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 1we5_1_B DATA FIRST_RESID 2 DATA SEQUENCE KISDGNWLIQ PGLNLIHPLQ VFEVEQQDNE XVVYAAPRDV RERTWQLDTP DATA SEQUENCE LFTLRFFSPQ EGIVGVRIEH FQGALNNGPH YPLNILQDVK VTIENTERYA DATA SEQUENCE EFKSGNLSAR VSKGEFWSLD FLRNGERITG SQVKNNGYVQ DTNNQRNYXF DATA SEQUENCE ERLDLGVGET VYGLGERFTA LVRNGQTVET WNRDGGTSTE QAYKNIPFYX DATA SEQUENCE TNRGYGVLVN HPQCVSFEVG SEKVSKVQFS VESEYLEYFV IDGPTPKAVL DATA SEQUENCE DRYTRFTGRP ALPPAWSFGL WLTTSFTTNY DEATVNSFID GXAERNLPLH DATA SEQUENCE VFHFDCFWXK AFQWCDFEWD PLTFPDPEGX IRRLKAKGLK ICVWINPYIG DATA SEQUENCE QKSPVFKELQ EKGYLLKRPD GSLWQWDKWQ PGLAIYDFTN PDACKWYADK DATA SEQUENCE LKGLVAXGVD CFKTDFGERI PTDVQWFDGS DPQKXHNHYA YIYNELVWNV DATA SEQUENCE LKDTVGEEEA VLFARSASVG AQKFPVHWGG DCYANYESXA ESLRGGLSIG DATA SEQUENCE LSGFGFWSHD IGGFENTAPA HVYKRWCAFG LLSSHSRLHX XXXXXXXXXX DATA SEQUENCE XDESCDVVRF FTQLKCRXXP YLYREAARAN ARGTPXXRAX XXEFPDDPAC DATA SEQUENCE DYLDRQYXLG DNVXVAPVFT EAGDVQFYLP EGRWTHLWHN DELDGSRWHK DATA SEQUENCE QQHGFLSLPV YVRDNTLLAL GNNDQRPDYV WHEGTAFHLF NLQDGHEAVC DATA SEQUENCE EVPAADGSVI FTLKAARTGN TITVTGAGEA KNWTLCLRNV VKVNGLQDGS DATA SEQUENCE QAESEQGLVV KPQGNALTIT L 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.448 176.600 -0.253 0.000 0.988 2 K CA 0.000 56.167 56.287 -0.201 0.000 0.838 2 K CB 0.000 32.410 32.500 -0.150 0.000 1.064 3 I N -0.112 120.283 120.570 -0.291 0.000 3.443 3 I HA -0.021 4.150 4.170 0.002 0.000 0.277 3 I C 1.044 177.009 176.117 -0.253 0.000 1.169 3 I CA 0.244 61.337 61.300 -0.345 0.000 1.419 3 I CB 0.439 38.095 38.000 -0.572 0.000 1.331 3 I HN 0.604 nan 8.210 nan 0.000 0.458 4 S N 0.089 115.652 115.700 -0.229 0.000 2.669 4 S HA 0.262 4.733 4.470 0.002 0.000 0.270 4 S C -0.360 174.160 174.600 -0.133 0.000 1.225 4 S CA -0.467 57.635 58.200 -0.163 0.000 0.991 4 S CB 1.861 64.963 63.200 -0.163 0.000 0.987 4 S HN 0.190 nan 8.310 nan 0.000 0.552 5 D N -0.226 120.114 120.400 -0.101 0.000 2.441 5 D HA 0.496 5.137 4.640 0.002 0.000 0.287 5 D C 0.558 176.813 176.300 -0.076 0.000 1.198 5 D CA 0.770 54.725 54.000 -0.075 0.000 0.894 5 D CB -0.036 40.738 40.800 -0.044 0.000 1.070 5 D HN 1.136 nan 8.370 nan 0.000 0.499 6 G N 2.554 111.282 108.800 -0.120 0.000 2.698 6 G HA2 -0.283 3.678 3.960 0.002 0.000 0.225 6 G HA3 -0.283 3.678 3.960 0.002 0.000 0.225 6 G C 0.740 175.459 174.900 -0.302 0.000 1.345 6 G CA -0.348 44.646 45.100 -0.177 0.000 0.871 6 G HN 0.367 nan 8.290 nan 0.000 0.540 7 N N -0.396 117.949 118.700 -0.591 0.000 2.416 7 N HA 0.019 4.760 4.740 0.002 0.000 0.177 7 N C 1.884 176.993 175.510 -0.668 0.000 1.036 7 N CA 1.758 54.343 53.050 -0.774 0.000 0.901 7 N CB -0.095 37.676 38.487 -1.193 0.000 0.976 7 N HN 0.650 nan 8.380 nan 0.000 0.444 8 W N 0.008 121.299 121.300 -0.016 0.000 2.704 8 W HA 0.242 4.903 4.660 0.002 0.000 0.266 8 W C 0.293 176.804 176.519 -0.013 0.000 1.266 8 W CA -0.667 56.671 57.345 -0.011 0.000 1.377 8 W CB 0.144 29.599 29.460 -0.009 0.000 1.082 8 W HN -0.141 nan 8.180 nan 0.000 0.608 9 L N -0.126 121.177 121.223 0.133 0.000 2.341 9 L HA 0.611 4.952 4.340 0.002 0.000 0.267 9 L C -0.155 176.719 176.870 0.006 0.000 1.022 9 L CA -1.731 53.154 54.840 0.075 0.000 0.844 9 L CB 0.669 42.767 42.059 0.067 