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 2f2h_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.161 176.300 -0.231 0.000 1.140 1 M CA 0.000 55.172 55.300 -0.214 0.000 0.988 1 M CB 0.000 32.400 32.600 -0.333 0.000 1.302 2 K N 4.396 124.673 120.400 -0.205 0.000 2.379 2 K HA 0.388 4.708 4.320 -0.000 0.000 0.284 2 K C 0.112 176.561 176.600 -0.251 0.000 1.044 2 K CA 0.193 56.364 56.287 -0.194 0.000 0.974 2 K CB 0.525 32.941 32.500 -0.141 0.000 0.962 2 K HN 0.691 nan 8.250 nan 0.000 0.474 3 I N 0.142 120.542 120.570 -0.283 0.000 3.345 3 I HA -0.082 4.088 4.170 -0.000 0.000 0.258 3 I C 0.893 176.868 176.117 -0.237 0.000 1.134 3 I CA 0.144 61.242 61.300 -0.337 0.000 1.457 3 I CB 0.065 37.728 38.000 -0.562 0.000 1.425 3 I HN 0.508 nan 8.210 nan 0.000 0.461 4 S N 0.504 116.078 115.700 -0.210 0.000 2.614 4 S HA 0.160 4.630 4.470 -0.000 0.000 0.265 4 S C -0.343 174.193 174.600 -0.106 0.000 1.303 4 S CA -0.408 57.710 58.200 -0.137 0.000 1.000 4 S CB 1.442 64.564 63.200 -0.131 0.000 0.935 4 S HN 0.243 nan 8.310 nan 0.000 0.551 5 D N 0.166 120.524 120.400 -0.070 0.000 2.404 5 D HA 0.498 5.137 4.640 -0.000 0.000 0.267 5 D C 0.779 177.063 176.300 -0.027 0.000 1.194 5 D CA 0.739 54.712 54.000 -0.045 0.000 0.910 5 D CB 0.095 40.881 40.800 -0.024 0.000 1.090 5 D HN 1.081 nan 8.370 nan 0.000 0.511 6 G N 3.654 112.422 108.800 -0.052 0.000 2.641 6 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.254 6 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.254 6 G C 0.914 175.717 174.900 -0.162 0.000 1.315 6 G CA 0.200 45.254 45.100 -0.077 0.000 0.907 6 G HN 0.542 nan 8.290 nan 0.000 0.572 7 N N -0.693 117.814 118.700 -0.323 0.000 2.244 7 N HA -0.001 4.739 4.740 -0.000 0.000 0.183 7 N C 1.977 177.179 175.510 -0.514 0.000 1.016 7 N CA 2.502 55.212 53.050 -0.566 0.000 0.866 7 N CB -0.137 37.738 38.487 -1.019 0.000 0.980 7 N HN 0.618 nan 8.380 nan 0.000 0.430 8 W N -0.186 121.102 121.300 -0.020 0.000 2.812 8 W HA 0.385 5.045 4.660 -0.000 0.000 0.263 8 W C 0.136 176.645 176.519 -0.016 0.000 1.284 8 W CA -0.491 56.845 57.345 -0.016 0.000 1.430 8 W CB 0.320 29.772 29.460 -0.014 0.000 1.088 8 W HN -0.128 nan 8.180 nan 0.000 0.623 9 L N -0.079 121.232 121.223 0.148 0.000 2.283 9 L HA 0.608 4.948 4.340 -0.000 0.000 0.259 9 L C -0.432 176.449 176.870 0.019 0.000 1.027 9 L CA -1.318 53.573 54.840 0.085 0.000 0.828 9 L CB 1.984 44.090 42.059 0.078 0.000 1.380 9 L HN -0.323 nan 8.230 nan 0.000 0.425 10 I N 0.073 120.646 120.570 0.005 0.000 2.603 10 I HA 0.248 4.418 4.170 -0.000 0.000 0.300 10 I C -0.239 175.853 176.117 -0.042 0.000 1.017 10 I CA -0.881 60.401 61.300 -0.031 0.000 1.098 10 I CB 1.777 39.763 38.000 -0.022 0.000 1.279 10 I HN 0.489 nan 8.210 nan 0.000 0.437 11 Q N 4.246 124.003 119.800 -0.072 0.000 2.333 11 Q HA 0.102 4.442 4.340 -0.000 0.000 0.299 11 Q C -2.260 173.707 176.000 -0.055 0.000 1.067 11 Q CA -1.186 54.575 55.803 -0.070 0.000 0.943 11 Q CB -0.101 28.576 28.738 -0.102 0.000 1.233 11 Q HN 0.220 nan 8.270 nan 0.000 0.401 12 P HA 0.059 nan 4.420 nan 0.000 0.268 12 P C 0.555 177.834 177.300 -0.034 0.000 1.204 12 P CA 0.711 63.793 63.100 -0.031 0.000 0.768 12 P CB 0.509 32.195 31.700 -0.023 0.000 0.842 13 G N 1.881 110.664 108.800 -0.028 0.000 2.176 13 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.253 13 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.253 13 G C -0.140 174.739 174.900 -0.035 0.000 0.979 13 G CA -0.345 44.739 45.100 -0.026 0.000 0.641 13 G HN 0.459 nan 8.290 nan 0.000 0.530 14 L N 0.958 122.151 121.223 -0.050 0.000 2.292 14 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 14 L C -0.452 176.385 176.870 -0.056 0.000 1.065 14 L CA -0.866 53.934 54.840 -0.066 0.000 0.806 14 L CB 1.081 43.079 42.059 -0.101 0.000 1.175 14 L HN 0.006 nan 8.230 nan 0.000 0.431 15 N N 4.638 123.303 118.700 -0.059 0.000 2.392 15 N HA 0.596 5.336 4.740 -0.000 0.000 0.283 15 N C -0.883 174.587 175.510 -0.067 0.000 1.003 15 N CA -0.370 52.651 53.050 -0.048 0.000 0.892 15 N CB 2.247 40.716 38.487 -0.031 0.000 1.193 15 N HN 0.421 nan 8.380 nan 0.000 0.487 16 L N 2.639 123.821 121.223 -0.068 0.000 2.346 16 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 16 L C 0.130 176.865 176.870 -0.224 0.000 1.006 16 L CA -1.068 53.692 54.840 -0.133 0.000 0.817 16 L CB 1.440 43.432 42.059 -0.111 0.000 1.272 16 L HN 0.420 nan 8.230 nan 0.000 0.421 17 I N -1.619 118.808 120.570 -0.239 0.000 2.689 17 I HA 0.612 4.782 4.170 -0.000 0.000 0.299 17 I C -0.989 174.972 176.117 -0.260 0.000 1.059 17 I CA -0.617 60.558 61.300 -0.208 0.000 1.055 17 I CB 2.292 40.303 38.000 0.018 0.000 1.243 17 I HN 0.518 nan 8.210 nan 0.000 0.425 18 H N 2.859 121.991 119.070 0.103 0.000 2.747 18 H HA 0.482 5.038 4.556 -0.000 0.000 0.371 18 H C -2.736 172.370 175.328 -0.370 0.000 1.161 18 H CA -2.135 53.770 56.048 -0.238 0.000 1.167 18 H CB 2.226 31.849 29.762 -0.232 0.000 1.732 18 H HN 0.404 nan 8.280 nan 0.000 0.544 19 P HA 0.157 nan 4.420 nan 0.000 0.281 19 P C 0.345 176.906 177.300 -1.231 0.000 1.286 19 P CA -0.048 62.560 63.100 -0.819 0.000 0.772 19 P CB 0.827 31.933 31.700 -0.989 0.000 0.862 20 L N 1.839 122.611 121.223 -0.753 0.000 2.878 20 L HA 0.309 4.649 4.340 -0.000 0.000 0.253 20 L C 0.878 177.657 176.870 -0.152 0.000 1.135 20 L CA 0.270 54.807 54.840 -0.505 0.000 0.943 20 L CB 0.516 42.464 42.059 -0.184 0.000 1.307 20 L HN 0.374 nan 8.230 nan 0.000 0.545 21 Q N 0.990 120.755 119.800 -0.058 0.000 2.280 21 Q HA 0.306 4.646 4.340 -0.000 0.000 0.259 21 Q C -1.338 174.865 176.000 0.340 0.000 0.964 21 Q CA -0.352 55.581 55.803 0.216 0.000 0.844 21 Q CB 2.895 31.707 28.738 0.122 0.000 1.334 21 Q HN -0.126 nan 8.270 nan 0.000 0.423 22 V N 5.451 125.648 119.914 0.472 0.000 2.540 22 V HA -0.005 4.115 4.120 -0.000 0.000 0.297 22 V C 0.497 176.794 176.094 0.338 0.000 1.024 22 V CA 0.856 63.406 62.300 0.417 0.000 1.105 22 V CB 0.189 32.185 31.823 0.288 0.000 0.938 22 V HN 0.832 nan 8.190 nan 0.000 0.482 23 F N 3.201 123.284 119.950 0.223 0.000 2.453 23 F HA 0.384 4.911 4.527 -0.000 0.000 0.284 23 F C 0.929 176.829 175.800 0.167 0.000 1.065 23 F CA 0.569 58.671 58.000 0.169 0.000 1.411 23 F CB 0.596 39.688 39.000 0.153 0.000 1.131 23 F HN 0.548 nan 8.300 nan 0.000 0.582 24 E N 0.218 120.498 120.200 0.134 0.000 2.375 24 E HA 0.468 4.818 4.350 -0.000 0.000 0.280 24 E C -1.989 174.760 176.600 0.248 0.000 0.972 24 E CA -0.683 55.743 56.400 0.044 0.000 0.782 24 E CB 2.508 32.182 29.700 -0.043 0.000 1.229 24 E HN -0.159 nan 8.360 nan 0.000 0.439 25 V N 2.585 122.591 119.914 0.153 0.000 2.540 25 V HA 0.459 4.579 4.120 -0.000 0.000 0.302 25 V C -0.615 175.565 176.094 0.144 0.000 1.035 25 V CA -0.646 61.742 62.300 0.148 0.000 0.873 25 V CB 1.723 33.599 31.823 0.087 0.000 0.992 25 V HN 0.650 nan 8.190 nan 0.000 0.428 26 E N 3.268 123.561 120.200 0.154 0.000 2.246 26 E HA 0.426 4.776 4.350 -0.000 0.000 0.266 26 E C -0.992 175.676 176.600 0.113 0.000 0.880 26 E CA -0.666 55.821 56.400 0.144 0.000 0.762 26 E CB 2.033 31.864 29.700 0.218 0.000 1.180 26 E HN 0.758 nan 8.360 nan 0.000 0.416 27 Q N 3.741 123.599 119.800 0.097 0.000 2.296 27 Q HA 0.174 4.514 4.340 -0.000 0.000 0.257 27 Q C -1.033 175.020 176.000 0.088 0.000 0.942 27 Q CA -0.218 55.644 55.803 0.097 0.000 0.939 27 Q CB 0.977 29.764 28.738 0.082 0.000 1.198 27 Q HN 0.469 nan 8.270 nan 0.000 0.429 28 Q N 4.952 124.808 119.800 0.093 0.000 2.523 28 Q HA 0.180 4.519 4.340 -0.000 0.000 0.251 28 Q C -0.702 175.344 176.000 0.077 0.000 1.033 28 Q CA -0.604 55.243 55.803 0.074 0.000 0.746 28 Q CB 1.093 29.868 28.738 0.061 0.000 1.189 28 Q HN 0.862 nan 8.270 nan 0.000 0.508 29 D N 1.954 122.395 120.400 0.068 0.000 4.072 29 D HA -0.257 4.383 4.640 -0.000 0.000 0.146 29 D C 0.539 176.896 176.300 0.095 0.000 0.777 29 D CA 2.082 56.122 54.000 0.067 0.000 1.099 29 D CB -0.715 40.118 40.800 0.056 0.000 0.497 29 D HN 0.734 nan 8.370 nan 0.000 0.483 30 N N 2.372 121.142 118.700 0.117 0.000 2.376 30 N HA 0.088 4.828 4.740 -0.000 0.000 0.249 30 N C -0.669 175.027 175.510 0.311 0.000 1.140 30 N CA 0.245 53.396 53.050 0.169 0.000 0.870 30 N CB 0.325 38.892 38.487 0.132 0.000 1.124 30 N HN 0.437 nan 8.380 nan 0.000 0.505 31 E N 0.368 120.729 120.200 0.267 0.000 2.288 31 E HA 0.330 4.680 4.350 -0.000 0.000 0.268 31 E C -1.104 175.640 176.600 0.240 0.000 0.885 31 E CA -0.717 55.849 56.400 0.276 0.000 0.767 31 E CB 2.648 32.436 29.700 0.147 0.000 1.220 31 E HN 0.141 nan 8.360 nan 0.000 0.427 32 M N 2.922 122.661 119.600 0.232 0.000 2.227 32 M HA 0.366 4.846 4.480 -0.000 0.000 0.335 32 M C -1.675 174.754 176.300 0.214 0.000 1.053 32 M CA -0.765 54.673 55.300 0.230 0.000 0.973 32 M CB 1.196 33.961 32.600 0.274 0.000 1.623 32 M HN 0.259 nan 8.290 nan 0.000 0.434 33 V N 5.867 125.851 119.914 0.116 0.000 2.417 33 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 33 V C -0.627 175.453 176.094 -0.023 0.000 1.024 33 V CA -0.677 61.614 62.300 -0.014 0.000 0.861 33 V CB 1.696 33.442 31.823 -0.128 0.000 0.985 33 V HN 0.676 nan 8.190 nan 0.000 0.436 34 V N 5.433 125.343 119.914 -0.008 0.000 2.448 34 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 34 V C -1.078 175.001 176.094 -0.024 0.000 1.025 34 V CA -0.826 61.529 62.300 0.091 0.000 0.859 34 V CB 1.588 33.590 31.823 0.299 0.000 0.988 34 V HN 0.722 nan 8.190 nan 0.000 0.431 35 Y N 2.834 123.298 120.300 0.273 0.000 2.335 35 Y HA 0.715 5.265 4.550 -0.000 0.000 0.339 35 Y C 0.467 176.570 175.900 0.339 0.000 0.987 35 Y CA -0.465 57.809 58.100 0.289 0.000 1.140 35 Y CB 1.752 40.403 38.460 0.317 0.000 1.173 35 Y HN 0.723 nan 8.280 nan 0.000 0.486 36 A N 2.484 125.562 122.820 0.429 0.000 2.343 36 A HA 0.862 5.182 4.320 -0.000 0.000 0.308 36 A C -0.731 176.996 177.584 0.238 0.000 1.092 36 A CA -0.643 51.589 52.037 0.326 0.000 0.751 36 A CB 0.542 19.670 19.000 0.213 0.000 1.203 36 A HN 0.794 nan 8.150 nan 0.000 0.452 37 A N 3.422 126.342 122.820 0.166 0.000 2.302 37 A HA 0.773 5.093 4.320 -0.000 0.000 0.285 37 A C -1.923 175.693 177.584 0.054 0.000 1.105 37 A CA -1.621 50.474 52.037 0.097 0.000 0.816 37 A CB 0.368 19.402 19.000 0.057 0.000 1.067 37 A HN 0.525 nan 8.150 nan 0.000 0.489 38 P HA 0.107 nan 4.420 nan 0.000 0.257 38 P C -0.053 177.245 177.300 -0.002 0.000 1.281 38 P CA 0.414 63.550 63.100 0.060 0.000 0.826 38 P CB -0.025 31.737 31.700 0.103 0.000 1.237 39 R N -2.247 118.238 120.500 -0.025 0.000 2.762 39 R HA 0.421 4.761 4.340 -0.000 0.000 0.271 39 R C -1.636 174.627 176.300 -0.061 0.000 1.038 39 R CA -0.781 55.278 56.100 -0.068 0.000 0.906 39 R CB -0.308 29.928 30.300 -0.107 0.000 1.259 39 R HN -0.374 nan 8.270 nan 0.000 0.457 40 D N 1.150 121.482 120.400 -0.114 0.000 2.371 40 D HA 0.165 4.805 4.640 -0.000 0.000 0.256 40 D C 0.390 176.674 176.300 -0.027 0.000 1.193 40 D CA -0.081 53.872 54.000 -0.077 0.000 0.881 40 D CB 1.568 42.290 40.800 -0.130 0.000 1.143 40 D HN 0.484 nan 8.370 nan 0.000 0.473 41 V N 1.840 121.799 119.914 0.075 0.000 2.915 41 V HA 0.354 4.474 4.120 -0.000 0.000 0.364 41 V C 1.493 177.715 176.094 0.213 0.000 1.354 41 V CA -0.451 61.938 62.300 0.148 0.000 1.213 41 V CB -0.020 31.841 31.823 0.064 0.000 1.268 41 V HN 0.368 nan 8.190 nan 0.000 0.557 42 R N 0.896 121.503 120.500 0.178 0.000 2.189 42 R HA 0.052 4.392 4.340 -0.000 0.000 0.223 42 R C -0.029 176.376 176.300 0.175 0.000 1.092 42 R CA 1.079 57.280 56.100 0.169 0.000 0.989 42 R CB 0.196 30.562 30.300 0.109 0.000 0.876 42 R HN 0.661 nan 8.270 nan 0.000 0.457 43 E N -0.091 120.238 120.200 0.216 0.000 2.175 43 E HA 0.169 4.519 4.350 -0.000 0.000 0.278 43 E C 0.317 177.013 176.600 0.160 0.000 0.969 43 E CA -0.436 56.082 56.400 0.197 0.000 0.796 43 E CB 1.079 30.959 29.700 0.299 0.000 1.104 43 E HN -0.091 nan 8.360 nan 0.000 0.395 44 R N 1.280 121.831 120.500 0.084 0.000 2.105 44 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 44 R C 1.978 178.256 176.300 -0.035 0.000 1.135 44 R CA 1.741 57.866 56.100 0.042 0.000 0.967 44 R CB -0.860 29.452 30.300 0.020 0.000 0.861 44 R HN 0.678 nan 8.270 nan 0.000 0.442 45 T N -0.528 113.950 114.554 -0.126 0.000 2.760 45 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 45 T C 1.170 175.577 174.700 -0.488 0.000 1.047 45 T CA 1.428 63.310 62.100 -0.362 0.000 1.139 45 T CB -0.184 68.375 68.868 -0.514 0.000 0.855 45 T HN 0.550 nan 8.240 nan 0.000 0.471 46 W N 0.968 122.262 121.300 -0.010 0.000 3.316 46 W HA 0.399 5.059 4.660 -0.000 0.000 0.327 46 W C 1.482 177.970 176.519 -0.052 0.000 1.232 46 W CA -0.784 56.547 57.345 -0.023 0.000 1.805 46 W CB 0.221 29.674 29.460 -0.012 0.000 1.090 46 W HN 0.253 nan 8.180 nan 0.000 0.654 47 Q N 1.513 121.360 119.800 0.078 0.000 2.642 47 Q HA 0.215 4.555 4.340 -0.000 0.000 0.319 47 Q C -0.802 175.163 176.000 -0.059 0.000 1.030 47 Q CA 0.102 55.885 55.803 -0.032 0.000 0.943 47 Q CB -0.438 28.270 28.738 -0.050 0.000 1.323 47 Q HN 0.139 nan 8.270 nan 0.000 0.419 48 L N -5.470 115.743 121.223 -0.016 0.000 2.940 48 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 48 L C -0.830 176.051 176.870 0.019 0.000 1.030 48 L CA -1.061 53.764 54.840 -0.025 0.000 0.928 48 L CB 0.720 42.754 42.059 -0.041 0.000 1.506 48 L HN -0.150 nan 8.230 nan 0.000 0.405 49 D N -0.561 119.845 120.400 0.011 0.000 2.699 49 D HA -0.115 4.525 4.640 -0.000 0.000 0.239 49 D C -0.255 176.077 176.300 0.054 0.000 1.136 49 D CA 1.804 55.826 54.000 0.037 0.000 0.668 49 D CB -0.695 40.138 40.800 0.055 0.000 1.060 49 D HN 1.074 nan 8.370 nan 0.000 0.429 50 T N -1.121 113.446 114.554 0.022 0.000 2.956 50 T HA 0.542 4.892 4.350 -0.000 0.000 0.312 50 T C -2.528 172.158 174.700 -0.024 0.000 1.151 50 T CA -1.323 60.781 62.100 0.007 0.000 1.024 50 T CB 1.580 70.451 68.868 0.006 0.000 1.140 50 T HN -0.235 nan 8.240 nan 0.000 0.473 51 P HA 0.429 nan 4.420 nan 0.000 0.271 51 P C -1.254 175.961 177.300 -0.142 0.000 1.238 51 P CA -0.726 62.309 63.100 -0.109 0.000 0.794 51 P CB 0.396 31.965 31.700 -0.219 0.000 0.959 52 L N 1.293 122.394 121.223 -0.202 0.000 2.543 52 L HA 0.400 4.740 4.340 -0.000 0.000 0.265 52 L C -1.413 175.362 176.870 -0.159 0.000 0.945 52 L CA -0.585 54.187 54.840 -0.112 0.000 0.869 52 L CB 1.139 43.182 42.059 -0.027 0.000 1.294 52 L HN 0.297 nan 8.230 nan 0.000 0.405 53 F N 1.851 121.842 119.950 0.068 0.000 2.394 53 F HA 0.394 4.921 4.527 -0.000 0.000 0.340 53 F C 0.807 176.674 175.800 0.112 0.000 1.105 53 F CA -0.200 57.838 58.000 0.065 0.000 1.124 53 F CB 1.850 40.854 39.000 0.007 0.000 1.145 53 F HN 0.298 nan 8.300 nan 0.000 0.505 54 T N 5.239 119.943 114.554 0.250 0.000 2.788 54 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 54 T C -0.540 174.167 174.700 0.013 0.000 1.009 54 T CA -0.467 61.681 62.100 0.079 0.000 0.949 54 T CB 0.347 69.257 68.868 0.071 0.000 0.946 54 T HN 0.170 nan 8.240 nan 0.000 0.453 55 L N 3.460 124.650 121.223 -0.054 0.000 2.307 55 L HA 0.621 4.961 4.340 -0.000 0.000 0.284 55 L C 0.299 176.991 176.870 -0.296 0.000 1.023 55 L CA -0.441 54.307 54.840 -0.154 0.000 0.810 55 L CB 1.423 43.455 42.059 -0.044 0.000 1.231 55 L HN 0.442 nan 8.230 nan 0.000 0.423 56 R N 2.867 123.096 120.500 -0.452 0.000 2.561 56 R HA 0.620 4.960 4.340 -0.000 0.000 0.297 56 R C -1.730 174.248 176.300 -0.536 0.000 0.969 56 R CA -0.486 55.411 56.100 -0.338 0.000 0.879 56 R CB 1.024 31.217 30.300 -0.179 0.000 1.178 56 R HN 0.386 nan 8.270 nan 0.000 0.445 57 F N 5.670 125.515 119.950 -0.174 0.000 2.458 57 F HA 0.563 5.090 4.527 -0.000 0.000 0.336 57 F C -0.319 175.099 175.800 -0.637 0.000 1.114 57 F CA -0.675 57.022 58.000 -0.506 0.000 0.987 57 F CB 1.436 39.979 39.000 -0.762 0.000 1.130 57 F HN 0.446 nan 8.300 nan 0.000 0.458 58 F N -0.320 119.250 119.950 -0.633 0.000 2.711 58 F HA 0.746 5.273 4.527 -0.000 0.000 0.313 58 F C -1.119 174.724 175.800 0.071 0.000 1.141 58 F CA -1.476 56.376 58.000 -0.248 0.000 0.941 58 F CB 1.604 40.568 39.000 -0.060 0.000 1.349 58 F HN 0.271 nan 8.300 nan 0.000 0.464 59 S N 1.769 117.672 115.700 0.337 0.000 2.707 59 S HA 0.540 5.010 4.470 -0.000 0.000 0.303 59 S C -2.276 172.424 174.600 0.166 0.000 1.132 59 S CA -1.322 56.998 58.200 0.201 0.000 1.046 59 S CB 1.567 64.930 63.200 0.273 0.000 1.004 59 S HN 0.614 nan 8.310 nan 0.000 0.483 60 P HA 0.157 nan 4.420 nan 0.000 0.239 60 P C -0.286 176.947 177.300 -0.111 0.000 1.188 60 P CA 0.398 63.506 63.100 0.013 0.000 0.794 60 P CB 0.380 32.050 31.700 -0.049 0.000 0.937 61 Q N -0.774 118.903 119.800 -0.205 0.000 2.482 61 Q HA 0.203 4.543 4.340 -0.000 0.000 0.286 61 Q C -0.619 175.308 176.000 -0.122 0.000 1.007 61 Q CA -0.859 54.845 55.803 -0.166 0.000 0.801 61 Q CB 1.986 30.572 28.738 -0.254 0.000 1.455 61 Q HN -0.068 nan 8.270 nan 0.000 0.398 62 E N 0.318 120.470 120.200 -0.080 0.000 2.558 62 E HA -0.016 4.334 4.350 -0.000 0.000 0.255 62 E C 0.454 177.013 176.600 -0.068 0.000 0.968 62 E CA 1.776 58.139 56.400 -0.062 0.000 0.939 62 E CB 0.198 29.867 29.700 -0.051 0.000 0.921 62 E HN 0.825 nan 8.360 nan 0.000 0.477 63 G N 4.411 113.182 108.800 -0.048 0.000 2.148 63 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 63 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 63 G C 0.275 175.154 174.900 -0.035 0.000 0.981 63 G CA 0.335 45.417 45.100 -0.031 0.000 0.670 63 G HN 0.532 nan 8.290 nan 0.000 0.528 64 I N 0.872 121.398 120.570 -0.073 0.000 2.389 64 I HA 0.532 4.702 4.170 -0.000 0.000 0.288 64 I C 0.270 176.381 176.117 -0.010 0.000 0.999 64 I CA -1.241 60.000 61.300 -0.098 0.000 1.129 64 I CB 2.007 39.794 38.000 -0.354 0.000 1.288 64 I HN 0.149 nan 8.210 nan 0.000 0.444 65 V N 3.121 123.069 119.914 0.057 0.000 2.409 65 V HA 0.855 4.975 4.120 -0.000 0.000 0.291 65 V C 0.136 176.167 176.094 -0.105 0.000 1.020 65 V CA -0.247 62.092 62.300 0.064 0.000 0.848 65 V CB 1.220 33.200 31.823 0.262 0.000 0.990 65 V HN 0.785 nan 8.190 nan 0.000 0.430 66 G N 3.670 112.167 108.800 -0.505 0.000 2.377 66 G HA2 0.593 4.553 3.960 -0.000 0.000 0.299 66 G HA3 0.593 4.553 3.960 -0.000 0.000 0.299 66 G C -0.901 173.448 174.900 -0.919 0.000 1.150 66 G CA -0.605 43.801 45.100 -1.157 0.000 0.847 66 G HN 1.171 nan 8.290 nan 0.000 0.501 67 V N 2.438 121.842 119.914 -0.850 0.000 2.482 67 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 67 V C 0.011 175.753 176.094 -0.585 0.000 1.026 67 V CA -0.853 60.983 62.300 -0.773 0.000 0.856 67 V CB 1.536 32.816 31.823 -0.905 0.000 1.001 67 V HN 0.813 nan 8.190 nan 0.000 0.424 68 R N 5.382 125.657 120.500 -0.375 0.000 2.360 68 R HA 0.668 5.008 4.340 -0.000 0.000 0.318 68 R C -1.349 174.890 176.300 -0.100 0.000 0.950 68 R CA -0.535 55.494 56.100 -0.119 0.000 0.837 68 R CB 1.104 31.393 30.300 -0.018 0.000 1.165 68 R HN 0.727 nan 8.270 nan 0.000 0.458 69 I N 5.341 125.939 120.570 0.047 0.000 2.355 69 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 69 I C -0.033 176.230 176.117 0.242 0.000 0.999 69 I CA -0.526 60.837 61.300 0.105 0.000 1.163 69 I CB 1.529 39.582 38.000 0.088 0.000 1.316 69 I HN 0.625 nan 8.210 nan 0.000 0.454 70 E N 5.261 125.612 120.200 0.252 0.000 2.312 70 E HA 0.403 4.753 4.350 -0.000 0.000 0.267 70 E C -0.662 176.088 176.600 0.249 0.000 0.894 70 E CA -0.735 55.834 56.400 0.283 0.000 0.773 70 E CB 2.607 32.440 29.700 0.222 0.000 1.241 70 E HN 0.600 nan 8.360 nan 0.000 0.432 71 H N 1.566 120.632 119.070 -0.007 0.000 2.396 71 H HA 0.200 4.756 4.556 -0.000 0.000 0.330 71 H C -0.391 174.877 175.328 -0.101 0.000 1.271 71 H CA -0.150 55.681 56.048 -0.362 0.000 1.927 71 H CB 0.297 29.524 29.762 -0.892 0.000 1.537 71 H HN 0.389 nan 8.280 nan 0.000 0.627 72 F N 2.148 121.885 119.950 -0.356 0.000 2.411 72 F HA 0.209 4.736 4.527 -0.000 0.000 0.350 72 F C 1.324 177.073 175.800 -0.086 0.000 1.114 72 F CA -0.339 57.480 58.000 -0.303 0.000 1.135 72 F CB 1.481 40.310 39.000 -0.284 0.000 1.120 72 F HN 0.408 nan 8.300 nan 0.000 0.495 73 Q N 1.829 121.688 119.800 0.099 0.000 2.425 73 Q HA 0.072 4.412 4.340 -0.000 0.000 0.204 73 Q C 1.977 177.986 176.000 0.015 0.000 0.933 73 Q CA 0.535 56.364 55.803 0.042 0.000 0.939 73 Q CB 0.233 28.972 28.738 0.001 0.000 1.044 73 Q HN 1.005 nan 8.270 nan 0.000 0.513 74 G N 0.651 109.442 108.800 -0.014 0.000 2.744 74 G HA2 0.158 4.118 3.960 -0.000 0.000 0.211 74 G HA3 0.158 4.118 3.960 -0.000 0.000 0.211 74 G C 0.533 175.440 174.900 0.011 0.000 1.143 74 G CA 0.320 45.395 45.100 -0.041 0.000 0.788 74 G HN 0.350 nan 8.290 nan 0.000 0.534 75 A N -0.226 122.638 122.820 0.074 0.000 2.448 75 A HA 0.430 4.750 4.320 -0.000 0.000 0.239 75 A C 1.540 179.171 177.584 0.078 0.000 1.080 75 A CA -0.257 51.840 52.037 0.100 0.000 0.779 75 A CB 0.362 19.461 19.000 0.165 0.000 1.026 75 A HN 0.203 nan 8.150 nan 0.000 0.499 76 L N 0.523 121.793 121.223 0.079 0.000 2.056 76 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 76 L C 0.499 177.416 176.870 0.078 0.000 1.078 76 L CA 1.120 56.000 54.840 0.067 0.000 0.749 76 L CB -0.848 41.250 42.059 0.065 0.000 0.901 76 L HN 0.901 nan 8.230 nan 0.000 0.433 77 N N 1.598 120.367 118.700 0.114 0.000 2.601 77 N HA -0.188 4.552 4.740 -0.000 0.000 0.298 77 N C -0.593 174.973 175.510 0.093 0.000 1.227 77 N CA -0.110 53.021 53.050 0.135 0.000 0.732 77 N CB -0.840 37.729 38.487 0.137 0.000 0.964 77 N HN 0.346 nan 8.380 nan 0.000 0.549 78 N N 0.217 118.974 118.700 0.095 0.000 2.459 78 N HA 0.467 5.207 4.740 -0.000 0.000 0.288 78 N C 0.802 176.354 175.510 0.069 0.000 1.186 78 N CA -0.193 52.902 53.050 0.076 0.000 0.917 78 N CB 1.213 39.744 38.487 0.074 0.000 1.219 78 N HN 0.393 nan 8.380 nan 0.000 0.525 79 G N 0.359 109.188 108.800 0.049 0.000 2.653 79 G HA2 0.273 4.233 3.960 -0.000 0.000 0.265 79 G HA3 0.273 4.233 3.960 -0.000 0.000 0.265 79 G C -2.377 172.488 174.900 -0.059 0.000 1.237 79 G CA -0.514 44.582 45.100 -0.006 0.000 0.946 79 G HN 0.333 nan 8.290 nan 0.000 0.522 80 P HA 0.250 nan 4.420 nan 0.000 0.279 80 P C -1.082 175.994 177.300 -0.372 0.000 1.252 80 P CA -0.239 62.654 63.100 -0.346 0.000 0.811 80 P CB 1.095 32.497 31.700 -0.496 0.000 1.035 81 H N -1.750 117.125 119.070 -0.325 0.000 2.573 81 H HA 0.476 5.032 4.556 -0.000 0.000 0.351 81 H C -0.361 174.757 175.328 -0.350 0.000 1.163 81 H CA -1.036 54.827 56.048 -0.309 0.000 1.205 81 H CB -0.271 29.402 29.762 -0.148 0.000 1.605 81 H HN 0.178 nan 8.280 nan 0.000 0.525 82 Y N 1.345 121.570 120.300 -0.124 0.000 2.683 82 Y HA 0.059 4.609 4.550 -0.000 0.000 0.340 82 Y C -1.626 174.186 175.900 -0.146 0.000 1.245 82 Y CA -2.142 55.848 58.100 -0.184 0.000 1.485 82 Y CB 0.173 38.554 38.460 -0.131 0.000 1.328 82 Y HN 0.643 nan 8.280 nan 0.000 0.603 83 P HA 0.069 nan 4.420 nan 0.000 0.226 83 P C -0.742 176.440 177.300 -0.197 0.000 1.783 83 P CA -0.061 62.957 63.100 -0.137 0.000 0.980 83 P CB -0.187 31.354 31.700 -0.265 0.000 1.967 84 L N 2.296 123.405 121.223 -0.190 0.000 2.380 84 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 84 L C 0.895 177.658 176.870 -0.179 0.000 1.138 84 L CA 0.320 54.925 54.840 -0.393 0.000 0.832 84 L CB -0.129 41.703 42.059 -0.378 0.000 1.124 84 L HN 0.094 nan 8.230 nan 0.000 0.454 85 N N 5.009 123.626 118.700 -0.137 0.000 2.469 85 N HA 0.265 5.005 4.740 -0.000 0.000 0.239 85 N C -0.729 174.876 175.510 0.157 0.000 1.053 85 N CA -0.190 52.872 53.050 0.019 0.000 0.937 85 N CB 1.065 39.554 38.487 0.003 0.000 1.163 85 N HN 0.321 nan 8.380 nan 0.000 0.509 86 I N 3.700 124.340 120.570 0.117 0.000 2.354 86 I HA 0.304 4.473 4.170 -0.000 0.000 0.286 86 I C 0.380 176.551 176.117 0.090 0.000 1.007 86 I CA -0.528 60.861 61.300 0.148 0.000 1.167 86 I CB 1.084 39.176 38.000 0.153 0.000 1.320 86 I HN 0.143 nan 8.210 nan 0.000 0.458 87 L N 5.700 126.969 121.223 0.076 0.000 2.395 87 L HA 0.234 4.574 4.340 -0.000 0.000 0.269 87 L C 1.310 178.225 176.870 0.075 0.000 1.133 87 L CA -0.234 54.639 54.840 0.056 0.000 0.812 87 L CB 0.789 42.869 42.059 0.034 0.000 1.125 87 L HN 0.488 nan 8.230 nan 0.000 0.452 88 Q N 1.540 121.374 119.800 0.058 0.000 2.282 88 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 88 Q C -0.440 175.598 176.000 0.062 0.000 0.878 88 Q CA 0.260 56.100 55.803 0.062 0.000 0.944 88 Q CB 0.423 29.185 28.738 0.040 0.000 1.100 88 Q HN 0.756 nan 8.270 nan 0.000 0.509 89 D N -1.932 118.501 120.400 0.055 0.000 2.822 89 D HA 0.051 4.691 4.640 -0.000 0.000 0.327 89 D C -0.123 176.198 176.300 0.035 0.000 1.577 89 D CA -0.357 53.669 54.000 0.044 0.000 0.785 89 D CB -0.461 40.356 40.800 0.028 0.000 1.199 89 D HN -0.274 nan 8.370 nan 0.000 0.443 90 V N 1.157 121.099 119.914 0.046 0.000 2.673 90 V HA -0.026 4.094 4.120 -0.000 0.000 0.303 90 V C 0.976 177.077 176.094 0.012 0.000 1.046 90 V CA -0.059 62.256 62.300 0.026 0.000 1.126 90 V CB 0.776 32.622 31.823 0.039 0.000 0.934 90 V HN 0.222 nan 8.190 nan 0.000 0.487 91 K N 4.838 125.229 120.400 -0.015 0.000 2.383 91 K HA 0.416 4.736 4.320 -0.000 0.000 0.286 91 K C -0.542 176.013 176.600 -0.075 0.000 1.051 91 K CA -0.250 56.015 56.287 -0.036 0.000 0.974 91 K CB 0.597 33.074 32.500 -0.039 0.000 0.968 91 K HN 0.643 nan 8.250 nan 0.000 0.475 92 V N 0.165 120.014 119.914 -0.107 0.000 3.181 92 V HA 0.610 4.730 4.120 -0.000 0.000 0.308 92 V C -0.893 175.066 176.094 -0.223 0.000 1.214 92 V CA -0.854 61.307 62.300 -0.231 0.000 1.053 92 V CB 2.101 33.707 31.823 -0.362 0.000 1.069 92 V HN 0.672 nan 8.190 nan 0.000 0.441 93 T N 2.513 116.872 114.554 -0.324 0.000 2.841 93 T HA 0.723 5.073 4.350 -0.000 0.000 0.285 93 T C -0.661 173.881 174.700 -0.264 0.000 0.991 93 T CA -0.004 61.960 62.100 -0.228 0.000 0.966 93 T CB 0.972 69.730 68.868 -0.183 0.000 0.962 93 T HN 0.664 nan 8.240 nan 0.000 0.438 94 I N 3.816 124.307 120.570 -0.132 0.000 2.389 94 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 94 I C -0.143 175.956 176.117 -0.031 0.000 0.999 94 I CA -0.679 60.591 61.300 -0.050 0.000 1.129 94 I CB 1.468 39.500 38.000 0.054 0.000 1.288 94 I HN 0.634 nan 8.210 nan 0.000 0.444 95 E N 4.895 125.075 120.200 -0.033 0.000 2.220 95 E HA 0.363 4.713 4.350 -0.000 0.000 0.256 95 E C -1.145 175.454 176.600 -0.001 0.000 0.881 95 E CA -0.915 55.474 56.400 -0.019 0.000 0.766 95 E CB 1.894 31.577 29.700 -0.029 0.000 1.187 95 E HN 0.333 nan 8.360 nan 0.000 0.419 96 N N 2.855 121.561 118.700 0.011 0.000 2.501 96 N HA 0.189 4.929 4.740 -0.000 0.000 0.245 96 N C -1.153 174.366 175.510 0.015 0.000 0.974 96 N CA -0.111 52.950 53.050 0.017 0.000 0.941 96 N CB 1.262 39.763 38.487 0.023 0.000 1.122 96 N HN 0.650 nan 8.380 nan 0.000 0.507 97 T N -0.523 114.043 114.554 0.020 0.000 2.883 97 T HA 0.335 4.685 4.350 -0.000 0.000 0.284 97 T C 0.941 175.625 174.700 -0.026 0.000 1.041 97 T CA -0.684 61.419 62.100 0.005 0.000 1.007 97 T CB 1.249 70.133 68.868 0.026 0.000 1.220 97 T HN 0.404 nan 8.240 nan 0.000 0.552 98 E N -0.237 119.935 120.200 -0.047 0.000 2.153 98 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 98 E C 2.136 178.660 176.600 -0.127 0.000 0.988 98 E CA 0.951 57.310 56.400 -0.068 0.000 0.811 98 E CB 0.061 29.724 29.700 -0.062 0.000 0.746 98 E HN 0.583 nan 8.360 nan 0.000 0.466 99 R N -1.625 118.743 120.500 -0.219 0.000 2.206 99 R HA 0.134 4.474 4.340 -0.000 0.000 0.198 99 R C -0.327 175.628 176.300 -0.574 0.000 0.986 99 R CA 0.375 56.186 56.100 -0.481 0.000 1.029 99 R CB 0.501 30.356 30.300 -0.742 0.000 0.966 99 R HN 0.084 nan 8.270 nan 0.000 0.487 100 Y N -1.575 118.686 120.300 -0.064 0.000 2.571 100 Y HA 0.543 5.093 4.550 -0.000 0.000 0.341 100 Y C -0.933 174.906 175.900 -0.103 0.000 1.076 100 Y CA -1.461 56.577 58.100 -0.103 0.000 1.029 100 Y CB 2.090 40.481 38.460 -0.114 0.000 1.308 100 Y HN -0.132 nan 8.280 nan 0.000 0.461 