084 749 D HN 0.765 nan 8.370 nan 0.000 0.432 750 G N -0.622 108.163 108.800 -0.024 0.000 2.703 750 G HA2 0.516 4.476 3.960 -0.000 0.000 0.294 750 G HA3 0.516 4.476 3.960 -0.000 0.000 0.294 750 G C -0.578 174.302 174.900 -0.034 0.000 1.451 750 G CA 0.098 45.174 45.100 -0.040 0.000 0.869 750 G HN 0.236 nan 8.290 nan 0.000 0.516 751 S N -0.478 115.195 115.700 -0.045 0.000 2.651 751 S HA 0.759 5.229 4.470 -0.000 0.000 0.291 751 S C -0.312 174.270 174.600 -0.029 0.000 1.141 751 S CA -0.594 57.585 58.200 -0.034 0.000 1.027 751 S CB 1.734 64.911 63.200 -0.039 0.000 1.043 751 S HN 1.002 nan 8.310 nan 0.000 0.530 752 Q N 0.996 120.785 119.800 -0.019 0.000 2.321 752 Q HA 0.793 5.133 4.340 -0.000 0.000 0.270 752 Q C -0.851 175.143 176.000 -0.010 0.000 1.032 752 Q CA -1.253 54.542 55.803 -0.013 0.000 0.784 752 Q CB 1.878 30.611 28.738 -0.007 0.000 1.264 752 Q HN 0.860 nan 8.270 nan 0.000 0.448 753 A N 2.576 125.391 122.820 -0.009 0.000 2.347 753 A HA 0.682 5.002 4.320 -0.000 0.000 0.301 753 A C -0.706 176.879 177.584 0.002 0.000 1.163 753 A CA -0.785 51.250 52.037 -0.004 0.000 0.860 753 A CB 1.301 20.298 19.000 -0.005 0.000 1.367 753 A HN 0.815 nan 8.150 nan 0.000 0.461 754 E N -0.386 119.819 120.200 0.007 0.000 2.232 754 E HA 0.622 4.972 4.350 -0.000 0.000 0.264 754 E C -0.575 176.037 176.600 0.019 0.000 0.973 754 E CA -0.395 56.013 56.400 0.013 0.000 0.849 754 E CB 1.761 31.469 29.700 0.014 0.000 1.198 754 E HN 0.780 nan 8.360 nan 0.000 0.407 755 S N -0.386 115.330 115.700 0.027 0.000 2.636 755 S HA 0.169 4.639 4.470 -0.000 0.000 0.268 755 S C 0.181 174.809 174.600 0.047 0.000 1.159 755 S CA -0.715 57.509 58.200 0.040 0.000 0.815 755 S CB 1.207 64.436 63.200 0.049 0.000 1.130 755 S HN 0.500 nan 8.310 nan 0.000 0.471 756 E N 0.366 120.602 120.200 0.060 0.000 2.150 756 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 756 E C 1.716 178.359 176.600 0.073 0.000 0.985 756 E CA 1.194 57.634 56.400 0.066 0.000 0.814 756 E CB -0.143 29.604 29.700 0.078 0.000 0.752 756 E HN 0.633 nan 8.360 nan 0.000 0.466 757 Q N -0.695 119.156 119.800 0.084 0.000 2.389 757 Q HA 0.121 4.461 4.340 -0.000 0.000 0.204 757 Q C 0.439 176.472 176.000 0.054 0.000 0.944 757 Q CA 0.542 56.398 55.803 0.089 0.000 0.908 757 Q CB 0.866 29.685 28.738 0.135 0.000 1.002 757 Q HN 0.226 nan 8.270 nan 0.000 0.493 758 G N -0.368 108.457 108.800 0.041 0.000 2.359 758 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.303 758 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.303 758 G C -1.952 172.954 174.900 0.010 0.000 1.293 758 G CA -1.193 43.918 45.100 0.019 0.000 0.964 758 G HN -0.022 nan 8.290 nan 0.000 0.531 759 L N 0.143 121.367 121.223 0.002 0.000 2.540 759 L HA 0.472 4.812 4.340 -0.000 0.000 0.276 759 L C 0.573 177.436 176.870 -0.011 0.000 1.212 759 L CA 0.175 55.014 54.840 -0.001 0.000 0.893 759 L CB 1.028 43.087 42.059 -0.001 0.000 1.138 759 L HN 0.512 nan 8.230 nan 0.000 0.491 760 V N 5.868 125.777 119.914 -0.008 0.000 2.384 760 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 760 V C -0.266 175.823 176.094 -0.008 0.000 1.020 760 V CA -0.749 61.543 62.300 -0.014 0.000 0.850 760 V CB 1.822 33.639 31.823 -0.010 0.000 0.987 760 V HN 0.443 nan 8.190 nan 0.000 0.436 761 V N 4.753 124.667 119.914 -0.001 0.000 2.398 761 V HA 0.495 4.615 4.120 -0.000 0.000 0.286 761 V C -0.081 175.996 176.094 -0.028 0.000 1.026 761 V CA -0.872 61.425 