0.000 1.436 9 L HN -0.232 nan 8.230 nan 0.000 0.483 10 I N -0.133 120.435 120.570 -0.004 0.000 2.769 10 I HA 0.258 4.429 4.170 0.002 0.000 0.298 10 I C -0.532 175.555 176.117 -0.049 0.000 1.128 10 I CA -1.047 60.229 61.300 -0.040 0.000 1.031 10 I CB 2.077 40.061 38.000 -0.027 0.000 1.235 10 I HN 0.433 nan 8.210 nan 0.000 0.423 11 Q N 4.065 123.817 119.800 -0.081 0.000 2.333 11 Q HA 0.128 4.469 4.340 0.002 0.000 0.299 11 Q C -2.274 173.689 176.000 -0.062 0.000 1.067 11 Q CA -1.188 54.568 55.803 -0.079 0.000 0.943 11 Q CB -0.091 28.579 28.738 -0.113 0.000 1.233 11 Q HN 0.223 nan 8.270 nan 0.000 0.401 12 P HA 0.012 nan 4.420 nan 0.000 0.265 12 P C 0.574 177.849 177.300 -0.041 0.000 1.193 12 P CA 0.922 64.000 63.100 -0.036 0.000 0.765 12 P CB 0.406 32.089 31.700 -0.029 0.000 0.823 13 G N 1.695 110.476 108.800 -0.032 0.000 2.179 13 G HA2 -0.234 3.727 3.960 0.002 0.000 0.260 13 G HA3 -0.234 3.727 3.960 0.002 0.000 0.260 13 G C -0.147 174.729 174.900 -0.040 0.000 0.977 13 G CA -0.270 44.812 45.100 -0.030 0.000 0.641 13 G HN 0.461 nan 8.290 nan 0.000 0.533 14 L N 0.671 121.861 121.223 -0.054 0.000 2.275 14 L HA 0.439 4.780 4.340 0.002 0.000 0.288 14 L C 0.072 176.909 176.870 -0.055 0.000 1.046 14 L CA -0.535 54.262 54.840 -0.071 0.000 0.805 14 L CB 1.318 43.311 42.059 -0.109 0.000 1.193 14 L HN 0.145 nan 8.230 nan 0.000 0.426 15 N N 4.523 123.189 118.700 -0.055 0.000 2.417 15 N HA 0.612 5.353 4.740 0.002 0.000 0.274 15 N C -1.198 174.281 175.510 -0.053 0.000 0.987 15 N CA -0.588 52.440 53.050 -0.037 0.000 0.912 15 N CB 1.728 40.203 38.487 -0.019 0.000 1.177 15 N HN 0.371 nan 8.380 nan 0.000 0.490 16 L N 3.221 124.414 121.223 -0.050 0.000 2.342 16 L HA 0.713 5.054 4.340 0.002 0.000 0.271 16 L C -0.317 176.448 176.870 -0.174 0.000 1.008 16 L CA -1.191 53.583 54.840 -0.110 0.000 0.818 16 L CB 1.534 43.519 42.059 -0.125 0.000 1.296 16 L HN 0.464 nan 8.230 nan 0.000 0.427 17 I N -1.537 118.897 120.570 -0.225 0.000 2.686 17 I HA 0.643 4.814 4.170 0.002 0.000 0.295 17 I C -1.331 174.673 176.117 -0.188 0.000 1.114 17 I CA -0.624 60.605 61.300 -0.118 0.000 1.038 17 I CB 2.243 40.279 38.000 0.059 0.000 1.238 17 I HN 0.602 nan 8.210 nan 0.000 0.420 18 H N 2.800 121.957 119.070 0.144 0.000 2.894 18 H HA 0.588 5.146 4.556 0.002 0.000 0.368 18 H C -2.805 172.342 175.328 -0.302 0.000 1.181 18 H CA -2.304 53.634 56.048 -0.184 0.000 1.146 18 H CB 1.755 31.393 29.762 -0.207 0.000 1.839 18 H HN 0.392 nan 8.280 nan 0.000 0.557 19 P HA 0.139 nan 4.420 nan 0.000 0.286 19 P C -0.083 176.514 177.300 -1.171 0.000 1.321 19 P CA 0.144 62.737 63.100 -0.845 0.000 0.790 19 P CB 0.580 31.605 31.700 -1.124 0.000 0.897 20 L N 1.885 122.727 121.223 -0.635 0.000 2.749 20 L HA 0.303 4.644 4.340 0.002 0.000 0.242 20 L C 0.796 177.651 176.870 -0.024 0.000 1.103 20 L CA 0.284 54.903 54.840 -0.368 0.000 0.906 20 L CB 0.484 42.477 42.059 -0.110 0.000 1.228 20 L HN 0.346 nan 8.230 nan 0.000 0.517 21 Q N 0.939 120.766 119.800 0.045 0.000 2.281 21 Q HA 0.320 4.661 4.340 0.002 0.000 0.263 21 Q C -1.386 174.854 176.000 0.401 0.000 0.989 21 Q CA -0.334 55.645 55.803 0.293 0.000 0.852 21 Q CB 3.213 32.057 28.738 0.178 0.000 1.337 21 Q HN -0.144 nan 8.270 nan 0.000 