101 A N 2.033 124.880 122.820 0.044 0.000 2.273 101 A HA 0.648 4.968 4.320 -0.000 0.000 0.315 101 A C -1.070 176.423 177.584 -0.150 0.000 1.256 101 A CA -0.518 51.491 52.037 -0.046 0.000 0.851 101 A CB 1.002 19.961 19.000 -0.068 0.000 1.172 101 A HN 0.751 nan 8.150 nan 0.000 0.508 102 E N 2.006 122.132 120.200 -0.123 0.000 2.234 102 E HA 0.579 4.929 4.350 -0.000 0.000 0.266 102 E C -1.995 174.547 176.600 -0.096 0.000 0.877 102 E CA -0.473 55.825 56.400 -0.171 0.000 0.758 102 E CB 1.401 30.994 29.700 -0.179 0.000 1.170 102 E HN 0.553 nan 8.360 nan 0.000 0.415 103 F N 4.301 124.087 119.950 -0.273 0.000 2.477 103 F HA 0.484 5.011 4.527 -0.000 0.000 0.335 103 F C -1.107 174.624 175.800 -0.115 0.000 1.130 103 F CA -0.607 57.288 58.000 -0.175 0.000 0.948 103 F CB 1.073 39.954 39.000 -0.197 0.000 1.154 103 F HN 0.259 nan 8.300 nan 0.000 0.439 104 K N 4.228 124.272 120.400 -0.593 0.000 2.378 104 K HA 0.571 4.891 4.320 -0.000 0.000 0.252 104 K C -1.547 174.792 176.600 -0.435 0.000 0.931 104 K CA -0.666 55.404 56.287 -0.361 0.000 0.794 104 K CB 1.918 34.283 32.500 -0.225 0.000 1.181 104 K HN 0.578 nan 8.250 nan 0.000 0.425 105 S N 2.735 118.313 115.700 -0.204 0.000 2.707 105 S HA 0.581 5.051 4.470 -0.000 0.000 0.303 105 S C 0.246 174.803 174.600 -0.072 0.000 1.132 105 S CA 0.467 58.590 58.200 -0.128 0.000 1.046 105 S CB 0.809 63.995 63.200 -0.024 0.000 1.004 105 S HN 1.038 nan 8.310 nan 0.000 0.483 106 G N 5.479 114.234 108.800 -0.075 0.000 2.622 106 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.307 106 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.307 106 G C 0.539 175.408 174.900 -0.053 0.000 1.226 106 G CA 0.888 45.955 45.100 -0.056 0.000 0.997 106 G HN 0.769 nan 8.290 nan 0.000 0.551 107 N N -0.081 118.598 118.700 -0.036 0.000 2.353 107 N HA 0.333 5.073 4.740 -0.000 0.000 0.185 107 N C 0.359 175.856 175.510 -0.022 0.000 1.098 107 N CA -0.139 52.892 53.050 -0.031 0.000 0.872 107 N CB 0.377 38.852 38.487 -0.020 0.000 0.970 107 N HN 0.367 nan 8.380 nan 0.000 0.467 108 L N 1.198 122.415 121.223 -0.010 0.000 2.295 108 L HA 0.427 4.767 4.340 -0.000 0.000 0.285 108 L C -0.190 176.698 176.870 0.029 0.000 1.035 108 L CA -0.485 54.368 54.840 0.023 0.000 0.806 108 L CB 1.122 43.209 42.059 0.047 0.000 1.214 108 L HN -0.045 nan 8.230 nan 0.000 0.426 109 S N 3.679 119.404 115.700 0.040 0.000 2.599 109 S HA 0.957 5.427 4.470 -0.000 0.000 0.287 109 S C -0.769 173.867 174.600 0.060 0.000 1.105 109 S CA -0.446 57.771 58.200 0.029 0.000 0.899 109 S CB 1.669 64.821 63.200 -0.079 0.000 1.100 109 S HN 1.006 nan 8.310 nan 0.000 0.482 110 A N 1.734 124.566 122.820 0.021 0.000 2.288 110 A HA 0.814 5.134 4.320 -0.000 0.000 0.320 110 A C -0.130 177.210 177.584 -0.406 0.000 1.217 110 A CA -0.793 51.102 52.037 -0.236 0.000 0.840 110 A CB 0.759 19.682 19.000 -0.129 0.000 1.179 110 A HN 0.852 nan 8.150 nan 0.000 0.504 111 R N 2.281 122.486 120.500 -0.492 0.000 2.513 111 R HA 0.596 4.936 4.340 -0.000 0.000 0.301 111 R C -1.899 174.125 176.300 -0.461 0.000 0.968 111 R CA -0.355 55.475 56.100 -0.451 0.000 0.872 111 R CB 1.905 31.931 30.300 -0.457 0.000 1.177 111 R HN 0.501 nan 8.270 nan 0.000 0.444 112 V N 3.085 122.754 119.914 -0.408 0.000 2.417 112 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 112 V C -0.222 175.723 176.094 -0.248 0.000 1.024 112 V CA -0.689 61.328 62.300 -0.472 0.000 0.861 112 V CB 1.893 33.406 31.823 -0.517 0.000 0.985 112 V HN 0.791 nan 8.190 nan 0.000 0.436 113 S N 5.339 120.880 115.700 -0.264 0.000 2.474 113 S HA 0.327 4.797 4.470 -0.000 0.000 0.276 113 S C 0.191 174.740 174.600 -0.086 0.000 1.227 113 S CA -0.592 57.577 58.200 -0.051 0.000 1.050 113 S CB 0.362 63.565 63.200 0.006 0.000 0.939 113 S HN 0.626 nan 8.310 nan 0.000 0.490 114 K N 1.726 122.094 120.400 -0.053 0.000 2.118 114 K HA 0.574 4.894 4.320 -0.000 0.000 0.240 114 K C 1.055 177.664 176.600 0.015 0.000 1.035 114 K CA -0.025 56.264 56.287 0.003 0.000 0.899 114 K CB 0.173 32.657 32.500 -0.027 0.000 1.085 114 K HN 0.844 nan 8.250 nan 0.000 0.498 115 G N 0.664 109.484 108.800 0.033 0.000 2.615 115 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 115 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 115 G C 0.637 175.513 174.900 -0.041 0.000 1.339 115 G CA 0.373 45.472 45.100 -0.002 0.000 0.884 115 G HN 0.774 nan 8.290 nan 0.000 0.559 116 E N -0.790 119.285 120.200 -0.207 0.000 2.118 116 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 116 E C 0.566 176.835 176.600 -0.551 0.000 0.992 116 E CA 1.232 57.325 56.400 -0.511 0.000 0.804 116 E CB -0.101 29.012 29.700 -0.978 0.000 0.741 116 E HN 0.355 nan 8.360 nan 0.000 0.458 117 F N 1.051 121.053 119.950 0.087 0.000 2.319 117 F HA 0.206 4.733 4.527 -0.000 0.000 0.356 117 F C -0.039 175.846 175.800 0.141 0.000 1.100 117 F CA -1.066 56.994 58.000 0.101 0.000 1.220 117 F CB 0.152 39.184 39.000 0.053 0.000 1.506 117 F HN 0.078 nan 8.300 nan 0.000 0.512 118 W N 2.979 124.336 121.300 0.095 0.000 2.293 118 W HA 0.309 4.969 4.660 -0.000 0.000 0.342 118 W C -0.528 176.034 176.519 0.073 0.000 1.274 118 W CA 0.722 58.108 57.345 0.069 0.000 1.290 118 W CB 1.112 30.593 29.460 0.034 0.000 1.176 118 W HN 0.426 nan 8.180 nan 0.000 0.570 119 S N 6.249 121.631 115.700 -0.531 0.000 2.535 119 S HA 0.481 4.951 4.470 -0.000 0.000 0.272 119 S C -1.719 172.462 174.600 -0.699 0.000 1.149 119 S CA -0.869 57.099 58.200 -0.386 0.000 0.888 119 S CB 1.029 64.141 63.200 -0.146 0.000 1.110 119 S HN 0.532 nan 8.310 nan 0.000 0.463 120 L N 4.102 125.071 121.223 -0.422 0.000 2.318 120 L HA 0.603 4.943 4.340 -0.000 0.000 0.277 120 L C -1.471 175.157 176.870 -0.402 0.000 1.008 120 L CA -0.380 54.211 54.840 -0.415 0.000 0.846 120 L CB 0.895 42.850 42.059 -0.173 0.000 1.220 120 L HN 0.687 nan 8.230 nan 0.000 0.423 121 D N 4.738 124.834 120.400 -0.505 0.000 2.350 121 D HA 0.378 5.018 4.640 -0.000 0.000 0.245 121 D C -1.059 174.867 176.300 -0.623 0.000 1.036 121 D CA -0.085 53.663 54.000 -0.419 0.000 0.848 121 D CB 2.263 42.900 40.800 -0.272 0.000 1.307 121 D HN 0.187 nan 8.370 nan 0.000 0.469 122 F N 1.350 121.246 119.950 -0.091 0.000 2.411 122 F HA 0.338 4.865 4.527 -0.000 0.000 0.352 122 F C -0.179 175.548 175.800 -0.121 0.000 1.123 122 F CA -0.807 57.134 58.000 -0.098 0.000 1.044 122 F CB 1.018 39.956 39.000 -0.104 0.000 1.135 122 F HN -0.020 nan 8.300 nan 0.000 0.461 123 L N 3.674 124.912 121.223 0.025 0.000 2.341 123 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 123 L C -0.215 176.648 176.870 -0.011 0.000 1.005 123 L CA -0.932 53.889 54.840 -0.032 0.000 0.818 123 L CB 1.875 43.874 42.059 -0.100 0.000 1.259 123 L HN 0.506 nan 8.230 nan 0.000 0.418 124 R N 2.709 123.203 120.500 -0.012 0.000 2.215 124 R HA 0.358 4.698 4.340 -0.000 0.000 0.336 124 R C -0.183 176.105 176.300 -0.020 0.000 0.996 124 R CA -0.263 55.834 56.100 -0.006 0.000 0.847 124 R CB -0.093 30.214 30.300 0.012 0.000 1.127 124 R HN 0.725 nan 8.270 nan 0.000 0.465 125 N N 3.746 122.428 118.700 -0.029 0.000 2.696 125 N HA -0.264 4.476 4.740 -0.000 0.000 0.271 125 N C 0.619 176.102 175.510 -0.046 0.000 0.997 125 N CA 0.755 53.782 53.050 -0.039 0.000 0.801 125 N CB -0.567 37.903 38.487 -0.029 0.000 0.913 125 N HN 1.071 nan 8.380 nan 0.000 0.557 126 G N -0.742 108.020 108.800 -0.064 0.000 2.220 126 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.269 126 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.269 126 G C -0.079 174.781 174.900 -0.066 0.000 0.977 126 G CA 0.701 45.753 45.100 -0.079 0.000 0.634 126 G HN 0.600 nan 8.290 nan 0.000 0.539 127 E N 0.278 120.451 120.200 -0.044 0.000 2.197 127 E HA 0.406 4.756 4.350 -0.000 0.000 0.281 127 E C 0.481 177.063 176.600 -0.029 0.000 0.995 127 E CA -0.823 55.558 56.400 -0.031 0.000 0.808 127 E CB 0.921 30.614 29.700 -0.012 0.000 1.093 127 E HN 0.295 nan 8.360 nan 0.000 0.394 128 R N 3.563 124.044 120.500 -0.032 0.000 2.370 128 R HA 0.061 4.401 4.340 -0.000 0.000 0.309 128 R C 1.104 177.400 176.300 -0.006 0.000 1.059 128 R CA 0.203 56.286 56.100 -0.028 0.000 0.981 128 R CB 0.218 30.498 30.300 -0.034 0.000 0.972 128 R HN 0.623 nan 8.270 nan 0.000 0.437 129 I N -0.552 120.005 120.570 -0.021 0.000 3.708 129 I HA 0.283 4.453 4.170 -0.000 0.000 0.302 129 I C 0.598 176.640 176.117 -0.126 0.000 1.255 129 I CA -0.137 61.135 61.300 -0.046 0.000 1.362 129 I CB 0.782 38.728 38.000 -0.090 0.000 1.100 129 I HN 0.468 nan 8.210 nan 0.000 0.434 130 T N -0.884 113.614 114.554 -0.093 0.000 2.658 130 T HA 0.686 5.036 4.350 -0.000 0.000 0.305 130 T C -1.148 173.659 174.700 0.178 0.000 1.551 130 T CA 0.014 62.114 62.100 -0.001 0.000 0.985 130 T CB 1.352 70.118 68.868 -0.170 0.000 1.731 130 T HN 0.593 nan 8.240 nan 0.000 0.486 131 G N 0.424 109.364 108.800 0.233 0.000 2.349 131 G HA2 0.496 4.456 3.960 -0.000 0.000 0.294 131 G HA3 0.496 4.456 3.960 -0.000 0.000 0.294 131 G C -1.500 173.512 174.900 0.187 0.000 1.380 131 G CA 0.227 45.462 45.100 0.225 0.000 0.811 131 G HN 0.882 nan 8.290 nan 0.000 0.519 132 S N -0.573 115.211 115.700 0.140 0.000 2.456 132 S HA 0.569 5.039 4.470 -0.000 0.000 0.316 132 S C -0.066 174.593 174.600 0.098 0.000 1.089 132 S CA -0.432 57.842 58.200 0.122 0.000 1.101 132 S CB 0.981 64.280 63.200 0.166 0.000 0.995 132 S HN 0.525 nan 8.310 nan 0.000 0.468 133 Q N 2.132 121.978 119.800 0.077 0.000 2.260 133 Q HA 0.356 4.696 4.340 -0.000 0.000 0.242 133 Q C -0.068 176.005 176.000 0.122 0.000 0.932 133 Q CA -0.626 55.231 55.803 0.089 0.000 0.891 133 Q CB 1.457 30.222 28.738 0.045 0.000 1.222 133 Q HN 0.611 nan 8.270 nan 0.000 0.453 134 V N 3.074 123.110 119.914 0.204 0.000 2.752 134 V HA -0.184 3.936 4.120 -0.000 0.000 0.306 134 V C 0.309 176.352 176.094 -0.085 0.000 1.099 134 V CA 1.308 63.704 62.300 0.159 0.000 1.240 134 V CB -0.312 31.636 31.823 0.208 0.000 0.887 134 V HN 0.894 nan 8.190 nan 0.000 0.499 135 K N 2.964 123.195 120.400 -0.283 0.000 3.553 135 K HA -0.171 4.149 4.320 -0.000 0.000 0.303 135 K C 0.692 177.032 176.600 -0.433 0.000 1.327 135 K CA 1.290 57.169 56.287 -0.681 0.000 0.983 135 K CB -1.343 30.788 32.500 -0.614 0.000 1.275 135 K HN 0.854 nan 8.250 nan 0.000 0.453 136 N N 1.180 119.770 118.700 -0.183 0.000 2.270 136 N HA 0.017 4.757 4.740 -0.000 0.000 0.198 136 N C -0.062 175.278 175.510 -0.283 0.000 1.117 136 N CA 0.399 53.415 53.050 -0.056 0.000 0.845 136 N CB 0.102 38.578 38.487 -0.019 0.000 0.980 136 N HN 0.564 nan 8.380 nan 0.000 0.486 137 N N -1.311 117.092 118.700 -0.496 0.000 2.697 137 N HA 0.665 5.405 4.740 -0.000 0.000 0.272 137 N C -0.005 174.985 175.510 -0.867 0.000 1.381 137 N CA -0.737 51.725 53.050 -0.979 0.000 0.797 137 N CB 2.446 40.634 38.487 -0.498 0.000 1.523 137 N HN -0.093 nan 8.380 nan 0.000 0.518 138 G N -0.701 107.563 108.800 -0.893 0.000 2.250 138 G HA2 0.007 3.967 3.960 -0.000 0.000 0.252 138 G HA3 0.007 3.967 3.960 -0.000 0.000 0.252 138 G C -2.418 172.532 174.900 0.083 0.000 1.325 138 G CA -0.771 44.067 45.100 -0.437 0.000 1.091 138 G HN 0.669 nan 8.290 nan 0.000 0.476 139 Y N 0.198 120.593 120.300 0.159 0.000 2.409 139 Y HA 0.675 5.225 4.550 -0.000 0.000 0.343 139 Y C -0.250 175.710 175.900 0.099 0.000 0.973 139 Y CA -1.021 57.161 58.100 0.137 0.000 1.064 139 Y CB 2.237 40.673 38.460 -0.041 0.000 1.207 139 Y HN 0.553 nan 8.280 nan 0.000 0.452 140 V N 6.403 126.181 119.914 -0.227 0.000 2.378 140 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 140 V C -0.773 175.055 176.094 -0.443 0.000 1.016 140 V CA -0.826 61.338 62.300 -0.225 0.000 0.840 140 V CB 1.373 33.143 31.823 -0.088 0.000 0.994 140 V HN 0.694 nan 8.190 nan 0.000 0.431 141 Q N 2.935 122.529 119.800 -0.344 0.000 2.390 141 Q HA 0.271 4.611 4.340 -0.000 0.000 0.249 141 Q C -0.763 175.174 176.000 -0.105 0.000 0.996 141 Q CA -0.430 55.222 55.803 -0.252 0.000 0.899 141 Q CB 1.555 30.208 28.738 -0.142 0.000 1.216 141 Q HN 0.658 nan 8.270 nan 0.000 0.465 142 D N 1.815 122.189 120.400 -0.043 0.000 2.347 142 D HA 0.068 4.708 4.640 -0.000 0.000 0.235 142 D C 0.258 176.553 176.300 -0.008 0.000 1.149 142 D CA 0.049 54.054 54.000 0.009 0.000 0.850 142 D CB 1.412 42.288 40.800 0.127 0.000 1.061 142 D HN 0.338 nan 8.370 nan 0.000 0.487 143 T N 3.028 117.574 114.554 -0.015 0.000 3.065 143 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 143 T C 1.444 176.141 174.700 -0.005 0.000 1.099 143 T CA 0.133 62.227 62.100 -0.010 0.000 1.063 143 T CB 0.141 69.001 68.868 -0.012 0.000 0.948 143 T HN 0.375 nan 8.240 nan 0.000 0.506 144 N N 2.658 121.355 118.700 -0.005 0.000 2.250 144 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 144 N C 1.364 176.875 175.510 0.002 0.000 1.017 144 N CA 1.107 54.155 53.050 -0.003 0.000 0.866 144 N CB -0.123 38.359 38.487 -0.008 0.000 0.985 144 N HN 0.572 nan 8.380 nan 0.000 0.429 145 N N -0.142 118.563 118.700 0.008 0.000 2.159 145 N HA 0.008 4.748 4.740 -0.000 0.000 0.217 145 N C -0.394 175.115 175.510 -0.001 0.000 1.223 145 N CA 0.095 53.150 53.050 0.008 0.000 0.896 145 N CB 0.309 38.807 38.487 0.020 0.000 1.064 145 N HN -0.229 nan 8.380 nan 0.000 0.518 146 Q N -0.845 118.951 119.800 -0.007 0.000 2.489 146 Q HA -0.217 4.123 4.340 -0.000 0.000 0.259 146 Q C -0.842 175.127 176.000 -0.052 0.000 0.934 146 Q CA 0.878 56.670 55.803 -0.017 0.000 1.131 146 Q CB -2.477 26.259 28.738 -0.004 0.000 1.472 146 Q HN 0.650 nan 8.270 nan 0.000 0.560 147 R N 1.042 121.496 120.500 -0.077 0.000 2.428 147 R HA 0.503 4.843 4.340 -0.000 0.000 0.294 147 R C 0.150 176.228 176.300 -0.370 0.000 1.000 147 R CA -0.615 55.352 56.100 -0.221 0.000 0.960 147 R CB 0.855 31.026 30.300 -0.214 0.000 1.076 147 R HN 0.076 nan 8.270 nan 0.000 0.475 148 N N 2.326 120.710 118.700 -0.526 0.000 2.361 148 N HA 0.347 5.087 4.740 -0.000 0.000 0.302 148 N C -1.203 173.859 175.510 -0.747 0.000 1.074 148 N CA -0.368 52.342 53.050 -0.567 0.000 0.850 148 N CB 1.743 40.015 38.487 -0.359 0.000 1.228 148 N HN 0.400 nan 8.380 nan 0.000 0.491 149 Y N 0.031 120.142 120.300 -0.315 0.000 2.576 149 Y HA 0.519 5.069 4.550 -0.000 0.000 0.346 149 Y C 0.164 176.031 175.900 -0.054 0.000 1.018 149 Y CA -1.076 56.931 58.100 -0.154 0.000 1.050 149 Y CB 1.755 40.132 38.460 -0.138 0.000 1.280 149 Y HN 0.127 nan 8.280 nan 0.000 0.474 150 M N 3.076 122.798 119.600 0.204 0.000 2.528 150 M HA 0.502 4.982 4.480 -0.000 0.000 0.321 150 M C -1.133 175.292 176.300 0.209 0.000 1.153 150 M CA -0.694 54.741 55.300 0.224 0.000 0.951 150 M CB 1.704 34.409 32.600 0.175 0.000 1.705 150 M HN 0.756 nan 8.290 nan 0.000 0.451 151 F N 0.377 120.318 119.950 -0.016 0.000 2.662 151 F HA 0.855 5.382 4.527 -0.000 0.000 0.312 151 F C -1.395 174.283 175.800 -0.202 0.000 1.113 151 F CA -0.855 57.063 58.000 -0.137 0.000 0.951 151 F CB 1.700 40.609 39.000 -0.151 0.000 1.344 151 F HN 0.550 nan 8.300 nan 0.000 0.462 152 E N 1.057 120.956 120.200 -0.503 0.000 2.372 152 E HA 0.552 4.902 4.350 -0.000 0.000 0.279 152 E C -1.884 174.338 176.600 -0.631 0.000 0.946 152 E CA -0.730 55.260 56.400 -0.684 0.000 0.769 152 E CB 1.982 31.180 29.700 -0.836 0.000 1.230 152 E HN 0.743 nan 8.360 nan 0.000 0.442 153 R N 3.605 123.903 120.500 -0.337 0.000 2.451 153 R HA 0.505 4.845 4.340 -0.000 0.000 0.307 153 R C -0.607 175.645 176.300 -0.081 0.000 0.965 153 R CA -0.724 55.262 56.100 -0.191 0.000 0.865 153 R CB 1.086 31.362 30.300 -0.039 0.000 1.174 153 R HN 0.371 nan 8.270 nan 0.000 0.455 154 L N 3.045 124.271 121.223 0.005 0.000 2.275 154 L HA 0.299 4.639 4.340 -0.000 0.000 0.288 154 L C -0.072 176.888 176.870 0.151 0.000 1.046 154 L CA -0.946 53.979 54.840 0.141 0.000 0.805 154 L CB 1.123 43.334 42.059 0.252 0.000 1.193 154 L HN 0.424 nan 8.230 nan 0.000 0.426 155 D N 3.367 123.847 120.400 0.133 0.000 2.423 155 D HA 0.293 4.933 4.640 -0.000 0.000 0.238 155 D C -0.167 176.222 176.300 0.147 0.000 1.142 155 D CA 0.388 54.452 54.000 0.107 0.000 0.884 155 D CB 1.033 41.883 40.800 0.083 0.000 1.199 155 D HN 0.230 nan 8.370 nan 0.000 0.438 156 L N 0.842 122.126 121.223 0.102 0.000 2.334 156 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 156 L C 1.093 178.008 176.870 0.075 0.000 1.013 156 L CA -0.831 54.071 54.840 0.104 0.000 0.816 156 L CB 1.974 44.063 42.059 0.050 0.000 1.278 156 L HN 0.326 nan 8.230 nan 0.000 0.431 157 G N 0.915 109.765 108.800 0.084 0.000 2.535 157 G HA2 0.481 4.441 3.960 -0.000 0.000 0.303 157 G HA3 0.481 4.441 3.960 -0.000 0.000 0.303 157 G C -0.459 174.466 174.900 0.042 0.000 1.237 157 G CA -0.606 44.531 45.100 0.061 0.000 0.986 157 G HN 0.284 nan 8.290 nan 0.000 0.494 158 V N 0.836 120.769 119.914 0.033 0.000 2.540 158 V HA 0.362 4.482 4.120 -0.000 0.000 0.297 158 V C 1.676 177.788 176.094 0.031 0.000 1.024 158 V CA 1.715 64.030 62.300 0.026 0.000 1.105 158 V CB 0.391 32.227 31.823 0.021 0.000 0.938 158 V HN 1.778 nan 8.190 nan 0.000 0.482 159 G N 3.634 112.453 108.800 0.032 0.000 2.168 159 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.263 159 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.263 159 G C 0.229 175.141 174.900 0.021 0.000 0.977 159 G CA 0.506 45.629 45.100 0.039 0.000 0.659 159 G HN 0.836 nan 8.290 nan 0.000 0.533 160 E N 1.430 121.640 120.200 0.016 0.000 2.259 160 E HA 0.504 4.854 4.350 -0.000 0.000 0.281 160 E C 0.701 177.274 176.600 -0.045 0.000 1.037 160 E CA 0.273 56.677 56.400 0.006 0.000 0.854 160 E CB 0.388 30.112 29.700 0.040 0.000 1.051 160 E HN 0.402 nan 8.360 nan 0.000 0.409 161 T N 0.307 114.813 114.554 -0.080 0.000 2.912 161 T HA 0.606 4.956 4.350 -0.000 0.000 0.288 161 T C -0.434 174.106 174.700 -0.267 0.000 1.030 161 T CA -0.889 61.073 62.100 -0.230 0.000 1.020 161 T CB 1.630 70.271 68.868 -0.378 0.000 1.056 161 T HN 0.161 nan 8.240 nan 0.000 0.480 162 V N 2.157 121.757 119.914 -0.522 0.000 2.604 162 V HA 0.647 4.767 4.120 -0.000 0.000 0.305 162 V C -1.397 174.300 176.094 -0.662 0.000 1.043 162 V CA -0.836 61.221 62.300 -0.404 0.000 0.888 162 V CB 1.247 32.856 31.823 -0.356 0.000 0.995 162 V HN 0.974 nan 8.190 nan 0.000 0.429 163 Y N 1.424 121.613 120.300 -0.185 0.000 2.588 163 Y HA 0.841 5.391 4.550 -0.000 0.000 0.343 163 Y C 0.758 176.547 175.900 -0.185 0.000 1.065 163 Y CA 0.223 58.213 58.100 -0.182 0.000 1.038 163 Y CB 2.324 40.684 38.460 -0.168 0.000 1.297 163 Y HN 0.992 nan 8.280 nan 0.000 0.467 164 G N 0.272 109.065 108.800 -0.012 0.000 2.513 164 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.227 164 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.227 164 G C -0.138 174.683 174.900 -0.131 0.000 1.176 164 G CA -0.235 44.831 45.100 -0.057 0.000 0.967 164 G HN 1.232 nan 8.290 nan 0.000 0.587 165 L N -0.104 121.040 121.223 -0.131 0.000 4.351 165 L HA 0.032 4.372 4.340 -0.000 0.000 0.410 165 L C 1.409 178.214 176.870 -0.109 0.000 1.150 165 L CA 1.528 56.257 54.840 -0.186 0.000 0.961 165 L CB -1.726 40.127 42.059 -0.342 0.000 2.130 165 L HN 2.903 nan 8.230 nan 0.000 0.787 166 G N -0.097 108.653 108.800 -0.084 0.000 2.466 166 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.316 166 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.316 166 G C -0.545 174.216 174.900 -0.233 0.000 1.270 166 G CA 0.013 45.040 45.100 -0.122 0.000 0.982 166 G HN 0.304 nan 8.290 nan 0.000 0.506 167 E N 0.949 120.967 120.200 -0.302 0.000 2.003 167 E HA 0.438 4.788 4.350 -0.000 0.000 0.279 167 E C 0.475 176.715 176.600 -0.599 0.000 1.132 167 E CA -0.175 55.964 56.400 -0.435 0.000 0.888 167 E CB 0.019 29.524 29.700 -0.325 0.000 1.056 167 E HN 0.488 nan 8.360 nan 0.000 0.399 168 R N 3.397 123.496 120.500 -0.669 0.000 2.807 168 R HA 0.350 4.690 4.340 -0.000 0.000 0.276 168 R C -0.305 175.554 176.300 -0.736 0.000 0.979 168 R CA -0.736 54.973 56.100 -0.651 0.000 0.928 168 R CB 0.814 30.944 30.300 -0.283 0.000 1.191 168 R HN 0.435 nan 8.270 nan 0.000 0.471 169 F N -0.176 119.749 119.950 -0.042 0.000 2.678 169 F HA 0.064 4.591 4.527 -0.000 0.000 0.305 169 F C 1.422 177.206 175.800 -0.027 0.000 1.090 169 F CA -0.359 57.626 58.000 -0.025 0.000 1.272 169 F CB 0.286 39.290 39.000 0.007 0.000 1.060 169 F HN 0.515 nan 8.300 nan 0.000 0.576 170 T N -0.774 113.812 114.554 0.053 0.000 2.689 170 T HA 0.552 4.902 4.350 -0.000 0.000 0.308 170 T C 0.753 175.442 174.700 -0.019 0.000 1.021 170 T CA -0.546 61.564 62.100 0.018 0.000 0.973 170 T CB 0.560 69.421 68.868 -0.012 0.000 1.113 170 T HN 0.174 nan 8.240 nan 0.000 0.522 171 A N 0.415 123.220 122.820 -0.025 0.000 2.565 171 A HA 0.271 4.591 4.320 -0.000 0.000 0.237 171 A C 1.405 178.952 177.584 -0.061 0.000 1.053 171 A CA -0.428 51.590 52.037 -0.031 0.000 0.755 171 A CB -0.596 18.390 19.000 -0.022 0.000 0.980 171 A HN 0.971 nan 8.150 nan 0.000 0.506 172 L N 3.939 125.132 121.223 -0.049 0.000 1.990 172 L HA -0.110 4.230 4.340 -0.000 0.000 0.213 172 L C 1.039 177.807 176.870 -0.169 0.000 1.072 172 L CA 1.897 56.697 54.840 -0.068 0.000 0.755 172 L CB -0.372 41.689 42.059 0.003 0.000 0.889 172 L HN 0.493 nan 8.230 nan 0.000 0.432 173 V N 0.489 120.279 119.914 -0.206 0.000 2.488 173 V HA 0.064 4.184 4.120 -0.000 0.000 0.277 173 V C 1.366 177.293 176.094 -0.277 0.000 1.046 173 V CA -0.012 62.025 62.300 -0.438 0.000 0.986 173 V CB 1.087 32.639 31.823 -0.450 0.000 0.989 173 V HN 0.299 nan 8.190 nan 0.000 0.475 174 R N 2.612 122.906 120.500 -0.344 0.000 2.246 174 R HA 0.102 4.442 4.340 -0.000 0.000 0.199 174 R C 0.476 176.661 176.300 -0.192 0.000 0.984 174 R CA 0.005 55.958 56.100 -0.244 0.000 1.015 174 R CB -0.125 30.006 30.300 -0.281 0.000 0.930 174 R HN 0.763 nan 8.270 nan 0.000 0.475 175 N N 0.336 118.918 118.700 -0.198 0.000 2.301 175 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 175 N C 0.773 176.233 175.510 -0.084 0.000 1.304 175 N CA 1.599 54.570 53.050 -0.131 0.000 0.851 175 N CB 0.594 39.021 38.487 -0.100 0.000 1.070 175 N HN 0.352 nan 8.380 nan 0.000 0.483 176 G N 0.955 109.711 108.800 -0.075 0.000 2.179 176 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 176 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 176 G C -0.170 174.698 174.900 -0.053 0.000 0.990 176 G CA -0.373 44.693 45.100 -0.056 0.000 0.646 176 G HN 0.568 nan 8.290 nan 0.000 0.517 177 Q N 0.550 120.313 119.800 -0.062 0.000 2.309 177 Q HA 0.592 4.932 4.340 -0.000 0.000 0.264 177 Q C -0.105 175.877 176.000 -0.030 0.000 1.008 177 Q CA -0.094 55.680 55.803 -0.049 0.000 0.853 177 Q CB 2.036 30.736 28.738 -0.064 0.000 1.314 177 Q HN 0.246 nan 8.270 nan 0.000 0.448 178 T N 0.128 114.676 114.554 -0.010 0.000 2.806 178 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 178 T C -0.846 173.878 174.700 0.040 0.000 0.966 178 T CA -0.575 61.537 62.100 0.020 0.000 1.060 178 T CB 0.825 69.697 68.868 0.008 0.000 0.927 178 T HN 0.398 nan 8.240 nan 0.000 0.485 179 V N 4.441 124.411 119.914 0.094 0.000 2.638 179 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 179 V C -1.153 175.080 176.094 0.231 0.000 1.052 179 V CA -0.686 61.680 62.300 0.110 0.000 0.885 179 V CB 2.009 33.836 31.823 0.007 0.000 0.999 179 V HN 0.949 nan 8.190 nan 0.000 0.424 180 E N 3.895 124.214 120.200 0.198 0.000 2.133 180 E HA 0.325 4.675 4.350 -0.000 0.000 0.274 180 E C -0.156 176.632 176.600 0.314 0.000 0.930 180 E CA -0.333 56.212 56.400 0.241 0.000 0.770 180 E CB 1.804 31.595 29.700 0.152 0.000 1.104 180 E HN 0.913 nan 8.360 nan 0.000 0.403 181 T N 0.952 115.744 114.554 0.398 0.000 3.176 181 T HA 0.284 4.634 4.350 -0.000 0.000 0.301 181 T C -0.251 174.769 174.700 0.534 0.000 1.115 181 T CA -0.728 61.621 62.100 0.415 0.000 1.027 181 T CB -0.183 68.955 68.868 0.449 0.000 1.063 181 T HN 0.432 nan 8.240 nan 0.000 0.669 182 W N 4.229 125.666 121.300 0.229 0.000 3.089 182 W HA 0.279 4.939 4.660 -0.000 0.000 0.333 182 W C -1.432 175.279 176.519 0.319 0.000 1.053 182 W CA -0.924 56.582 57.345 0.269 0.000 1.257 182 W CB 1.316 30.866 29.460 0.150 0.000 1.281 182 W HN 0.379 nan 8.180 nan 0.000 0.427 183 N N 4.850 123.627 118.700 0.128 0.000 2.454 183 N HA 0.242 4.982 4.740 -0.000 0.000 0.254 183 N C -0.276 175.343 175.510 0.182 0.000 1.228 183 N CA 0.550 53.669 53.050 0.116 0.000 0.900 183 N CB 0.753 39.236 38.487 -0.006 0.000 1.089 183 N HN 0.398 nan 8.380 nan 0.000 0.449 184 R N -0.001 120.618 120.500 0.198 0.000 2.739 184 R HA 0.216 4.556 4.340 -0.000 0.000 0.271 184 R C -1.451 174.950 176.300 0.170 0.000 1.010 184 R CA -0.784 55.452 56.100 0.228 0.000 0.897 184 R CB 1.515 31.957 30.300 0.236 0.000 1.236 184 R HN 0.401 nan 8.270 nan 0.000 0.466 185 D N 0.674 121.206 120.400 0.219 0.000 2.493 185 D HA 0.262 4.902 4.640 -0.000 0.000 0.235 185 D C 0.066 176.431 176.300 0.109 0.000 1.117 185 D CA -0.087 54.035 54.000 0.204 0.000 0.930 185 D CB 0.888 41.877 40.800 0.316 0.000 1.010 185 D HN 0.724 nan 8.370 nan 0.000 0.514 186 G N 1.709 110.461 108.800 -0.081 0.000 3.651 186 G HA2 0.505 4.465 3.960 -0.000 0.000 0.279 186 G HA3 0.505 4.465 3.960 -0.000 0.000 0.279 186 G C 0.830 175.698 174.900 -0.052 0.000 1.024 186 G CA 0.111 45.199 45.100 -0.021 0.000 0.813 186 G HN 0.815 nan 8.290 nan 0.000 0.518 187 G N 0.359 109.120 108.800 -0.066 0.000 2.601 187 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.252 187 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.252 187 G C 0.764 175.495 174.900 -0.282 0.000 1.294 187 G CA 0.844 45.931 45.100 -0.023 0.000 0.912 187 G HN 1.232 nan 8.290 nan 0.000 0.574 188 T N -4.142 110.198 114.554 -0.356 0.000 3.182 188 T HA 0.613 4.963 4.350 -0.000 0.000 0.277 188 T C 1.104 175.432 174.700 -0.621 0.000 1.013 188 T CA 1.007 62.461 62.100 -1.077 0.000 0.900 188 T CB 0.599 68.899 68.868 -0.947 0.000 1.098 188 T HN 0.910 nan 8.240 nan 0.000 0.543 189 S N 1.428 117.018 115.700 -0.182 0.000 2.701 189 S HA 0.314 4.784 4.470 -0.000 0.000 0.242 189 S C 0.709 175.337 174.600 0.047 0.000 1.025 189 S CA -0.073 58.127 58.200 0.001 0.000 1.016 189 S CB 0.743 63.989 63.200 0.076 0.000 0.977 189 S HN 0.880 nan 8.310 nan 0.000 0.546 190 T N -0.652 113.941 114.554 0.064 0.000 2.716 190 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 190 T C 0.589 175.362 174.700 0.122 0.000 1.052 190 T CA -0.567 61.582 62.100 0.082 0.000 1.024 190 T CB 1.258 70.163 68.868 0.063 0.000 1.349 190 T HN -0.041 nan 8.240 nan 0.000 0.525 191 E N 0.162 120.416 120.200 0.089 0.000 2.478 191 E HA -0.025 4.325 4.350 -0.000 0.000 0.198 191 E C 0.177 176.831 176.600 0.091 0.000 1.046 191 E CA 0.392 56.840 56.400 0.080 0.000 0.870 191 E CB -0.081 29.654 29.700 0.057 0.000 0.818 191 E HN 0.732 nan 8.360 nan 0.000 0.527 192 Q N 0.295 120.153 119.800 0.097 0.000 2.256 192 Q HA 0.617 4.957 4.340 -0.000 0.000 0.232 192 Q C -0.661 175.383 176.000 0.073 0.000 0.965 192 Q CA -0.363 55.493 55.803 0.087 0.000 0.908 192 Q CB 1.681 30.463 28.738 0.073 0.000 1.209 192 Q HN 0.232 nan 8.270 nan 0.000 0.489 193 A N 0.610 123.454 122.820 0.041 0.000 2.486 193 A HA 0.451 4.771 4.320 -0.000 0.000 0.300 193 A C -1.028 176.561 177.584 0.008 0.000 1.048 193 A CA -0.685 51.361 52.037 0.016 0.000 0.696 193 A CB 0.489 19.500 19.000 0.017 0.000 1.278 193 A HN 0.790 nan 8.150 nan 0.000 0.405 194 Y N 0.700 121.097 120.300 0.161 0.000 2.457 194 Y HA 0.098 4.648 4.550 -0.000 0.000 0.292 194 Y C 0.734 176.680 175.900 0.076 0.000 1.125 194 Y CA 1.087 59.254 58.100 0.111 0.000 1.254 194 Y CB 0.108 38.624 38.460 0.093 0.000 1.012 194 Y HN 0.499 nan 8.280 nan 0.000 0.555 195 K N 1.475 121.994 120.400 0.197 0.000 2.592 195 K HA 0.224 4.544 4.320 -0.000 0.000 0.212 195 K C -1.065 175.546 176.600 0.017 0.000 1.013 195 K CA -0.246 56.078 56.287 0.062 0.000 1.034 195 K CB 0.572 33.015 32.500 -0.096 0.000 1.292 195 K HN 0.095 