62.300 -0.006 0.000 0.868 761 V CB 1.810 33.640 31.823 0.012 0.000 0.982 761 V HN 0.822 nan 8.190 nan 0.000 0.443 762 K N 8.131 128.487 120.400 -0.072 0.000 2.265 762 K HA 0.550 4.870 4.320 -0.000 0.000 0.267 762 K C -2.579 173.908 176.600 -0.189 0.000 0.994 762 K CA -2.029 54.166 56.287 -0.153 0.000 0.860 762 K CB 1.720 34.142 32.500 -0.130 0.000 1.099 762 K HN 0.372 nan 8.250 nan 0.000 0.448 763 P HA 0.163 nan 4.420 nan 0.000 0.276 763 P C -1.527 175.636 177.300 -0.228 0.000 1.252 763 P CA -0.292 62.644 63.100 -0.272 0.000 0.802 763 P CB 1.034 32.462 31.700 -0.453 0.000 1.035 764 Q N -0.003 119.721 119.800 -0.127 0.000 2.518 764 Q HA 0.437 4.777 4.340 -0.000 0.000 0.254 764 Q C -0.079 175.899 176.000 -0.037 0.000 0.962 764 Q CA -0.203 55.549 55.803 -0.086 0.000 0.982 764 Q CB 0.778 29.469 28.738 -0.078 0.000 1.516 764 Q HN 0.756 nan 8.270 nan 0.000 0.426 765 G N 2.030 110.822 108.800 -0.013 0.000 2.284 765 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.216 765 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.216 765 G C 0.201 175.118 174.900 0.028 0.000 1.009 765 G CA -0.077 45.026 45.100 0.006 0.000 0.625 765 G HN 0.961 nan 8.290 nan 0.000 0.501 766 N N -0.567 118.158 118.700 0.042 0.000 3.678 766 N HA 0.144 4.884 4.740 -0.000 0.000 0.301 766 N C 0.866 176.413 175.510 0.061 0.000 1.992 766 N CA 2.598 55.696 53.050 0.081 0.000 2.672 766 N CB -0.676 37.888 38.487 0.129 0.000 0.578 766 N HN 2.249 nan 8.380 nan 0.000 0.737 767 A N 2.325 125.183 122.820 0.064 0.000 3.561 767 A HA -0.031 4.289 4.320 -0.000 0.000 0.203 767 A C 0.149 177.760 177.584 0.045 0.000 1.306 767 A CA 0.273 52.335 52.037 0.042 0.000 1.194 767 A CB -1.239 17.778 19.000 0.028 0.000 0.807 767 A HN 1.822 nan 8.150 nan 0.000 0.394 768 L N 1.970 123.221 121.223 0.048 0.000 3.911 768 L HA -0.024 4.316 4.340 -0.000 0.000 0.546 768 L C -0.461 176.432 176.870 0.039 0.000 1.001 768 L CA 1.930 56.798 54.840 0.047 0.000 1.002 768 L CB -1.607 40.501 42.059 0.081 0.000 0.746 768 L HN 0.774 nan 8.230 nan 0.000 0.840 769 T N 6.861 121.430 114.554 0.026 0.000 2.863 769 T HA 0.768 5.118 4.350 -0.000 0.000 0.285 769 T C -0.273 174.438 174.700 0.018 0.000 1.009 769 T CA 0.096 62.208 62.100 0.021 0.000 0.989 769 T CB 1.450 70.327 68.868 0.015 0.000 1.004 769 T HN 0.784 nan 8.240 nan 0.000 0.455 770 I N 0.866 121.447 120.570 0.018 0.000 2.498 770 I HA 0.672 4.842 4.170 -0.000 0.000 0.290 770 I C -0.661 175.463 176.117 0.013 0.000 1.032 770 I CA -0.103 61.206 61.300 0.015 0.000 1.073 770 I CB 2.216 40.226 38.000 0.016 0.000 1.251 770 I HN 0.452 nan 8.210 nan 0.000 0.426 771 T N 8.111 122.671 114.554 0.010 0.000 2.756 771 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 771 T C -0.197 174.509 174.700 0.010 0.000 0.985 771 T CA -0.459 61.647 62.100 0.010 0.000 0.955 771 T CB 0.655 69.528 68.868 0.008 0.000 0.930 771 T HN 0.353 nan 8.240 nan 0.000 0.451 772 L N 3.590 124.819 121.223 0.011 0.000 2.426 772 L HA 0.307 4.647 4.340 -0.000 0.000 0.271 772 L C 1.647 178.523 176.870 0.010 0.000 1.169 772 L CA 0.089 54.935 54.840 0.010 0.000 0.836 772 L CB -0.964 41.102 42.059 0.011 0.000 1.112 772 L HN 0.993 nan 8.230 nan 0.000 0.465 773 H N 0.000 119.076 119.070 0.009 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.054 56.048 0.009 0.000 1.023 773 H CB 0.000 29.767 29.762 0.009 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496