0.418 22 V N 5.111 125.339 119.914 0.523 0.000 2.585 22 V HA 0.022 4.143 4.120 0.002 0.000 0.296 22 V C 0.449 176.761 176.094 0.363 0.000 1.035 22 V CA 0.777 63.357 62.300 0.466 0.000 1.084 22 V CB 0.462 32.475 31.823 0.316 0.000 0.953 22 V HN 0.821 nan 8.190 nan 0.000 0.483 23 F N 3.105 123.200 119.950 0.241 0.000 2.553 23 F HA 0.386 4.914 4.527 0.002 0.000 0.282 23 F C 0.863 176.764 175.800 0.168 0.000 1.089 23 F CA 0.516 58.623 58.000 0.177 0.000 1.411 23 F CB 0.585 39.685 39.000 0.167 0.000 1.125 23 F HN 0.573 nan 8.300 nan 0.000 0.610 24 E N 0.311 120.608 120.200 0.162 0.000 2.380 24 E HA 0.459 4.810 4.350 0.002 0.000 0.281 24 E C -2.095 174.661 176.600 0.260 0.000 0.999 24 E CA -0.644 55.798 56.400 0.069 0.000 0.800 24 E CB 2.206 31.905 29.700 -0.002 0.000 1.228 24 E HN -0.166 nan 8.360 nan 0.000 0.436 25 V N 3.159 123.164 119.914 0.152 0.000 2.487 25 V HA 0.432 4.554 4.120 0.002 0.000 0.298 25 V C -0.674 175.504 176.094 0.140 0.000 1.028 25 V CA -0.599 61.788 62.300 0.146 0.000 0.860 25 V CB 1.390 33.258 31.823 0.075 0.000 0.991 25 V HN 0.699 nan 8.190 nan 0.000 0.427 26 E N 3.539 123.840 120.200 0.167 0.000 2.317 26 E HA 0.591 4.942 4.350 0.002 0.000 0.270 26 E C -1.071 175.601 176.600 0.120 0.000 0.885 26 E CA -0.979 55.511 56.400 0.149 0.000 0.760 26 E CB 2.547 32.374 29.700 0.212 0.000 1.227 26 E HN 0.571 nan 8.360 nan 0.000 0.434 27 Q N 1.964 121.825 119.800 0.102 0.000 2.340 27 Q HA 0.094 4.435 4.340 0.002 0.000 0.259 27 Q C 0.291 176.347 176.000 0.094 0.000 0.964 27 Q CA -0.458 55.406 55.803 0.102 0.000 0.900 27 Q CB 1.212 30.003 28.738 0.089 0.000 1.228 27 Q HN 0.627 nan 8.270 nan 0.000 0.449 28 Q N 2.153 122.009 119.800 0.094 0.000 2.096 28 Q HA -0.068 4.273 4.340 0.002 0.000 0.197 28 Q C 0.169 176.210 176.000 0.069 0.000 0.964 28 Q CA 1.694 57.541 55.803 0.074 0.000 0.838 28 Q CB 0.560 29.331 28.738 0.056 0.000 0.906 28 Q HN 0.847 nan 8.270 nan 0.000 0.444 29 D N -2.598 117.854 120.400 0.087 0.000 1.952 29 D HA -0.061 4.580 4.640 0.002 0.000 0.047 29 D C 0.531 176.901 176.300 0.117 0.000 1.444 29 D CA -0.345 53.704 54.000 0.082 0.000 0.875 29 D CB -0.645 40.193 40.800 0.064 0.000 3.060 29 D HN -0.037 nan 8.370 nan 0.000 0.193 30 N N 0.911 119.698 118.700 0.145 0.000 2.235 30 N HA 0.226 4.967 4.740 0.002 0.000 0.209 30 N C -0.398 175.330 175.510 0.363 0.000 1.122 30 N CA 0.356 53.536 53.050 0.218 0.000 0.845 30 N CB 1.753 40.354 38.487 0.190 0.000 1.004 30 N HN 0.423 nan 8.380 nan 0.000 0.499 34 V N 4.659 124.569 119.914 -0.008 0.000 2.487 34 V HA 0.551 4.672 4.120 0.002 0.000 0.298 34 V C -1.213 174.882 176.094 0.001 0.000 1.028 34 V CA -0.739 61.622 62.300 0.102 0.000 0.860 34 V CB 1.859 33.852 31.823 0.283 0.000 0.991 34 V HN 0.765 nan 8.190 nan 0.000 0.427 35 Y N 2.901 123.374 120.300 0.287 0.000 2.353 35 Y HA 0.713 5.265 4.550 0.002 0.000 0.340 35 Y C 0.482 176.592 175.900 0.350 0.000 0.972 35 Y CA -0.420 57.859 58.100 0.299 0.000 1.157 35 Y CB 1.742 40.394 38.460 0.319 0.000 1.157 35 Y HN 0.716 nan 8.280 nan 0.000 0.495 36 A N 2.546 125.618 122.820 0.419 0.000 2.330 36 A HA 0.856 5.177 4.320 0.002 0.000 0.313 36 A C -0.587 177.138 177.584 0.234 0.000 1.124 36 A CA -0.669 51.559 52.037 0.319 