nan 8.250 nan 0.000 0.521 196 N N 3.390 122.149 118.700 0.098 0.000 2.473 196 N HA 0.436 5.176 4.740 -0.000 0.000 0.291 196 N C -0.675 174.927 175.510 0.154 0.000 1.083 196 N CA -0.346 52.777 53.050 0.121 0.000 0.951 196 N CB 1.639 40.248 38.487 0.202 0.000 1.164 196 N HN 0.262 nan 8.380 nan 0.000 0.480 197 I N 2.634 123.283 120.570 0.131 0.000 2.548 197 I HA 0.222 4.391 4.170 -0.000 0.000 0.287 197 I C -2.306 173.909 176.117 0.163 0.000 1.103 197 I CA -1.873 59.524 61.300 0.161 0.000 1.049 197 I CB 2.252 40.343 38.000 0.152 0.000 1.232 197 I HN 0.237 nan 8.210 nan 0.000 0.429 198 P HA 0.157 nan 4.420 nan 0.000 0.226 198 P C -0.615 176.870 177.300 0.309 0.000 1.758 198 P CA 0.097 63.430 63.100 0.388 0.000 0.896 198 P CB -0.549 31.501 31.700 0.583 0.000 1.784 199 F N 2.876 122.799 119.950 -0.046 0.000 2.493 199 F HA 0.509 5.036 4.527 -0.000 0.000 0.329 199 F C -1.115 174.570 175.800 -0.192 0.000 1.126 199 F CA -1.360 56.535 58.000 -0.174 0.000 0.937 199 F CB 1.371 40.117 39.000 -0.423 0.000 1.146 199 F HN -0.039 nan 8.300 nan 0.000 0.442 200 Y N 5.561 125.282 120.300 -0.965 0.000 2.598 200 Y HA 0.836 5.386 4.550 -0.000 0.000 0.340 200 Y C -1.119 174.080 175.900 -1.168 0.000 1.038 200 Y CA -1.735 55.818 58.100 -0.911 0.000 1.100 200 Y CB 1.564 39.709 38.460 -0.526 0.000 1.281 200 Y HN 0.739 nan 8.280 nan 0.000 0.488 201 M N 1.481 120.756 119.600 -0.542 0.000 2.593 201 M HA 0.800 5.280 4.480 -0.000 0.000 0.290 201 M C -1.261 174.957 176.300 -0.136 0.000 1.244 201 M CA -0.695 54.343 55.300 -0.437 0.000 0.857 201 M CB 2.561 34.974 32.600 -0.310 0.000 1.738 201 M HN 0.885 nan 8.290 nan 0.000 0.461 202 T N -2.176 112.208 114.554 -0.283 0.000 2.926 202 T HA 0.406 4.756 4.350 -0.000 0.000 0.289 202 T C 0.450 175.081 174.700 -0.116 0.000 1.054 202 T CA -0.610 61.402 62.100 -0.147 0.000 1.015 202 T CB 1.207 69.873 68.868 -0.338 0.000 1.167 202 T HN 0.848 nan 8.240 nan 0.000 0.526 203 N N 0.214 118.922 118.700 0.013 0.000 2.567 203 N HA -0.058 4.682 4.740 -0.000 0.000 0.195 203 N C 0.993 176.481 175.510 -0.036 0.000 1.242 203 N CA 0.034 53.067 53.050 -0.029 0.000 0.884 203 N CB -0.372 38.130 38.487 0.026 0.000 1.007 203 N HN 0.707 nan 8.380 nan 0.000 0.450 204 R N 0.019 120.481 120.500 -0.063 0.000 2.393 204 R HA 0.148 4.488 4.340 -0.000 0.000 0.244 204 R C 0.319 176.646 176.300 0.045 0.000 0.920 204 R CA 0.508 56.623 56.100 0.025 0.000 1.076 204 R CB -0.265 30.120 30.300 0.143 0.000 1.119 204 R HN 0.294 nan 8.270 nan 0.000 0.524 205 G N 1.049 109.816 108.800 -0.056 0.000 2.160 205 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 205 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 205 G C -0.459 174.487 174.900 0.076 0.000 1.022 205 G CA 0.790 45.885 45.100 -0.008 0.000 0.741 205 G HN 0.529 nan 8.290 nan 0.000 0.508 206 Y N -1.932 118.354 120.300 -0.024 0.000 2.605 206 Y HA 0.853 5.403 4.550 -0.000 0.000 0.343 206 Y C 0.438 176.270 175.900 -0.113 0.000 1.036 206 Y CA -1.367 56.705 58.100 -0.047 0.000 1.065 206 Y CB 1.052 39.484 38.460 -0.046 0.000 1.288 206 Y HN 0.568 nan 8.280 nan 0.000 0.481 207 G N -0.068 108.730 108.800 -0.004 0.000 2.630 207 G HA2 0.610 4.570 3.960 -0.000 0.000 0.296 207 G HA3 0.610 4.570 3.960 -0.000 0.000 0.296 207 G C -1.876 172.863 174.900 -0.268 0.000 1.285 207 G CA -0.831 44.081 45.100 -0.313 0.000 0.958 207 G HN 1.411 nan 8.290 nan 0.000 0.479 208 V N 0.145 119.627 119.914 -0.720 0.000 2.733 208 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 208 V C -1.657 174.307 176.094 -0.217 0.000 1.084 208 V CA -0.946 61.114 62.300 -0.399 0.000 0.905 208 V CB 1.544 33.111 31.823 -0.427 0.000 1.010 208 V HN 0.860 nan 8.190 nan 0.000 0.424 209 L N 7.225 128.599 121.223 0.252 0.000 2.272 209 L HA 0.710 5.050 4.340 -0.000 0.000 0.289 209 L C -0.478 176.621 176.870 0.381 0.000 1.032 209 L CA 0.034 55.125 54.840 0.417 0.000 0.810 209 L CB 1.661 44.095 42.059 0.626 0.000 1.205 209 L HN 0.629 nan 8.230 nan 0.000 0.422 210 V N 4.932 125.019 119.914 0.289 0.000 2.385 210 V HA 0.249 4.369 4.120 -0.000 0.000 0.269 210 V C 0.393 176.766 176.094 0.465 0.000 1.043 210 V CA -0.499 61.965 62.300 0.273 0.000 0.906 210 V CB 0.872 32.703 31.823 0.013 0.000 0.995 210 V HN 0.795 nan 8.190 nan 0.000 0.467 211 N N 3.845 122.792 118.700 0.411 0.000 3.331 211 N HA 0.172 4.912 4.740 -0.000 0.000 0.303 211 N C -0.667 174.720 175.510 -0.205 0.000 1.326 211 N CA -0.192 53.043 53.050 0.308 0.000 1.207 211 N CB -0.494 38.209 38.487 0.360 0.000 1.477 211 N HN 0.807 nan 8.380 nan 0.000 0.541 212 H N -0.538 118.658 119.070 0.210 0.000 3.172 212 H HA 0.266 4.822 4.556 -0.000 0.000 0.322 212 H C -1.874 173.415 175.328 -0.064 0.000 1.003 212 H CA -1.309 54.753 56.048 0.023 0.000 1.466 212 H CB 1.928 31.737 29.762 0.078 0.000 1.673 212 H HN 0.191 nan 8.280 nan 0.000 0.512 213 P HA -0.136 nan 4.420 nan 0.000 0.222 213 P C -0.016 177.384 177.300 0.167 0.000 1.147 213 P CA 0.883 63.831 63.100 -0.254 0.000 0.790 213 P CB 0.393 31.820 31.700 -0.456 0.000 0.780 214 Q N -0.968 118.959 119.800 0.211 0.000 2.631 214 Q HA 0.082 4.422 4.340 -0.000 0.000 0.210 214 Q C 0.313 176.567 176.000 0.422 0.000 1.094 214 Q CA -0.265 55.742 55.803 0.340 0.000 1.055 214 Q CB -0.663 28.218 28.738 0.239 0.000 1.261 214 Q HN 0.011 nan 8.270 nan 0.000 0.615 215 C N 0.978 120.552 119.300 0.458 0.000 2.590 215 C HA 0.259 4.719 4.460 -0.000 0.000 0.411 215 C C -0.259 174.861 174.990 0.216 0.000 1.420 215 C CA -0.387 58.847 59.018 0.360 0.000 1.643 215 C CB -1.148 26.600 27.740 0.014 0.000 2.528 215 C HN 0.467 nan 8.230 nan 0.000 0.606 216 V N 6.869 126.935 119.914 0.254 0.000 2.435 216 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 216 V C 0.267 176.418 176.094 0.096 0.000 1.030 216 V CA -0.139 62.227 62.300 0.109 0.000 0.881 216 V CB 1.799 33.675 31.823 0.088 0.000 0.983 216 V HN 0.902 nan 8.190 nan 0.000 0.445 217 S N 4.877 120.551 115.700 -0.043 0.000 2.461 217 S HA 0.634 5.104 4.470 -0.000 0.000 0.322 217 S C -0.864 173.710 174.600 -0.045 0.000 1.063 217 S CA -0.423 57.783 58.200 0.009 0.000 1.120 217 S CB -0.223 62.946 63.200 -0.052 0.000 0.968 217 S HN 0.398 nan 8.310 nan 0.000 0.467 218 F N 3.096 123.089 119.950 0.071 0.000 2.408 218 F HA 0.417 4.944 4.527 -0.000 0.000 0.344 218 F C 0.862 176.661 175.800 -0.002 0.000 1.112 218 F CA -0.630 57.410 58.000 0.067 0.000 1.096 218 F CB 1.187 40.208 39.000 0.035 0.000 1.129 218 F HN 0.381 nan 8.300 nan 0.000 0.486 219 E N 3.665 123.946 120.200 0.134 0.000 2.121 219 E HA 0.239 4.589 4.350 -0.000 0.000 0.255 219 E C -0.914 175.699 176.600 0.023 0.000 0.906 219 E CA -0.353 56.071 56.400 0.040 0.000 0.745 219 E CB 1.711 31.395 29.700 -0.027 0.000 1.155 219 E HN 0.245 nan 8.360 nan 0.000 0.424 220 V N 1.745 121.654 119.914 -0.008 0.000 2.299 220 V HA 0.243 4.363 4.120 -0.000 0.000 0.255 220 V C 1.348 177.389 176.094 -0.089 0.000 1.100 220 V CA 0.059 62.308 62.300 -0.084 0.000 0.938 220 V CB 0.314 32.039 31.823 -0.164 0.000 1.139 220 V HN 0.905 nan 8.190 nan 0.000 0.490 221 G N 4.557 113.313 108.800 -0.074 0.000 2.296 221 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.282 221 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.282 221 G C 0.812 175.678 174.900 -0.056 0.000 1.014 221 G CA 0.840 45.903 45.100 -0.063 0.000 0.812 221 G HN 1.013 nan 8.290 nan 0.000 0.508 222 S N -2.206 113.463 115.700 -0.052 0.000 2.520 222 S HA 0.344 4.814 4.470 -0.000 0.000 0.219 222 S C 1.387 175.954 174.600 -0.055 0.000 1.028 222 S CA 0.846 59.017 58.200 -0.049 0.000 0.921 222 S CB 0.645 63.820 63.200 -0.041 0.000 0.844 222 S HN 0.615 nan 8.310 nan 0.000 0.495 223 E N 1.328 121.491 120.200 -0.063 0.000 2.176 223 E HA 0.183 4.533 4.350 -0.000 0.000 0.194 223 E C -0.433 176.120 176.600 -0.079 0.000 0.947 223 E CA 0.044 56.398 56.400 -0.078 0.000 0.960 223 E CB 0.433 30.074 29.700 -0.098 0.000 1.002 223 E HN 0.041 nan 8.360 nan 0.000 0.479 224 K N 2.422 122.777 120.400 -0.074 0.000 2.264 224 K HA 0.116 4.436 4.320 -0.000 0.000 0.277 224 K C 1.040 177.607 176.600 -0.056 0.000 1.067 224 K CA 0.033 56.279 56.287 -0.069 0.000 0.900 224 K CB 1.693 34.154 32.500 -0.064 0.000 1.124 224 K HN 0.236 nan 8.250 nan 0.000 0.469 225 V N 0.381 120.262 119.914 -0.055 0.000 2.720 225 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 225 V C 1.049 177.119 176.094 -0.039 0.000 1.082 225 V CA 1.757 64.028 62.300 -0.047 0.000 1.101 225 V CB -0.563 31.234 31.823 -0.044 0.000 0.693 225 V HN 0.627 nan 8.190 nan 0.000 0.479 226 S N -0.753 114.927 115.700 -0.033 0.000 2.525 226 S HA 0.530 5.000 4.470 -0.000 0.000 0.242 226 S C -0.106 174.491 174.600 -0.005 0.000 1.164 226 S CA -0.757 57.433 58.200 -0.018 0.000 1.154 226 S CB -0.306 62.888 63.200 -0.010 0.000 0.875 226 S HN 0.749 nan 8.310 nan 0.000 0.482 227 K N 0.230 120.621 120.400 -0.015 0.000 2.512 227 K HA 0.594 4.914 4.320 -0.000 0.000 0.263 227 K C -1.533 175.056 176.600 -0.019 0.000 0.966 227 K CA -1.002 55.286 56.287 0.001 0.000 0.851 227 K CB 2.325 34.824 32.500 -0.001 0.000 1.395 227 K HN 0.035 nan 8.250 nan 0.000 0.440 228 V N 2.265 122.180 119.914 0.001 0.000 2.333 228 V HA 0.183 4.303 4.120 -0.000 0.000 0.274 228 V C -0.181 175.956 176.094 0.072 0.000 1.028 228 V CA -0.544 61.750 62.300 -0.010 0.000 0.851 228 V CB 0.892 32.614 31.823 -0.169 0.000 1.000 228 V HN 0.662 nan 8.190 nan 0.000 0.456 229 Q N 5.275 125.097 119.800 0.037 0.000 2.241 229 Q HA 0.668 5.008 4.340 -0.000 0.000 0.254 229 Q C -1.430 174.575 176.000 0.008 0.000 0.917 229 Q CA -0.547 55.219 55.803 -0.062 0.000 0.919 229 Q CB 1.481 30.183 28.738 -0.059 0.000 1.237 229 Q HN 0.715 nan 8.270 nan 0.000 0.434 230 F N 0.330 120.217 119.950 -0.105 0.000 2.578 230 F HA 0.728 5.255 4.527 -0.000 0.000 0.311 230 F C -1.036 174.666 175.800 -0.163 0.000 1.094 230 F CA -0.918 56.893 58.000 -0.314 0.000 0.923 230 F CB 1.627 40.226 39.000 -0.668 0.000 1.230 230 F HN 0.464 nan 8.300 nan 0.000 0.450 231 S N 1.789 117.464 115.700 -0.041 0.000 2.569 231 S HA 0.887 5.357 4.470 -0.000 0.000 0.280 231 S C -1.783 172.803 174.600 -0.023 0.000 1.111 231 S CA -0.852 57.344 58.200 -0.007 0.000 0.887 231 S CB 1.834 64.995 63.200 -0.066 0.000 1.095 231 S HN 1.309 nan 8.310 nan 0.000 0.476 232 V N 0.741 120.663 119.914 0.013 0.000 2.971 232 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 232 V C -0.941 175.206 176.094 0.088 0.000 1.130 232 V CA -0.735 61.551 62.300 -0.023 0.000 0.964 232 V CB 1.934 33.574 31.823 -0.305 0.000 1.029 232 V HN 1.122 nan 8.190 nan 0.000 0.427 233 E N 3.537 123.782 120.200 0.075 0.000 2.081 233 E HA 0.491 4.841 4.350 -0.000 0.000 0.270 233 E C -0.548 175.966 176.600 -0.143 0.000 1.180 233 E CA 0.356 56.649 56.400 -0.178 0.000 0.926 233 E CB 0.354 29.907 29.700 -0.245 0.000 1.035 233 E HN 0.722 nan 8.360 nan 0.000 0.418 234 S N 3.051 118.678 115.700 -0.121 0.000 2.622 234 S HA 0.076 4.546 4.470 -0.000 0.000 0.275 234 S C -0.219 174.430 174.600 0.082 0.000 1.112 234 S CA -0.715 57.450 58.200 -0.059 0.000 0.837 234 S CB 1.180 64.234 63.200 -0.244 0.000 1.082 234 S HN 0.522 nan 8.310 nan 0.000 0.456 235 E N 0.831 121.149 120.200 0.197 0.000 2.478 235 E HA 0.167 4.517 4.350 -0.000 0.000 0.194 235 E C -0.288 176.530 176.600 0.364 0.000 1.045 235 E CA 0.578 57.169 56.400 0.318 0.000 0.868 235 E CB 0.068 29.956 29.700 0.313 0.000 0.885 235 E HN 0.600 nan 8.360 nan 0.000 0.505 236 Y N -1.938 118.486 120.300 0.207 0.000 2.588 236 Y HA 0.618 5.168 4.550 -0.000 0.000 0.343 236 Y C -1.328 174.722 175.900 0.249 0.000 1.065 236 Y CA -1.729 56.498 58.100 0.212 0.000 1.038 236 Y CB 0.965 39.528 38.460 0.172 0.000 1.297 236 Y HN -0.214 nan 8.280 nan 0.000 0.467 237 L N 2.649 124.017 121.223 0.241 0.000 2.356 237 L HA 0.591 4.931 4.340 -0.000 0.000 0.277 237 L C -1.137 176.023 176.870 0.483 0.000 0.996 237 L CA -0.552 54.459 54.840 0.285 0.000 0.822 237 L CB 1.898 44.116 42.059 0.264 0.000 1.256 237 L HN 0.898 nan 8.230 nan 0.000 0.413 238 E N 3.985 124.558 120.200 0.621 0.000 2.224 238 E HA 0.520 4.870 4.350 -0.000 0.000 0.265 238 E C -1.926 174.815 176.600 0.235 0.000 0.878 238 E CA -0.606 55.962 56.400 0.280 0.000 0.759 238 E CB 1.266 31.103 29.700 0.229 0.000 1.164 238 E HN 0.559 nan 8.360 nan 0.000 0.414 239 Y N 1.473 121.733 120.300 -0.068 0.000 2.609 239 Y HA 0.691 5.241 4.550 -0.000 0.000 0.342 239 Y C -1.669 173.994 175.900 -0.394 0.000 1.058 239 Y CA -1.521 56.515 58.100 -0.106 0.000 1.055 239 Y CB 1.030 39.542 38.460 0.087 0.000 1.292 239 Y HN 0.242 nan 8.280 nan 0.000 0.476 240 F N 1.653 121.756 119.950 0.254 0.000 2.460 240 F HA 0.569 5.096 4.527 -0.000 0.000 0.341 240 F C -0.609 175.240 175.800 0.081 0.000 1.130 240 F CA -1.198 56.859 58.000 0.095 0.000 0.962 240 F CB 1.901 41.014 39.000 0.189 0.000 1.171 240 F HN 0.347 nan 8.300 nan 0.000 0.436 241 V N 5.429 125.402 119.914 0.097 0.000 2.461 241 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 241 V C 0.188 176.302 176.094 0.032 0.000 1.047 241 V CA -0.409 61.856 62.300 -0.059 0.000 0.955 241 V CB 1.054 32.605 31.823 -0.453 0.000 0.988 241 V HN 0.516 nan 8.190 nan 0.000 0.471 242 I N 3.806 124.421 120.570 0.076 0.000 2.382 242 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 242 I C -0.183 175.996 176.117 0.103 0.000 1.002 242 I CA -0.494 60.864 61.300 0.097 0.000 1.135 242 I CB 1.689 39.804 38.000 0.190 0.000 1.288 242 I HN 0.518 nan 8.210 nan 0.000 0.448 243 D N 4.083 124.522 120.400 0.065 0.000 2.357 243 D HA 0.349 4.989 4.640 -0.000 0.000 0.242 243 D C 0.640 176.977 176.300 0.063 0.000 1.153 243 D CA 0.285 54.327 54.000 0.071 0.000 0.918 243 D CB 1.694 42.516 40.800 0.037 0.000 1.181 243 D HN 0.609 nan 8.370 nan 0.000 0.435 244 G N 0.730 109.568 108.800 0.063 0.000 2.529 244 G HA2 0.126 4.085 3.960 -0.000 0.000 0.220 244 G HA3 0.126 4.085 3.960 -0.000 0.000 0.220 244 G C -1.571 173.338 174.900 0.016 0.000 1.976 244 G CA -0.183 44.937 45.100 0.033 0.000 0.789 244 G HN 0.594 nan 8.290 nan 0.000 0.695 245 P HA 0.200 nan 4.420 nan 0.000 0.256 245 P C -0.048 177.260 177.300 0.013 0.000 1.384 245 P CA 0.616 63.733 63.100 0.029 0.000 0.879 245 P CB 0.582 32.297 31.700 0.026 0.000 1.403 246 T N -0.028 114.522 114.554 -0.006 0.000 2.932 246 T HA 0.421 4.771 4.350 -0.000 0.000 0.289 246 T C -1.981 172.694 174.700 -0.041 0.000 1.039 246 T CA -2.439 59.644 62.100 -0.028 0.000 1.024 246 T CB 1.545 70.390 68.868 -0.038 0.000 1.090 246 T HN -0.320 nan 8.240 nan 0.000 0.496 247 P HA -0.093 nan 4.420 nan 0.000 0.216 247 P C 1.139 178.400 177.300 -0.066 0.000 1.157 247 P CA 1.582 64.630 63.100 -0.087 0.000 0.880 247 P CB 0.137 31.753 31.700 -0.140 0.000 0.791 248 K N -0.840 119.516 120.400 -0.075 0.000 2.152 248 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 248 K C 2.098 178.668 176.600 -0.050 0.000 1.048 248 K CA 1.528 57.773 56.287 -0.071 0.000 0.933 248 K CB -0.546 31.905 32.500 -0.082 0.000 0.721 248 K HN 0.081 nan 8.250 nan 0.000 0.447 249 A N 0.726 123.524 122.820 -0.037 0.000 1.970 249 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 249 A C 2.295 179.879 177.584 -0.001 0.000 1.170 249 A CA 0.816 52.839 52.037 -0.024 0.000 0.645 249 A CB -0.345 18.643 19.000 -0.019 0.000 0.816 249 A HN 0.045 nan 8.150 nan 0.000 0.447 250 V N 0.308 120.233 119.914 0.018 0.000 2.332 250 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 250 V C 2.516 178.661 176.094 0.085 0.000 1.055 250 V CA 2.015 64.358 62.300 0.072 0.000 1.038 250 V CB -0.764 31.111 31.823 0.087 0.000 0.651 250 V HN 0.570 nan 8.190 nan 0.000 0.450 251 L N -0.212 121.031 121.223 0.032 0.000 2.156 251 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 251 L C 2.409 179.264 176.870 -0.025 0.000 1.095 251 L CA 1.448 56.286 54.840 -0.003 0.000 0.770 251 L CB -0.617 41.412 42.059 -0.051 0.000 0.914 251 L HN 0.379 nan 8.230 nan 0.000 0.439 252 D N 0.660 121.038 120.400 -0.037 0.000 2.087 252 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 252 D C 2.301 178.570 176.300 -0.051 0.000 0.993 252 D CA 1.525 55.492 54.000 -0.055 0.000 0.828 252 D CB 0.075 40.845 40.800 -0.051 0.000 0.968 252 D HN 0.098 nan 8.370 nan 0.000 0.448 253 R N -1.026 119.460 120.500 -0.022 0.000 2.083 253 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 253 R C 2.485 178.778 176.300 -0.011 0.000 1.137 253 R CA 1.383 57.468 56.100 -0.025 0.000 0.951 253 R CB -0.732 29.561 30.300 -0.011 0.000 0.851 253 R HN 0.365 nan 8.270 nan 0.000 0.434 254 Y N 1.989 122.228 120.300 -0.101 0.000 2.128 254 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 254 Y C 2.604 178.371 175.900 -0.222 0.000 1.154 254 Y CA 2.153 60.146 58.100 -0.179 0.000 1.149 254 Y CB -0.479 37.699 38.460 -0.470 0.000 0.976 254 Y HN 0.148 nan 8.280 nan 0.000 0.505 255 T N -1.602 112.775 114.554 -0.293 0.000 2.904 255 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 255 T C 2.045 176.566 174.700 -0.299 0.000 1.059 255 T CA 1.121 62.992 62.100 -0.382 0.000 1.137 255 T CB -0.470 68.242 68.868 -0.260 0.000 0.879 255 T HN 0.396 nan 8.240 nan 0.000 0.467 256 R N -0.486 119.902 120.500 -0.187 0.000 2.081 256 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 256 R C 2.149 178.388 176.300 -0.101 0.000 1.131 256 R CA 1.333 57.357 56.100 -0.128 0.000 0.960 256 R CB -0.476 29.774 30.300 -0.084 0.000 0.856 256 R HN 0.416 nan 8.270 nan 0.000 0.436 257 F N 0.971 120.720 119.950 -0.334 0.000 2.206 257 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 257 F C 2.012 177.557 175.800 -0.426 0.000 1.090 257 F CA 1.887 59.670 58.000 -0.361 0.000 1.323 257 F CB -0.271 38.493 39.000 -0.394 0.000 1.028 257 F HN 0.154 nan 8.300 nan 0.000 0.492 258 T N -2.855 111.331 114.554 -0.614 0.000 2.975 258 T HA 0.537 4.887 4.350 -0.000 0.000 0.257 258 T C 0.683 175.042 174.700 -0.568 0.000 1.003 258 T CA 0.285 61.926 62.100 -0.766 0.000 0.932 258 T CB 0.188 68.405 68.868 -1.086 0.000 1.087 258 T HN 0.542 nan 8.240 nan 0.000 0.512 259 G N 1.450 109.961 108.800 -0.481 0.000 2.634 259 G HA2 0.243 4.203 3.960 -0.000 0.000 0.568 259 G HA3 0.243 4.203 3.960 -0.000 0.000 0.568 259 G C -1.378 173.283 174.900 -0.398 0.000 1.495 259 G CA -1.273 43.582 45.100 -0.409 0.000 0.903 259 G HN 0.309 nan 8.290 nan 0.000 0.646 260 R N 1.754 122.072 120.500 -0.303 0.000 2.357 260 R HA 0.464 4.804 4.340 -0.000 0.000 0.296 260 R C -2.348 173.799 176.300 -0.256 0.000 1.052 260 R CA -1.955 53.998 56.100 -0.245 0.000 0.988 260 R CB 0.705 30.908 30.300 -0.161 0.000 1.025 260 R HN 0.333 nan 8.270 nan 0.000 0.469 261 P HA -0.026 nan 4.420 nan 0.000 0.266 261 P C -0.482 176.801 177.300 -0.029 0.000 1.195 261 P CA 0.240 63.272 63.100 -0.112 0.000 0.768 261 P CB 0.534 32.250 31.700 0.026 0.000 0.838 262 A N 3.067 125.855 122.820 -0.053 0.000 2.313 262 A HA 0.348 4.668 4.320 -0.000 0.000 0.261 262 A C -0.342 177.310 177.584 0.115 0.000 1.090 262 A CA -0.265 51.797 52.037 0.041 0.000 0.807 262 A CB -0.170 18.887 19.000 0.096 0.000 1.055 262 A HN 0.561 nan 8.150 nan 0.000 0.492 263 L N 2.164 123.453 121.223 0.111 0.000 2.268 263 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 263 L C -2.243 174.654 176.870 0.046 0.000 1.064 263 L CA -1.826 53.048 54.840 0.056 0.000 0.824 263 L CB 0.396 42.484 42.059 0.049 0.000 1.202 263 L HN 0.357 nan 8.230 nan 0.000 0.433 264 P HA 0.261 nan 4.420 nan 0.000 0.272 264 P C -2.662 174.731 177.300 0.154 0.000 1.230 264 P CA -1.163 61.901 63.100 -0.059 0.000 0.788 264 P CB -0.245 31.257 31.700 -0.330 0.000 0.949 265 P HA -0.008 nan 4.420 nan 0.000 0.269 265 P C 0.273 177.637 177.300 0.107 0.000 1.209 265 P CA 0.116 63.187 63.100 -0.049 0.000 0.776 265 P CB 0.572 31.977 31.700 -0.490 0.000 0.876 266 A N 4.409 127.355 122.820 0.210 0.000 1.978 266 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 266 A C 1.980 179.782 177.584 0.364 0.000 1.170 266 A CA 1.426 53.619 52.037 0.261 0.000 0.636 266 A CB -1.599 17.416 19.000 0.024 0.000 0.810 266 A HN 0.831 nan 8.150 nan 0.000 0.448 267 W N 0.600 122.043 121.300 0.238 0.000 2.425 267 W HA -0.117 4.543 4.660 -0.000 0.000 0.277 267 W C 1.775 178.427 176.519 0.223 0.000 1.231 267 W CA 1.221 58.657 57.345 0.152 0.000 1.248 267 W CB -1.384 28.108 29.460 0.052 0.000 1.117 267 W HN 0.518 nan 8.180 nan 0.000 0.568 268 S N 0.368 116.012 115.700 -0.094 0.000 2.507 268 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 268 S C 1.359 176.150 174.600 0.319 0.000 0.988 268 S CA 0.586 58.831 58.200 0.075 0.000 0.944 268 S CB -1.334 61.710 63.200 -0.260 0.000 0.762 268 S HN 0.171 nan 8.310 nan 0.000 0.526 269 F N 2.404 122.469 119.950 0.191 0.000 2.811 269 F HA 0.356 4.883 4.527 -0.000 0.000 0.301 269 F C 1.954 177.851 175.800 0.162 0.000 1.151 269 F CA -0.113 57.918 58.000 0.052 0.000 1.412 269 F CB -0.489 38.514 39.000 0.005 0.000 1.113 269 F HN 0.340 nan 8.300 nan 0.000 0.579 270 G N -0.025 108.993 108.800 0.363 0.000 2.504 270 G HA2 0.314 4.274 3.960 -0.000 0.000 0.257 270 G HA3 0.314 4.274 3.960 -0.000 0.000 0.257 270 G C -1.070 174.170 174.900 0.566 0.000 1.451 270 G CA -0.507 44.767 45.100 0.290 0.000 1.059 270 G HN -0.030 nan 8.290 nan 0.000 0.550 271 L N -0.027 121.631 121.223 0.725 0.000 2.265 271 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 271 L C -1.128 176.018 176.870 0.460 0.000 1.058 271 L CA -1.005 54.145 54.840 0.516 0.000 0.809 271 L CB 0.498 42.767 42.059 0.349 0.000 1.179 271 L HN 0.404 nan 8.230 nan 0.000 0.429 272 W N 6.220 127.610 121.300 0.149 0.000 2.376 272 W HA 0.573 5.233 4.660 -0.000 0.000 0.322 272 W C -0.344 176.193 176.519 0.030 0.000 1.160 272 W CA -0.486 56.890 57.345 0.053 0.000 1.218 272 W CB 0.811 30.233 29.460 -0.063 0.000 1.205 272 W HN 0.283 nan 8.180 nan 0.000 0.559 273 L N 3.003 124.352 121.223 0.210 0.000 2.371 273 L HA 0.648 4.988 4.340 -0.000 0.000 0.262 273 L C -0.083 176.712 176.870 -0.124 0.000 1.006 273 L CA -0.531 54.389 54.840 0.133 0.000 0.818 273 L CB 2.241 44.451 42.059 0.252 0.000 1.354 273 L HN 0.602 nan 8.230 nan 0.000 0.415 274 T N -1.952 112.511 114.554 -0.151 0.000 2.950 274 T HA 0.282 4.632 4.350 -0.000 0.000 0.288 274 T C 1.208 175.597 174.700 -0.519 0.000 1.035 274 T CA 0.195 62.062 62.100 -0.389 0.000 1.028 274 T CB 1.444 70.380 68.868 0.114 0.000 1.109 274 T HN 0.761 nan 8.240 nan 0.000 0.514 275 T N -0.451 113.646 114.554 -0.761 0.000 2.869 275 T HA 0.070 4.420 4.350 -0.000 0.000 0.270 275 T C 0.987 175.132 174.700 -0.924 0.000 1.082 275 T CA 0.725 62.365 62.100 -0.766 0.000 1.123 275 T CB -0.921 67.244 68.868 -1.172 0.000 0.856 275 T HN 1.148 nan 8.240 nan 0.000 0.499 276 S N -0.297 115.143 115.700 -0.433 0.000 3.918 276 S HA -0.147 4.323 4.470 -0.000 0.000 0.653 276 S C 0.005 174.742 174.600 0.229 0.000 1.661 276 S CA 0.026 58.088 58.200 -0.229 0.000 1.805 276 S CB -1.409 61.547 63.200 -0.406 0.000 0.331 276 S HN 0.339 nan 8.310 nan 0.000 1.611 277 F N 2.161 122.204 119.950 0.156 0.000 2.059 277 F HA 0.105 4.632 4.527 -0.000 0.000 0.289 277 F C 2.664 178.676 175.800 0.352 0.000 1.128 277 F CA 2.160 60.398 58.000 0.397 0.000 1.181 277 F CB -1.130 38.126 39.000 0.426 0.000 1.012 277 F HN 0.801 nan 8.300 nan 0.000 0.473 278 T N -1.446 113.132 114.554 0.039 0.000 3.186 278 T HA 0.204 4.554 4.350 -0.000 0.000 0.257 278 T C 0.588 175.153 174.700 -0.224 0.000 1.029 278 T CA 0.245 62.121 62.100 -0.372 0.000 0.916 278 T CB -1.398 67.245 68.868 -0.376 0.000 1.041 278 T HN 0.272 nan 8.240 nan 0.000 0.562 279 T N 0.111 114.681 114.554 0.027 0.000 2.770 279 T HA 0.302 4.652 4.350 -0.000 0.000 0.281 279 T C 0.088 174.896 174.700 0.180 0.000 0.981 279 T CA -0.898 61.278 62.100 0.127 0.000 0.955 279 T CB 0.356 69.337 68.868 0.188 0.000 1.060 279 T HN 0.353 nan 8.240 nan 0.000 0.531 280 N N 0.044 118.905 118.700 0.267 0.000 2.475 280 N HA 0.092 4.832 4.740 -0.000 0.000 0.267 280 N C -0.453 175.409 175.510 0.586 0.000 1.169 280 N CA -0.443 52.771 53.050 0.273 0.000 0.947 280 N CB 0.195 38.804 38.487 0.204 0.000 1.061 280 N HN 0.537 nan 8.380 nan 0.000 0.466 281 Y N 1.087 121.556 120.300 0.282 0.000 2.485 281 Y HA 0.082 4.632 4.550 -0.000 0.000 0.260 281 Y C 0.206 176.359 175.900 0.422 0.000 1.173 281 Y CA -0.807 57.588 58.100 0.492 0.000 1.252 281 Y CB -0.979 37.951 38.460 0.782 0.000 1.123 281 Y HN 0.596 nan 8.280 nan 0.000 0.524 282 D N 0.035 120.622 120.400 0.311 0.000 2.378 282 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 282 D C 1.159 177.619 176.300 0.268 0.000 1.180 282 D CA 0.021 54.111 54.000 0.150 0.000 0.895 282 D CB 1.030 41.849 40.800 0.031 0.000 1.192 282 D HN 0.253 nan 8.370 nan 0.000 0.438 283 E N 0.495 120.829 120.200 0.223 0.000 2.070 283 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 283 E C 1.985 178.655 176.600 0.115 0.000 1.004 283 E CA 1.574 58.094 56.400 0.201 0.000 0.805 283 E CB -0.223 29.559 29.700 0.137 0.000 0.744 283 E HN 0.637 nan 8.360 nan 0.000 0.451 284 A N 0.126 122.990 122.820 0.074 0.000 1.933 284 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 284 A C 2.345 179.941 177.584 0.020 0.000 1.175 284 A CA 2.022 54.073 52.037 0.024 0.000 0.628 284 A CB -0.817 18.186 19.000 0.006 0.000 0.814 284 A HN 0.268 nan 8.150 nan 0.000 0.444 285 T N -0.381 114.225 114.554 0.087 0.000 2.701 285 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 285 T C 1.913 176.691 174.700 0.130 0.000 1.040 285 T CA 1.571 63.736 62.100 0.109 0.000 1.147 285 T CB -0.468 68.544 68.868 0.241 0.000 0.865 285 T HN 0.153 nan 8.240 nan 0.000 0.426 286 V N 2.669 122.715 119.914 0.219 0.000 2.282 286 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 286 V C 2.473 178.560 176.094 -0.012 0.000 1.057 286 V CA 1.683 64.075 62.300 0.153 0.000 1.032 286 V CB -0.698 31.177 31.823 0.087 0.000 0.645 286 V HN 0.444 nan 8.190 nan 0.000 0.447 287 N N 0.658 119.336 118.700 -0.036 0.000 2.104 287 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 287 N C 2.185 177.634 175.510 -0.103 0.000 1.024 287 N CA 1.927 54.930 53.050 -0.078 0.000 0.853 287 N CB -0.643 37.806 38.487 -0.063 0.000 1.008 287 N HN 0.669 nan 8.380 nan 0.000 0.424 288 S N -0.034 115.567 115.700 -0.164 0.000 2.387 288 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 288 S C 1.972 176.377 174.600 -0.325 0.000 1.035 288 S CA 0.968 58.981 58.200 -0.312 0.000 1.014 288 S CB -0.740 62.173 63.200 -0.478 0.000 0.836 288 S HN 0.306 nan 8.310 nan 0.000 0.466 289 F N 1.124 121.064 119.950 -0.018 0.000 2.270 289 F HA 0.319 4.846 4.527 -0.000 0.000 0.295 289 F C 2.298 178.211 175.800 0.189 0.000 1.087 289 F CA 0.482 58.579 58.000 0.163 0.000 1.365 289 F CB -0.269 38.716 39.000 -0.023 0.000 1.056 289 F HN 0.168 nan 8.300 nan 0.000 0.506 290 I N 0.152 120.822 120.570 0.167 0.000 2.163 290 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 290 I C 1.875 178.007 176.117 0.025 0.000 1.081 290 I CA 1.373 62.709 61.300 0.059 0.000 1.353 290 I CB -0.453 37.491 38.000 -0.094 0.000 1.054 290 I HN 0.048 nan 8.210 nan 0.000 0.407 291 D N 1.023 121.401 120.400 -0.037 0.000 2.144 291 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 291 D C 2.171 178.403 176.300 -0.115 0.000 0.984 291 D CA 1.473 55.425 54.000 -0.080 0.000 0.834 291 D CB -0.591 40.144 40.800 -0.109 0.000 0.955 291 D HN 0.402 nan 8.370 nan 0.000 0.465 292 G N 0.521 109.240 108.800 -0.136 0.000 2.432 292 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 292 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 292 G C 1.554 176.271 174.900 -0.305 0.000 1.135 292 G CA 0.497 45.363 45.100 -0.390 0.000 0.767 292 G HN 0.135 nan 8.290 nan 0.000 0.550 293 M N 1.008 120.670 119.600 0.102 0.000 2.099 293 M HA 0.051 4.531 4.480 -0.000 0.000 0.262 293 M C 3.049 179.377 176.300 0.047 0.000 1.067 293 M CA 1.429 56.845 55.300 0.195 0.000 1.124 293 M CB -1.073 31.683 32.600 0.259 0.000 1.353 293 M HN 0.312 nan 8.290 nan 0.000 0.410 294 A N 0.268 123.087 122.820 -0.002 0.000 1.930 294 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 294 A C 1.989 179.542 177.584 -0.052 0.000 1.175 294 A CA 1.508 53.529 52.037 -0.027 0.000 0.627 294 A CB -0.709 18.267 19.000 -0.040 0.000 0.815 294 A HN 0.574 nan 8.150 nan 0.000 0.443 295 E N -0.515 119.628 120.200 -0.096 0.000 2.204 295 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 295 E C 1.470 178.008 176.600 -0.103 0.000 0.990 295 E CA 0.909 57.238 56.400 -0.118 0.000 0.821 295 E CB -0.096 29.495 29.700 -0.182 0.000 0.750 295 E HN 0.533 nan 8.360 nan 0.000 0.477 296 R N 0.587 121.032 120.500 -0.091 0.000 2.466 296 R HA 0.135 4.475 4.340 -0.000 0.000 0.279 296 R C -0.201 176.114 176.300 0.024 0.000 0.976 296 R CA -0.126 55.952 56.100 -0.035 0.000 1.081 296 R CB 0.249 30.534 30.300 -0.024 0.000 1.215 296 R HN 0.041 nan 8.270 nan 0.000 0.546 297 N N 1.053 119.760 118.700 0.012 0.000 2.740 297 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 297 N C -1.030 174.515 175.510 0.058 0.000 1.062 297 N CA 0.921 53.986 53.050 0.026 0.000 0.704 297 N CB -1.129 37.371 38.487 0.021 0.000 0.968 297 N HN 0.317 nan 8.380 nan 0.000 0.547 298 L N 0.802 122.072 121.223 0.079 0.000 2.283 298 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 298 L C -1.959 174.952 176.870 0.068 0.000 1.033 298 L CA -1.588 53.322 54.840 0.118 0.000 0.848 298 L CB 0.995 43.173 42.059 0.200 0.000 1.226 298 L HN -0.260 nan 8.230 nan 0.000 0.429 299 P HA 0.089 nan 4.420 nan 0.000 0.265 299 P C -0.774 176.398 177.300 -0.214 0.000 1.193 299 P CA 0.137 63.199 63.100 -0.063 0.000 0.765 299 P CB 0.924 32.657 31.700 0.055 0.000 0.823 300 L N 3.809 124.791 121.223 -0.401 0.000 2.408 300 L HA 0.336 4.676 4.340 -0.000 0.000 0.268 300 L C 0.261 176.783 176.870 -0.580 0.000 0.986 300 L CA -0.519 54.109 54.840 -0.354 0.000 0.820 300 L CB 1.934 43.953 42.059 -0.066 0.000 1.303 300 L HN 0.533 nan 8.230 nan 0.000 0.411 301 H N 2.050 121.154 119.070 0.056 0.000 2.735 301 H HA 0.282 4.838 4.556 -0.000 0.000 0.250 301 H C -0.541 174.703 175.328 -0.139 0.000 0.948 301 H CA -0.002 56.043 56.048 -0.005 0.000 1.137 301 H CB 1.167 30.980 29.762 0.085 0.000 1.440 301 H HN 0.243 nan 8.280 nan 0.000 0.444 302 V N 1.127 120.954 119.914 -0.144 0.000 2.588 302 V HA 0.242 4.361 4.120 -0.000 0.000 0.304 302 V C -1.449 174.541 176.094 -0.173 0.000 1.042 302 V CA -0.884 61.172 62.300 -0.407 0.000 0.877 302 V CB 2.321 33.381 31.823 -1.272 0.000 0.996 302 V HN 0.110 nan 8.190 nan 0.000 0.425 303 F N 3.688 123.475 119.950 -0.272 0.000 2.467 303 F HA 0.684 5.211 4.527 -0.000 0.000 0.336 303 F C -0.307 175.389 175.800 -0.174 0.000 1.123 303 F CA -0.494 57.393 58.000 -0.188 0.000 0.964 303 F CB 1.366 40.255 39.000 -0.185 0.000 1.136 303 F HN 0.726 nan 8.300 nan 0.000 0.447 304 H N 5.568 124.054 119.070 -0.973 0.000 2.481 304 H HA 0.421 4.977 4.556 -0.000 0.000 0.333 304 H C -1.516 173.267 175.328 -0.909 0.000 1.066 304 H CA -0.644 55.002 56.048 -0.669 0.000 1.209 304 H CB 0.705 30.204 29.762 -0.438 0.000 1.445 304 H HN 0.491 nan 8.280 nan 0.000 0.488 305 F N 4.020 123.434 119.950 -0.894 0.000 2.445 305 F HA 0.138 4.665 4.527 -0.000 0.000 0.359 305 F C 0.870 176.252 175.800 -0.696 0.000 1.101 305 F CA -0.123 57.491 58.000 -0.643 0.000 1.177 305 F CB 0.570 39.379 39.000 -0.318 0.000 1.110 305 F HN 0.663 nan 8.300 nan 0.000 0.522 306 D N 1.316 121.584 120.400 -0.219 0.000 2.469 306 D HA 0.164 4.804 4.640 -0.000 0.000 0.278 306 D C 1.057 177.544 176.300 0.313 0.000 1.231 306 D CA -0.453 53.632 54.000 0.143 0.000 1.075 306 D CB 0.810 41.800 40.800 0.317 0.000 1.121 306 D HN 0.571 nan 8.370 nan 0.000 0.571 307 C N -0.396 118.767 119.300 -0.228 0.000 2.413 307 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 307 C C 2.317 176.773 174.990 -0.891 0.000 1.265 307 C CA 0.190 58.447 59.018 -1.269 0.000 1.752 307 C CB -1.278 25.051 27.740 -2.351 0.000 1.998 307 C HN 0.474 nan 8.230 nan 0.000 0.489 308 F N 1.603 121.505 119.950 -0.079 0.000 2.802 308 F HA -0.014 4.513 4.527 -0.000 0.000 0.302 308 F C 2.106 178.056 175.800 0.251 0.000 1.211 308 F CA 0.209 58.202 58.000 -0.013 0.000 1.431 308 F CB -0.726 38.033 39.000 -0.403 0.000 1.114 308 F HN 0.588 nan 8.300 nan 0.000 0.567 309 W N -0.401 121.171 121.300 0.455 0.000 2.425 309 W HA 0.007 4.667 4.660 -0.000 0.000 0.277 309 W C 0.173 176.807 176.519 0.192 0.000 1.231 309 W CA 0.327 57.885 57.345 0.355 0.000 1.248 309 W CB -0.665 28.661 29.460 -0.223 0.000 1.117 309 W HN -0.023 nan 8.180 nan 0.000 0.568 310 M N 1.352 120.718 119.600 -0.390 0.000 2.613 310 M HA 0.281 4.761 4.480 -0.000 0.000 0.301 310 M C 0.245 176.631 176.300 0.144 0.000 1.205 310 M CA -0.551 54.588 55.300 -0.268 0.000 0.950 310 M CB 1.668 33.939 32.600 -0.549 0.000 1.585 310 M HN -0.376 nan 8.290 nan 0.000 0.490 311 K N 1.103 121.565 120.400 0.103 0.000 2.298 311 K HA 0.428 4.748 4.320 -0.000 0.000 0.280 311 K C -0.309 176.169 176.600 -0.203 0.000 1.032 311 K CA -0.464 55.847 56.287 0.041 0.000 0.958 311 K CB 0.834 33.352 32.500 0.029 0.000 0.978 311 K HN 0.737 nan 8.250 nan 0.000 0.472 312 A N 2.578 125.170 122.820 -0.379 0.000 2.561 312 A HA 0.044 4.364 4.320 -0.000 0.000 0.234 312 A C 0.072 177.071 177.584 -0.976 0.000 1.055 312 A CA 0.241 51.658 52.037 -1.034 0.000 0.756 312 A CB -0.600 17.810 19.000 -0.984 0.000 0.986 312 A HN 0.792 nan 8.150 nan 0.000 0.505 313 F N -1.362 117.956 119.950 -1.053 0.000 2.748 313 F HA -0.249 4.277 4.527 -0.000 0.000 0.370 313 F C 1.280 176.795 175.800 -0.475 0.000 0.620 313 F CA 1.706 59.290 58.000 -0.692 0.000 1.233 313 F CB -1.929 36.811 39.000 -0.433 0.000 1.708 313 F HN 0.744 nan 8.300 nan 0.000 0.298 314 Q N -1.513 118.080 119.800 -0.344 0.000 2.194 314 Q HA 0.059 4.399 4.340 -0.000 0.000 0.214 314 Q C 0.268 176.313 176.000 0.075 0.000 0.838 314 Q CA -0.305 55.453 55.803 -0.076 0.000 0.972 314 Q CB 0.446 29.172 28.738 -0.020 0.000 1.131 314 Q HN 0.307 nan 8.270 nan 0.000 0.498 315 W N 0.425 121.668 121.300 -0.095 0.000 2.112 315 W HA 0.050 4.710 4.660 -0.000 0.000 0.349 315 W C 0.674 177.283 176.519 0.150 0.000 1.289 315 W CA -2.126 55.209 57.345 -0.017 0.000 1.256 315 W CB -0.003 29.447 29.460 -0.017 0.000 1.148 315 W HN 0.004 nan 8.180 nan 0.000 0.590 316 C N 4.327 123.902 119.300 0.458 0.000 2.637 316 C HA -0.147 4.313 4.460 -0.000 0.000 0.403 316 C C 1.449 176.424 174.990 -0.024 0.000 1.361 316 C CA 0.439 59.517 59.018 0.100 0.000 1.339 316 C CB -2.369 25.329 27.740 -0.071 0.000 2.293 316 C HN 0.540 nan 8.230 nan 0.000 0.620 317 D N 1.643 122.028 120.400 -0.025 0.000 2.398 317 D HA 0.022 4.662 4.640 -0.000 0.000 0.210 317 D C 0.837 177.289 176.300 0.254 0.000 1.094 317 D CA -0.303 53.826 54.000 0.215 0.000 0.839 317 D CB -0.428 40.526 40.800 0.257 0.000 0.963 317 D HN 0.512 nan 8.370 nan 0.000 0.506 318 F N -0.256 119.697 119.950 0.006 0.000 2.914 318 F HA -0.210 4.317 4.527 -0.000 0.000 0.304 318 F C 0.056 175.874 175.800 0.030 0.000 0.712 318 F CA 0.537 58.525 58.000 -0.020 0.000 1.211 318 F CB -1.856 37.167 39.000 0.038 0.000 1.515 318 F HN -0.019 nan 8.300 nan 0.000 0.350 319 E N 0.386 120.648 120.200 0.102 0.000 2.174 319 E HA 0.154 4.504 4.350 -0.000 0.000 0.282 319 E C -0.240 176.471 176.600 0.184 0.000 0.992 319 E CA -0.674 55.857 56.400 0.217 0.000 0.803 319 E CB 0.493 30.322 29.700 0.214 0.000 1.090 319 E HN 0.196 nan 8.360 nan 0.000 0.396 320 W N 1.979 123.524 121.300 0.409 0.000 2.257 320 W HA -0.063 4.597 4.660 -0.000 0.000 0.337 320 W C 1.116 177.853 176.519 0.363 0.000 1.321 320 W CA 0.138 57.762 57.345 0.465 0.000 1.267 320 W CB 0.264 29.945 29.460 0.368 0.000 1.187 320 W HN 0.305 nan 8.180 nan 0.000 0.565 321 D N 5.781 126.568 120.400 0.646 0.000 2.426 321 D HA -0.056 4.584 4.640 -0.000 0.000 0.261 321 D C -1.033 175.528 176.300 0.434 0.000 1.245 321 D CA -1.097 53.180 54.000 0.462 0.000 0.917 321 D CB 1.095 42.152 40.800 0.428 0.000 1.123 321 D HN 0.135 nan 8.370 nan 0.000 0.508 322 P HA -0.035 nan 4.420 nan 0.000 0.237 322 P C 1.526 178.910 177.300 0.140 0.000 1.178 322 P CA 0.371 63.605 63.100 0.224 0.000 0.766 322 P CB 0.468 32.271 31.700 0.171 0.000 0.876 323 L N -0.938 120.347 121.223 0.102 0.000 2.168 323 L HA 0.007 4.347 4.340 -0.000 0.000 0.203 323 L C 2.438 179.287 176.870 -0.035 0.000 1.078 323 L CA 1.392 56.252 54.840 0.033 0.000 0.780 323 L CB -1.140 40.931 42.059 0.021 0.000 0.939 323 L HN -0.089 nan 8.230 nan 0.000 0.451 324 T N -0.469 114.018 114.554 -0.112 0.000 2.812 324 T HA -0.037 4.313 4.350 -0.000 0.000 0.264 324 T C 0.124 174.507 174.700 -0.529 0.000 1.042 324 T CA 1.108 62.954 62.100 -0.423 0.000 1.140 324 T CB -0.093 68.319 68.868 -0.761 0.000 0.870 324 T HN -0.003 nan 8.240 nan 0.000 0.445 325 F N 1.369 121.435 119.950 0.194 0.000 2.550 325 F HA 0.359 4.886 4.527 -0.000 0.000 0.348 325 F C -1.941 173.892 175.800 0.055 0.000 1.219 325 F CA -2.794 55.277 58.000 0.118 0.000 1.203 325 F CB 1.244 40.348 39.000 0.172 0.000 1.436 325 F HN -0.061 nan 8.300 nan 0.000 0.541 326 P HA -0.120 nan 4.420 nan 0.000 0.223 326 P C 0.170 177.493 177.300 0.039 0.000 1.151 326 P CA 1.283 64.434 63.100 0.084 0.000 0.787 326 P CB 0.502 32.230 31.700 0.047 0.000 0.788 327 D N -1.145 119.256 120.400 0.002 0.000 2.468 327 D HA 0.208 4.848 4.640 -0.000 0.000 0.272 327 D C -1.924 174.256 176.300 -0.200 0.000 1.221 327 D CA -2.280 51.676 54.000 -0.073 0.000 0.860 327 D CB 0.576 41.344 40.800 -0.053 0.000 1.190 327 D HN -0.173 nan 8.370 nan 0.000 0.509 328 P HA -0.165 nan 4.420 nan 0.000 0.214 328 P C 1.224 178.179 177.300 -0.575 0.000 1.163 328 P CA 0.992 63.580 63.100 -0.853 0.000 0.889 328 P CB 0.389 31.250 31.700 -1.399 0.000 0.790 329 E N -0.751 119.230 120.200 -0.364 0.000 2.110 329 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 329 E C 2.155 178.642 176.600 -0.189 0.000 0.988 329 E CA 1.384 57.638 56.400 -0.244 0.000 0.804 329 E CB -0.859 28.748 29.700 -0.156 0.000 0.745 329 E HN 0.176 nan 8.360 nan 0.000 0.458 330 G N 0.952 109.656 108.800 -0.159 0.000 2.421 330 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 330 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 330 G C 1.526 176.359 174.900 -0.112 0.000 1.143 330 G CA 0.696 45.727 45.100 -0.114 0.000 0.784 330 G HN 0.310 nan 8.290 nan 0.000 0.541 331 M N 0.174 119.689 119.600 -0.141 0.000 2.132 331 M HA 0.050 4.530 4.480 -0.000 0.000 0.263 331 M C 2.378 178.618 176.300 -0.100 0.000 1.065 331 M CA 1.425 56.669 55.300 -0.094 0.000 1.122 331 M CB -0.264 32.290 32.600 -0.077 0.000 1.365 331 M HN 0.183 nan 8.290 nan 0.000 0.411 332 I N 0.138 120.597 120.570 -0.185 0.000 2.163 332 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 332 I C 2.754 178.808 176.117 -0.105 0.000 1.085 332 I CA 1.814 63.028 61.300 -0.142 0.000 1.347 332 I CB -0.755 37.121 38.000 -0.207 0.000 1.044 332 I HN 0.456 nan 8.210 nan 0.000 0.408 333 R N 1.509 121.941 120.500 -0.114 0.000 2.094 333 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 333 R C 2.462 178.713 176.300 -0.081 0.000 1.137 333 R CA 1.772 57.814 56.100 -0.096 0.000 0.943 333 R CB -0.246 29.999 30.300 -0.091 0.000 0.850 333 R HN 0.243 nan 8.270 nan 0.000 0.433 334 R N 0.153 120.610 120.500 -0.072 0.000 2.127 334 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 334 R C 2.372 178.632 176.300 -0.066 0.000 1.134 334 R CA 1.582 57.645 56.100 -0.062 0.000 0.975 334 R CB -0.241 30.029 30.300 -0.050 0.000 0.865 334 R HN 0.330 nan 8.270 nan 0.000 0.447 335 L N -0.054 121.130 121.223 -0.064 0.000 2.068 335 L HA -0.094 4.246 4.340 -0.000 0.000 0.204 335 L C 2.349 179.166 176.870 -0.088 0.000 1.076 335 L CA 1.027 55.821 54.840 -0.077 0.000 0.753 335 L CB -0.284 41.745 42.059 -0.051 0.000 0.910 335 L HN 0.026 nan 8.230 nan 0.000 0.439 336 K N 0.629 120.977 120.400 -0.088 0.000 2.074 336 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 336 K C 1.992 178.530 176.600 -0.104 0.000 1.048 336 K CA 1.566 57.786 56.287 -0.111 0.000 0.926 336 K CB -0.276 32.152 32.500 -0.120 0.000 0.713 336 K HN 0.282 nan 8.250 nan 0.000 0.444 337 A N 0.517 123.283 122.820 -0.089 0.000 2.178 337 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 337 A C 1.355 178.894 177.584 -0.075 0.000 1.157 337 A CA 1.406 53.396 52.037 -0.079 0.000 0.689 337 A CB -0.308 18.650 19.000 -0.070 0.000 0.787 337 A HN 0.275 nan 8.150 nan 0.000 0.465 338 K N -0.927 119.425 120.400 -0.080 0.000 2.458 338 K HA 0.260 4.580 4.320 -0.000 0.000 0.194 338 K C 0.737 177.292 176.600 -0.075 0.000 1.024 338 K CA 0.390 56.631 56.287 -0.076 0.000 1.108 338 K CB -0.079 32.371 32.500 -0.084 0.000 0.846 338 K HN 0.598 nan 8.250 nan 0.000 0.518 339 G N 1.806 110.557 108.800 -0.082 0.000 2.291 339 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.271 339 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.271 339 G C -0.408 174.438 174.900 -0.089 0.000 1.099 339 G CA -0.311 44.743 45.100 -0.077 0.000 0.919 339 G HN 0.163 nan 8.290 nan 0.000 0.496 340 L N -0.242 120.908 121.223 -0.122 0.000 2.362 340 L HA 0.583 4.923 4.340 -0.000 0.000 0.271 340 L C 0.419 177.146 176.870 -0.238 0.000 1.002 340 L CA -1.297 53.457 54.840 -0.144 0.000 0.818 340 L CB 1.712 43.711 42.059 -0.100 0.000 1.298 340 L HN -0.084 nan 8.230 nan 0.000 0.420 341 K N 2.516 122.705 120.400 -0.352 0.000 2.154 341 K HA 0.570 4.890 4.320 -0.000 0.000 0.264 341 K C -0.767 175.618 176.600 -0.359 0.000 1.008 341 K CA -0.415 55.548 56.287 -0.540 0.000 0.937 341 K CB 1.810 33.681 32.500 -1.047 0.000 1.002 341 K HN 0.364 nan 8.250 nan 0.000 0.469 342 I N 0.866 121.241 120.570 -0.325 0.000 2.436 342 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 342 I C -0.437 175.551 176.117 -0.215 0.000 1.010 342 I CA -0.538 60.662 61.300 -0.167 0.000 1.098 342 I CB 1.773 39.743 38.000 -0.051 0.000 1.266 342 I HN 0.481 nan 8.210 nan 0.000 0.434 343 C N 7.251 126.461 119.300 -0.149 0.000 2.493 343 C HA 0.902 5.362 4.460 -0.000 0.000 0.326 343 C C -0.304 174.648 174.990 -0.063 0.000 1.200 343 C CA -0.311 58.644 59.018 -0.104 0.000 1.739 343 C CB 0.971 28.741 27.740 0.049 0.000 2.300 343 C HN 0.661 nan 8.230 nan 0.000 0.500 344 V N 2.507 122.379 119.914 -0.070 0.000 2.962 344 V HA 0.679 4.799 4.120 -0.000 0.000 0.313 344 V C -0.852 175.429 176.094 0.313 0.000 1.099 344 V CA -0.914 61.342 62.300 -0.073 0.000 0.971 344 V CB 1.454 33.007 31.823 -0.450 0.000 1.028 344 V HN 1.090 nan 8.190 nan 0.000 0.430 345 W N 5.362 126.793 121.300 0.217 0.000 2.266 345 W HA 0.702 5.361 4.660 -0.000 0.000 0.317 345 W C -0.244 176.500 176.519 0.374 0.000 1.310 345 W CA 0.022 57.566 57.345 0.331 0.000 1.207 345 W CB 0.751 30.337 29.460 0.210 0.000 1.199 345 W HN 0.879 nan 8.180 nan 0.000 0.544 346 I N 3.313 123.635 120.570 -0.412 0.000 3.279 346 I HA 0.639 4.809 4.170 -0.000 0.000 0.315 346 I C -1.082 174.365 176.117 -1.116 0.000 1.187 346 I CA -1.297 59.640 61.300 -0.604 0.000 0.953 346 I CB 2.288 40.242 38.000 -0.078 0.000 1.279 346 I HN 0.690 nan 8.210 nan 0.000 0.465 347 N N 0.572 118.877 118.700 -0.659 0.000 3.046 347 N HA 0.487 5.227 4.740 -0.000 0.000 0.243 347 N C -2.846 172.559 175.510 -0.176 0.000 1.452 347 N CA -1.383 51.426 53.050 -0.402 0.000 0.882 347 N CB 2.530 40.707 38.487 -0.517 0.000 1.425 347 N HN 0.401 nan 8.380 nan 0.000 0.517 348 P HA 0.253 nan 4.420 nan 0.000 0.259 348 P C -1.273 176.160 177.300 0.222 0.000 1.530 348 P CA 0.223 63.196 63.100 -0.211 0.000 1.022 348 P CB -0.346 30.980 31.700 -0.623 0.000 1.514 349 Y N -0.052 120.447 120.300 0.332 0.000 2.598 349 Y HA 0.627 5.177 4.550 -0.000 0.000 0.340 349 Y C 0.324 176.401 175.900 0.297 0.000 1.038 349 Y CA -2.425 55.828 58.100 0.255 0.000 1.100 349 Y CB 1.544 40.166 38.460 0.270 0.000 1.281 349 Y HN -0.234 nan 8.280 nan 0.000 0.488 350 I N 0.739 121.508 120.570 0.332 0.000 2.607 350 I HA 0.649 4.819 4.170 -0.000 0.000 0.290 350 I C -0.150 176.151 176.117 0.306 0.000 1.129 350 I CA -0.583 60.887 61.300 0.283 0.000 1.042 350 I CB 1.622 39.686 38.000 0.105 0.000 1.242 350 I HN 0.772 nan 8.210 nan 0.000 0.421 351 G N 4.497 113.427 108.800 0.217 0.000 2.442 351 G HA2 0.086 4.046 3.960 -0.000 0.000 0.249 351 G HA3 0.086 4.046 3.960 -0.000 0.000 0.249 351 G C 0.361 175.209 174.900 -0.087 0.000 1.263 351 G CA -0.198 44.934 45.100 0.052 0.000 0.846 351 G HN 0.860 nan 8.290 nan 0.000 0.555 352 Q N 1.349 120.871 119.800 -0.463 0.000 2.181 352 Q HA -0.178 4.162 4.340 -0.000 0.000 0.205 352 Q C 2.225 177.892 176.000 -0.555 0.000 0.980 352 Q CA 1.699 56.837 55.803 -1.108 0.000 0.862 352 Q CB -0.075 28.061 28.738 -1.003 0.000 0.905 352 Q HN 0.714 nan 8.270 nan 0.000 0.429 353 K N 0.387 120.612 120.400 -0.291 0.000 2.211 353 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 353 K C 0.605 177.171 176.600 -0.057 0.000 1.047 353 K CA 0.753 56.946 56.287 -0.157 0.000 0.935 353 K CB -0.130 32.313 32.500 -0.096 0.000 0.728 353 K HN 0.072 nan 8.250 nan 0.000 0.452 354 S N 1.011 116.707 115.700 -0.006 0.000 2.549 354 S HA 0.069 4.538 4.470 -0.000 0.000 0.286 354 S C -1.859 172.814 174.600 0.122 0.000 1.314 354 S CA -1.368 56.885 58.200 0.088 0.000 1.062 354 S CB 0.953 64.250 63.200 0.161 0.000 0.865 354 S HN 0.075 nan 8.310 nan 0.000 0.498 355 P HA -0.093 nan 4.420 nan 0.000 0.218 355 P C 1.262 178.664 177.300 0.170 0.000 1.146 355 P CA 0.666 63.844 63.100 0.129 0.000 0.813 355 P CB 0.047 31.821 31.700 0.122 0.000 0.778 356 V N -1.549 118.496 119.914 0.219 0.000 2.667 356 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 356 V C 2.029 178.218 176.094 0.159 0.000 1.065 356 V CA 1.168 63.618 62.300 0.250 0.000 1.083 356 V CB -1.232 30.826 31.823 0.391 0.000 0.692 356 V HN 0.037 nan 8.190 nan 0.000 0.468 357 F N 1.529 121.489 119.950 0.017 0.000 2.095 357 F HA -0.230 4.296 4.527 -0.000 0.000 0.298 357 F C 2.470 178.227 175.800 -0.072 0.000 1.104 357 F CA 2.366 60.335 58.000 -0.052 0.000 1.232 357 F CB -0.247 38.728 39.000 -0.041 0.000 0.987 357 F HN -0.002 nan 8.300 nan 0.000 0.475 358 K N 0.410 120.956 120.400 0.243 0.000 2.044 358 K HA -0.318 4.002 4.320 -0.000 0.000 0.210 358 K C 2.281 178.859 176.600 -0.036 0.000 1.049 358 K CA 2.101 58.448 56.287 0.099 0.000 0.927 358 K CB -0.502 32.057 32.500 0.098 0.000 0.713 358 K HN 0.518 nan 8.250 nan 0.000 0.443 359 E N 0.534 120.718 120.200 -0.027 0.000 2.049 359 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 359 E C 2.107 178.546 176.600 -0.269 0.000 1.007 359 E CA 1.552 57.899 56.400 -0.089 0.000 0.809 359 E CB -0.134 29.576 29.700 0.017 0.000 0.749 359 E HN 0.359 nan 8.360 nan 0.000 0.450 360 L N 0.527 121.540 121.223 -0.350 0.000 2.046 360 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 360 L C 2.982 179.572 176.870 -0.466 0.000 1.077 360 L CA 1.618 56.147 54.840 -0.517 0.000 0.747 360 L CB -0.498 41.236 42.059 -0.542 0.000 0.896 360 L HN 0.324 nan 8.230 nan 0.000 0.432 361 Q N 0.333 119.876 119.800 -0.428 0.000 2.084 361 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 361 Q C 1.996 177.862 176.000 -0.223 0.000 0.978 361 Q CA 1.662 57.265 55.803 -0.334 0.000 0.844 361 Q CB 0.062 28.633 28.738 -0.278 0.000 0.898 361 Q HN 0.527 nan 8.270 nan 0.000 0.426 362 E N 0.263 120.343 120.200 -0.200 0.000 2.106 362 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 362 E C 1.886 178.363 176.600 -0.204 0.000 0.984 362 E CA 1.003 57.312 56.400 -0.152 0.000 0.806 362 E CB 0.091 29.727 29.700 -0.107 0.000 0.750 362 E HN 0.306 nan 8.360 nan 0.000 0.458 363 K N -0.438 119.742 120.400 -0.367 0.000 2.366 363 K HA 0.011 4.331 4.320 -0.000 0.000 0.198 363 K C 0.982 177.333 176.600 -0.415 0.000 1.044 363 K CA 0.544 56.513 56.287 -0.530 0.000 0.973 363 K CB 0.346 32.161 32.500 -1.142 0.000 0.767 363 K HN 0.235 nan 8.250 nan 0.000 0.475 364 G N 0.915 109.547 108.800 -0.280 0.000 2.171 364 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.238 364 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.238 364 G C 0.111 175.097 174.900 0.143 0.000 1.039 364 G CA -0.165 44.910 45.100 -0.041 0.000 0.759 364 G HN 0.224 nan 8.290 nan 0.000 0.501 365 Y N -0.483 119.732 120.300 -0.142 0.000 2.490 365 Y HA 0.418 4.968 4.550 -0.000 0.000 0.281 365 Y C 1.762 177.573 175.900 -0.148 0.000 1.174 365 Y CA -0.556 57.462 58.100 -0.137 0.000 1.295 365 Y CB 0.067 38.408 38.460 -0.198 0.000 1.062 365 Y HN 0.334 nan 8.280 nan 0.000 0.522 366 L N 0.349 121.539 121.223 -0.054 0.000 2.334 366 L HA 0.292 4.632 4.340 -0.000 0.000 0.275 366 L C -0.235 176.569 176.870 -0.109 0.000 1.036 366 L CA -1.262 53.482 54.840 -0.161 0.000 0.807 366 L CB 1.304 43.178 42.059 -0.309 0.000 1.231 366 L HN -0.159 nan 8.230 nan 0.000 0.438 367 L N 3.275 124.405 121.223 -0.155 0.000 2.559 367 L HA 0.042 4.382 4.340 -0.000 0.000 0.274 367 L C -0.161 176.614 176.870 -0.159 0.000 1.205 367 L CA 0.802 55.490 54.840 -0.253 0.000 0.907 367 L CB -0.146 41.634 42.059 -0.466 0.000 1.153 367 L HN 0.463 nan 8.230 nan 0.000 0.490 368 K N 5.200 125.504 120.400 -0.160 0.000 2.156 368 K HA 0.516 4.836 4.320 -0.000 0.000 0.250 368 K C -0.238 176.314 176.600 -0.080 0.000 0.955 368 K CA -0.838 55.403 56.287 -0.076 0.000 0.855 368 K CB 1.369 33.844 32.500 -0.042 0.000 1.101 368 K HN 0.553 nan 8.250 nan 0.000 0.434 369 R N 1.318 121.818 120.500 -0.001 0.000 2.707 369 R HA 0.055 4.395 4.340 -0.000 0.000 0.270 369 R C -1.753 174.544 176.300 -0.006 0.000 1.083 369 R CA -1.582 54.528 56.100 0.016 0.000 1.182 369 R CB -0.098 30.231 30.300 0.049 0.000 1.084 369 R HN 0.365 nan 8.270 nan 0.000 0.528 370 P HA -0.164 nan 4.420 nan 0.000 0.219 370 P C 0.273 177.577 177.300 0.006 0.000 1.146 370 P CA 1.266 64.369 63.100 0.005 0.000 0.808 370 P CB 0.063 31.773 31.700 0.016 0.000 0.779 371 D N -1.821 118.584 120.400 0.008 0.000 2.363 371 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 371 D C 1.512 177.813 176.300 0.002 0.000 0.994 371 D CA 0.944 54.948 54.000 0.005 0.000 0.890 371 D CB -0.952 39.852 40.800 0.006 0.000 0.906 371 D HN 0.242 nan 8.370 nan 0.000 0.530 372 G N -0.117 108.683 108.800 -0.001 0.000 2.213 372 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.236 372 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.236 372 G C 0.465 175.361 174.900 -0.006 0.000 0.991 372 G CA 0.341 45.439 45.100 -0.003 0.000 0.629 372 G HN 0.827 nan 8.290 nan 0.000 0.517 373 S N 0.531 116.228 115.700 -0.004 0.000 2.589 373 S HA 0.637 5.107 4.470 -0.000 0.000 0.265 373 S C 0.668 175.264 174.600 -0.006 0.000 1.342 373 S CA -0.605 57.591 58.200 -0.007 0.000 1.005 373 S CB 1.192 64.386 63.200 -0.010 0.000 0.909 373 S HN 0.684 nan 8.310 nan 0.000 0.555 374 L N 1.139 122.357 121.223 -0.009 0.000 2.416 374 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 374 L C 0.260 177.140 176.870 0.018 0.000 1.161 374 L CA -0.530 54.309 54.840 -0.002 0.000 0.845 374 L CB 0.179 42.240 42.059 0.003 0.000 1.119 374 L HN 0.831 nan 8.230 nan 0.000 0.464 375 W N 4.778 125.998 121.300 -0.133 0.000 2.308 375 W HA 0.187 4.847 4.660 -0.000 0.000 0.324 375 W C -0.259 176.187 176.519 -0.122 0.000 1.387 375 W CA 0.111 57.364 57.345 -0.153 0.000 1.250 375 W CB 0.334 29.647 29.460 -0.245 0.000 1.257 375 W HN 0.456 nan 8.180 nan 0.000 0.554 376 Q N 5.445 124.758 119.800 -0.812 0.000 2.456 376 Q HA 0.422 4.762 4.340 -0.000 0.000 0.284 376 Q C -0.958 174.470 176.000 -0.953 0.000 1.061 376 Q CA -0.912 54.475 55.803 -0.693 0.000 0.799 376 Q CB 2.537 31.136 28.738 -0.232 0.000 1.445 376 Q HN 0.567 nan 8.270 nan 0.000 0.411 377 W N 0.103 120.969 121.300 -0.724 0.000 2.940 377 W HA 0.501 5.161 4.660 -0.000 0.000 0.394 377 W C -1.118 175.278 176.519 -0.205 0.000 1.155 377 W CA -0.847 56.234 57.345 -0.440 0.000 1.165 377 W CB -0.111 29.114 29.460 -0.392 0.000 1.492 377 W HN 0.506 nan 8.180 nan 0.000 0.593 378 D N 0.273 120.664 120.400 -0.015 0.000 2.398 378 D HA 0.109 4.749 4.640 -0.000 0.000 0.210 378 D C -0.190 175.984 176.300 -0.210 0.000 1.094 378 D CA 0.128 54.061 54.000 -0.112 0.000 0.839 378 D CB 0.625 41.349 40.800 -0.128 0.000 0.963 378 D HN 0.153 nan 8.370 nan 0.000 0.506 379 K N 0.463 120.523 120.400 -0.566 0.000 2.326 379 K HA 0.018 4.338 4.320 -0.000 0.000 0.275 379 K C 0.658 177.345 176.600 0.146 0.000 1.018 379 K CA -0.329 55.718 56.287 -0.400 0.000 0.962 379 K CB 1.625 33.559 32.500 -0.942 0.000 0.953 379 K HN 0.119 nan 8.250 nan 0.000 0.475 380 W N 0.354 121.696 121.300 0.070 0.000 0.649 380 W HA -0.365 4.295 4.660 -0.000 0.000 0.221 380 W C -0.793 175.814 176.519 0.146 0.000 1.002 380 W CA 1.557 59.020 57.345 0.197 0.000 0.879 380 W CB -0.525 29.089 29.460 0.257 0.000 1.806 380 W HN 0.570 nan 8.180 nan 0.000 0.496 381 Q N 0.626 120.459 119.800 0.055 0.000 2.413 381 Q HA 0.451 4.791 4.340 -0.000 0.000 0.276 381 Q C -2.349 173.630 176.000 -0.035 0.000 1.099 381 Q CA -1.821 53.928 55.803 -0.090 0.000 0.814 381 Q CB 1.326 30.022 28.738 -0.069 0.000 1.379 381 Q HN -0.096 nan 8.270 nan 0.000 0.436 382 P HA 0.078 nan 4.420 nan 0.000 0.271 382 P C 0.405 177.602 177.300 -0.172 0.000 1.220 382 P CA 0.626 63.603 63.100 -0.205 0.000 0.768 382 P CB 0.295 31.764 31.700 -0.385 0.000 0.848 383 G N 2.951 111.670 108.800 -0.135 0.000 2.283 383 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.280 383 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.280 383 G C 0.046 174.920 174.900 -0.044 0.000 1.029 383 G CA -0.210 44.800 45.100 -0.149 0.000 0.840 383 G HN 0.611 nan 8.290 nan 0.000 0.505 384 L N 0.124 121.400 121.223 0.088 0.000 2.601 384 L HA 0.465 4.805 4.340 -0.000 0.000 0.277 384 L C 0.800 177.802 176.870 0.221 0.000 1.219 384 L CA 0.599 55.571 54.840 0.220 0.000 0.915 384 L CB 0.343 42.620 42.059 0.364 0.000 1.160 384 L HN 0.582 nan 8.230 nan 0.000 0.494 385 A N 6.410 129.408 122.820 0.296 0.000 2.313 385 A HA 0.795 5.115 4.320 -0.000 0.000 0.323 385 A C -0.730 176.921 177.584 0.111 0.000 1.133 385 A CA -0.750 51.410 52.037 0.204 0.000 0.847 385 A CB 1.065 20.126 19.000 0.102 0.000 1.308 385 A HN 0.693 nan 8.150 nan 0.000 0.475 386 I N 0.463 121.043 120.570 0.017 0.000 2.433 386 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 386 I C -1.216 174.830 176.117 -0.117 0.000 1.001 386 I CA -0.444 60.853 61.300 -0.006 0.000 1.119 386 I CB 1.481 39.388 38.000 -0.155 0.000 1.289 386 I HN 0.620 nan 8.210 nan 0.000 0.438 387 Y N 3.670 123.902 120.300 -0.114 0.000 2.569 387 Y HA -0.028 4.522 4.550 -0.000 0.000 0.332 387 Y C 0.769 176.427 175.900 -0.403 0.000 1.120 387 Y CA 0.074 57.980 58.100 -0.323 0.000 1.416 387 Y CB 0.144 38.286 38.460 -0.529 0.000 1.210 387 Y HN 0.439 nan 8.280 nan 0.000 0.528 388 D N 4.590 124.972 120.400 -0.029 0.000 2.453 388 D HA 0.044 4.684 4.640 -0.000 0.000 0.223 388 D C -0.074 176.346 176.300 0.199 0.000 1.183 388 D CA 0.035 54.144 54.000 0.182 0.000 0.933 388 D CB -0.278 40.624 40.800 0.171 0.000 1.038 388 D HN 0.543 nan 8.370 nan 0.000 0.513 389 F N 1.155 121.268 119.950 0.272 0.000 2.804 389 F HA -0.035 4.492 4.527 -0.000 0.000 0.303 389 F C 2.318 178.126 175.800 0.013 0.000 1.154 389 F CA 0.068 58.065 58.000 -0.004 0.000 1.401 389 F CB 0.279 39.124 39.000 -0.259 0.000 1.106 389 F HN 0.316 nan 8.300 nan 0.000 0.568 390 T N -3.560 111.183 114.554 0.316 0.000 3.100 390 T HA -0.040 4.310 4.350 -0.000 0.000 0.253 390 T C 0.724 175.531 174.700 