0.000 0.774 36 A CB 0.525 19.608 19.000 0.138 0.000 1.198 36 A HN 0.794 nan 8.150 nan 0.000 0.465 37 A N 3.574 126.504 122.820 0.184 0.000 2.322 37 A HA 0.738 5.060 4.320 0.002 0.000 0.269 37 A C -1.721 175.921 177.584 0.097 0.000 1.094 37 A CA -1.495 50.611 52.037 0.114 0.000 0.807 37 A CB 0.289 19.339 19.000 0.084 0.000 1.047 37 A HN 0.581 nan 8.150 nan 0.000 0.487 38 P HA 0.100 nan 4.420 nan 0.000 0.255 38 P C -0.140 177.213 177.300 0.088 0.000 1.248 38 P CA 0.386 63.557 63.100 0.117 0.000 0.807 38 P CB 0.003 31.782 31.700 0.131 0.000 1.150 39 R N -2.128 118.423 120.500 0.085 0.000 2.756 39 R HA 0.419 4.761 4.340 0.002 0.000 0.273 39 R C -1.522 174.840 176.300 0.103 0.000 1.030 39 R CA -0.843 55.318 56.100 0.102 0.000 0.887 39 R CB -0.438 29.947 30.300 0.141 0.000 1.274 39 R HN -0.377 nan 8.270 nan 0.000 0.461 40 D N 0.215 120.670 120.400 0.092 0.000 2.434 40 D HA 0.196 4.837 4.640 0.002 0.000 0.252 40 D C -0.259 176.088 176.300 0.078 0.000 1.185 40 D CA 0.186 54.194 54.000 0.013 0.000 0.886 40 D CB 1.158 41.858 40.800 -0.166 0.000 1.148 40 D HN 0.377 nan 8.370 nan 0.000 0.483 41 V N 5.387 125.350 119.914 0.081 0.000 2.925 41 V HA 0.198 4.319 4.120 0.002 0.000 0.361 41 V C 1.681 177.866 176.094 0.153 0.000 1.361 41 V CA -0.366 62.015 62.300 0.134 0.000 1.184 41 V CB -0.003 31.872 31.823 0.085 0.000 1.245 41 V HN 0.534 nan 8.190 nan 0.000 0.575 42 R N 0.552 121.073 120.500 0.036 0.000 2.119 42 R HA 0.094 4.435 4.340 0.002 0.000 0.222 42 R C 0.534 176.853 176.300 0.031 0.000 1.088 42 R CA 0.679 56.803 56.100 0.040 0.000 0.984 42 R CB 0.395 30.671 30.300 -0.040 0.000 0.884 42 R HN 0.567 nan 8.270 nan 0.000 0.447 43 E N 0.128 120.307 120.200 -0.035 0.000 2.301 43 E HA 0.112 4.464 4.350 0.002 0.000 0.275 43 E C 0.495 177.193 176.600 0.163 0.000 1.030 43 E CA -0.294 56.125 56.400 0.032 0.000 0.852 43 E CB 1.228 30.901 29.700 -0.045 0.000 1.060 43 E HN 0.083 nan 8.360 nan 0.000 0.401 44 R N 0.607 121.195 120.500 0.148 0.000 2.120 44 R HA -0.121 4.220 4.340 0.002 0.000 0.234 44 R C 2.046 178.443 176.300 0.162 0.000 1.123 44 R CA 1.830 58.018 56.100 0.146 0.000 0.975 44 R CB -0.405 29.959 30.300 0.107 0.000 0.866 44 R HN 0.609 nan 8.270 nan 0.000 0.446 45 T N -2.813 111.868 114.554 0.211 0.000 3.072 45 T HA -0.097 4.255 4.350 0.002 0.000 0.266 45 T C 0.981 175.795 174.700 0.189 0.000 1.127 45 T CA 0.526 62.736 62.100 0.185 0.000 1.107 45 T CB -0.092 68.889 68.868 0.189 0.000 0.910 45 T HN 0.333 nan 8.240 nan 0.000 0.513 46 W N 1.553 122.856 121.300 0.004 0.000 3.220 46 W HA 0.431 5.092 4.660 0.002 0.000 0.328 46 W C 1.204 177.705 176.519 -0.031 0.000 1.205 46 W CA -0.970 56.371 57.345 -0.006 0.000 1.773 46 W CB -0.034 29.430 29.460 0.007 0.000 1.086 46 W HN 0.250 nan 8.180 nan 0.000 0.622 47 Q N 1.973 121.865 119.800 0.154 0.000 2.642 47 Q HA 0.156 4.497 4.340 0.002 0.000 0.319 47 Q C -0.119 175.856 176.000 -0.042 0.000 1.030 47 Q CA 0.295 56.108 55.803 0.016 0.000 0.943 47 Q CB -0.402 28.346 28.738 0.016 0.000 1.323 47 Q HN 0.016 nan 8.270 nan 0.000 0.419 48 L N -4.549 116.654 121.223 -0.034 0.000 2.940 48 L HA 0.504 4.845 4.340 0.002 0.000 0.270 48 L C -0.830 176.006 176.870 -0.056 0.000 1.030 48 L CA -0.835 53.972 