0.178 0.000 1.118 390 T CA -0.066 62.191 62.100 0.263 0.000 1.058 390 T CB -0.263 68.829 68.868 0.373 0.000 0.953 390 T HN -0.006 nan 8.240 nan 0.000 0.515 391 N N 2.548 121.228 118.700 -0.033 0.000 2.420 391 N HA 0.273 5.013 4.740 -0.000 0.000 0.249 391 N C -2.069 173.226 175.510 -0.359 0.000 1.033 391 N CA -2.431 50.263 53.050 -0.593 0.000 0.944 391 N CB 1.914 40.008 38.487 -0.655 0.000 1.113 391 N HN -0.036 nan 8.380 nan 0.000 0.502 392 P HA -0.095 nan 4.420 nan 0.000 0.216 392 P C 0.401 177.586 177.300 -0.191 0.000 1.150 392 P CA 1.158 64.162 63.100 -0.160 0.000 0.837 392 P CB 0.471 32.123 31.700 -0.079 0.000 0.786 393 D N -0.761 119.468 120.400 -0.285 0.000 2.183 393 D HA -0.051 4.589 4.640 -0.000 0.000 0.203 393 D C 2.005 177.916 176.300 -0.648 0.000 0.969 393 D CA 1.303 55.124 54.000 -0.299 0.000 0.842 393 D CB -0.628 40.095 40.800 -0.129 0.000 0.957 393 D HN 0.084 nan 8.370 nan 0.000 0.484 394 A N 0.429 122.709 122.820 -0.900 0.000 1.898 394 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 394 A C 2.510 180.058 177.584 -0.061 0.000 1.181 394 A CA 1.027 52.617 52.037 -0.744 0.000 0.620 394 A CB -0.895 17.858 19.000 -0.412 0.000 0.819 394 A HN 0.315 nan 8.150 nan 0.000 0.442 395 C N -0.626 118.659 119.300 -0.024 0.000 2.413 395 C HA -0.101 4.359 4.460 -0.000 0.000 0.276 395 C C 2.723 177.725 174.990 0.019 0.000 1.236 395 C CA 1.501 60.536 59.018 0.028 0.000 1.735 395 C CB -1.002 26.696 27.740 -0.070 0.000 2.031 395 C HN 0.766 nan 8.230 nan 0.000 0.474 396 K N -0.665 119.723 120.400 -0.019 0.000 2.026 396 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 396 K C 1.988 178.618 176.600 0.049 0.000 1.048 396 K CA 1.818 58.102 56.287 -0.005 0.000 0.929 396 K CB -0.442 32.053 32.500 -0.009 0.000 0.713 396 K HN 0.638 nan 8.250 nan 0.000 0.439 397 W N 0.496 121.757 121.300 -0.066 0.000 2.318 397 W HA -0.319 4.341 4.660 -0.000 0.000 0.313 397 W C 1.964 178.481 176.519 -0.005 0.000 1.221 397 W CA 2.188 59.548 57.345 0.025 0.000 1.266 397 W CB -0.446 29.096 29.460 0.136 0.000 1.150 397 W HN 0.237 nan 8.180 nan 0.000 0.496 398 Y N 0.354 120.787 120.300 0.222 0.000 2.163 398 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 398 Y C 2.414 178.111 175.900 -0.338 0.000 1.136 398 Y CA 2.520 60.611 58.100 -0.017 0.000 1.147 398 Y CB -0.873 37.657 38.460 0.117 0.000 0.987 398 Y HN -0.020 nan 8.280 nan 0.000 0.509 399 A N 0.066 122.869 122.820 -0.029 0.000 1.908 399 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 399 A C 1.835 179.265 177.584 -0.257 0.000 1.181 399 A CA 2.131 54.081 52.037 -0.146 0.000 0.627 399 A CB -0.765 18.169 19.000 -0.110 0.000 0.818 399 A HN 0.528 nan 8.150 nan 0.000 0.445 400 D N -0.315 119.914 120.400 -0.285 0.000 2.149 400 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 400 D C 1.881 177.924 176.300 -0.428 0.000 0.972 400 D CA 0.863 54.680 54.000 -0.305 0.000 0.835 400 D CB -0.157 40.476 40.800 -0.278 0.000 0.966 400 D HN 0.223 nan 8.370 nan 0.000 0.476 401 K N 0.696 120.683 120.400 -0.689 0.000 2.032 401 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 401 K C 2.379 178.562 176.600 -0.694 0.000 1.048 401 K CA 0.454 56.222 56.287 -0.865 0.000 0.927 401 K CB -0.699 30.841 32.500 -1.600 0.000 0.712 401 K HN 0.262 nan 8.250 nan 0.000 0.441 402 L N 0.932 121.728 121.223 -0.711 0.000 2.017 402 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 402 L C 2.473 179.272 176.870 -0.117 0.000 1.073 402 L CA 1.400 55.990 54.840 -0.417 0.000 0.745 402 L CB -0.442 41.321 42.059 -0.494 0.000 0.894 402 L HN 0.175 nan 8.230 nan 0.000 0.432 403 K N 0.097 120.399 120.400 -0.162 0.000 2.113 403 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 403 K C 2.113 178.667 176.600 -0.076 0.000 1.047 403 K CA 1.402 57.633 56.287 -0.095 0.000 0.928 403 K CB -0.509 31.922 32.500 -0.114 0.000 0.716 403 K HN 0.435 nan 8.250 nan 0.000 0.446 404 G N 0.989 109.722 108.800 -0.111 0.000 2.422 404 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 404 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 404 G C 1.444 176.338 174.900 -0.010 0.000 1.140 404 G CA 0.467 45.526 45.100 -0.067 0.000 0.775 404 G HN 0.098 nan 8.290 nan 0.000 0.545 405 L N 0.203 121.439 121.223 0.021 0.000 2.072 405 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 405 L C 2.966 179.844 176.870 0.014 0.000 1.079 405 L CA 0.299 55.183 54.840 0.073 0.000 0.752 405 L CB -0.388 41.768 42.059 0.162 0.000 0.906 405 L HN 0.065 nan 8.230 nan 0.000 0.436 406 V N 0.241 120.169 119.914 0.024 0.000 2.332 406 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 406 V C 2.721 178.776 176.094 -0.065 0.000 1.055 406 V CA 1.825 64.096 62.300 -0.048 0.000 1.038 406 V CB -0.983 30.824 31.823 -0.027 0.000 0.651 406 V HN 0.500 nan 8.190 nan 0.000 0.450 407 A N -1.051 121.740 122.820 -0.048 0.000 2.070 407 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 407 A C 2.161 179.708 177.584 -0.061 0.000 1.159 407 A CA 1.961 53.965 52.037 -0.054 0.000 0.656 407 A CB -0.471 18.500 19.000 -0.047 0.000 0.800 407 A HN 0.532 nan 8.150 nan 0.000 0.453 408 M N -1.591 117.973 119.600 -0.060 0.000 2.428 408 M HA 0.253 4.733 4.480 -0.000 0.000 0.239 408 M C 1.074 177.309 176.300 -0.109 0.000 1.121 408 M CA 0.944 56.196 55.300 -0.079 0.000 1.019 408 M CB 0.381 32.950 32.600 -0.052 0.000 1.485 408 M HN 0.572 nan 8.290 nan 0.000 0.484 409 G N 0.469 109.202 108.800 -0.112 0.000 2.184 409 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.206 409 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.206 409 G C -0.085 174.713 174.900 -0.169 0.000 0.995 409 G CA -0.031 44.986 45.100 -0.138 0.000 0.651 409 G HN 0.288 nan 8.290 nan 0.000 0.511 410 V N 1.690 121.499 119.914 -0.175 0.000 2.673 410 V HA 0.245 4.365 4.120 -0.000 0.000 0.303 410 V C 1.042 176.948 176.094 -0.314 0.000 1.046 410 V CA 1.083 63.226 62.300 -0.262 0.000 1.126 410 V CB 1.318 32.954 31.823 -0.312 0.000 0.934 410 V HN 0.321 nan 8.190 nan 0.000 0.487 411 D N 1.569 121.757 120.400 -0.353 0.000 2.422 411 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 411 D C 0.380 176.534 176.300 -0.244 0.000 1.047 411 D CA 0.785 54.615 54.000 -0.283 0.000 0.885 411 D CB 0.878 41.465 40.800 -0.354 0.000 1.035 411 D HN 0.775 nan 8.370 nan 0.000 0.502 412 C N -1.464 117.585 119.300 -0.419 0.000 3.293 412 C HA 0.777 5.237 4.460 -0.000 0.000 0.362 412 C C -1.639 172.941 174.990 -0.683 0.000 1.539 412 C CA -1.316 57.485 59.018 -0.362 0.000 1.201 412 C CB 0.845 28.625 27.740 0.068 0.000 1.770 412 C HN -0.013 nan 8.230 nan 0.000 0.440 413 F N 0.422 120.401 119.950 0.050 0.000 2.581 413 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 413 F C -0.016 175.782 175.800 -0.005 0.000 1.113 413 F CA -0.616 57.398 58.000 0.024 0.000 0.935 413 F CB 1.772 40.771 39.000 -0.001 0.000 1.232 413 F HN 0.756 nan 8.300 nan 0.000 0.445 414 K N 2.225 122.724 120.400 0.166 0.000 2.250 414 K HA 0.184 4.504 4.320 -0.000 0.000 0.285 414 K C -0.158 176.371 176.600 -0.118 0.000 1.097 414 K CA -0.235 56.024 56.287 -0.047 0.000 0.913 414 K CB 0.394 32.776 32.500 -0.198 0.000 1.179 414 K HN 0.748 nan 8.250 nan 0.000 0.462 415 T N 1.282 115.763 114.554 -0.121 0.000 3.462 415 T HA 0.040 4.390 4.350 -0.000 0.000 0.257 415 T C 0.075 174.707 174.700 -0.113 0.000 1.015 415 T CA -0.732 61.254 62.100 -0.191 0.000 1.135 415 T CB -0.000 68.571 68.868 -0.495 0.000 1.061 415 T HN 0.402 nan 8.240 nan 0.000 0.772 416 D N 1.163 121.475 120.400 -0.147 0.000 2.387 416 D HA 0.480 5.120 4.640 -0.000 0.000 0.251 416 D C 0.728 177.129 176.300 0.170 0.000 1.141 416 D CA -0.926 53.024 54.000 -0.083 0.000 0.987 416 D CB 0.267 40.996 40.800 -0.118 0.000 1.116 416 D HN 0.383 nan 8.370 nan 0.000 0.491 417 F N -0.422 119.481 119.950 -0.077 0.000 2.120 417 F HA -0.189 4.338 4.527 -0.000 0.000 0.303 417 F C 1.848 177.701 175.800 0.088 0.000 0.129 417 F CA 1.563 59.546 58.000 -0.029 0.000 0.873 417 F CB -1.446 37.444 39.000 -0.184 0.000 3.943 417 F HN 0.579 nan 8.300 nan 0.000 0.241 418 G N -1.371 107.597 108.800 0.279 0.000 2.195 418 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 418 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 418 G C 0.557 175.610 174.900 0.255 0.000 0.990 418 G CA 0.651 45.937 45.100 0.311 0.000 0.639 418 G HN 0.701 nan 8.290 nan 0.000 0.514 419 E N 0.267 120.625 120.200 0.263 0.000 2.057 419 E HA 0.223 4.573 4.350 -0.000 0.000 0.190 419 E C 1.662 178.268 176.600 0.009 0.000 0.969 419 E CA 0.340 56.810 56.400 0.118 0.000 0.812 419 E CB -0.039 29.805 29.700 0.241 0.000 0.777 419 E HN 0.394 nan 8.360 nan 0.000 0.455 420 R N 1.500 122.130 120.500 0.217 0.000 3.688 420 R HA 0.129 4.469 4.340 -0.000 0.000 0.194 420 R C -0.558 175.698 176.300 -0.074 0.000 1.677 420 R CA -0.025 56.204 56.100 0.215 0.000 1.351 420 R CB -0.142 30.429 30.300 0.451 0.000 1.338 420 R HN 0.092 nan 8.270 nan 0.000 0.731 421 I N 4.324 124.801 120.570 -0.154 0.000 2.307 421 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 421 I C -1.753 174.311 176.117 -0.088 0.000 1.021 421 I CA -3.033 58.101 61.300 -0.277 0.000 1.224 421 I CB 0.942 38.734 38.000 -0.348 0.000 1.376 421 I HN 0.129 nan 8.210 nan 0.000 0.470 422 P HA 0.215 nan 4.420 nan 0.000 0.274 422 P C 0.450 177.674 177.300 -0.127 0.000 1.246 422 P CA -0.064 62.800 63.100 -0.394 0.000 0.795 422 P CB 1.022 32.076 31.700 -1.076 0.000 1.006 423 T N -4.508 110.063 114.554 0.029 0.000 3.010 423 T HA 0.034 4.384 4.350 -0.000 0.000 0.257 423 T C 0.470 175.210 174.700 0.068 0.000 1.020 423 T CA -0.133 62.045 62.100 0.130 0.000 0.938 423 T CB -0.539 68.461 68.868 0.220 0.000 1.049 423 T HN 0.388 nan 8.240 nan 0.000 0.522 424 D N 3.026 123.443 120.400 0.028 0.000 2.845 424 D HA 0.317 4.957 4.640 -0.000 0.000 0.235 424 D C 0.399 176.706 176.300 0.012 0.000 1.158 424 D CA -0.405 53.630 54.000 0.057 0.000 0.990 424 D CB 0.019 40.892 40.800 0.121 0.000 1.094 424 D HN 0.500 nan 8.370 nan 0.000 0.486 425 V N -3.140 116.738 119.914 -0.060 0.000 3.232 425 V HA 0.580 4.700 4.120 -0.000 0.000 0.303 425 V C -1.391 174.612 176.094 -0.152 0.000 1.311 425 V CA -1.214 60.978 62.300 -0.180 0.000 1.061 425 V CB 2.024 33.560 31.823 -0.479 0.000 1.085 425 V HN 0.194 nan 8.190 nan 0.000 0.447 426 Q N 0.601 120.278 119.800 -0.205 0.000 2.303 426 Q HA 0.441 4.781 4.340 -0.000 0.000 0.267 426 Q C -1.871 174.055 176.000 -0.123 0.000 1.011 426 Q CA -0.468 55.285 55.803 -0.082 0.000 0.740 426 Q CB 1.540 30.267 28.738 -0.018 0.000 1.250 426 Q HN 0.800 nan 8.270 nan 0.000 0.458 427 W N 3.334 124.676 121.300 0.069 0.000 2.170 427 W HA 0.124 4.784 4.660 -0.000 0.000 0.336 427 W C 1.141 177.746 176.519 0.142 0.000 1.283 427 W CA -0.453 56.963 57.345 0.119 0.000 1.224 427 W CB 0.323 29.861 29.460 0.130 0.000 1.132 427 W HN 0.741 nan 8.180 nan 0.000 0.571 428 F N 2.662 122.789 119.950 0.295 0.000 2.115 428 F HA -0.370 4.157 4.527 -0.000 0.000 0.300 428 F C 2.098 178.007 175.800 0.182 0.000 1.092 428 F CA 2.425 60.541 58.000 0.194 0.000 1.245 428 F CB -0.048 39.064 39.000 0.187 0.000 0.995 428 F HN 0.398 nan 8.300 nan 0.000 0.481 429 D N -0.895 119.726 120.400 0.369 0.000 2.339 429 D HA 0.121 4.761 4.640 -0.000 0.000 0.217 429 D C 1.649 178.028 176.300 0.131 0.000 1.050 429 D CA 0.725 54.849 54.000 0.207 0.000 0.856 429 D CB -0.582 40.376 40.800 0.262 0.000 0.922 429 D HN 0.423 nan 8.370 nan 0.000 0.518 430 G N 0.079 108.979 108.800 0.166 0.000 2.179 430 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 430 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 430 G C 0.334 175.325 174.900 0.151 0.000 1.010 430 G CA 0.383 45.568 45.100 0.141 0.000 0.736 430 G HN 0.436 nan 8.290 nan 0.000 0.513 431 S N 0.034 115.834 115.700 0.166 0.000 2.569 431 S HA 0.282 4.752 4.470 -0.000 0.000 0.274 431 S C 0.482 175.166 174.600 0.140 0.000 1.353 431 S CA 0.062 58.312 58.200 0.083 0.000 1.023 431 S CB 0.963 64.119 63.200 -0.073 0.000 0.876 431 S HN 0.451 nan 8.310 nan 0.000 0.540 432 D N 1.846 122.303 120.400 0.096 0.000 2.363 432 D HA 0.129 4.769 4.640 -0.000 0.000 0.263 432 D C -1.569 174.834 176.300 0.172 0.000 1.258 432 D CA -1.944 52.136 54.000 0.133 0.000 0.907 432 D CB 0.892 41.754 40.800 0.103 0.000 1.107 432 D HN 0.066 nan 8.370 nan 0.000 0.495 433 P HA -0.154 nan 4.420 nan 0.000 0.219 433 P C 1.146 178.645 177.300 0.331 0.000 1.146 433 P CA 0.929 64.272 63.100 0.405 0.000 0.808 433 P CB 0.311 32.232 31.700 0.368 0.000 0.779 434 Q N -0.236 119.728 119.800 0.274 0.000 2.230 434 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 434 Q C 1.870 178.070 176.000 0.335 0.000 0.963 434 Q CA 1.298 57.302 55.803 0.335 0.000 0.866 434 Q CB -0.345 28.534 28.738 0.235 0.000 0.931 434 Q HN 0.417 nan 8.270 nan 0.000 0.452 435 K N -0.510 120.011 120.400 0.201 0.000 2.186 435 K HA 0.114 4.434 4.320 -0.000 0.000 0.202 435 K C 1.915 178.572 176.600 0.094 0.000 1.052 435 K CA 0.345 56.703 56.287 0.119 0.000 0.965 435 K CB 0.132 32.643 32.500 0.018 0.000 0.746 435 K HN 0.098 nan 8.250 nan 0.000 0.457 436 M N 0.213 119.841 119.600 0.047 0.000 2.476 436 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 436 M C 1.901 178.232 176.300 0.052 0.000 1.079 436 M CA 1.409 56.667 55.300 -0.071 0.000 1.104 436 M CB -0.749 31.528 32.600 -0.537 0.000 1.409 436 M HN 0.235 nan 8.290 nan 0.000 0.467 437 H N 1.214 120.287 119.070 0.005 0.000 2.290 437 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 437 H C 1.779 177.017 175.328 -0.150 0.000 1.087 437 H CA 2.367 58.320 56.048 -0.158 0.000 1.291 437 H CB 0.173 29.604 29.762 -0.552 0.000 1.369 437 H HN 0.271 nan 8.280 nan 0.000 0.492 438 N N -0.598 118.080 118.700 -0.037 0.000 2.135 438 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 438 N C 1.866 177.491 175.510 0.191 0.000 1.027 438 N CA 1.450 54.538 53.050 0.064 0.000 0.849 438 N CB -0.685 37.944 38.487 0.236 0.000 1.002 438 N HN 0.522 nan 8.380 nan 0.000 0.425 439 H N -0.508 118.631 119.070 0.116 0.000 2.524 439 H HA -0.032 4.524 4.556 -0.000 0.000 0.282 439 H C 1.774 177.206 175.328 0.173 0.000 1.016 439 H CA 0.830 56.967 56.048 0.148 0.000 1.270 439 H CB -0.237 29.555 29.762 0.050 0.000 1.394 439 H HN 0.275 nan 8.280 nan 0.000 0.568 440 Y N 0.304 120.595 120.300 -0.015 0.000 2.151 440 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 440 Y C 2.558 178.499 175.900 0.068 0.000 1.166 440 Y CA 1.874 59.961 58.100 -0.021 0.000 1.163 440 Y CB -0.609 37.847 38.460 -0.006 0.000 0.974 440 Y HN 0.330 nan 8.280 nan 0.000 0.511 441 A N -0.632 122.356 122.820 0.280 0.000 1.940 441 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 441 A C 2.088 179.738 177.584 0.110 0.000 1.176 441 A CA 1.857 54.050 52.037 0.260 0.000 0.631 441 A CB -1.508 17.637 19.000 0.241 0.000 0.814 441 A HN 0.766 nan 8.150 nan 0.000 0.446 442 Y N 0.481 120.742 120.300 -0.066 0.000 2.133 442 Y HA -0.184 4.366 4.550 -0.000 0.000 0.287 442 Y C 2.073 177.831 175.900 -0.238 0.000 1.134 442 Y CA 1.694 59.722 58.100 -0.120 0.000 1.133 442 Y CB -0.131 38.197 38.460 -0.221 0.000 0.987 442 Y HN 0.227 nan 8.280 nan 0.000 0.502 443 I N 0.287 120.680 120.570 -0.295 0.000 2.163 443 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 443 I C 2.414 178.222 176.117 -0.515 0.000 1.085 443 I CA 1.762 62.837 61.300 -0.375 0.000 1.347 443 I CB -1.880 35.938 38.000 -0.304 0.000 1.044 443 I HN 0.455 nan 8.210 nan 0.000 0.408 444 Y N 2.218 122.138 120.300 -0.632 0.000 2.053 444 Y HA -0.348 4.202 4.550 -0.000 0.000 0.277 444 Y C 2.651 178.192 175.900 -0.599 0.000 1.159 444 Y CA 1.959 59.642 58.100 -0.695 0.000 1.125 444 Y CB -0.178 38.079 38.460 -0.338 0.000 0.969 444 Y HN 0.224 nan 8.280 nan 0.000 0.492 445 N N 0.446 118.769 118.700 -0.630 0.000 2.188 445 N HA -0.222 4.518 4.740 -0.000 0.000 0.184 445 N C 1.840 176.834 175.510 -0.860 0.000 1.018 445 N CA 1.510 54.145 53.050 -0.693 0.000 0.858 445 N CB -0.404 37.829 38.487 -0.424 0.000 0.989 445 N HN 0.601 nan 8.380 nan 0.000 0.426 446 E N 1.455 120.984 120.200 -1.117 0.000 2.097 446 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 446 E C 2.206 178.362 176.600 -0.740 0.000 1.000 446 E CA 0.749 56.313 56.400 -1.393 0.000 0.804 446 E CB -0.138 28.955 29.700 -1.012 0.000 0.740 446 E HN 0.270 nan 8.360 nan 0.000 0.454 447 L N 0.428 121.285 121.223 -0.611 0.000 2.012 447 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 447 L C 2.393 179.045 176.870 -0.363 0.000 1.073 447 L CA 1.373 55.925 54.840 -0.479 0.000 0.748 447 L CB -0.160 41.493 42.059 -0.676 0.000 0.891 447 L HN 0.105 nan 8.230 nan 0.000 0.431 448 V N -0.912 118.776 119.914 -0.376 0.000 2.358 448 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 448 V C 2.118 178.128 176.094 -0.141 0.000 1.047 448 V CA 2.002 64.158 62.300 -0.241 0.000 1.035 448 V CB -0.972 30.705 31.823 -0.244 0.000 0.658 448 V HN 0.712 nan 8.190 nan 0.000 0.452 449 W N 1.702 122.762 121.300 -0.401 0.000 2.318 449 W HA -0.250 4.410 4.660 -0.000 0.000 0.313 449 W C 2.286 178.678 176.519 -0.212 0.000 1.221 449 W CA 2.262 59.419 57.345 -0.314 0.000 1.266 449 W CB -0.476 28.644 29.460 -0.566 0.000 1.150 449 W HN 0.345 nan 8.180 nan 0.000 0.496 450 N N 0.513 119.164 118.700 -0.081 0.000 2.166 450 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 450 N C 1.760 177.186 175.510 -0.139 0.000 1.019 450 N CA 1.923 54.919 53.050 -0.090 0.000 0.856 450 N CB -0.968 37.472 38.487 -0.078 0.000 0.993 450 N HN 0.047 nan 8.380 nan 0.000 0.426 451 V N 1.167 120.996 119.914 -0.142 0.000 2.332 451 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 451 V C 2.287 178.313 176.094 -0.112 0.000 1.055 451 V CA 1.188 63.421 62.300 -0.112 0.000 1.038 451 V CB -0.412 31.352 31.823 -0.098 0.000 0.651 451 V HN 0.179 nan 8.190 nan 0.000 0.450 452 L N 0.081 121.209 121.223 -0.158 0.000 2.017 452 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 452 L C 2.438 179.149 176.870 -0.265 0.000 1.073 452 L CA 2.012 56.726 54.840 -0.210 0.000 0.745 452 L CB -1.216 40.652 42.059 -0.319 0.000 0.894 452 L HN 0.353 nan 8.230 nan 0.000 0.432 453 K N -0.458 119.723 120.400 -0.366 0.000 2.089 453 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 453 K C 0.934 177.458 176.600 -0.128 0.000 1.048 453 K CA 1.938 58.070 56.287 -0.257 0.000 0.926 453 K CB -0.085 32.299 32.500 -0.193 0.000 0.714 453 K HN 0.322 nan 8.250 nan 0.000 0.448 454 D N -0.228 120.107 120.400 -0.107 0.000 2.328 454 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 454 D C 1.173 177.433 176.300 -0.066 0.000 1.066 454 D CA 0.827 54.785 54.000 -0.070 0.000 0.861 454 D CB 0.803 41.566 40.800 -0.060 0.000 0.912 454 D HN 0.526 nan 8.370 nan 0.000 0.521 455 T N -2.914 111.593 114.554 -0.078 0.000 3.364 455 T HA -0.015 4.335 4.350 -0.000 0.000 0.179 455 T C 2.029 176.690 174.700 -0.066 0.000 0.939 455 T CA 0.664 62.725 62.100 -0.066 0.000 1.094 455 T CB -0.679 68.152 68.868 -0.063 0.000 1.532 455 T HN -0.113 nan 8.240 nan 0.000 0.346 456 V N 0.597 120.466 119.914 -0.075 0.000 2.688 456 V HA 0.421 4.541 4.120 -0.000 0.000 0.256 456 V C 1.383 177.448 176.094 -0.048 0.000 1.084 456 V CA 0.743 63.006 62.300 -0.061 0.000 1.103 456 V CB -1.954 29.834 31.823 -0.057 0.000 0.688 456 V HN 1.608 nan 8.190 nan 0.000 0.480 457 G N -0.296 108.463 108.800 -0.069 0.000 2.770 457 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 457 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 457 G C -0.000 174.849 174.900 -0.084 0.000 1.180 457 G CA 0.154 45.222 45.100 -0.054 0.000 0.767 457 G HN 0.492 nan 8.290 nan 0.000 0.646 458 E N 0.273 120.434 120.200 -0.065 0.000 2.147 458 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 458 E C 2.046 178.633 176.600 -0.021 0.000 1.005 458 E CA 2.325 58.690 56.400 -0.058 0.000 0.810 458 E CB 0.022 29.746 29.700 0.041 0.000 0.736 458 E HN 0.726 nan 8.360 nan 0.000 0.460 459 E N 0.251 120.465 120.200 0.023 0.000 2.204 459 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 459 E C 1.585 178.222 176.600 0.062 0.000 0.989 459 E CA 0.981 57.423 56.400 0.070 0.000 0.824 459 E CB 0.064 29.815 29.700 0.085 0.000 0.756 459 E HN 0.232 nan 8.360 nan 0.000 0.477 460 E N 0.234 120.452 120.200 0.029 0.000 2.481 460 E HA 0.212 4.562 4.350 -0.000 0.000 0.198 460 E C 0.069 176.662 176.600 -0.012 0.000 1.027 460 E CA 0.097 56.558 56.400 0.102 0.000 0.900 460 E CB 0.553 30.332 29.700 0.133 0.000 0.993 460 E HN 0.200 nan 8.360 nan 0.000 0.482 461 A N 1.281 123.960 122.820 -0.236 0.000 2.401 461 A HA 0.428 4.748 4.320 -0.000 0.000 0.259 461 A C -0.103 177.254 177.584 -0.378 0.000 1.103 461 A CA -0.139 51.567 52.037 -0.551 0.000 0.789 461 A CB 0.852 19.030 19.000 -1.371 0.000 1.035 461 A HN 0.017 nan 8.150 nan 0.000 0.491 462 V N 3.568 123.372 119.914 -0.183 0.000 3.098 462 V HA 0.556 4.676 4.120 -0.000 0.000 0.294 462 V C -1.342 174.846 176.094 0.156 0.000 1.351 462 V CA -0.542 61.796 62.300 0.063 0.000 0.999 462 V CB 1.975 33.751 31.823 -0.079 0.000 1.104 462 V HN 0.893 nan 8.190 nan 0.000 0.438 463 L N 4.235 125.582 121.223 0.207 0.000 2.309 463 L HA 0.671 5.011 4.340 -0.000 0.000 0.261 463 L C -1.427 175.561 176.870 0.196 0.000 1.021 463 L CA -0.658 54.281 54.840 0.165 0.000 0.823 463 L CB 2.222 44.339 42.059 0.096 0.000 1.366 463 L HN 0.492 nan 8.230 nan 0.000 0.423 464 F N 1.457 121.271 119.950 -0.227 0.000 2.293 464 F HA 0.541 5.068 4.527 -0.000 0.000 0.370 464 F C 0.440 176.063 175.800 -0.294 0.000 1.090 464 F CA -1.048 56.733 58.000 -0.364 0.000 1.133 464 F CB 1.110 39.750 39.000 -0.600 0.000 1.360 464 F HN 0.349 nan 8.300 nan 0.000 0.489 465 A N 4.382 127.094 122.820 -0.179 0.000 2.276 465 A HA 0.510 4.830 4.320 -0.000 0.000 0.316 465 A C 1.322 178.865 177.584 -0.067 0.000 1.229 465 A CA -0.567 51.346 52.037 -0.207 0.000 0.851 465 A CB 0.673 19.431 19.000 -0.404 0.000 1.165 465 A HN 0.832 nan 8.150 nan 0.000 0.513 466 R N 1.408 121.890 120.500 -0.030 0.000 2.127 466 R HA 0.015 4.355 4.340 -0.000 0.000 0.217 466 R C 0.733 177.007 176.300 -0.042 0.000 1.074 466 R CA 1.452 57.518 56.100 -0.056 0.000 0.991 466 R CB 0.056 30.250 30.300 -0.178 0.000 0.895 466 R HN 0.828 nan 8.270 nan 0.000 0.450 467 S N -1.204 114.533 115.700 0.061 0.000 2.726 467 S HA 0.877 5.347 4.470 -0.000 0.000 0.308 467 S C -0.728 173.992 174.600 0.201 0.000 1.115 467 S CA -0.465 57.829 58.200 0.158 0.000 0.965 467 S CB 2.346 65.666 63.200 0.200 0.000 1.145 467 S HN 0.253 nan 8.310 nan 0.000 0.532 468 A N -0.041 122.905 122.820 0.209 0.000 2.567 468 A HA 0.839 5.159 4.320 -0.000 0.000 0.291 468 A C -0.663 177.069 177.584 0.246 0.000 1.048 468 A CA -0.429 51.766 52.037 0.263 0.000 0.661 468 A CB 0.854 19.985 19.000 0.218 0.000 1.288 468 A HN 1.412 nan 8.150 nan 0.000 0.424 469 S N -0.951 114.936 115.700 0.311 0.000 2.625 469 S HA 0.589 5.059 4.470 -0.000 0.000 0.271 469 S C -0.852 173.872 174.600 0.207 0.000 1.161 469 S CA -0.154 58.215 58.200 0.282 0.000 0.820 469 S CB 1.406 64.806 63.200 0.333 0.000 1.137 469 S HN 1.692 nan 8.310 nan 0.000 0.470 470 V N 3.021 122.920 119.914 -0.025 0.000 2.678 470 V HA 0.321 4.441 4.120 -0.000 0.000 0.304 470 V C 1.800 177.740 176.094 -0.256 0.000 1.086 470 V CA 2.115 64.232 62.300 -0.305 0.000 1.246 470 V CB -0.187 31.033 31.823 -1.005 0.000 0.861 470 V HN 1.546 nan 8.190 nan 0.000 0.491 471 G N 4.108 112.732 108.800 -0.294 0.000 2.254 471 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.225 471 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.225 471 G C 0.954 175.769 174.900 -0.142 0.000 1.003 471 G CA 0.271 45.219 45.100 -0.254 0.000 0.622 471 G HN 1.423 nan 8.290 nan 0.000 0.507 472 A N 1.107 123.963 122.820 0.059 0.000 2.172 472 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 472 A C 2.236 179.718 177.584 -0.169 0.000 1.154 472 A CA 2.131 54.218 52.037 0.082 0.000 0.701 472 A CB -0.387 18.869 19.000 0.425 0.000 0.789 472 A HN 0.937 nan 8.150 nan 0.000 0.465 473 Q N 0.706 120.093 119.800 -0.688 0.000 2.291 473 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 473 Q C 1.163 176.839 176.000 -0.540 0.000 0.976 473 Q CA 1.648 56.936 55.803 -0.858 0.000 0.875 473 Q CB -0.547 27.377 28.738 -1.357 0.000 0.927 473 Q HN 0.655 nan 8.270 nan 0.000 0.450 474 K N 0.142 120.068 120.400 -0.790 0.000 2.360 474 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 474 K C -0.278 175.576 176.600 -1.244 0.000 1.046 474 K CA 0.636 56.327 56.287 -0.993 0.000 0.945 474 K CB 0.019 31.764 32.500 -1.258 0.000 0.750 474 K HN 0.179 nan 8.250 nan 0.000 0.464 475 F N 0.964 120.518 119.950 -0.660 0.000 2.471 475 F HA 0.291 4.818 4.527 -0.000 0.000 0.318 475 F C -2.214 173.349 175.800 -0.395 0.000 1.308 475 F CA -3.604 53.774 58.000 -1.036 0.000 1.162 475 F CB 0.087 38.667 39.000 -0.700 0.000 1.383 475 F HN -0.148 nan 8.300 nan 0.000 0.552 476 P HA 0.029 nan 4.420 nan 0.000 0.291 476 P C 0.249 177.535 177.300 -0.024 0.000 1.287 476 P CA -0.208 62.913 63.100 0.035 0.000 0.767 476 P CB 0.649 32.367 31.700 0.030 0.000 1.290 477 V N 0.244 120.044 119.914 -0.191 0.000 2.923 477 V HA -0.183 3.937 4.120 -0.000 0.000 0.286 477 V C 0.919 176.786 176.094 -0.378 0.000 1.376 477 V CA 1.171 63.293 62.300 -0.297 0.000 1.423 477 V CB -1.350 30.017 31.823 -0.759 0.000 0.865 477 V HN 0.442 nan 8.190 nan 0.000 0.514 478 H N 3.014 122.006 119.070 -0.130 0.000 2.517 478 H HA 0.214 4.770 4.556 -0.000 0.000 0.317 478 H C -0.528 174.642 175.328 -0.264 0.000 1.080 478 H CA -0.466 55.521 56.048 -0.101 0.000 1.301 478 H CB 1.305 31.064 29.762 -0.006 0.000 1.425 478 H HN 0.840 nan 8.280 nan 0.000 0.471 479 W N 3.369 124.401 121.300 -0.446 0.000 2.433 479 W HA 0.362 5.022 4.660 -0.000 0.000 0.315 479 W C 0.679 176.966 176.519 -0.386 0.000 1.087 479 W CA -0.862 56.093 57.345 -0.650 0.000 1.205 479 W CB 1.099 30.160 29.460 -0.665 0.000 1.288 479 W HN 0.710 nan 8.180 nan 0.000 0.504 480 G N 3.552 111.646 108.800 -1.177 0.000 2.956 480 G HA2 0.357 4.317 3.960 -0.000 0.000 0.207 480 G HA3 0.357 4.317 3.960 -0.000 0.000 0.207 480 G C 0.657 175.120 174.900 -0.728 0.000 1.162 480 G CA 0.549 45.309 45.100 -0.565 0.000 0.796 480 G HN 1.371 nan 8.290 nan 0.000 0.527 481 G N -0.006 107.670 108.800 -1.873 0.000 2.587 481 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.212 481 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.212 481 G C -1.084 173.276 174.900 -0.900 0.000 1.327 481 G CA -0.313 43.946 45.100 -1.401 0.000 0.898 481 G HN 0.199 nan 8.290 nan 0.000 0.551 482 D N 0.485 120.710 120.400 -0.291 0.000 2.359 482 D HA 0.508 5.148 4.640 -0.000 0.000 0.230 482 D C -0.057 176.217 176.300 -0.043 0.000 1.118 482 D CA 0.206 54.146 54.000 -0.101 0.000 0.844 482 D CB 0.955 41.769 40.800 0.024 0.000 1.059 482 D HN 0.624 nan 8.370 nan 0.000 0.493 483 C N 2.535 121.834 119.300 -0.001 0.000 2.456 483 C HA 0.380 4.840 4.460 -0.000 0.000 0.325 483 C C 0.110 175.137 174.990 0.061 0.000 1.217 483 C CA -0.914 58.163 59.018 0.098 0.000 1.687 483 C CB 0.231 28.136 27.740 0.275 0.000 2.270 483 C HN 0.511 nan 8.230 nan 0.000 0.499 484 Y N 0.605 121.037 120.300 0.219 0.000 2.357 484 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 484 Y C 0.983 177.046 175.900 0.272 0.000 1.260 484 Y CA 0.071 58.293 58.100 0.203 0.000 1.425 484 Y CB 0.528 39.085 38.460 0.162 0.000 1.326 484 Y HN 0.758 nan 8.280 nan 0.000 0.580 485 A N 3.003 126.035 122.820 0.353 0.000 3.157 485 A HA 0.383 4.703 4.320 -0.000 0.000 0.276 485 A C -0.724 177.030 177.584 0.283 0.000 1.524 485 A CA -0.370 51.845 52.037 0.297 0.000 1.236 485 A CB -1.538 17.548 19.000 0.143 0.000 1.173 