54.840 -0.055 0.000 0.928 48 L CB 0.718 42.749 42.059 -0.047 0.000 1.506 48 L HN -0.019 nan 8.230 nan 0.000 0.405 49 D N 0.268 120.634 120.400 -0.057 0.000 2.689 49 D HA -0.110 4.531 4.640 0.002 0.000 0.237 49 D C -0.170 176.104 176.300 -0.044 0.000 1.148 49 D CA 1.819 55.787 54.000 -0.053 0.000 0.656 49 D CB -0.597 40.161 40.800 -0.069 0.000 1.050 49 D HN 1.056 nan 8.370 nan 0.000 0.426 50 T N -1.192 113.336 114.554 -0.043 0.000 2.982 50 T HA 0.564 4.915 4.350 0.002 0.000 0.321 50 T C -2.645 172.021 174.700 -0.057 0.000 1.229 50 T CA -1.239 60.839 62.100 -0.037 0.000 1.044 50 T CB 1.608 70.461 68.868 -0.024 0.000 1.184 50 T HN -0.219 nan 8.240 nan 0.000 0.477 51 P HA 0.620 nan 4.420 nan 0.000 0.274 51 P C -1.493 175.708 177.300 -0.165 0.000 1.256 51 P CA -0.667 62.353 63.100 -0.132 0.000 0.795 51 P CB 0.449 32.032 31.700 -0.195 0.000 1.038 52 L N 0.988 122.074 121.223 -0.227 0.000 2.516 52 L HA 0.468 4.809 4.340 0.002 0.000 0.267 52 L C -1.543 175.226 176.870 -0.168 0.000 0.957 52 L CA -0.307 54.456 54.840 -0.128 0.000 0.860 52 L CB 0.860 42.898 42.059 -0.034 0.000 1.265 52 L HN 0.125 nan 8.230 nan 0.000 0.403 53 F N 2.272 122.258 119.950 0.060 0.000 2.384 53 F HA 0.599 5.128 4.527 0.002 0.000 0.338 53 F C 0.714 176.567 175.800 0.087 0.000 1.103 53 F CA -0.080 57.950 58.000 0.050 0.000 1.157 53 F CB 1.828 40.822 39.000 -0.009 0.000 1.167 53 F HN 0.361 nan 8.300 nan 0.000 0.529 54 T N 4.940 119.636 114.554 0.236 0.000 2.864 54 T HA 0.519 4.871 4.350 0.002 0.000 0.310 54 T C -0.676 174.033 174.700 0.016 0.000 1.040 54 T CA -0.493 61.628 62.100 0.035 0.000 0.977 54 T CB 0.349 69.221 68.868 0.008 0.000 0.976 54 T HN 0.155 nan 8.240 nan 0.000 0.459 55 L N 3.505 124.726 121.223 -0.004 0.000 2.272 55 L HA 0.569 4.910 4.340 0.002 0.000 0.289 55 L C 0.445 177.247 176.870 -0.113 0.000 1.032 55 L CA -0.385 54.428 54.840 -0.044 0.000 0.810 55 L CB 1.039 43.171 42.059 0.122 0.000 1.205 55 L HN 0.399 nan 8.230 nan 0.000 0.422 56 R N 2.949 123.300 120.500 -0.248 0.000 2.387 56 R HA 0.613 4.954 4.340 0.002 0.000 0.314 56 R C -1.557 174.558 176.300 -0.308 0.000 0.958 56 R CA -0.482 55.526 56.100 -0.152 0.000 0.846 56 R CB 0.798 31.031 30.300 -0.111 0.000 1.147 56 R HN 0.333 nan 8.270 nan 0.000 0.447 57 F N 5.903 125.748 119.950 -0.175 0.000 2.458 57 F HA 0.521 5.049 4.527 0.002 0.000 0.336 57 F C -0.432 174.947 175.800 -0.703 0.000 1.114 57 F CA -0.621 57.086 58.000 -0.489 0.000 0.987 57 F CB 1.397 39.984 39.000 -0.687 0.000 1.130 57 F HN 0.428 nan 8.300 nan 0.000 0.458 58 F N -0.396 119.161 119.950 -0.655 0.000 2.686 58 F HA 0.733 5.261 4.527 0.002 0.000 0.311 58 F C -1.024 174.812 175.800 0.060 0.000 1.128 58 F CA -1.536 56.271 58.000 -0.322 0.000 0.946 58 F CB 1.517 40.465 39.000 -0.086 0.000 1.336 58 F HN 0.251 nan 8.300 nan 0.000 0.457 59 S N 1.773 117.703 115.700 0.385 0.000 2.659 59 S HA 0.568 5.039 4.470 0.002 0.000 0.312 59 S C -2.231 172.495 174.600 0.211 0.000 1.114 59 S CA -1.438 56.905 58.200 0.240 0.000 1.063 59 S CB 1.531 64.917 63.200 0.309 0.000 0.996 59 S HN 0.628 nan 8.310 nan 0.000 0.478 60 P HA 0.159 nan 4.420 nan 0.000 0.261 60 P C -0.236 177.006 177.300 -0.096 0.000 1.268 60 P CA 0.267 63.403 63.100 0.060 0.000 0.833 60 P CB 0.227 31.932 31.700 0.008 0.000 1.231 61 Q N -0.487 119.229 119.800 -0.140 0.000 2.666 61 Q HA 0.123 4.464 4.340 0.002 0.000 0.276 61 Q C -1.210 174.727 176.000 -0.104 0.000 0.952 61 Q CA -0.617 55.098 55.803 -0.146 0.000 0.850 61 Q CB 1.326 29.900 28.738 -0.274 0.000 1.512 61 Q HN -0.193 nan 8.270 nan 0.000 0.395 62 E N 1.074 121.233 120.200 -0.069 0.000 2.493 62 E HA 0.121 4.472 4.350 0.002 0.000 0.255 62 E C 0.420 176.988 176.600 -0.054 0.000 0.999 62 E CA 2.044 58.414 56.400 -0.050 0.000 0.934 62 E CB 0.112 29.787 29.700 -0.041 0.000 0.940 62 E HN 0.873 nan 8.360 nan 0.000 0.473 63 G N 4.431 113.211 108.800 -0.034 0.000 2.136 63 G HA2 -0.235 3.726 3.960 0.002 0.000 0.242 63 G HA3 -0.235 3.726 3.960 0.002 0.000 0.242 63 G C 0.206 175.096 174.900 -0.016 0.000 0.989 63 G CA 0.296 45.386 45.100 -0.017 0.000 0.682 63 G HN 0.521 nan 8.290 nan 0.000 0.522 64 I N 0.268 120.815 120.570 -0.040 0.000 2.499 64 I HA 0.461 4.632 4.170 0.002 0.000 0.288 64 I C -0.281 175.846 176.117 0.015 0.000 1.048 64 I CA -1.127 60.136 61.300 -0.060 0.000 1.062 64 I CB 2.334 40.165 38.000 -0.282 0.000 1.238 64 I HN -0.121 nan 8.210 nan 0.000 0.426 65 V N 4.973 124.928 119.914 0.068 0.000 2.409 65 V HA 0.590 4.711 4.120 0.002 0.000 0.291 65 V C 0.513 176.531 176.094 -0.127 0.000 1.020 65 V CA -0.497 61.850 62.300 0.077 0.000 0.848 65 V CB 1.673 33.653 31.823 0.262 0.000 0.990 65 V HN 0.871 nan 8.190 nan 0.000 0.430 66 G N 3.329 111.803 108.800 -0.544 0.000 2.367 66 G HA2 0.608 4.569 3.960 0.002 0.000 0.314 66 G HA3 0.608 4.569 3.960 0.002 0.000 0.314 66 G C -1.059 173.191 174.900 -1.084 0.000 1.130 66 G CA -0.410 43.951 45.100 -1.231 0.000 0.864 66 G HN 0.557 nan 8.290 nan 0.000 0.486 67 V N 2.195 121.510 119.914 -0.998 0.000 2.483 67 V HA 0.539 4.660 4.120 0.002 0.000 0.297 67 V C -0.024 175.690 176.094 -0.633 0.000 1.027 67 V CA -0.883 60.875 62.300 -0.904 0.000 0.855 67 V CB 1.702 32.916 31.823 -1.014 0.000 0.995 67 V HN 0.805 nan 8.190 nan 0.000 0.424 68 R N 5.210 125.483 120.500 -0.379 0.000 2.388 68 R HA 0.632 4.973 4.340 0.002 0.000 0.314 68 R C -1.398 174.852 176.300 -0.084 0.000 0.959 68 R CA -0.516 55.521 56.100 -0.104 0.000 0.851 68 R CB 1.045 31.340 30.300 -0.008 0.000 1.168 68 R HN 0.736 nan 8.270 nan 0.000 0.472 69 I N 5.462 126.055 120.570 0.038 0.000 2.328 69 I HA 0.219 4.390 4.170 0.002 0.000 0.287 69 I C 0.086 176.344 176.117 0.235 0.000 1.012 69 I CA -0.429 60.926 61.300 0.092 0.000 1.195 69 I CB 1.345 39.379 38.000 0.057 0.000 1.350 69 I HN 0.589 nan 8.210 nan 0.000 0.464 70 E N 5.312 125.659 120.200 0.246 0.000 2.277 70 E HA 0.400 4.752 4.350 0.002 0.000 0.266 70 E C -0.583 176.172 176.600 0.258 0.000 0.901 70 E CA -0.735 55.838 56.400 0.289 0.000 0.782 70 E CB 2.548 32.379 29.700 0.217 0.000 1.228 70 E HN 0.586 nan 8.360 nan 0.000 0.424 71 H N 1.568 120.658 119.070 0.034 0.000 2.587 71 H HA 0.204 4.761 4.556 0.002 0.000 0.312 71 H C -0.398 174.875 175.328 -0.091 0.000 1.314 71 H CA -0.191 55.671 56.048 -0.310 0.000 1.962 71 H CB 0.343 29.655 29.762 -0.751 0.000 1.536 71 H HN 0.397 nan 8.280 nan 0.000 0.619 72 F N 2.238 121.986 119.950 -0.336 0.000 2.411 72 F HA 0.222 4.750 4.527 0.002 0.000 0.350 