485 A HN 0.810 nan 8.150 nan 0.000 0.595 486 N N -2.417 116.503 118.700 0.366 0.000 2.732 486 N HA 0.414 5.154 4.740 -0.000 0.000 0.259 486 N C -0.118 175.503 175.510 0.185 0.000 1.402 486 N CA -0.786 52.360 53.050 0.160 0.000 0.829 486 N CB 0.355 38.940 38.487 0.163 0.000 1.495 486 N HN -0.077 nan 8.380 nan 0.000 0.511 487 Y N -0.241 120.201 120.300 0.237 0.000 2.242 487 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 487 Y C 1.672 177.646 175.900 0.123 0.000 1.137 487 Y CA 1.230 59.459 58.100 0.215 0.000 1.181 487 Y CB -0.318 38.302 38.460 0.266 0.000 0.989 487 Y HN 0.650 nan 8.280 nan 0.000 0.527 488 E N -0.549 119.797 120.200 0.243 0.000 2.077 488 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 488 E C 2.473 179.137 176.600 0.108 0.000 0.989 488 E CA 1.420 57.886 56.400 0.110 0.000 0.800 488 E CB -0.506 29.252 29.700 0.097 0.000 0.746 488 E HN 0.224 nan 8.360 nan 0.000 0.452 489 S N -0.236 115.576 115.700 0.187 0.000 2.382 489 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 489 S C 1.945 176.673 174.600 0.213 0.000 1.027 489 S CA 1.336 59.685 58.200 0.249 0.000 0.991 489 S CB -0.187 63.249 63.200 0.393 0.000 0.823 489 S HN 0.309 nan 8.310 nan 0.000 0.469 490 M N 0.948 120.543 119.600 -0.010 0.000 2.080 490 M HA -0.084 4.396 4.480 -0.000 0.000 0.260 490 M C 2.194 178.530 176.300 0.061 0.000 1.068 490 M CA 1.807 56.856 55.300 -0.418 0.000 1.109 490 M CB -0.565 31.542 32.600 -0.822 0.000 1.342 490 M HN 0.480 nan 8.290 nan 0.000 0.405 491 A N 0.953 123.792 122.820 0.033 0.000 1.908 491 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 491 A C 1.770 179.338 177.584 -0.027 0.000 1.181 491 A CA 2.065 53.984 52.037 -0.196 0.000 0.627 491 A CB -0.970 17.704 19.000 -0.543 0.000 0.818 491 A HN 0.792 nan 8.150 nan 0.000 0.445 492 E N -0.448 119.789 120.200 0.062 0.000 2.150 492 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 492 E C 2.090 178.871 176.600 0.301 0.000 0.985 492 E CA 1.183 57.678 56.400 0.159 0.000 0.814 492 E CB -0.418 29.385 29.700 0.171 0.000 0.752 492 E HN 0.505 nan 8.360 nan 0.000 0.466 493 S N 0.975 116.868 115.700 0.321 0.000 2.356 493 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 493 S C 1.977 176.780 174.600 0.339 0.000 1.032 493 S CA 0.961 59.444 58.200 0.472 0.000 1.005 493 S CB -0.231 63.307 63.200 0.564 0.000 0.867 493 S HN 0.289 nan 8.310 nan 0.000 0.449 494 L N 2.162 123.530 121.223 0.242 0.000 2.079 494 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 494 L C 2.386 179.158 176.870 -0.162 0.000 1.081 494 L CA 1.749 56.609 54.840 0.033 0.000 0.752 494 L CB -0.735 41.282 42.059 -0.070 0.000 0.896 494 L HN 0.252 nan 8.230 nan 0.000 0.433 495 R N -0.554 119.901 120.500 -0.076 0.000 2.091 495 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 495 R C 2.218 178.358 176.300 -0.268 0.000 1.136 495 R CA 1.303 57.326 56.100 -0.128 0.000 0.959 495 R CB -1.109 29.159 30.300 -0.055 0.000 0.856 495 R HN 0.589 nan 8.270 nan 0.000 0.437 496 G N 0.258 108.897 108.800 -0.269 0.000 2.421 496 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 496 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 496 G C 1.522 175.953 174.900 -0.781 0.000 1.171 496 G CA 0.852 45.624 45.100 -0.546 0.000 0.775 496 G HN 0.464 nan 8.290 nan 0.000 0.543 497 G N 0.782 108.812 108.800 -1.283 0.000 2.422 497 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 497 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 497 G C 1.818 176.090 174.900 -1.047 0.000 1.146 497 G CA 0.722 44.464 45.100 -2.263 0.000 0.769 497 G HN 0.422 nan 8.290 nan 0.000 0.547 498 L N 0.786 121.612 121.223 -0.661 0.000 2.046 498 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 498 L C 3.181 179.863 176.870 -0.313 0.000 1.077 498 L CA 1.282 55.894 54.840 -0.381 0.000 0.747 498 L CB -0.429 41.488 42.059 -0.236 0.000 0.896 498 L HN 0.163 nan 8.230 nan 0.000 0.432 499 S N -0.096 115.402 115.700 -0.337 0.000 2.382 499 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 499 S C 1.971 176.419 174.600 -0.254 0.000 1.027 499 S CA 1.149 59.195 58.200 -0.257 0.000 0.991 499 S CB -0.244 62.781 63.200 -0.293 0.000 0.823 499 S HN 0.319 nan 8.310 nan 0.000 0.469 500 I N 1.440 121.790 120.570 -0.365 0.000 2.315 500 I HA -0.132 4.037 4.170 -0.000 0.000 0.248 500 I C 2.372 178.425 176.117 -0.106 0.000 1.117 500 I CA 1.054 62.178 61.300 -0.292 0.000 1.404 500 I CB -0.605 37.145 38.000 -0.417 0.000 1.071 500 I HN 0.394 nan 8.210 nan 0.000 0.419 501 G N 0.787 109.490 108.800 -0.162 0.000 2.422 501 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 501 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 501 G C 1.524 176.373 174.900 -0.085 0.000 1.146 501 G CA 0.421 45.457 45.100 -0.108 0.000 0.769 501 G HN 0.393 nan 8.290 nan 0.000 0.547 502 L N 0.916 122.086 121.223 -0.088 0.000 2.622 502 L HA 0.119 4.459 4.340 -0.000 0.000 0.233 502 L C 1.702 178.603 176.870 0.053 0.000 1.156 502 L CA 0.403 55.219 54.840 -0.040 0.000 0.866 502 L CB 0.386 42.415 42.059 -0.050 0.000 0.980 502 L HN 0.088 nan 8.230 nan 0.000 0.448 503 S N -0.999 114.716 115.700 0.024 0.000 2.730 503 S HA 0.380 4.850 4.470 -0.000 0.000 0.244 503 S C 1.174 175.738 174.600 -0.060 0.000 1.022 503 S CA 0.396 58.616 58.200 0.035 0.000 1.014 503 S CB 1.215 64.477 63.200 0.103 0.000 0.963 503 S HN 0.497 nan 8.310 nan 0.000 0.540 504 G N 1.213 109.959 108.800 -0.090 0.000 2.184 504 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.206 504 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.206 504 G C -0.176 174.530 174.900 -0.323 0.000 0.995 504 G CA -0.704 44.299 45.100 -0.162 0.000 0.651 504 G HN 0.417 nan 8.290 nan 0.000 0.511 505 F N 1.075 120.911 119.950 -0.189 0.000 2.415 505 F HA 0.569 5.096 4.527 -0.000 0.000 0.348 505 F C 1.579 177.263 175.800 -0.193 0.000 1.119 505 F CA 0.245 58.125 58.000 -0.199 0.000 1.069 505 F CB 1.973 40.828 39.000 -0.242 0.000 1.124 505 F HN 0.006 nan 8.300 nan 0.000 0.472 506 G N 3.014 111.748 108.800 -0.110 0.000 2.539 506 G HA2 0.078 4.038 3.960 -0.000 0.000 0.215 506 G HA3 0.078 4.038 3.960 -0.000 0.000 0.215 506 G C -0.156 174.267 174.900 -0.794 0.000 1.141 506 G CA 0.358 45.164 45.100 -0.491 0.000 0.806 506 G HN 0.398 nan 8.290 nan 0.000 0.533 507 F N -2.631 117.407 119.950 0.146 0.000 2.599 507 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 507 F C -1.108 174.830 175.800 0.229 0.000 1.076 507 F CA -1.514 56.594 58.000 0.180 0.000 0.937 507 F CB 1.975 41.027 39.000 0.087 0.000 1.282 507 F HN 0.002 nan 8.300 nan 0.000 0.460 508 W N 1.734 123.124 121.300 0.150 0.000 3.405 508 W HA 0.633 5.293 4.660 -0.000 0.000 0.329 508 W C -1.498 175.015 176.519 -0.011 0.000 1.142 508 W CA -0.726 56.622 57.345 0.006 0.000 1.235 508 W CB 1.930 31.372 29.460 -0.030 0.000 1.341 508 W HN 0.527 nan 8.180 nan 0.000 0.481 509 S N 3.356 118.562 115.700 -0.823 0.000 2.648 509 S HA 0.889 5.359 4.470 -0.000 0.000 0.305 509 S C -1.142 172.728 174.600 -1.218 0.000 1.094 509 S CA -0.240 57.419 58.200 -0.902 0.000 0.983 509 S CB 0.978 63.398 63.200 -1.300 0.000 1.101 509 S HN 0.731 nan 8.310 nan 0.000 0.514 510 H N -0.702 117.812 119.070 -0.927 0.000 3.024 510 H HA 0.503 5.059 4.556 -0.000 0.000 0.324 510 H C -2.156 172.994 175.328 -0.296 0.000 1.347 510 H CA -1.021 54.550 56.048 -0.796 0.000 1.182 510 H CB 0.252 29.428 29.762 -0.976 0.000 1.889 510 H HN 0.330 nan 8.280 nan 0.000 0.528 511 D N 1.641 121.943 120.400 -0.163 0.000 2.198 511 D HA 0.271 4.911 4.640 -0.000 0.000 0.245 511 D C 0.220 176.239 176.300 -0.470 0.000 1.079 511 D CA -0.324 53.583 54.000 -0.154 0.000 0.854 511 D CB 1.578 42.410 40.800 0.053 0.000 1.148 511 D HN 0.439 nan 8.370 nan 0.000 0.456 512 I N 1.461 121.754 120.570 -0.462 0.000 2.533 512 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 512 I C 1.596 177.278 176.117 -0.725 0.000 1.109 512 I CA 0.381 61.283 61.300 -0.662 0.000 1.412 512 I CB 0.602 38.389 38.000 -0.355 0.000 1.396 512 I HN 0.681 nan 8.210 nan 0.000 0.543 513 G N 3.895 111.978 108.800 -1.195 0.000 2.179 513 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.260 513 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.260 513 G C 0.736 175.154 174.900 -0.802 0.000 0.977 513 G CA 0.142 44.865 45.100 -0.628 0.000 0.641 513 G HN 1.498 nan 8.290 nan 0.000 0.533 514 G N -1.104 107.012 108.800 -1.141 0.000 2.562 514 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.250 514 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.250 514 G C 0.544 175.404 174.900 -0.066 0.000 1.269 514 G CA 0.520 45.330 45.100 -0.483 0.000 0.919 514 G HN 1.358 nan 8.290 nan 0.000 0.574 515 F N 0.584 120.443 119.950 -0.151 0.000 2.637 515 F HA 0.380 4.907 4.527 -0.000 0.000 0.284 515 F C 1.445 177.190 175.800 -0.093 0.000 1.105 515 F CA 0.534 58.481 58.000 -0.088 0.000 1.356 515 F CB 0.360 39.334 39.000 -0.043 0.000 1.096 515 F HN 0.550 nan 8.300 nan 0.000 0.616 516 E N 2.450 122.605 120.200 -0.076 0.000 2.292 516 E HA -0.113 4.237 4.350 -0.000 0.000 0.265 516 E C 0.013 176.575 176.600 -0.064 0.000 1.093 516 E CA -0.185 56.135 56.400 -0.132 0.000 0.922 516 E CB 0.071 29.763 29.700 -0.013 0.000 1.001 516 E HN 0.262 nan 8.360 nan 0.000 0.444 517 N N 3.840 122.473 118.700 -0.112 0.000 2.542 517 N HA -0.044 4.696 4.740 -0.000 0.000 0.234 517 N C -0.049 175.450 175.510 -0.019 0.000 1.257 517 N CA 0.450 53.456 53.050 -0.073 0.000 0.883 517 N CB 0.094 38.509 38.487 -0.120 0.000 1.197 517 N HN 0.466 nan 8.380 nan 0.000 0.488 518 T N -3.330 111.239 114.554 0.025 0.000 3.252 518 T HA 0.381 4.731 4.350 -0.000 0.000 0.286 518 T C 0.443 175.189 174.700 0.077 0.000 1.013 518 T CA -0.558 61.571 62.100 0.048 0.000 0.914 518 T CB 0.330 69.233 68.868 0.058 0.000 1.131 518 T HN 0.158 nan 8.240 nan 0.000 0.529 519 A N 3.157 126.036 122.820 0.099 0.000 2.522 519 A HA 0.532 4.852 4.320 -0.000 0.000 0.256 519 A C -2.243 175.381 177.584 0.066 0.000 1.086 519 A CA -1.000 51.086 52.037 0.082 0.000 0.763 519 A CB -0.351 18.708 19.000 0.099 0.000 1.024 519 A HN 0.335 nan 8.150 nan 0.000 0.502 520 P HA 0.221 nan 4.420 nan 0.000 0.268 520 P C 0.950 178.141 177.300 -0.181 0.000 1.205 520 P CA 0.442 63.489 63.100 -0.089 0.000 0.771 520 P CB 0.875 32.428 31.700 -0.244 0.000 0.858 521 A N 3.228 126.017 122.820 -0.051 0.000 1.917 521 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 521 A C 1.950 179.418 177.584 -0.192 0.000 1.182 521 A CA 2.381 54.310 52.037 -0.179 0.000 0.633 521 A CB -1.931 17.085 19.000 0.026 0.000 0.819 521 A HN 0.847 nan 8.150 nan 0.000 0.448 522 H N -1.492 117.530 119.070 -0.080 0.000 2.352 522 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 522 H C 1.595 177.069 175.328 0.243 0.000 1.097 522 H CA 1.603 57.664 56.048 0.023 0.000 1.311 522 H CB -0.876 29.112 29.762 0.377 0.000 1.377 522 H HN 0.119 nan 8.280 nan 0.000 0.504 523 V N 0.569 120.289 119.914 -0.323 0.000 2.295 523 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 523 V C 2.363 178.562 176.094 0.174 0.000 1.049 523 V CA 2.103 64.311 62.300 -0.152 0.000 1.024 523 V CB -0.964 30.617 31.823 -0.404 0.000 0.648 523 V HN 0.494 nan 8.190 nan 0.000 0.447 524 Y N 1.179 121.396 120.300 -0.139 0.000 2.128 524 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 524 Y C 2.511 178.406 175.900 -0.009 0.000 1.154 524 Y CA 2.133 60.132 58.100 -0.169 0.000 1.149 524 Y CB -0.168 37.866 38.460 -0.710 0.000 0.976 524 Y HN 0.146 nan 8.280 nan 0.000 0.505 525 K N -0.282 120.152 120.400 0.057 0.000 2.026 525 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 525 K C 2.125 178.860 176.600 0.225 0.000 1.048 525 K CA 1.570 57.913 56.287 0.093 0.000 0.929 525 K CB -0.095 32.366 32.500 -0.064 0.000 0.713 525 K HN 0.113 nan 8.250 nan 0.000 0.439 526 R N -0.188 120.526 120.500 0.356 0.000 2.096 526 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 526 R C 1.982 178.417 176.300 0.225 0.000 1.127 526 R CA 0.987 57.270 56.100 0.305 0.000 0.968 526 R CB -0.625 29.909 30.300 0.389 0.000 0.861 526 R HN 0.441 nan 8.270 nan 0.000 0.440 527 W N 0.928 122.290 121.300 0.104 0.000 2.436 527 W HA -0.117 4.543 4.660 -0.000 0.000 0.284 527 W C 1.923 178.423 176.519 -0.032 0.000 1.225 527 W CA 0.026 57.441 57.345 0.117 0.000 1.271 527 W CB -0.468 29.038 29.460 0.077 0.000 1.114 527 W HN 0.049 nan 8.180 nan 0.000 0.559 528 C N 0.212 119.552 119.300 0.066 0.000 2.413 528 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 528 C C 3.078 178.010 174.990 -0.097 0.000 1.236 528 C CA 1.756 60.732 59.018 -0.069 0.000 1.735 528 C CB -1.534 26.143 27.740 -0.105 0.000 2.031 528 C HN 0.353 nan 8.230 nan 0.000 0.474 529 A N 0.483 123.133 122.820 -0.283 0.000 1.865 529 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 529 A C 1.987 179.488 177.584 -0.139 0.000 1.191 529 A CA 1.921 53.516 52.037 -0.737 0.000 0.623 529 A CB -0.990 17.557 19.000 -0.755 0.000 0.826 529 A HN 0.499 nan 8.150 nan 0.000 0.444 530 F N 1.458 121.357 119.950 -0.086 0.000 2.065 530 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 530 F C 2.311 178.282 175.800 0.285 0.000 1.112 530 F CA 1.571 59.644 58.000 0.123 0.000 1.212 530 F CB -1.179 37.868 39.000 0.079 0.000 0.975 530 F HN 0.179 nan 8.300 nan 0.000 0.476 531 G N 0.725 109.588 108.800 0.106 0.000 2.440 531 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.218 531 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.218 531 G C 1.579 176.468 174.900 -0.019 0.000 1.154 531 G CA 0.773 45.775 45.100 -0.163 0.000 0.767 531 G HN 0.374 nan 8.290 nan 0.000 0.552 532 L N -0.093 121.177 121.223 0.080 0.000 2.492 532 L HA 0.254 4.594 4.340 -0.000 0.000 0.223 532 L C 1.408 178.417 176.870 0.232 0.000 1.132 532 L CA 0.610 55.546 54.840 0.160 0.000 0.850 532 L CB -0.247 41.949 42.059 0.227 0.000 0.966 532 L HN 0.122 nan 8.230 nan 0.000 0.454 533 L N -1.218 120.170 121.223 0.276 0.000 2.848 533 L HA 0.251 4.590 4.340 -0.000 0.000 0.240 533 L C 0.605 177.763 176.870 0.480 0.000 1.232 533 L CA 0.221 55.278 54.840 0.362 0.000 1.031 533 L CB -0.530 41.739 42.059 0.349 0.000 1.338 533 L HN 0.001 nan 8.230 nan 0.000 0.509 534 S N -1.745 114.178 115.700 0.373 0.000 2.726 534 S HA 0.362 4.832 4.470 -0.000 0.000 0.308 534 S C 1.222 175.987 174.600 0.276 0.000 1.115 534 S CA 0.041 58.460 58.200 0.364 0.000 0.965 534 S CB 1.923 65.362 63.200 0.398 0.000 1.145 534 S HN 0.347 nan 8.310 nan 0.000 0.532 535 S N 0.490 116.367 115.700 0.295 0.000 2.368 535 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 535 S C 0.110 174.593 174.600 -0.194 0.000 1.030 535 S CA 1.119 59.472 58.200 0.254 0.000 0.999 535 S CB -0.454 63.062 63.200 0.526 0.000 0.844 535 S HN 0.758 nan 8.310 nan 0.000 0.459 536 H N -0.044 119.006 119.070 -0.033 0.000 2.771 536 H HA 0.724 5.280 4.556 -0.000 0.000 0.361 536 H C -1.175 173.980 175.328 -0.289 0.000 1.108 536 H CA -0.437 55.482 56.048 -0.216 0.000 1.201 536 H CB 2.226 31.738 29.762 -0.417 0.000 1.681 536 H HN 0.200 nan 8.280 nan 0.000 0.534 537 S N 2.470 118.102 115.700 -0.112 0.000 2.571 537 S HA 0.632 5.102 4.470 -0.000 0.000 0.284 537 S C -0.840 173.734 174.600 -0.043 0.000 1.128 537 S CA -1.027 57.077 58.200 -0.161 0.000 0.970 537 S CB 2.325 65.507 63.200 -0.030 0.000 1.039 537 S HN 0.640 nan 8.310 nan 0.000 0.485 538 R N 1.994 122.445 120.500 -0.082 0.000 2.698 538 R HA 0.620 4.960 4.340 -0.000 0.000 0.275 538 R C -2.004 174.310 176.300 0.023 0.000 1.001 538 R CA -0.785 55.350 56.100 0.058 0.000 0.896 538 R CB 1.100 31.445 30.300 0.076 0.000 1.218 538 R HN 0.676 nan 8.270 nan 0.000 0.462 539 L N 3.596 124.876 121.223 0.094 0.000 2.287 539 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 539 L C -0.899 176.051 176.870 0.133 0.000 1.022 539 L CA -0.732 54.167 54.840 0.099 0.000 0.814 539 L CB 1.464 43.610 42.059 0.146 0.000 1.217 539 L HN 0.692 nan 8.230 nan 0.000 0.420 540 H N 2.147 121.219 119.070 0.004 0.000 3.087 540 H HA 0.625 5.181 4.556 -0.000 0.000 0.348 540 H C -0.780 174.602 175.328 0.090 0.000 1.092 540 H CA -0.349 55.698 56.048 -0.002 0.000 1.285 540 H CB 1.720 31.454 29.762 -0.047 0.000 1.875 540 H HN 0.598 nan 8.280 nan 0.000 0.512 541 G N 1.553 110.083 108.800 -0.450 0.000 2.932 541 G HA2 0.406 4.366 3.960 -0.000 0.000 0.283 541 G HA3 0.406 4.366 3.960 -0.000 0.000 0.283 541 G C -0.221 174.506 174.900 -0.290 0.000 1.336 541 G CA -0.206 44.722 45.100 -0.287 0.000 1.056 541 G HN 0.589 nan 8.290 nan 0.000 0.522 542 S N -0.877 114.658 115.700 -0.276 0.000 2.346 542 S HA 0.083 4.553 4.470 -0.000 0.000 0.204 542 S C 1.721 176.276 174.600 -0.075 0.000 1.008 542 S CA 0.506 58.544 58.200 -0.270 0.000 0.925 542 S CB -0.055 62.756 63.200 -0.647 0.000 0.903 542 S HN 0.477 nan 8.310 nan 0.000 0.537 543 K N 0.537 120.861 120.400 -0.126 0.000 2.397 543 K HA 0.392 4.712 4.320 -0.000 0.000 0.202 543 K C -0.336 176.221 176.600 -0.073 0.000 1.022 543 K CA 0.094 56.331 56.287 -0.083 0.000 1.141 543 K CB 0.791 33.243 32.500 -0.080 0.000 0.857 543 K HN 0.043 nan 8.250 nan 0.000 0.514 544 S N -0.182 115.453 115.700 -0.108 0.000 2.543 544 S HA 0.265 4.735 4.470 -0.000 0.000 0.274 544 S C -1.555 172.930 174.600 -0.191 0.000 1.149 544 S CA -0.807 57.333 58.200 -0.101 0.000 0.866 544 S CB 0.550 63.681 63.200 -0.116 0.000 1.111 544 S HN 0.149 nan 8.310 nan 0.000 0.457 545 Y N 2.265 122.335 120.300 -0.384 0.000 2.721 545 Y HA 0.151 4.701 4.550 -0.000 0.000 0.329 545 Y C 1.660 177.314 175.900 -0.410 0.000 1.211 545 Y CA 0.229 58.010 58.100 -0.532 0.000 1.512 545 Y CB 0.445 38.156 38.460 -1.250 0.000 1.249 545 Y HN 0.404 nan 8.280 nan 0.000 0.549 546 R N 3.149 123.565 120.500 -0.141 0.000 3.298 546 R HA 0.081 4.421 4.340 -0.000 0.000 0.249 546 R C -0.768 175.537 176.300 0.008 0.000 1.563 546 R CA -0.194 55.892 56.100 -0.023 0.000 1.378 546 R CB -1.440 28.923 30.300 0.105 0.000 1.250 546 R HN 0.491 nan 8.270 nan 0.000 0.580 547 V N -0.997 118.766 119.914 -0.251 0.000 2.686 547 V HA 0.226 4.346 4.120 -0.000 0.000 0.295 547 V C -1.252 174.608 176.094 -0.390 0.000 1.055 547 V CA -1.445 60.592 62.300 -0.439 0.000 1.050 547 V CB 1.199 32.288 31.823 -1.225 0.000 0.984 547 V HN 0.036 nan 8.190 nan 0.000 0.482 548 P HA -0.058 nan 4.420 nan 0.000 0.221 548 P C 1.298 178.703 177.300 0.175 0.000 1.150 548 P CA 1.458 64.703 63.100 0.243 0.000 0.800 548 P CB -0.109 31.872 31.700 0.468 0.000 0.787 549 W N 0.098 121.475 121.300 0.129 0.000 2.721 549 W HA 0.340 5.000 4.660 -0.000 0.000 0.245 549 W C 1.742 178.245 176.519 -0.027 0.000 1.276 549 W CA 0.487 57.873 57.345 0.068 0.000 1.342 549 W CB -1.626 27.874 29.460 0.067 0.000 1.135 549 W HN -0.119 nan 8.180 nan 0.000 0.654 550 A N 0.295 122.867 122.820 -0.413 0.000 2.019 550 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 550 A C 1.457 178.708 177.584 -0.555 0.000 1.164 550 A CA 1.369 53.097 52.037 -0.515 0.000 0.644 550 A CB -0.837 17.693 19.000 -0.782 0.000 0.805 550 A HN 0.546 nan 8.150 nan 0.000 0.449 551 Y N 0.129 120.344 120.300 -0.142 0.000 2.226 551 Y HA 0.296 4.846 4.550 -0.000 0.000 0.281 551 Y C 0.568 176.471 175.900 0.005 0.000 1.107 551 Y CA 0.424 58.462 58.100 -0.102 0.000 1.109 551 Y CB 0.171 38.517 38.460 -0.190 0.000 1.047 551 Y HN 0.503 nan 8.280 nan 0.000 0.494 552 D N -3.277 117.256 120.400 0.223 0.000 2.764 552 D HA 0.074 4.714 4.640 -0.000 0.000 0.293 552 D C -0.516 175.904 176.300 0.199 0.000 1.287 552 D CA -0.502 53.604 54.000 0.177 0.000 0.768 552 D CB 0.066 40.952 40.800 0.143 0.000 1.288 552 D HN -0.151 nan 8.370 nan 0.000 0.426 553 D N -0.332 120.169 120.400 0.168 0.000 2.178 553 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 553 D C 1.410 177.816 176.300 0.178 0.000 0.980 553 D CA 1.212 55.313 54.000 0.168 0.000 0.842 553 D CB 0.170 41.046 40.800 0.127 0.000 0.948 553 D HN 0.655 nan 8.370 nan 0.000 0.472 554 E N 0.281 120.580 120.200 0.164 0.000 2.150 554 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 554 E C 1.842 178.559 176.600 0.195 0.000 0.985 554 E CA 0.768 57.269 56.400 0.169 0.000 0.814 554 E CB 0.175 29.969 29.700 0.157 0.000 0.752 554 E HN -0.024 nan 8.360 nan 0.000 0.466 555 S N -0.032 115.791 115.700 0.204 0.000 2.370 555 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 555 S C 2.053 176.856 174.600 0.338 0.000 1.033 555 S CA 1.216 59.586 58.200 0.284 0.000 1.011 555 S CB -0.360 63.042 63.200 0.337 0.000 0.852 555 S HN 0.487 nan 8.310 nan 0.000 0.457 556 C N 1.717 121.206 119.300 0.316 0.000 2.429 556 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 556 C C 2.418 177.565 174.990 0.262 0.000 1.262 556 C CA 0.307 59.514 59.018 0.315 0.000 1.733 556 C CB -1.288 26.630 27.740 0.296 0.000 2.010 556 C HN 0.543 nan 8.230 nan 0.000 0.483 557 D N 0.782 121.319 120.400 0.228 0.000 2.117 557 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 557 D C 2.199 178.647 176.300 0.247 0.000 0.987 557 D CA 1.072 55.194 54.000 0.204 0.000 0.829 557 D CB -0.507 40.394 40.800 0.168 0.000 0.961 557 D HN 0.286 nan 8.370 nan 0.000 0.460 558 V N 0.612 120.701 119.914 0.291 0.000 2.295 558 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 558 V C 2.656 179.032 176.094 0.469 0.000 1.049 558 V CA 1.040 63.583 62.300 0.404 0.000 1.024 558 V CB -0.423 31.641 31.823 0.402 0.000 0.648 558 V HN 0.056 nan 8.190 nan 0.000 0.447 559 V N -0.105 120.025 119.914 0.361 0.000 2.295 559 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 559 V C 2.595 178.861 176.094 0.288 0.000 1.049 559 V CA 2.426 64.919 62.300 0.322 0.000 1.024 559 V CB -0.755 31.247 31.823 0.299 0.000 0.648 559 V HN 0.493 nan 8.190 nan 0.000 0.447 560 R N -0.731 119.917 120.500 0.246 0.000 2.080 560 R HA -0.230 4.110 4.340 -0.000 0.000 0.236 560 R C 2.330 178.699 176.300 0.116 0.000 1.137 560 R CA 2.374 58.577 56.100 0.172 0.000 0.943 560 R CB -0.523 29.870 30.300 0.156 0.000 0.846 560 R HN 0.478 nan 8.270 nan 0.000 0.431 561 F N 0.280 120.207 119.950 -0.038 0.000 2.095 561 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 561 F C 1.653 177.240 175.800 -0.354 0.000 1.104 561 F CA 1.718 59.553 58.000 -0.275 0.000 1.232 561 F CB -0.227 38.483 39.000 -0.483 0.000 0.987 561 F HN -0.006 nan 8.300 nan 0.000 0.475 562 F N -0.316 119.715 119.950 0.136 0.000 2.416 562 F HA -0.054 4.473 4.527 -0.000 0.000 0.296 562 F C 2.433 178.243 175.800 0.018 0.000 1.099 562 F CA 1.367 59.404 58.000 0.061 0.000 1.427 562 F CB -1.172 37.949 39.000 0.200 0.000 1.079 562 F HN -0.172 nan 8.300 nan 0.000 0.536 563 T N -0.508 114.166 114.554 0.199 0.000 2.737 563 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 563 T C 1.926 176.677 174.700 0.086 0.000 1.038 563 T CA 1.400 63.606 62.100 0.177 0.000 1.144 563 T CB -0.362 68.632 68.868 0.209 0.000 0.866 563 T HN 0.262 nan 8.240 nan 0.000 0.434 564 Q N 0.245 120.032 119.800 -0.022 0.000 2.077 564 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 564 Q C 2.357 178.256 176.000 -0.169 0.000 0.989 564 Q CA 1.334 57.072 55.803 -0.107 0.000 0.853 564 Q CB -0.423 28.197 28.738 -0.196 0.000 0.907 564 Q HN 0.316 nan 8.270 nan 0.000 0.418 565 L N 1.257 122.290 121.223 -0.316 0.000 1.989 565 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 565 L C 2.222 179.057 176.870 -0.058 0.000 1.071 565 L CA 1.982 56.638 54.840 -0.307 0.000 0.749 565 L CB -0.499 41.249 42.059 -0.517 0.000 0.890 565 L HN 0.039 nan 8.230 nan 0.000 0.431 566 K N -1.178 119.249 120.400 0.046 0.000 2.063 566 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 566 K C 2.161 178.838 176.600 0.128 0.000 1.048 566 K CA 1.937 58.301 56.287 0.129 0.000 0.928 566 K CB -0.419 32.192 32.500 0.186 0.000 0.713 566 K HN 0.547 nan 8.250 nan 0.000 0.442 567 C N 0.736 120.112 119.300 0.127 0.000 2.398 567 C HA -0.086 4.374 4.460 -0.000 0.000 0.276 567 C C 2.581 177.704 174.990 0.221 0.000 1.222 567 C CA 0.840 59.966 59.018 0.179 0.000 1.746 567 C CB -0.932 26.885 27.740 0.128 0.000 2.039 567 C HN 0.508 nan 8.230 nan 0.000 0.470 568 R N 0.135 120.697 120.500 0.102 0.000 2.148 568 R HA -0.020 4.320 4.340 -0.000 0.000 0.227 568 R C 1.872 178.247 176.300 0.125 0.000 1.103 568 R CA 1.086 57.251 56.100 0.108 0.000 0.983 568 R CB -0.281 30.017 30.300 -0.003 0.000 0.874 568 R HN 0.596 nan 8.270 nan 0.000 0.451 569 M N -0.122 119.537 119.600 0.098 0.000 2.618 569 M HA 0.024 4.504 4.480 -0.000 0.000 0.240 569 M C 1.573 177.896 176.300 0.037 0.000 1.123 569 M CA 0.419 55.782 55.300 0.104 0.000 1.060 569 M CB 0.141 32.829 32.600 0.146 0.000 1.535 569 M HN 0.023 nan 8.290 nan 0.000 0.507 570 M N 0.320 119.900 119.600 -0.034 0.000 2.202 570 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 570 M C -0.708 175.145 176.300 -0.745 0.000 1.063 570 M CA 1.681 56.766 55.300 -0.359 0.000 1.097 570 M CB -2.103 30.338 32.600 -0.265 0.000 1.382 570 M HN 0.004 nan 8.290 nan 0.000 0.413 571 P HA -0.171 nan 4.420 nan 0.000 0.217 571 P C 1.524 178.687 177.300 -0.228 0.000 1.150 571 P CA 1.183 64.004 63.100 -0.466 0.000 0.832 571 P CB -0.330 31.291 31.700 -0.131 0.000 0.787 572 Y N 0.171 120.347 120.300 -0.206 0.000 2.153 572 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 572 Y C 1.994 177.799 175.900 -0.158 0.000 1.127 572 Y CA 1.249 59.277 58.100 -0.121 0.000 1.131 572 Y CB -1.162 37.267 38.460 -0.052 0.000 0.995 572 Y HN -0.275 nan 8.280 nan 0.000 0.505 573 L N -0.296 120.733 121.223 -0.323 0.000 1.989 573 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 573 L C 2.320 178.913 176.870 -0.462 0.000 1.071 573 L CA 1.908 56.505 54.840 -0.406 0.000 0.749 573 L CB -1.916 40.015 42.059 -0.214 0.000 0.890 573 L HN 0.387 nan 8.230 nan 0.000 0.431 574 Y N 0.097 119.963 120.300 -0.723 0.000 2.333 574 Y HA -0.254 4.296 4.550 -0.000 0.000 0.290 574 Y C 2.742 178.388 175.900 -0.423 0.000 1.144 574 Y CA 1.532 59.204 58.100 -0.714 0.000 1.228 574 Y CB -0.096 37.726 38.460 -1.064 0.000 0.985 574 Y HN 0.132 nan 8.280 nan 0.000 0.542 575 R N 0.615 120.916 120.500 -0.331 0.000 2.090 575 R HA -0.077 4.263 4.340 -0.000 0.000 0.228 575 R C 1.767 177.910 176.300 -0.262 0.000 1.110 575 R CA 1.703 57.660 56.100 -0.237 0.000 0.973 575 R CB -0.349 29.854 30.300 -0.162 0.000 0.869 575 R HN 0.158 nan 8.270 nan 0.000 0.440 576 E N 0.388 120.373 120.200 -0.357 0.000 2.208 576 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 576 E C 1.834 178.316 176.600 -0.196 0.000 0.988 576 E CA 1.154 57.374 56.400 -0.300 0.000 0.828 576 E CB -0.323 29.127 29.700 -0.417 0.000 0.763 576 E HN 0.448 nan 8.360 nan 0.000 0.478 577 A N 1.716 124.432 122.820 -0.173 0.000 1.902 577 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 577 A C 2.445 180.006 177.584 -0.039 0.000 1.181 577 A CA 1.971 54.031 52.037 0.038 0.000 0.623 577 A CB -0.603 18.399 19.000 0.002 0.000 0.818 577 A HN 0.265 nan 8.150 nan 0.000 0.443 578 A N -0.593 122.095 122.820 -0.219 0.000 1.978 578 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 578 A C 2.202 179.730 177.584 -0.093 0.000 1.170 578 A CA 1.722 53.670 52.037 -0.148 0.000 0.636 578 A CB -0.459 18.448 19.000 -0.154 0.000 0.810 578 A HN 0.539 nan 8.150 nan 0.000 0.448 579 R N -0.597 119.834 120.500 -0.115 0.000 2.081 579 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 579 R C 2.443 178.673 176.300 -0.117 0.000 1.131 579 R CA 1.335 57.369 56.100 -0.110 0.000 0.960 579 R CB -0.405 29.820 30.300 -0.125 0.000 0.856 579 R HN 0.503 nan 8.270 nan 0.000 0.436 580 A N 1.223 123.955 122.820 -0.148 0.000 1.883 580 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 580 A C 1.957 179.476 177.584 -0.109 0.000 1.186 580 A CA 1.878 53.790 52.037 -0.209 0.000 0.624 580 A CB -0.999 17.706 19.000 -0.492 0.000 0.822 580 A HN 0.562 nan 8.150 nan 0.000 0.444 581 N N 0.200 118.896 118.700 -0.008 0.000 2.120 581 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 581 N C 1.815 177.298 175.510 -0.045 0.000 1.024 581 N CA 1.608 54.663 53.050 0.009 0.000 0.852 581 N CB -0.206 38.313 38.487 0.054 0.000 1.003 581 N HN 0.378 nan 8.380 nan 0.000 0.424 582 A N 0.271 123.059 122.820 -0.055 0.000 2.021 582 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 582 A C 2.020 179.561 177.584 -0.072 0.000 1.163 582 A CA 0.515 52.517 52.037 -0.057 0.000 0.676 582 A CB 0.098 19.068 19.000 -0.049 0.000 0.818 582 A HN 0.277 nan 8.150 nan 0.000 0.453 583 R N -2.174 118.275 120.500 -0.086 0.000 2.531 583 R HA 0.227 4.567 4.340 -0.000 0.000 0.316 583 R C 0.916 177.152 176.300 -0.107 0.000 0.955 583 R CA 0.514 56.560 56.100 -0.089 0.000 1.120 583 R CB 0.603 30.854 30.300 -0.082 0.000 1.361 583 R HN 0.601 nan 8.270 nan 0.000 0.534 584 G N 1.692 110.414 108.800 -0.129 0.000 2.187 584 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 584 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 584 G C 0.098 174.904 174.900 -0.156 0.000 1.000 584 G CA 0.851 45.858 45.100 -0.155 0.000 0.718 584 G HN 0.258 nan 8.290 nan 0.000 0.519 585 T N 3.460 117.924 114.554 -0.151 0.000 2.727 585 T HA 0.484 4.834 4.350 -0.000 0.000 0.295 585 T C -1.637 172.949 174.700 -0.190 0.000 0.915 585 T CA -0.592 61.421 62.100 -0.146 0.000 1.066 585 T CB 1.993 70.787 68.868 -0.123 0.000 0.891 585 T HN 0.296 nan 8.240 nan 0.000 0.516 586 P HA 0.172 nan 4.420 nan 0.000 0.272 586 P C 0.828 178.018 177.300 -0.184 0.000 1.223 586 P CA -0.404 62.558 63.100 -0.231 0.000 0.784 586 P CB 0.864 32.466 31.700 -0.163 0.000 0.923 587 M N 0.675 120.150 119.600 -0.208 0.000 2.132 587 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 587 M C 1.463 177.795 176.300 0.053 0.000 1.065 587 M CA 1.800 57.065 55.300 -0.058 0.000 1.122 587 M CB -0.166 32.457 32.600 0.039 0.000 1.365 587 M HN 0.382 nan 8.290 nan 0.000 0.411 588 M N 1.398 121.025 119.600 0.045 0.000 2.063 588 M HA 0.268 4.748 4.480 -0.000 0.000 0.348 588 M C -1.021 175.278 176.300 -0.002 0.000 1.180 588 M CA 0.003 55.337 55.300 0.057 0.000 1.059 588 M CB 0.507 33.063 32.600 -0.073 0.000 1.544 588 M HN 0.028 nan 8.290 nan 0.000 0.447 589 R N 3.785 124.340 120.500 0.091 0.000 2.494 589 R HA 0.666 5.006 4.340 -0.000 0.000 0.305 589 R C -0.437 175.905 176.300 0.070 0.000 0.959 589 R CA -0.765 55.354 56.100 0.032 0.000 0.864 589 R CB 1.716 32.029 30.300 0.023 0.000 1.159 589 R HN 0.815 nan 8.270 nan 0.000 0.446 590 A N 3.510 126.323 122.820 -0.011 0.000 2.498 590 A HA 0.037 4.357 4.320 -0.000 0.000 0.239 590 A C 1.319 178.923 177.584 0.032 0.000 1.068 590 A CA -0.214 51.820 52.037 -0.006 0.000 0.766 590 A CB 0.202 19.140 19.000 -0.104 0.000 1.003 590 A HN 0.772 nan 8.150 nan 0.000 0.497 591 M N 1.962 121.613 119.600 0.085 0.000 2.106 591 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 591 M C 2.088 178.476 176.300 0.147 0.000 1.068 591 M CA 2.556 57.958 55.300 0.170 0.000 1.100 591 M CB -1.572 31.102 32.600 0.124 0.000 1.351 591 M HN 1.014 nan 8.290 nan 0.000 0.404 592 M N -0.997 118.599 119.600 -0.007 0.000 2.149 592 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 592 M C 2.140 178.369 176.300 -0.118 0.000 1.064 592 M CA 1.892 57.138 55.300 -0.090 0.000 1.102 592 M CB -0.965 31.459 32.600 -0.293 0.000 1.369 592 M HN 0.235 nan 8.290 nan 0.000 0.408 593 M N -0.358 119.150 119.600 -0.153 0.000 2.175 593 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 593 M C 1.930 178.153 176.300 -0.130 0.000 1.063 593 M CA 2.043 57.252 55.300 -0.153 0.000 1.119 593 M CB -0.081 32.428 32.600 -0.151 0.000 1.377 593 M HN 0.503 nan 8.290 nan 0.000 0.415 594 E N -0.130 120.003 120.200 -0.111 0.000 2.170 594 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 594 E C -0.276 175.969 176.600 -0.592 0.000 0.981 594 E CA 0.996 57.197 56.400 -0.332 0.000 0.830 594 E CB 0.198 29.702 29.700 -0.326 0.000 0.775 594 E HN 0.492 nan 8.360 nan 0.000 0.470 595 F N 0.729 120.689 119.950 0.016 0.000 2.530 595 F HA 0.334 4.861 4.527 -0.000 0.000 0.318 595 F C -1.790 174.011 175.800 0.000 0.000 1.356 595 F CA -1.888 56.133 58.000 0.034 0.000 1.135 595 F CB 1.586 40.637 39.000 0.086 0.000 1.315 595 F HN 0.004 nan 8.300 nan 0.000 0.549 596 P HA -0.105 nan 4.420 nan 0.000 0.226 596 P C 0.430 177.758 177.300 0.046 0.000 1.153 596 P CA 1.252 64.362 63.100 0.017 0.000 0.777 596 P CB 0.415 32.096 31.700 -0.032 0.000 0.794 597 D N -0.610 119.840 120.400 0.083 0.000 2.328 597 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 597 D C 0.156 176.512 176.300 0.094 0.000 1.072 597 D CA 0.464 54.510 54.000 0.077 0.000 0.850 597 D CB -0.047 40.798 40.800 0.074 0.000 0.922 597 D HN 0.146 nan 8.370 nan 0.000 0.516 598 D N 1.310 121.783 120.400 0.122 0.000 2.412 598 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 598 D C -1.619 174.698 176.300 0.029 0.000 1.093 598 D CA -2.104 51.956 54.000 0.100 0.000 0.850 598 D CB 1.941 42.832 40.800 0.152 0.000 1.046 598 D HN -0.079 nan 8.370 nan 0.000 0.507 599 P HA -0.016 nan 4.420 nan 0.000 0.234 599 P C 0.836 178.113 177.300 -0.038 0.000 1.167 599 P CA 0.308 63.410 63.100 0.005 0.000 0.763 599 P CB 0.257 31.970 31.700 0.021 0.000 0.835 600 A N -0.964 121.768 122.820 -0.147 0.000 2.119 600 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 600 A C 1.992 179.365 177.584 -0.351 0.000 1.152 600 A CA 0.757 52.581 52.037 -0.354 0.000 0.708 600 A CB -1.287 17.162 19.000 -0.918 0.000 0.805 600 A HN 0.251 nan 8.150 nan 0.000 0.460 601 C N -0.261 118.923 119.300 -0.193 0.000 2.697 601 C HA 0.107 4.567 4.460 -0.000 0.000 0.267 601 C C 1.707 176.687 174.990 -0.016 0.000 1.278 601 C CA -0.121 58.840 59.018 -0.095 0.000 1.708 601 C CB -0.934 26.811 27.740 0.009 0.000 1.860 601 C HN 0.538 nan 8.230 nan 0.000 0.589 602 D N 0.597 120.993 120.400 -0.007 0.000 2.117 602 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 602 D C 1.019 177.212 176.300 -0.177 0.000 0.982 602 D CA 1.541 55.489 54.000 -0.087 0.000 0.828 602 D CB -0.076 40.629 40.800 -0.158 0.000 0.967 602 D HN 0.561 nan 8.370 nan 0.000 0.464 603 Y N -0.132 120.207 120.300 0.066 0.000 2.555 603 Y HA 0.297 4.847 4.550 -0.000 0.000 0.259 603 Y C 0.376 176.313 175.900 0.062 0.000 1.179 603 Y CA -0.344 57.790 58.100 0.056 0.000 1.230 603 Y CB 0.234 38.705 38.460 0.018 0.000 1.146 603 Y HN -0.222 nan 8.280 nan 0.000 0.526 604 L N 2.353 123.674 121.223 0.164 0.000 2.360 604 L HA 0.130 4.470 4.340 -0.000 0.000 0.276 604 L C 0.384 177.315 176.870 0.100 0.000 1.121 604 L CA 0.190 55.106 54.840 0.128 0.000 0.845 604 L CB 0.652 42.744 42.059 0.054 0.000 1.143 604 L HN 0.288 nan 8.230 nan 0.000 0.452 605 D N 1.238 121.692 120.400 0.090 0.000 2.516 605 D HA 0.000 4.640 4.640 -0.000 0.000 0.241 605 D C 1.073 177.390 176.300 0.028 0.000 1.246 605 D CA -0.157 53.870 54.000 0.046 0.000 0.808 605 D CB 0.343 41.157 40.800 0.024 0.000 1.147 605 D HN 0.395 nan 8.370 nan 0.000 0.527 606 R N 0.463 121.002 120.500 0.065 0.000 2.472 606 R HA 0.234 4.574 4.340 -0.000 0.000 0.279 606 R C 0.265 176.672 176.300 0.179 0.000 0.953 606 R CA 0.050 56.216 56.100 0.109 0.000 1.088 606 R CB 0.651 31.005 30.300 0.090 0.000 1.197 606 R HN 0.383 nan 8.270 nan 0.000 0.536 607 Q N -0.122 119.760 119.800 0.137 0.000 2.590 607 Q HA 0.457 4.797 4.340 -0.000 0.000 0.295 607 Q C -1.380 174.733 176.000 0.187 0.000 0.973 607 Q CA -1.206 54.643 55.803 0.077 0.000 0.768 607 Q CB 1.611 30.326 28.738 -0.040 0.000 1.479 607 Q HN 0.080 nan 8.270 nan 0.000 0.419 608 Y N -2.038 118.257 120.300 -0.008 0.000 2.725 608 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 608 Y C -1.512 174.426 175.900 0.063 0.000 1.242 608 Y CA -1.613 56.503 58.100 0.026 0.000 1.059 608 Y CB 1.340 39.818 38.460 0.030 0.000 1.306 608 Y HN 0.505 nan 8.280 nan 0.000 0.454 609 M N 2.862 122.611 119.600 0.249 0.000 2.205 609 M HA 0.334 4.814 4.480 -0.000 0.000 0.344 609 M C -1.273 175.205 176.300 0.297 0.000 1.085 609 M CA -0.750 54.673 55.300 0.204 0.000 1.001 609 M CB 1.438 34.167 32.600 0.215 0.000 1.626 609 M HN 0.745 nan 8.290 nan 0.000 0.442 610 L N 4.232 125.614 121.223 0.266 0.000 2.302 610 L HA 0.604 4.944 4.340 -0.000 0.000 0.285 610 L C 0.589 177.629 176.870 0.284 0.000 1.090 610 L CA 0.835 55.867 54.840 0.321 0.000 0.866 610 L CB -0.267 42.003 42.059 0.351 0.000 1.244 610 L HN 0.959 nan 8.230 nan 0.000 0.435 611 G N 3.857 112.752 108.800 0.159 0.000 2.750 611 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.228 611 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.228 611 G C 0.382 175.374 174.900 0.152 0.000 1.367 611 G CA -0.007 45.136 45.100 0.073 0.000 0.871 611 G HN 0.521 nan 8.290 nan 0.000 0.560 612 D N 0.396 120.876 120.400 0.133 0.000 2.144 612 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 612 D C 2.032 178.408 176.300 0.127 0.000 0.984 612 D CA 1.663 55.716 54.000 0.088 0.000 0.834 612 D CB -0.011 40.826 40.800 0.062 0.000 0.955 612 D HN 0.365 nan 8.370 nan 0.000 0.465 613 N N -0.588 118.239 118.700 0.211 0.000 2.171 613 N HA 0.070 4.810 4.740 -0.000 0.000 0.212 613 N C -0.596 174.933 175.510 0.031 0.000 1.184 613 N CA 0.094 53.175 53.050 0.052 0.000 0.888 613 N CB 2.241 40.687 38.487 -0.067 0.000 1.038 613 N HN -0.036 nan 8.380 nan 0.000 0.517 614 V N 2.050 122.040 119.914 0.127 0.000 2.525 614 V HA 0.360 4.480 4.120 -0.000 0.000 0.299 614 V C -0.302 175.865 176.094 0.120 0.000 1.034 614 V CA -0.707 61.637 62.300 0.073 0.000 0.863 614 V CB 2.609 34.417 31.823 -0.025 0.000 0.999 614 V HN 0.074 nan 8.190 nan 0.000 0.423 615 M N 5.969 125.631 119.600 0.102 0.000 2.157 615 M HA 0.572 5.052 4.480 -0.000 0.000 0.354 615 M C -1.144 175.003 176.300 -0.254 0.000 1.170 615 M CA -0.283 54.967 55.300 -0.085 0.000 1.060 615 M CB 1.288 33.752 32.600 -0.227 0.000 1.615 615 M HN 0.601 nan 8.290 nan 0.000 0.460 616 V N 5.487 125.126 119.914 -0.458 0.000 2.495 616 V HA 0.881 5.001 4.120 -0.000 0.000 0.298 616 V C -1.010 174.725 176.094 -0.599 0.000 1.031 616 V CA -0.351 61.614 62.300 -0.559 0.000 0.871 616 V CB 1.500 33.033 31.823 -0.483 0.000 0.988 616 V HN 0.968 nan 8.190 nan 0.000 0.432 617 A N 7.971 130.532 122.820 -0.432 0.000 2.431 617 A HA 0.843 5.163 4.320 -0.000 0.000 0.318 617 A C -2.756 174.658 177.584 -0.283 0.000 1.330 617 A CA -1.741 50.114 52.037 -0.303 0.000 0.804 617 A CB 0.718 19.528 19.000 -0.316 0.000 1.135 617 A HN 0.742 nan 8.150 nan 0.000 0.483 618 P HA 0.142 nan 4.420 nan 0.000 0.268 618 P C -0.307 176.648 177.300 -0.575 0.000 1.208 618 P CA 0.091 62.900 63.100 -0.485 0.000 0.777 618 P CB 0.703 31.915 31.700 -0.815 0.000 0.875 619 V N 3.656 123.259 119.914 -0.519 0.000 2.364 619 V HA 0.196 4.315 4.120 -0.000 0.000 0.272 619 V C 0.287 176.072 176.094 -0.515 0.000 1.036 619 V CA 0.177 62.260 62.300 -0.363 0.000 0.880 619 V CB 0.042 31.767 31.823 -0.162 0.000 0.991 619 V HN 0.425 nan 8.190 nan 0.000 0.460 620 F N 2.825 122.626 119.950 -0.248 0.000 2.837 620 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 620 F C 1.047 176.279 175.800 -0.947 0.000 1.161 620 F CA -0.280 57.411 58.000 -0.515 0.000 1.353 620 F CB 0.500 39.350 39.000 -0.250 0.000 0.951 620 F HN 0.564 nan 8.300 nan 0.000 0.508 621 T N -4.738 109.458 114.554 -0.598 0.000 2.916 621 T HA 0.265 4.615 4.350 -0.000 0.000 0.305 621 T C 0.703 175.366 174.700 -0.062 0.000 1.119 621 T CA -0.714 61.169 62.100 -0.361 0.000 1.008 621 T CB 2.303 71.109 68.868 -0.105 0.000 1.129 621 T HN 0.179 nan 8.240 nan 0.000 0.480 622 E N 1.454 121.762 120.200 0.181 0.000 2.051 622 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 622 E C 2.251 178.872 176.600 0.036 0.000 0.991 622 E CA 1.390 57.928 56.400 0.231 0.000 0.799 622 E CB -0.427 29.169 29.700 -0.174 0.000 0.748 622 E HN 0.829 nan 8.360 nan 0.000 0.449 623 A N -0.102 122.713 122.820 -0.009 0.000 2.070 623 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 623 A C 1.911 179.440 177.584 -0.092 0.000 1.159 623 A CA 1.642 53.652 52.037 -0.045 0.000 0.656 623 A CB -0.646 18.344 19.000 -0.016 0.000 0.800 623 A HN 0.591 nan 8.150 nan 0.000 0.453 624 G N -1.244 107.503 108.800 -0.088 0.000 2.176 624 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 624 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 624 G C -0.310 174.605 174.900 0.026 0.000 0.986 624 G CA 0.117 45.178 45.100 -0.064 0.000 0.643 624 G HN 0.506 nan 8.290 nan 0.000 0.522 625 D N 0.268 120.679 120.400 0.017 0.000 2.424 625 D HA 0.445 5.085 4.640 -0.000 0.000 0.244 625 D C 0.011 176.364 176.300 0.089 0.000 1.134 625 D CA 0.834 54.867 54.000 0.055 0.000 0.881 625 D CB 2.253 43.072 40.800 0.031 0.000 1.191 625 D HN 0.460 nan 8.370 nan 0.000 0.445 626 V N 2.221 122.227 119.914 0.153 0.000 3.000 626 V HA 0.202 4.322 4.120 -0.000 0.000 0.300 626 V C -1.727 174.542 176.094 0.290 0.000 1.251 626 V CA -0.589 61.838 62.300 0.212 0.000 0.972 626 V CB 2.319 34.261 31.823 0.198 0.000 1.065 626 V HN 0.471 nan 8.190 nan 0.000 0.431 627 Q N 5.141 125.134 119.800 0.321 0.000 2.353 627 Q HA 0.770 5.110 4.340 -0.000 0.000 0.268 627 Q C -1.518 174.780 176.000 0.496 0.000 1.045 627 Q CA -0.502 55.517 55.803 0.359 0.000 0.811 627 Q CB 2.771 31.695 28.738 0.310 0.000 1.305 627 Q HN 0.734 nan 8.270 nan 0.000 0.447 628 F N -1.068 118.999 119.950 0.195 0.000 2.668 628 F HA 0.576 5.103 4.527 -0.000 0.000 0.309 628 F C -1.844 173.582 175.800 -0.623 0.000 1.117 628 F CA -1.377 56.482 58.000 -0.234 0.000 0.951 628 F CB 1.030 39.909 39.000 -0.202 0.000 1.323 628 F HN 0.469 nan 8.300 nan 0.000 0.451 629 Y N 2.595 122.234 120.300 -1.101 0.000 2.342 629 Y HA 0.753 5.303 4.550 -0.000 0.000 0.334 629 Y C -1.767 173.729 175.900 -0.675 0.000 1.067 629 Y CA -1.291 56.086 58.100 -1.204 0.000 1.128 629 Y CB 1.539 39.124 38.460 -1.458 0.000 1.200 629 Y HN 0.750 nan 8.280 nan 0.000 0.464 630 L N 9.288 129.615 121.223 -1.493 0.000 2.325 630 L HA 0.576 4.916 4.340 -0.000 0.000 0.281 630 L C -2.299 173.689 176.870 -1.470 0.000 1.004 630 L CA -2.737 51.296 54.840 -1.345 0.000 0.823 630 L CB 1.409 42.843 42.059 -1.042 0.000 1.236 630 L HN 0.572 nan 8.230 nan 0.000 0.415 631 P HA 0.047 nan 4.420 nan 0.000 0.282 631 P C -0.467 176.818 177.300 -0.024 0.000 1.286 631 P CA -0.497 62.330 63.100 -0.454 0.000 0.777 631 P CB 0.434 31.634 31.700 -0.834 0.000 1.184 632 E N -0.338 119.902 120.200 0.067 0.000 2.414 632 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 632 E C 0.189 176.884 176.600 0.157 0.000 1.000 632 E CA 0.504 56.976 56.400 0.120 0.000 0.914 632 E CB -0.348 29.417 29.700 0.108 0.000 0.948 632 E HN 0.669 nan 8.360 nan 0.000 0.444 633 G N 2.999 111.862 108.800 0.106 0.000 2.355 633 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.619 633 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.619 633 G C -1.251 173.660 174.900 0.019 0.000 1.337 633 G CA -0.800 44.274 45.100 -0.044 0.000 0.993 633 G HN 0.571 nan 8.290 nan 0.000 0.599 634 R N -0.162 120.286 120.500 -0.085 0.000 2.215 634 R HA 0.561 4.901 4.340 -0.000 0.000 0.336 634 R C -0.776 175.503 176.300 -0.035 0.000 0.996 634 R CA -0.680 55.435 56.100 0.025 0.000 0.847 634 R CB 0.465 30.779 30.300 0.023 0.000 1.127 634 R HN 0.466 nan 8.270 nan 0.000 0.465 635 W N 2.192 123.480 121.300 -0.021 0.000 2.448 635 W HA 0.382 5.042 4.660 -0.000 0.000 0.339 635 W C -0.114 176.498 176.519 0.156 0.000 1.124 635 W CA -0.297 57.063 57.345 0.024 0.000 1.262 635 W CB 1.930 31.361 29.460 -0.048 0.000 1.251 635 W HN 0.325 nan 8.180 nan 0.000 0.597 636 T N 1.748 116.548 114.554 0.411 0.000 2.841 636 T HA 0.091 4.441 4.350 -0.000 0.000 0.285 636 T C -0.685 174.111 174.700 0.159 0.000 0.991 636 T CA -0.644 61.671 62.100 0.358 0.000 0.966 636 T CB 0.817 69.936 68.868 0.418 0.000 0.962 636 T HN 0.284 nan 8.240 nan 0.000 0.438 637 H N 3.303 122.302 119.070 -0.118 0.000 3.004 637 H HA 0.039 4.595 4.556 -0.000 0.000 0.316 637 H C 1.007 176.132 175.328 -0.338 0.000 1.014 637 H CA -0.251 55.395 56.048 -0.670 0.000 1.454 637 H CB 0.779 30.116 29.762 -0.708 0.000 1.472 637 H HN 0.539 nan 8.280 nan 0.000 0.571 638 L N 6.390 127.219 121.223 -0.658 0.000 2.081 638 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 638 L C 1.688 178.647 176.870 0.147 0.000 1.080 638 L CA 2.283 57.011 54.840 -0.186 0.000 0.754 638 L CB -0.431 41.539 42.059 -0.148 0.000 0.893 638 L HN 0.831 nan 8.230 nan 0.000 0.433 639 W N -4.699 116.667 121.300 0.111 0.000 2.661 639 W HA 0.285 4.945 4.660 -0.000 0.000 0.288 639 W C 1.718 178.292 176.519 0.092 0.000 1.014 639 W CA -0.106 57.289 57.345 0.082 0.000 1.396 639 W CB -0.661 28.818 29.460 0.031 0.000 0.963 639 W HN -0.061 nan 8.180 nan 0.000 0.584 640 H N 1.081 120.044 119.070 -0.178 0.000 2.535 640 H HA 0.053 4.609 4.556 -0.000 0.000 0.273 640 H C 0.796 176.101 175.328 -0.038 0.000 0.983 640 H CA 1.138 57.040 56.048 -0.244 0.000 1.238 640 H CB -0.264 29.088 29.762 -0.683 0.000 1.412 640 H HN 0.186 nan 8.280 nan 0.000 0.562 641 N N 1.213 120.007 118.700 0.156 0.000 2.857 641 N HA -0.174 4.566 4.740 -0.000 0.000 0.242 641 N C -0.592 175.018 175.510 0.167 0.000 0.983 641 N CA 1.096 54.251 53.050 0.175 0.000 0.934 641 N CB -0.955 37.623 38.487 0.151 0.000 1.115 641 N HN 0.676 nan 8.380 nan 0.000 0.593 642 D N 0.196 120.690 120.400 0.156 0.000 2.399 642 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 642 D C -0.106 176.349 176.300 0.259 0.000 1.133 642 D CA 0.380 54.479 54.000 0.165 0.000 0.890 642 D CB 0.835 41.708 40.800 0.122 0.000 1.201 642 D HN 0.324 nan 8.370 nan 0.000 0.432 643 E N 0.541 120.859 120.200 0.195 0.000 2.212 643 E HA 0.629 4.979 4.350 -0.000 0.000 0.270 643 E C -0.550 176.116 176.600 0.109 0.000 0.956 643 E CA -0.906 55.611 56.400 0.196 0.000 0.825 643 E CB 2.267 32.056 29.700 0.148 0.000 1.167 643 E HN 0.357 nan 8.360 nan 0.000 0.400 644 L N 1.593 122.851 121.223 0.059 0.000 2.445 644 L HA 0.373 4.713 4.340 -0.000 0.000 0.262 644 L C -0.940 175.938 176.870 0.013 0.000 0.974 644 L CA -1.083 53.688 54.840 -0.116 0.000 0.822 644 L CB 2.165 43.869 42.059 -0.591 0.000 1.339 644 L HN 0.420 nan 8.230 nan 0.000 0.409 645 D N 1.565 122.003 120.400 0.063 0.000 2.304 645 D HA 0.340 4.980 4.640 -0.000 0.000 0.250 645 D C 0.284 176.661 176.300 0.128 0.000 1.107 645 D CA 0.106 54.172 54.000 0.110 0.000 0.885 645 D CB 2.229 43.078 40.800 0.082 0.000 1.192 645 D HN 0.663 nan 8.370 nan 0.000 0.436 646 G N -0.261 108.615 108.800 0.127 0.000 2.494 646 G HA2 0.257 4.217 3.960 -0.000 0.000 0.270 646 G HA3 0.257 4.217 3.960 -0.000 0.000 0.270 646 G C 0.163 175.017 174.900 -0.078 0.000 1.423 646 G CA -0.361 44.744 45.100 0.009 0.000 1.055 646 G HN 0.485 nan 8.290 nan 0.000 0.536 647 S N -1.585 114.013 115.700 -0.170 0.000 3.533 647 S HA -0.193 4.277 4.470 -0.000 0.000 0.347 647 S C 0.414 174.999 174.600 -0.025 0.000 1.101 647 S CA 1.789 59.958 58.200 -0.053 0.000 1.009 647 S CB -1.492 61.739 63.200 0.051 0.000 0.916 647 S HN 1.158 nan 8.310 nan 0.000 0.496 648 R N -1.995 118.325 120.500 -0.300 0.000 2.747 648 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 648 R C -1.622 174.435 176.300 -0.405 0.000 1.032 648 R CA -1.157 54.849 56.100 -0.157 0.000 0.896 648 R CB 0.343 30.524 30.300 -0.197 0.000 1.253 648 R HN 0.116 nan 8.270 nan 0.000 0.461 649 W N 1.018 122.131 121.300 -0.312 0.000 2.313 649 W HA 0.453 5.113 4.660 -0.000 0.000 0.328 649 W C 0.339 176.398 176.519 -0.767 0.000 1.197 649 W CA 0.401 57.521 57.345 -0.376 0.000 1.235 649 W CB 0.936 30.285 29.460 -0.185 0.000 1.158 649 W HN 0.310 nan 8.180 nan 0.000 0.578 650 H N 1.934 120.724 119.070 -0.468 0.000 2.865 650 H HA 0.394 4.950 4.556 -0.000 0.000 0.372 650 H C -0.820 174.251 175.328 -0.429 0.000 1.173 650 H CA -1.031 54.683 56.048 -0.557 0.000 1.147 650 H CB 2.521 31.717 29.762 -0.942 0.000 1.805 650 H HN 0.083 nan 8.280 nan 0.000 0.553 651 K N 2.068 122.431 120.400 -0.062 0.000 2.443 651 K HA 0.347 4.667 4.320 -0.000 0.000 0.252 651 K C -1.172 175.493 176.600 0.108 0.000 0.933 651 K CA -0.376 55.937 56.287 0.043 0.000 0.792 651 K CB 2.185 34.699 32.500 0.022 0.000 1.185 651 K HN 0.770 nan 8.250 nan 0.000 0.425 652 Q N 1.563 121.478 119.800 0.191 0.000 2.565 652 Q HA 0.294 4.634 4.340 -0.000 0.000 0.294 652 Q C -1.515 174.569 176.000 0.140 0.000 1.005 652 Q CA -0.875 55.034 55.803 0.176 0.000 0.771 652 Q CB 3.031 31.983 28.738 0.357 0.000 1.486 652 Q HN 0.533 nan 8.270 nan 0.000 0.422 653 Q N 0.925 120.727 119.800 0.005 0.000 2.321 653 Q HA 0.369 4.709 4.340 -0.000 0.000 0.270 653 Q C -1.653 174.260 176.000 -0.145 0.000 1.032 653 Q CA -0.369 55.428 55.803 -0.009 0.000 0.784 653 Q CB 1.406 30.121 28.738 -0.038 0.000 1.264 653 Q HN 0.598 nan 8.270 nan 0.000 0.448 654 H N 1.627 120.668 119.070 -0.048 0.000 2.622 654 H HA 0.417 4.973 4.556 -0.000 0.000 0.363 654 H C -0.070 175.182 175.328 -0.127 0.000 1.151 654 H CA -0.446 55.571 56.048 -0.053 0.000 1.184 654 H CB 2.124 31.889 29.762 0.006 0.000 1.643 654 H HN 0.880 nan 8.280 nan 0.000 0.531 655 G N 0.410 109.211 108.800 0.002 0.000 2.588 655 G HA2 0.105 4.065 3.960 -0.000 0.000 0.278 655 G HA3 0.105 4.065 3.960 -0.000 0.000 0.278 655 G C 0.201 175.075 174.900 -0.043 0.000 1.307 655 G CA -0.358 44.684 45.100 -0.096 0.000 1.016 655 G HN 0.484 nan 8.290 nan 0.000 0.503 656 F N -1.075 118.992 119.950 0.194 0.000 2.604 656 F HA 0.149 4.676 4.527 -0.000 0.000 0.298 656 F C 2.109 178.083 175.800 0.289 0.000 1.131 656 F CA 0.445 58.584 58.000 0.231 0.000 1.457 656 F CB -0.009 39.123 39.000 0.219 0.000 1.095 656 F HN 0.045 nan 8.300 nan 0.000 0.574 657 L N -1.306 120.116 121.223 0.332 0.000 2.685 657 L HA 0.191 4.531 4.340 -0.000 0.000 0.233 657 L C 0.498 177.516 176.870 0.247 0.000 1.173 657 L CA 0.114 55.023 54.840 0.115 0.000 0.961 657 L CB -0.151 41.769 42.059 -0.233 0.000 1.217 657 L HN -0.052 nan 8.230 nan 0.000 0.478 658 S N 0.376 116.390 115.700 0.524 0.000 2.556 658 S HA 0.847 5.317 4.470 -0.000 0.000 0.271 658 S C -1.153 173.688 174.600 0.402 0.000 1.135 658 S CA -0.629 57.980 58.200 0.683 0.000 0.858 658 S CB 1.478 65.108 63.200 0.717 0.000 1.114 658 S HN 0.167 nan 8.310 nan 0.000 0.468 659 L N -0.347 120.970 121.223 0.157 0.000 2.838 659 L HA 0.740 5.080 4.340 -0.000 0.000 0.266 659 L C -3.127 173.463 176.870 -0.466 0.000 1.040 659 L CA -2.492 52.082 54.840 -0.443 0.000 0.906 659 L CB 1.550 43.511 42.059 -0.162 0.000 1.501 659 L HN 0.333 nan 8.230 nan 0.000 0.407 660 P HA 0.198 nan 4.420 nan 0.000 0.264 660 P C -0.925 176.125 177.300 -0.416 0.000 1.229 660 P CA 0.116 62.975 63.100 -0.400 0.000 0.780 660 P CB 0.755 31.924 31.700 -0.885 0.000 0.808 661 V N 5.818 125.346 119.914 -0.645 0.000 2.439 661 V HA 0.302 4.421 4.120 -0.000 0.000 0.277 661 V C -0.854 174.700 176.094 -0.900 0.000 1.008 661 V CA -0.524 61.396 62.300 -0.634 0.000 0.846 661 V CB 0.377 31.920 31.823 -0.467 0.000 1.031 661 V HN 0.360 nan 8.190 nan 0.000 0.441 662 Y N 2.485 122.573 120.300 -0.353 0.000 2.364 662 Y HA 0.659 5.208 4.550 -0.000 0.000 0.340 662 Y C 0.135 176.069 175.900 0.055 0.000 0.975 662 Y CA -0.851 57.162 58.100 -0.145 0.000 1.089 662 Y CB 2.307 40.705 38.460 -0.104 0.000 1.192 662 Y HN 0.394 nan 8.280 nan 0.000 0.454 663 V N 4.745 124.654 119.914 -0.009 0.000 2.481 663 V HA 0.435 4.555 4.120 -0.000 0.000 0.286 663 V C 0.148 176.043 176.094 -0.332 0.000 1.042 663 V CA -1.251 60.852 62.300 -0.328 0.000 0.928 663 V CB 1.065 32.216 31.823 -1.120 0.000 0.986 663 V HN 0.714 nan 8.190 nan 0.000 0.462 664 R N 2.231 122.373 120.500 -0.596 0.000 2.738 664 R HA 0.206 4.546 4.340 -0.000 0.000 0.268 664 R C -0.047 175.879 176.300 -0.622 0.000 1.062 664 R CA -0.507 54.923 56.100 -1.117 0.000 1.158 664 R CB 0.244 30.076 30.300 -0.780 0.000 1.046 664 R HN 0.916 nan 8.270 nan 0.000 0.493 665 D N 0.757 120.795 120.400 -0.604 0.000 2.363 665 D HA -0.071 4.569 4.640 -0.000 0.000 0.240 665 D C -0.155 176.017 176.300 -0.214 0.000 1.236 665 D CA -0.420 53.405 54.000 -0.291 0.000 0.927 665 D CB 0.226 40.869 40.800 -0.263 0.000 1.150 665 D HN 0.502 nan 8.370 nan 0.000 0.458 666 N N -1.106 117.519 118.700 -0.125 0.000 2.735 666 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 666 N C -0.954 174.541 175.510 -0.026 0.000 1.083 666 N CA 1.017 54.013 53.050 -0.090 0.000 0.703 666 N CB -1.597 36.783 38.487 -0.179 0.000 1.005 666 N HN 0.580 nan 8.380 nan 0.000 0.550 667 T N 0.792 115.365 114.554 0.032 0.000 2.841 667 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 667 T C -0.180 174.643 174.700 0.205 0.000 1.000 667 T CA -0.580 61.563 62.100 0.072 0.000 0.977 667 T CB 2.476 71.328 68.868 -0.028 0.000 0.979 667 T HN 0.153 nan 8.240 nan 0.000 0.446 668 L N 4.085 125.410 121.223 0.171 0.000 2.343 668 L HA 0.722 5.062 4.340 -0.000 0.000 0.278 668 L C -1.567 175.463 176.870 0.267 0.000 0.996 668 L CA -0.845 54.127 54.840 0.222 0.000 0.831 668 L CB 1.118 43.250 42.059 0.122 0.000 1.232 668 L HN 0.515 nan 8.230 nan 0.000 0.413 669 L N 4.937 126.372 121.223 0.354 0.000 2.322 669 L HA 0.850 5.190 4.340 -0.000 0.000 0.281 669 L C -0.265 176.782 176.870 0.295 0.000 1.014 669 L CA -0.322 54.675 54.840 0.261 0.000 0.815 669 L CB 1.727 43.920 42.059 0.223 0.000 1.247 669 L HN 0.739 nan 8.230 nan 0.000 0.421 670 A N 5.393 128.322 122.820 0.181 0.000 2.279 670 A HA 0.632 4.952 4.320 -0.000 0.000 0.306 670 A C -0.897 176.693 177.584 0.011 0.000 1.300 670 A CA -0.407 51.600 52.037 -0.051 0.000 0.925 670 A CB -0.119 18.805 19.000 -0.127 0.000 1.152 670 A HN 0.538 nan 8.150 nan 0.000 0.544 671 L N 2.099 123.345 121.223 0.038 0.000 2.352 671 L HA 0.734 5.074 4.340 -0.000 0.000 0.269 671 L C 0.994 177.909 176.870 0.075 0.000 1.034 671 L CA -0.003 54.887 54.840 0.084 0.000 0.806 671 L CB 1.444 43.583 42.059 0.134 0.000 1.244 671 L HN 0.746 nan 8.230 nan 0.000 0.447 672 G N 0.167 109.069 108.800 0.170 0.000 2.509 672 G HA2 0.380 4.340 3.960 -0.000 0.000 0.328 672 G HA3 0.380 4.340 3.960 -0.000 0.000 0.328 672 G C 0.107 175.124 174.900 0.195 0.000 1.194 672 G CA -0.441 44.847 45.100 0.313 0.000 0.967 672 G HN 0.697 nan 8.290 nan 0.000 0.488 673 N N -0.140 118.658 118.700 0.162 0.000 2.327 673 N HA 0.042 4.782 4.740 -0.000 0.000 0.231 673 N C -0.367 175.019 175.510 -0.206 0.000 1.130 673 N CA -0.448 52.597 53.050 -0.008 0.000 0.845 673 N CB 0.343 38.840 38.487 0.017 0.000 1.073 673 N HN 0.311 nan 8.380 nan 0.000 0.496 674 N N 1.001 119.427 118.700 -0.457 0.000 2.480 674 N HA 0.070 4.810 4.740 -0.000 0.000 0.289 674 N C -1.207 174.073 175.510 -0.383 0.000 1.073 674 N CA -0.259 52.404 53.050 -0.645 0.000 0.885 674 N CB 1.609 39.215 38.487 -1.469 0.000 1.421 674 N HN 0.203 nan 8.380 nan 0.000 0.503 675 D N 1.724 122.008 120.400 -0.193 0.000 2.462 675 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 675 D C 0.345 176.628 176.300 -0.028 0.000 1.173 675 D CA 0.281 54.225 54.000 -0.094 0.000 0.831 675 D CB 0.607 41.348 40.800 -0.098 0.000 1.001 675 D HN 0.285 nan 8.370 nan 0.000 0.499 676 Q N 0.282 120.064 119.800 -0.030 0.000 2.431 676 Q HA 0.210 4.550 4.340 -0.000 0.000 0.244 676 Q C 0.445 176.569 176.000 0.206 0.000 0.880 676 Q CA 0.576 56.419 55.803 0.067 0.000 0.954 676 Q CB 1.345 30.093 28.738 0.018 0.000 1.105 676 Q HN 0.532 nan 8.270 nan 0.000 0.558 677 R N -0.675 119.891 120.500 0.109 0.000 2.707 677 R HA 0.413 4.753 4.340 -0.000 0.000 0.272 677 R C -2.497 173.911 176.300 0.180 0.000 1.011 677 R CA -1.423 