72 F C 1.304 177.065 175.800 -0.065 0.000 1.114 72 F CA -0.267 57.565 58.000 -0.280 0.000 1.135 72 F CB 1.524 40.389 39.000 -0.225 0.000 1.120 72 F HN 0.412 nan 8.300 nan 0.000 0.495 73 Q N 1.777 121.645 119.800 0.113 0.000 2.392 73 Q HA 0.107 4.448 4.340 0.002 0.000 0.203 73 Q C 1.871 177.886 176.000 0.025 0.000 0.917 73 Q CA 0.386 56.222 55.803 0.055 0.000 0.939 73 Q CB 0.370 29.115 28.738 0.011 0.000 1.063 73 Q HN 0.987 nan 8.270 nan 0.000 0.516 74 G N 0.377 109.172 108.800 -0.008 0.000 2.920 74 G HA2 0.250 4.211 3.960 0.002 0.000 0.208 74 G HA3 0.250 4.211 3.960 0.002 0.000 0.208 74 G C 0.371 175.278 174.900 0.011 0.000 1.159 74 G CA 0.230 45.308 45.100 -0.037 0.000 0.784 74 G HN 0.290 nan 8.290 nan 0.000 0.535 75 A N 0.056 122.921 122.820 0.077 0.000 2.351 75 A HA 0.622 4.943 4.320 0.002 0.000 0.257 75 A C 0.242 177.882 177.584 0.095 0.000 1.087 75 A CA -0.485 51.616 52.037 0.106 0.000 0.798 75 A CB 0.423 19.528 19.000 0.175 0.000 1.033 75 A HN 0.245 nan 8.150 nan 0.000 0.488 76 L N 1.997 123.273 121.223 0.088 0.000 2.410 76 L HA 0.163 4.505 4.340 0.002 0.000 0.273 76 L C 0.057 177.000 176.870 0.122 0.000 1.144 76 L CA -0.083 54.807 54.840 0.084 0.000 0.863 76 L CB 0.207 42.307 42.059 0.070 0.000 1.140 76 L HN 0.616 nan 8.230 nan 0.000 0.463 77 N N 3.408 122.187 118.700 0.131 0.000 2.813 77 N HA 0.221 4.962 4.740 0.002 0.000 0.282 77 N C -0.663 174.961 175.510 0.190 0.000 1.748 77 N CA -0.269 52.899 53.050 0.196 0.000 0.860 77 N CB 0.554 39.176 38.487 0.224 0.000 1.204 77 N HN 0.642 nan 8.380 nan 0.000 0.490 78 N N -0.825 117.945 118.700 0.117 0.000 2.415 78 N HA 0.235 4.977 4.740 0.002 0.000 0.248 78 N C 1.106 176.556 175.510 -0.100 0.000 1.271 78 N CA -0.086 52.993 53.050 0.049 0.000 0.913 78 N CB 1.065 39.574 38.487 0.036 0.000 1.129 78 N HN 0.255 nan 8.380 nan 0.000 0.444 79 G N 0.295 108.942 108.800 -0.255 0.000 2.508 79 G HA2 0.266 4.227 3.960 0.002 0.000 0.278 79 G HA3 0.266 4.227 3.960 0.002 0.000 0.278 79 G C -2.330 172.352 174.900 -0.363 0.000 1.389 79 G CA -0.701 43.998 45.100 -0.669 0.000 1.050 79 G HN 0.354 nan 8.290 nan 0.000 0.522 80 P HA 0.196 nan 4.420 nan 0.000 0.274 80 P C -0.948 175.915 177.300 -0.730 0.000 1.246 80 P CA 0.049 62.843 63.100 -0.510 0.000 0.795 80 P CB 1.009 32.456 31.700 -0.422 0.000 1.006 81 H N -0.896 117.967 119.070 -0.346 0.000 2.797 81 H HA 0.296 4.853 4.556 0.002 0.000 0.372 81 H C -0.046 175.079 175.328 -0.338 0.000 1.168 81 H CA -0.528 55.335 56.048 -0.308 0.000 1.163 81 H CB 0.583 30.257 29.762 -0.146 0.000 1.778 81 H HN 0.435 nan 8.280 nan 0.000 0.551 82 Y N 1.787 122.005 120.300 -0.137 0.000 2.578 82 Y HA 0.019 4.570 4.550 0.002 0.000 0.339 82 Y C -1.260 174.488 175.900 -0.254 0.000 1.231 82 Y CA -1.547 56.414 58.100 -0.232 0.000 1.461 82 Y CB 0.531 38.889 38.460 -0.171 0.000 1.323 82 Y HN 0.333 nan 8.280 nan 0.000 0.590 83 P HA 0.092 nan 4.420 nan 0.000 0.230 83 P C -0.883 176.259 177.300 -0.263 0.000 1.791 83 P CA 0.350 63.333 63.100 -0.196 0.000 1.020 83 P CB -0.464 31.075 31.700 -0.268 0.000 1.977 84 L N 1.699 122.761 121.223 -0.268 0.000 2.395 84 L HA 0.278 4.620 4.340 0.002 0.000 0.269 84 L C 0.963 177.710 176.870 -0.205 0.000 1.133 84 L CA -0.377 54.188 