54.735 56.100 0.097 0.000 0.893 677 R CB 1.225 31.603 30.300 0.130 0.000 1.233 677 R HN -0.293 nan 8.270 nan 0.000 0.464 678 P HA -0.070 nan 4.420 nan 0.000 0.222 678 P C -0.351 177.209 177.300 0.434 0.000 1.153 678 P CA 0.887 64.175 63.100 0.313 0.000 0.798 678 P CB 0.075 31.896 31.700 0.201 0.000 0.796 679 D N 0.271 120.837 120.400 0.276 0.000 2.456 679 D HA 0.203 4.843 4.640 -0.000 0.000 0.219 679 D C -0.514 175.782 176.300 -0.006 0.000 1.126 679 D CA -0.651 53.393 54.000 0.073 0.000 0.890 679 D CB -0.286 40.562 40.800 0.080 0.000 1.025 679 D HN 0.104 nan 8.370 nan 0.000 0.511 680 Y N 0.232 120.252 120.300 -0.467 0.000 2.715 680 Y HA 0.497 5.047 4.550 -0.000 0.000 0.331 680 Y C -1.052 174.313 175.900 -0.890 0.000 1.197 680 Y CA -1.644 56.162 58.100 -0.490 0.000 1.079 680 Y CB 0.617 38.948 38.460 -0.215 0.000 1.298 680 Y HN -0.105 nan 8.280 nan 0.000 0.477 681 V N 3.514 123.180 119.914 -0.413 0.000 2.356 681 V HA 0.090 4.210 4.120 -0.000 0.000 0.258 681 V C -0.193 175.690 176.094 -0.353 0.000 1.065 681 V CA -0.431 61.572 62.300 -0.495 0.000 0.935 681 V CB -0.431 31.184 31.823 -0.347 0.000 1.061 681 V HN 0.855 nan 8.190 nan 0.000 0.484 682 W N 5.123 126.292 121.300 -0.219 0.000 2.519 682 W HA -0.039 4.621 4.660 -0.000 0.000 0.266 682 W C 1.958 178.450 176.519 -0.044 0.000 1.253 682 W CA 1.138 58.347 57.345 -0.227 0.000 1.274 682 W CB -0.601 28.696 29.460 -0.272 0.000 1.114 682 W HN 0.994 nan 8.180 nan 0.000 0.596 683 H N -0.816 118.322 119.070 0.113 0.000 2.526 683 H HA 0.291 4.847 4.556 -0.000 0.000 0.274 683 H C -0.598 174.746 175.328 0.027 0.000 0.999 683 H CA 0.296 56.376 56.048 0.052 0.000 1.157 683 H CB -0.319 29.475 29.762 0.053 0.000 1.407 683 H HN 0.100 nan 8.280 nan 0.000 0.568 684 E N 0.448 120.522 120.200 -0.210 0.000 2.165 684 E HA 0.397 4.747 4.350 -0.000 0.000 0.266 684 E C 0.074 176.677 176.600 0.004 0.000 0.889 684 E CA -0.384 55.941 56.400 -0.125 0.000 0.756 684 E CB 1.682 31.253 29.700 -0.216 0.000 1.131 684 E HN 0.499 nan 8.360 nan 0.000 0.411 685 G N 3.022 111.855 108.800 0.056 0.000 2.143 685 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 685 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 685 G C 0.368 175.325 174.900 0.095 0.000 0.981 685 G CA 0.165 45.309 45.100 0.074 0.000 0.665 685 G HN 0.503 nan 8.290 nan 0.000 0.528 686 T N 0.929 115.537 114.554 0.090 0.000 2.902 686 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 686 T C 0.620 175.297 174.700 -0.039 0.000 1.012 686 T CA 0.787 62.850 62.100 -0.061 0.000 1.151 686 T CB 1.610 70.283 68.868 -0.324 0.000 0.946 686 T HN 1.497 nan 8.240 nan 0.000 0.542 687 A N 3.884 126.649 122.820 -0.092 0.000 2.316 687 A HA 0.646 4.966 4.320 -0.000 0.000 0.324 687 A C -0.354 177.167 177.584 -0.104 0.000 1.375 687 A CA -0.755 51.273 52.037 -0.016 0.000 0.882 687 A CB -0.119 18.939 19.000 0.097 0.000 1.152 687 A HN 0.701 nan 8.150 nan 0.000 0.512 688 F N 1.718 121.679 119.950 0.019 0.000 2.371 688 F HA 0.423 4.950 4.527 -0.000 0.000 0.329 688 F C 0.991 176.668 175.800 -0.205 0.000 1.107 688 F CA 0.478 58.494 58.000 0.027 0.000 1.137 688 F CB 1.051 40.071 39.000 0.033 0.000 1.214 688 F HN 0.488 nan 8.300 nan 0.000 0.536 689 H N 2.854 122.070 119.070 0.243 0.000 2.840 689 H HA 0.326 4.882 4.556 -0.000 0.000 0.340 689 H C -1.419 173.877 175.328 -0.053 0.000 1.004 689 H CA -0.848 55.200 56.048 -0.001 0.000 1.288 689 H CB 2.351 32.067 29.762 -0.076 0.000 1.607 689 H HN 0.392 nan 8.280 nan 0.000 0.522 690 L N 3.797 124.966 121.223 -0.089 0.000 2.282 690 L HA 0.415 4.755 4.340 -0.000 0.000 0.288 690 L C -1.432 175.317 176.870 -0.201 0.000 1.033 690 L CA -0.218 54.602 54.840 -0.034 0.000 0.807 690 L CB 0.254 42.310 42.059 -0.004 0.000 1.209 690 L HN 0.345 nan 8.230 nan 0.000 0.423 691 F N 3.988 123.961 119.950 0.039 0.000 2.460 691 F HA 0.394 4.921 4.527 -0.000 0.000 0.341 691 F C 0.692 176.472 175.800 -0.032 0.000 1.130 691 F CA -0.741 57.264 58.000 0.009 0.000 0.962 691 F CB 0.851 39.840 39.000 -0.019 0.000 1.171 691 F HN 0.637 nan 8.300 nan 0.000 0.436 692 N N 2.687 121.460 118.700 0.121 0.000 2.678 692 N HA -0.237 4.503 4.740 -0.000 0.000 0.268 692 N C -0.875 174.631 175.510 -0.006 0.000 1.010 692 N CA -0.050 53.026 53.050 0.045 0.000 0.784 692 N CB -0.464 38.040 38.487 0.027 0.000 0.905 692 N HN 0.489 nan 8.380 nan 0.000 0.552 693 L N 1.367 122.596 121.223 0.011 0.000 2.315 693 L HA 0.116 4.456 4.340 -0.000 0.000 0.283 693 L C 0.667 177.542 176.870 0.009 0.000 1.089 693 L CA -0.010 54.832 54.840 0.005 0.000 0.833 693 L CB 0.513 42.592 42.059 0.032 0.000 1.170 693 L HN 0.359 nan 8.230 nan 0.000 0.442 694 Q N 2.530 122.316 119.800 -0.023 0.000 2.312 694 Q HA 0.102 4.442 4.340 -0.000 0.000 0.236 694 Q C -0.468 175.648 176.000 0.193 0.000 0.965 694 Q CA -0.718 55.120 55.803 0.058 0.000 0.894 694 Q CB 1.192 29.910 28.738 -0.034 0.000 1.225 694 Q HN 0.481 nan 8.270 nan 0.000 0.478 695 D N -0.073 120.415 120.400 0.147 0.000 2.487 695 D HA 0.049 4.689 4.640 -0.000 0.000 0.243 695 D C 0.691 177.057 176.300 0.110 0.000 1.154 695 D CA 1.705 55.767 54.000 0.104 0.000 0.876 695 D CB 0.375 41.214 40.800 0.066 0.000 1.161 695 D HN 0.746 nan 8.370 nan 0.000 0.478 696 G N 3.137 111.955 108.800 0.031 0.000 2.157 696 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 696 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 696 G C 0.337 175.096 174.900 -0.235 0.000 0.979 696 G CA 0.198 45.245 45.100 -0.088 0.000 0.650 696 G HN 0.718 nan 8.290 nan 0.000 0.529 697 H N -0.057 119.010 119.070 -0.004 0.000 2.651 697 H HA 0.660 5.216 4.556 -0.000 0.000 0.353 697 H C -0.515 174.807 175.328 -0.010 0.000 1.178 697 H CA -0.353 55.691 56.048 -0.007 0.000 1.224 697 H CB 2.049 31.807 29.762 -0.006 0.000 1.702 697 H HN 0.352 nan 8.280 nan 0.000 0.550 698 E N 0.782 121.049 120.200 0.112 0.000 2.246 698 E HA 0.520 4.870 4.350 -0.000 0.000 0.266 698 E C -1.538 175.092 176.600 0.051 0.000 0.880 698 E CA -0.964 55.467 56.400 0.052 0.000 0.762 698 E CB 1.701 31.406 29.700 0.009 0.000 1.180 698 E HN 0.702 nan 8.360 nan 0.000 0.416 699 A N 3.847 126.687 122.820 0.032 0.000 2.260 699 A HA 0.529 4.849 4.320 -0.000 0.000 0.308 699 A C -0.699 176.884 177.584 -0.001 0.000 1.254 699 A CA -0.537 51.514 52.037 0.024 0.000 0.874 699 A CB 0.887 19.910 19.000 0.039 0.000 1.153 699 A HN 0.353 nan 8.150 nan 0.000 0.527 700 V N 1.771 121.685 119.914 -0.001 0.000 2.459 700 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 700 V C -0.174 175.927 176.094 0.012 0.000 1.029 700 V CA -0.637 61.649 62.300 -0.023 0.000 0.874 700 V CB 1.272 33.077 31.823 -0.031 0.000 0.985 700 V HN 1.001 nan 8.190 nan 0.000 0.438 701 C N 4.992 124.294 119.300 0.003 0.000 2.346 701 C HA 0.571 5.031 4.460 -0.000 0.000 0.326 701 C C -0.165 174.872 174.990 0.079 0.000 1.224 701 C CA -0.427 58.648 59.018 0.096 0.000 1.408 701 C CB 0.167 28.036 27.740 0.215 0.000 2.089 701 C HN 0.995 nan 8.230 nan 0.000 0.456 702 E N 4.403 124.656 120.200 0.088 0.000 2.109 702 E HA 0.402 4.752 4.350 -0.000 0.000 0.278 702 E C -0.724 175.955 176.600 0.131 0.000 0.954 702 E CA -0.406 56.037 56.400 0.072 0.000 0.779 702 E CB 1.740 31.453 29.700 0.023 0.000 1.093 702 E HN 0.588 nan 8.360 nan 0.000 0.401 703 V N 5.776 125.810 119.914 0.200 0.000 2.461 703 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 703 V C -1.847 174.349 176.094 0.170 0.000 1.047 703 V CA -1.789 60.640 62.300 0.215 0.000 0.955 703 V CB 0.680 32.705 31.823 0.336 0.000 0.988 703 V HN 0.586 nan 8.190 nan 0.000 0.471 704 P HA 0.341 nan 4.420 nan 0.000 0.278 704 P C -0.375 177.121 177.300 0.328 0.000 1.238 704 P CA -0.144 63.071 63.100 0.191 0.000 0.794 704 P CB 1.331 33.124 31.700 0.154 0.000 0.955 705 A N 2.750 125.715 122.820 0.242 0.000 2.249 705 A HA 0.495 4.815 4.320 -0.000 0.000 0.281 705 A C 1.791 179.589 177.584 0.356 0.000 1.127 705 A CA 0.223 52.391 52.037 0.219 0.000 0.833 705 A CB -0.547 18.507 19.000 0.089 0.000 1.140 705 A HN 0.525 nan 8.150 nan 0.000 0.502 706 A N -0.145 122.784 122.820 0.181 0.000 1.978 706 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 706 A C 1.293 179.048 177.584 0.285 0.000 1.170 706 A CA 2.234 54.347 52.037 0.126 0.000 0.636 706 A CB -0.739 18.242 19.000 -0.033 0.000 0.810 706 A HN 0.883 nan 8.150 nan 0.000 0.448 707 D N -2.814 117.729 120.400 0.237 0.000 2.328 707 D HA 0.324 4.964 4.640 -0.000 0.000 0.221 707 D C 1.131 177.575 176.300 0.240 0.000 1.072 707 D CA 0.896 55.033 54.000 0.228 0.000 0.850 707 D CB -0.393 40.486 40.800 0.132 0.000 0.922 707 D HN 0.727 nan 8.370 nan 0.000 0.516 708 G N 0.197 109.192 108.800 0.324 0.000 2.241 708 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 708 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 708 G C 0.537 175.495 174.900 0.096 0.000 0.998 708 G CA 0.373 45.581 45.100 0.181 0.000 0.621 708 G HN 0.862 nan 8.290 nan 0.000 0.519 709 S N -0.250 115.508 115.700 0.097 0.000 2.589 709 S HA 0.550 5.020 4.470 -0.000 0.000 0.265 709 S C 0.526 175.164 174.600 0.063 0.000 1.342 709 S CA -0.008 58.227 58.200 0.058 0.000 1.005 709 S CB 1.868 65.097 63.200 0.048 0.000 0.909 709 S HN 1.148 nan 8.310 nan 0.000 0.555 710 V N 2.815 122.751 119.914 0.038 0.000 2.470 710 V HA 0.174 4.294 4.120 -0.000 0.000 0.276 710 V C 1.139 177.257 176.094 0.041 0.000 1.040 710 V CA -0.043 62.282 62.300 0.041 0.000 1.008 710 V CB 0.296 32.128 31.823 0.014 0.000 0.990 710 V HN 0.962 nan 8.190 nan 0.000 0.477 711 I N 4.105 124.709 120.570 0.057 0.000 3.462 711 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 711 I C 0.059 176.260 176.117 0.140 0.000 1.236 711 I CA 0.590 61.901 61.300 0.019 0.000 1.418 711 I CB 0.485 38.391 38.000 -0.157 0.000 1.102 711 I HN 0.554 nan 8.210 nan 0.000 0.441 712 F N -0.093 119.848 119.950 -0.016 0.000 2.615 712 F HA 0.417 4.944 4.527 -0.000 0.000 0.312 712 F C -1.089 174.707 175.800 -0.007 0.000 1.119 712 F CA -0.483 57.516 58.000 -0.003 0.000 0.979 712 F CB 1.759 40.781 39.000 0.037 0.000 1.266 712 F HN -0.399 nan 8.300 nan 0.000 0.444 713 T N 6.619 120.758 114.554 -0.691 0.000 2.840 713 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 713 T C -1.267 172.899 174.700 -0.890 0.000 0.991 713 T CA -0.535 61.241 62.100 -0.540 0.000 0.964 713 T CB 1.320 70.004 68.868 -0.306 0.000 0.954 713 T HN 0.513 nan 8.240 nan 0.000 0.438 714 L N 3.831 124.666 121.223 -0.647 0.000 2.296 714 L HA 0.568 4.908 4.340 -0.000 0.000 0.286 714 L C -0.398 176.260 176.870 -0.354 0.000 1.023 714 L CA -0.676 53.784 54.840 -0.634 0.000 0.812 714 L CB 1.327 42.871 42.059 -0.858 0.000 1.223 714 L HN 0.558 nan 8.230 nan 0.000 0.421 715 K N 3.470 123.709 120.400 -0.268 0.000 2.203 715 K HA 0.741 5.061 4.320 -0.000 0.000 0.251 715 K C -0.886 175.648 176.600 -0.110 0.000 0.944 715 K CA -0.628 55.568 56.287 -0.152 0.000 0.829 715 K CB 2.416 34.845 32.500 -0.118 0.000 1.125 715 K HN 0.623 nan 8.250 nan 0.000 0.430 716 A N 1.563 124.345 122.820 -0.064 0.000 2.375 716 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 716 A C -1.135 176.445 177.584 -0.007 0.000 1.160 716 A CA -0.616 51.403 52.037 -0.031 0.000 0.747 716 A CB 1.143 20.132 19.000 -0.018 0.000 1.170 716 A HN 0.693 nan 8.150 nan 0.000 0.458 717 A N 2.597 125.414 122.820 -0.005 0.000 2.330 717 A HA 0.833 5.153 4.320 -0.000 0.000 0.327 717 A C 0.025 177.617 177.584 0.014 0.000 1.155 717 A CA -0.659 51.381 52.037 0.006 0.000 0.803 717 A CB 0.901 19.896 19.000 -0.009 0.000 1.208 717 A HN 0.865 nan 8.150 nan 0.000 0.477 718 R N 0.913 121.430 120.500 0.028 0.000 2.562 718 R HA 0.655 4.995 4.340 -0.000 0.000 0.298 718 R C -1.389 174.923 176.300 0.021 0.000 0.961 718 R CA -0.096 56.022 56.100 0.029 0.000 0.881 718 R CB 1.753 32.082 30.300 0.048 0.000 1.159 718 R HN 0.683 nan 8.270 nan 0.000 0.450 719 T N 2.799 117.362 114.554 0.014 0.000 3.050 719 T HA 0.474 4.824 4.350 -0.000 0.000 0.310 719 T C 0.267 174.973 174.700 0.010 0.000 0.978 719 T CA 0.696 62.800 62.100 0.007 0.000 1.013 719 T CB 0.821 69.688 68.868 -0.002 0.000 1.000 719 T HN 0.952 nan 8.240 nan 0.000 0.447 720 G N 5.583 114.392 108.800 0.015 0.000 2.565 720 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.295 720 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.295 720 G C 0.448 175.361 174.900 0.021 0.000 1.165 720 G CA 0.439 45.549 45.100 0.017 0.000 0.977 720 G HN 0.672 nan 8.290 nan 0.000 0.546 721 N N 1.393 120.103 118.700 0.018 0.000 2.214 721 N HA 0.312 5.052 4.740 -0.000 0.000 0.214 721 N C -0.170 175.346 175.510 0.009 0.000 1.132 721 N CA 0.768 53.828 53.050 0.018 0.000 0.856 721 N CB 0.728 39.227 38.487 0.020 0.000 1.020 721 N HN 0.503 nan 8.380 nan 0.000 0.509 722 T N 1.163 115.722 114.554 0.008 0.000 2.779 722 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 722 T C 0.275 174.980 174.700 0.008 0.000 0.987 722 T CA -0.372 61.730 62.100 0.004 0.000 0.966 722 T CB 1.326 70.194 68.868 0.001 0.000 0.933 722 T HN -0.053 nan 8.240 nan 0.000 0.442 723 I N 2.977 123.552 120.570 0.007 0.000 2.330 723 I HA 0.289 4.458 4.170 -0.000 0.000 0.289 723 I C 0.278 176.400 176.117 0.007 0.000 1.001 723 I CA -0.743 60.563 61.300 0.010 0.000 1.193 723 I CB 1.335 39.343 38.000 0.013 0.000 1.345 723 I HN 0.456 nan 8.210 nan 0.000 0.461 724 T N 5.926 120.482 114.554 0.004 0.000 2.727 724 T HA 0.323 4.673 4.350 -0.000 0.000 0.298 724 T C 0.098 174.797 174.700 -0.002 0.000 0.942 724 T CA -0.393 61.709 62.100 0.003 0.000 0.997 724 T CB 1.050 69.916 68.868 -0.003 0.000 0.917 724 T HN 0.213 nan 8.240 nan 0.000 0.487 725 V N 4.971 124.891 119.914 0.010 0.000 2.383 725 V HA 0.584 4.704 4.120 -0.000 0.000 0.275 725 V C 0.675 176.777 176.094 0.012 0.000 1.036 725 V CA -0.695 61.609 62.300 0.007 0.000 0.889 725 V CB 1.118 32.973 31.823 0.053 0.000 0.985 725 V HN 1.050 nan 8.190 nan 0.000 0.459 726 T N 1.953 116.484 114.554 -0.038 0.000 2.861 726 T HA 0.779 5.129 4.350 -0.000 0.000 0.287 726 T C -0.068 174.555 174.700 -0.128 0.000 1.003 726 T CA -0.327 61.749 62.100 -0.041 0.000 0.977 726 T CB 1.724 70.563 68.868 -0.048 0.000 0.996 726 T HN 0.849 nan 8.240 nan 0.000 0.448 727 G N 0.718 109.473 108.800 -0.076 0.000 2.441 727 G HA2 0.800 4.760 3.960 -0.000 0.000 0.334 727 G HA3 0.800 4.760 3.960 -0.000 0.000 0.334 727 G C -0.890 173.877 174.900 -0.223 0.000 1.161 727 G CA -0.864 44.089 45.100 -0.245 0.000 0.935 727 G HN 1.408 nan 8.290 nan 0.000 0.488 728 A N -0.155 122.395 122.820 -0.450 0.000 2.500 728 A HA 0.900 5.220 4.320 -0.000 0.000 0.288 728 A C 0.218 177.703 177.584 -0.164 0.000 1.045 728 A CA 0.569 52.486 52.037 -0.199 0.000 0.830 728 A CB 0.828 19.716 19.000 -0.186 0.000 1.337 728 A HN 2.652 nan 8.150 nan 0.000 0.400 729 G N 0.921 109.782 108.800 0.101 0.000 2.378 729 G HA2 0.259 4.219 3.960 -0.000 0.000 0.198 729 G HA3 0.259 4.219 3.960 -0.000 0.000 0.198 729 G C -0.463 174.678 174.900 0.401 0.000 1.223 729 G CA -0.023 45.209 45.100 0.221 0.000 1.088 729 G HN 1.399 nan 8.290 nan 0.000 0.530 730 E N 0.354 120.766 120.200 0.353 0.000 2.114 730 E HA 0.646 4.996 4.350 -0.000 0.000 0.266 730 E C -0.153 176.516 176.600 0.114 0.000 0.896 730 E CA -0.178 56.351 56.400 0.216 0.000 0.750 730 E CB 0.871 30.635 29.700 0.107 0.000 1.121 730 E HN 1.520 nan 8.360 nan 0.000 0.413 731 A N 4.351 127.120 122.820 -0.086 0.000 2.572 731 A HA 0.700 5.020 4.320 -0.000 0.000 0.295 731 A C -1.380 176.265 177.584 0.103 0.000 1.072 731 A CA -0.879 51.042 52.037 -0.194 0.000 0.691 731 A CB 1.782 20.096 19.000 -1.143 0.000 1.291 731 A HN 0.549 nan 8.150 nan 0.000 0.404 732 K N 0.736 121.232 120.400 0.160 0.000 2.422 732 K HA 0.520 4.840 4.320 -0.000 0.000 0.251 732 K C 0.068 176.744 176.600 0.126 0.000 0.933 732 K CA -0.408 55.951 56.287 0.120 0.000 0.798 732 K CB 1.522 34.044 32.500 0.038 0.000 1.238 732 K HN 0.865 nan 8.250 nan 0.000 0.428 733 N N 2.291 120.999 118.700 0.013 0.000 2.735 733 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 733 N C -0.918 174.632 175.510 0.067 0.000 1.083 733 N CA 0.245 53.283 53.050 -0.020 0.000 0.703 733 N CB -0.159 38.328 38.487 -0.000 0.000 1.005 733 N HN 0.571 nan 8.380 nan 0.000 0.550 734 W N -0.286 121.032 121.300 0.029 0.000 2.390 734 W HA 0.724 5.384 4.660 -0.000 0.000 0.362 734 W C -0.457 176.130 176.519 0.113 0.000 1.206 734 W CA -0.499 56.905 57.345 0.099 0.000 1.355 734 W CB 0.777 30.376 29.460 0.232 0.000 1.278 734 W HN -0.102 nan 8.180 nan 0.000 0.653 735 T N 2.428 117.330 114.554 0.579 0.000 2.900 735 T HA 0.456 4.806 4.350 -0.000 0.000 0.303 735 T C -1.404 173.604 174.700 0.513 0.000 1.142 735 T CA -0.743 61.547 62.100 0.317 0.000 1.007 735 T CB 1.709 70.660 68.868 0.139 0.000 1.156 735 T HN 0.437 nan 8.240 nan 0.000 0.490 736 L N 3.096 124.511 121.223 0.319 0.000 2.376 736 L HA 0.646 4.986 4.340 -0.000 0.000 0.275 736 L C -0.831 176.067 176.870 0.047 0.000 0.987 736 L CA -0.585 54.400 54.840 0.243 0.000 0.828 736 L CB 1.053 43.280 42.059 0.280 0.000 1.249 736 L HN 0.837 nan 8.230 nan 0.000 0.409 737 C N 6.603 125.844 119.300 -0.098 0.000 2.295 737 C HA 0.463 4.923 4.460 -0.000 0.000 0.331 737 C C 0.305 175.247 174.990 -0.080 0.000 1.280 737 C CA -0.743 58.204 59.018 -0.118 0.000 1.746 737 C CB 0.082 27.686 27.740 -0.227 0.000 2.328 737 C HN 0.760 nan 8.230 nan 0.000 0.521 738 L N 6.520 127.718 121.223 -0.041 0.000 2.328 738 L HA 0.351 4.691 4.340 -0.000 0.000 0.280 738 L C 0.595 177.433 176.870 -0.054 0.000 1.111 738 L CA -0.202 54.614 54.840 -0.041 0.000 0.909 738 L CB -0.261 41.793 42.059 -0.008 0.000 1.277 738 L HN 0.669 nan 8.230 nan 0.000 0.433 739 R N 3.353 123.773 120.500 -0.134 0.000 2.484 739 R HA 0.037 4.377 4.340 -0.000 0.000 0.293 739 R C 0.763 177.039 176.300 -0.039 0.000 1.023 739 R CA 0.412 56.424 56.100 -0.147 0.000 1.037 739 R CB -0.033 29.988 30.300 -0.466 0.000 0.951 739 R HN 0.523 nan 8.270 nan 0.000 0.418 740 N N 1.288 119.995 118.700 0.012 0.000 2.741 740 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 740 N C -1.471 174.061 175.510 0.037 0.000 1.112 740 N CA 1.157 54.231 53.050 0.041 0.000 0.750 740 N CB -0.669 37.855 38.487 0.062 0.000 1.119 740 N HN 0.211 nan 8.380 nan 0.000 0.561 741 V N 1.365 121.297 119.914 0.030 0.000 2.376 741 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 741 V C 1.529 177.649 176.094 0.043 0.000 1.015 741 V CA -0.468 61.856 62.300 0.039 0.000 0.834 741 V CB 1.771 33.613 31.823 0.032 0.000 1.001 741 V HN 0.071 nan 8.190 nan 0.000 0.428 742 V N 1.703 121.647 119.914 0.051 0.000 2.649 742 V HA 0.302 4.422 4.120 -0.000 0.000 0.248 742 V C 0.710 176.841 176.094 0.061 0.000 1.054 742 V CA 0.946 63.277 62.300 0.050 0.000 1.073 742 V CB -0.305 31.546 31.823 0.045 0.000 0.699 742 V HN 0.692 nan 8.190 nan 0.000 0.463 743 K N -0.734 119.719 120.400 0.089 0.000 2.527 743 K HA 0.687 5.007 4.320 -0.000 0.000 0.260 743 K C -2.065 174.628 176.600 0.156 0.000 0.937 743 K CA -0.447 55.916 56.287 0.126 0.000 0.826 743 K CB 3.263 35.866 32.500 0.172 0.000 1.359 743 K HN 0.020 nan 8.250 nan 0.000 0.434 744 V N 2.244 122.189 119.914 0.052 0.000 3.078 744 V HA 0.257 4.377 4.120 -0.000 0.000 0.311 744 V C 0.204 176.097 176.094 -0.335 0.000 1.138 744 V CA -0.545 61.702 62.300 -0.088 0.000 1.007 744 V CB 1.997 33.793 31.823 -0.045 0.000 1.045 744 V HN 0.968 nan 8.190 nan 0.000 0.432 745 N N 2.075 120.507 118.700 -0.445 0.000 2.207 745 N HA 0.296 5.035 4.740 -0.000 0.000 0.182 745 N C 0.276 175.670 175.510 -0.193 0.000 1.020 745 N CA 1.536 54.323 53.050 -0.438 0.000 0.858 745 N CB 0.219 38.510 38.487 -0.328 0.000 0.991 745 N HN 1.046 nan 8.380 nan 0.000 0.427 746 G N -1.151 107.574 108.800 -0.126 0.000 2.523 746 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 746 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 746 G C -2.199 172.673 174.900 -0.047 0.000 1.450 746 G CA -0.647 44.410 45.100 -0.071 0.000 0.790 746 G HN 0.102 nan 8.290 nan 0.000 0.496 747 L N 0.720 121.923 121.223 -0.032 0.000 2.661 747 L HA 0.384 4.724 4.340 -0.000 0.000 0.263 747 L C -0.554 176.305 176.870 -0.017 0.000 0.956 747 L CA -0.548 54.279 54.840 -0.022 0.000 0.918 747 L CB 2.027 44.073 42.059 -0.022 0.000 1.280 747 L HN 0.634 nan 8.230 nan 0.000 0.416 748 Q N 1.981 121.774 119.800 -0.011 0.000 2.235 748 Q HA 0.233 4.573 4.340 -0.000 0.000 0.250 748 Q C -0.551 175.445 176.000 -0.007 0.000 0.909 748 Q CA -0.519 55.279 55.803 -0.008 0.000 0.910 748 Q CB 1.337 30.072 28.738 -0.004 0.000 1.223 748 Q HN 0.552 nan 8.270 nan 0.000 0.432 749 D N 0.554 120.947 120.400 -0.011 0.000 2.701 749 D HA -0.171 4.469 4.640 -0.000 0.000 0.235 749 D C -0.477 175.807 176.300 -0.028 0.000 1.155 749 D CA 1.456 55.447 54.000 -0.015 0.000 0.649 749 D CB -0.888 39.909 40.800 -0.004 0.000 1.050 749 D HN 0.716 nan 8.370 nan 0.000 0.425 750 G N -1.133 107.649 108.800 -0.031 0.000 2.732 750 G HA2 0.566 4.526 3.960 -0.000 0.000 0.296 750 G HA3 0.566 4.526 3.960 -0.000 0.000 0.296 750 G C -0.619 174.257 174.900 -0.040 0.000 1.448 750 G CA -0.217 44.857 45.100 -0.044 0.000 0.911 750 G HN 0.384 nan 8.290 nan 0.000 0.528 751 S N -0.025 115.645 115.700 -0.049 0.000 2.651 751 S HA 0.792 5.262 4.470 -0.000 0.000 0.291 751 S C -0.217 174.365 174.600 -0.030 0.000 1.141 751 S CA -0.592 57.586 58.200 -0.037 0.000 1.027 751 S CB 1.813 64.988 63.200 -0.042 0.000 1.043 751 S HN 1.036 nan 8.310 nan 0.000 0.530 752 Q N 0.628 120.416 119.800 -0.019 0.000 2.413 752 Q HA 0.825 5.165 4.340 -0.000 0.000 0.276 752 Q C -1.292 174.705 176.000 -0.005 0.000 1.099 752 Q CA -1.475 54.322 55.803 -0.010 0.000 0.814 752 Q CB 2.081 30.816 28.738 -0.005 0.000 1.379 752 Q HN 0.962 nan 8.270 nan 0.000 0.436 753 A N 1.368 124.189 122.820 0.002 0.000 2.539 753 A HA 0.548 4.868 4.320 -0.000 0.000 0.296 753 A C -1.188 176.406 177.584 0.016 0.000 1.073 753 A CA -0.746 51.296 52.037 0.008 0.000 0.700 753 A CB 1.904 20.908 19.000 0.006 0.000 1.296 753 A HN 0.785 nan 8.150 nan 0.000 0.405 754 E N 0.540 120.753 120.200 0.021 0.000 2.413 754 E HA 0.421 4.771 4.350 -0.000 0.000 0.263 754 E C 0.387 177.006 176.600 0.032 0.000 1.015 754 E CA 1.118 57.534 56.400 0.028 0.000 0.916 754 E CB 0.498 30.215 29.700 0.028 0.000 0.947 754 E HN 0.875 nan 8.360 nan 0.000 0.440 755 S N 1.888 117.612 115.700 0.039 0.000 2.651 755 S HA 0.312 4.782 4.470 -0.000 0.000 0.279 755 S C 0.586 175.221 174.600 0.058 0.000 1.148 755 S CA -0.770 57.460 58.200 0.051 0.000 0.837 755 S CB 1.383 64.618 63.200 0.059 0.000 1.138 755 S HN 0.554 nan 8.310 nan 0.000 0.478 756 E N 0.359 120.601 120.200 0.069 0.000 2.153 756 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 756 E C 1.582 178.231 176.600 0.082 0.000 0.988 756 E CA 1.319 57.763 56.400 0.074 0.000 0.811 756 E CB -0.116 29.635 29.700 0.086 0.000 0.746 756 E HN 0.662 nan 8.360 nan 0.000 0.466 757 Q N -0.602 119.255 119.800 0.094 0.000 2.432 757 Q HA 0.133 4.473 4.340 -0.000 0.000 0.205 757 Q C 0.650 176.690 176.000 0.067 0.000 0.945 757 Q CA 0.424 56.286 55.803 0.098 0.000 0.924 757 Q CB 1.031 29.849 28.738 0.133 0.000 1.016 757 Q HN 0.173 nan 8.270 nan 0.000 0.503 758 G N 0.420 109.254 108.800 0.057 0.000 2.361 758 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.331 758 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.331 758 G C -1.982 172.938 174.900 0.033 0.000 1.324 758 G CA -1.173 43.950 45.100 0.038 0.000 0.984 758 G HN 0.005 nan 8.290 nan 0.000 0.586 759 L N 0.517 121.754 121.223 0.024 0.000 2.477 759 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 759 L C 0.641 177.518 176.870 0.011 0.000 1.157 759 L CA -0.002 54.850 54.840 0.020 0.000 0.889 759 L CB 1.020 43.090 42.059 0.020 0.000 1.158 759 L HN 0.508 nan 8.230 nan 0.000 0.473 760 V N 6.407 126.328 119.914 0.012 0.000 2.406 760 V HA 0.333 4.453 4.120 -0.000 0.000 0.272 760 V C 0.082 176.180 176.094 0.007 0.000 1.043 760 V CA -0.640 61.664 62.300 0.007 0.000 0.915 760 V CB 1.381 33.210 31.823 0.010 0.000 0.988 760 V HN 0.477 nan 8.190 nan 0.000 0.466 761 V N 4.826 124.749 119.914 0.014 0.000 2.472 761 V HA 0.539 4.659 4.120 -0.000 0.000 0.290 761 V C -0.041 176.044 176.094 -0.015 0.000 1.037 761 V CA -0.802 61.501 62.300 0.005 0.000 0.908 761 V CB 1.914 33.753 31.823 0.026 0.000 0.985 761 V HN 0.853 nan 8.190 nan 0.000 0.454 762 K N 7.643 128.001 120.400 -0.071 0.000 2.358 762 K HA 0.547 4.867 4.320 -0.000 0.000 0.260 762 K C -2.722 173.745 176.600 -0.220 0.000 0.956 762 K CA -2.235 53.952 56.287 -0.166 0.000 0.834 762 K CB 1.962 34.384 32.500 -0.130 0.000 1.102 762 K HN 0.345 nan 8.250 nan 0.000 0.431 763 P HA 0.110 nan 4.420 nan 0.000 0.274 763 P C -1.292 175.871 177.300 -0.228 0.000 1.231 763 P CA -0.114 62.809 63.100 -0.296 0.000 0.790 763 P CB 0.684 32.106 31.700 -0.463 0.000 0.951 764 Q N 1.020 120.746 119.800 -0.124 0.000 3.660 764 Q HA 0.577 4.917 4.340 -0.000 0.000 0.194 764 Q C -0.216 175.757 176.000 -0.044 0.000 0.872 764 Q CA -0.785 54.966 55.803 -0.088 0.000 0.756 764 Q CB 0.727 29.418 28.738 -0.077 0.000 1.443 764 Q HN 0.802 nan 8.270 nan 0.000 0.460 765 G N 1.903 110.688 108.800 -0.026 0.000 2.355 765 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.619 765 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.619 765 G C -1.524 173.392 174.900 0.027 0.000 1.337 765 G CA -1.091 44.010 45.100 0.002 0.000 0.993 765 G HN 0.393 nan 8.290 nan 0.000 0.599 766 N N 1.110 119.831 118.700 0.035 0.000 2.801 766 N HA 0.512 5.252 4.740 -0.000 0.000 0.235 766 N C 0.684 176.216 175.510 0.036 0.000 1.069 766 N CA 0.364 53.444 53.050 0.050 0.000 0.946 766 N CB 1.388 39.905 38.487 0.050 0.000 1.212 766 N HN 1.187 nan 8.380 nan 0.000 0.509 767 A N 0.867 123.710 122.820 0.039 0.000 1.480 767 A HA 0.023 4.343 4.320 -0.000 0.000 0.207 767 A C 0.419 178.025 177.584 0.037 0.000 1.923 767 A CA -0.257 51.797 52.037 0.028 0.000 1.531 767 A CB -0.202 18.807 19.000 0.015 0.000 1.476 767 A HN 0.324 nan 8.150 nan 0.000 0.317 768 L N 2.508 123.756 121.223 0.041 0.000 3.901 768 L HA -0.137 4.203 4.340 -0.000 0.000 0.510 768 L C -0.447 176.441 176.870 0.031 0.000 1.036 768 L CA 1.337 56.202 54.840 0.041 0.000 0.745 768 L CB -1.614 40.495 42.059 0.083 0.000 1.070 768 L HN 0.411 nan 8.230 nan 0.000 0.723 769 T N 5.377 119.940 114.554 0.015 0.000 2.744 769 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 769 T C 0.096 174.798 174.700 0.002 0.000 0.957 769 T CA -0.003 62.102 62.100 0.008 0.000 1.002 769 T CB 0.646 69.516 68.868 0.002 0.000 0.919 769 T HN 0.511 nan 8.240 nan 0.000 0.468 770 I N 1.805 122.376 120.570 0.003 0.000 2.460 770 I HA 0.753 4.923 4.170 -0.000 0.000 0.298 770 I C -0.035 176.074 176.117 -0.013 0.000 0.989 770 I CA -0.298 60.999 61.300 -0.006 0.000 1.173 770 I CB 2.158 40.158 38.000 0.000 0.000 1.338 770 I HN 0.495 nan 8.210 nan 0.000 0.456 771 T N 7.122 121.658 114.554 -0.029 0.000 2.809 771 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 771 T C -0.464 174.201 174.700 -0.058 0.000 0.992 771 T CA -0.605 61.473 62.100 -0.035 0.000 0.957 771 T CB 0.433 69.279 68.868 -0.036 0.000 0.942 771 T HN 0.660 nan 8.240 nan 0.000 0.439 772 L N 4.488 125.691 121.223 -0.032 0.000 2.418 772 L HA 0.448 4.788 4.340 -0.000 0.000 0.265 772 L C 1.250 178.104 176.870 -0.026 0.000 1.143 772 L CA -0.959 53.870 54.840 -0.019 0.000 0.809 772 L CB 0.492 42.566 42.059 0.025 0.000 1.124 772 L HN 0.768 nan 8.230 nan 0.000 0.456 773 H N 0.000 119.077 119.070 0.012 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.055 56.048 0.012 0.000 1.023 773 H CB 0.000 29.769 29.762 0.012 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496