54.840 -0.457 0.000 0.812 84 L CB 0.312 42.057 42.059 -0.523 0.000 1.125 84 L HN 0.085 nan 8.230 nan 0.000 0.452 85 N N 4.050 122.662 118.700 -0.147 0.000 2.645 85 N HA 0.342 5.084 4.740 0.002 0.000 0.233 85 N C -0.599 175.021 175.510 0.184 0.000 1.058 85 N CA -0.034 53.033 53.050 0.030 0.000 0.942 85 N CB 0.948 39.442 38.487 0.011 0.000 1.210 85 N HN 0.446 nan 8.380 nan 0.000 0.512 86 I N 3.587 124.243 120.570 0.144 0.000 2.307 86 I HA 0.204 4.375 4.170 0.002 0.000 0.287 86 I C 0.575 176.754 176.117 0.102 0.000 1.054 86 I CA -0.511 60.891 61.300 0.171 0.000 1.218 86 I CB 0.653 38.766 38.000 0.187 0.000 1.398 86 I HN 0.132 nan 8.210 nan 0.000 0.475 87 L N 5.880 127.150 121.223 0.079 0.000 2.452 87 L HA 0.137 4.478 4.340 0.002 0.000 0.267 87 L C 1.181 178.095 176.870 0.072 0.000 1.188 87 L CA -0.291 54.582 54.840 0.055 0.000 0.821 87 L CB 0.447 42.525 42.059 0.032 0.000 1.102 87 L HN 0.600 nan 8.230 nan 0.000 0.470 88 Q N 0.901 120.736 119.800 0.058 0.000 2.378 88 Q HA 0.015 4.356 4.340 0.002 0.000 0.216 88 Q C 0.259 176.296 176.000 0.063 0.000 0.892 88 Q CA 0.447 56.287 55.803 0.063 0.000 0.931 88 Q CB 0.501 29.266 28.738 0.045 0.000 1.086 88 Q HN 0.756 nan 8.270 nan 0.000 0.528 89 D N -0.396 120.034 120.400 0.051 0.000 2.538 89 D HA 0.072 4.713 4.640 0.002 0.000 0.231 89 D C 0.225 176.549 176.300 0.040 0.000 1.229 89 D CA -0.371 53.655 54.000 0.044 0.000 0.828 89 D CB 0.357 41.174 40.800 0.029 0.000 1.035 89 D HN -0.228 nan 8.370 nan 0.000 0.495 90 V N 1.395 121.339 119.914 0.050 0.000 2.681 90 V HA -0.102 4.019 4.120 0.002 0.000 0.306 90 V C 1.039 177.146 176.094 0.022 0.000 1.077 90 V CA 0.247 62.568 62.300 0.035 0.000 1.224 90 V CB 0.443 32.296 31.823 0.051 0.000 0.879 90 V HN 0.112 nan 8.190 nan 0.000 0.494 91 K N 4.878 125.274 120.400 -0.007 0.000 2.383 91 K HA 0.330 4.651 4.320 0.002 0.000 0.286 91 K C -0.507 176.050 176.600 -0.073 0.000 1.051 91 K CA 0.172 56.441 56.287 -0.030 0.000 0.974 91 K CB 0.767 33.246 32.500 -0.034 0.000 0.968 91 K HN 0.683 nan 8.250 nan 0.000 0.475 92 V N 0.143 119.994 119.914 -0.105 0.000 3.078 92 V HA 0.675 4.796 4.120 0.002 0.000 0.311 92 V C -0.549 175.403 176.094 -0.237 0.000 1.138 92 V CA -0.868 61.279 62.300 -0.254 0.000 1.007 92 V CB 1.979 33.559 31.823 -0.404 0.000 1.045 92 V HN 0.669 nan 8.190 nan 0.000 0.432 93 T N 2.786 117.146 114.554 -0.324 0.000 2.841 93 T HA 0.738 5.089 4.350 0.002 0.000 0.285 93 T C -0.957 173.601 174.700 -0.237 0.000 0.991 93 T CA -0.394 61.580 62.100 -0.210 0.000 0.966 93 T CB 0.710 69.488 68.868 -0.151 0.000 0.962 93 T HN 0.719 nan 8.240 nan 0.000 0.438 94 I N 4.036 124.538 120.570 -0.114 0.000 2.404 94 I HA 0.479 4.650 4.170 0.002 0.000 0.293 94 I C -0.035 176.066 176.117 -0.026 0.000 0.992 94 I CA -0.734 60.543 61.300 -0.039 0.000 1.149 94 I CB 1.973 40.016 38.000 0.071 0.000 1.315 94 I HN 0.610 nan 8.210 nan 0.000 0.446 95 E N 4.449 124.633 120.200 -0.025 0.000 2.255 95 E HA 0.240 4.591 4.350 0.002 0.000 0.256 95 E C -1.089 175.508 176.600 -0.005 0.000 0.887 95 E CA -0.643 55.747 56.400 -0.017 0.000 0.782 95 E CB 1.718 31.403 29.700 -0.024 0.000 1.214 95 E HN 0.353 nan 8.360 nan 0.000 0.417 96 N N 2.828 121.529 118.700 0.002 0.000 2.621 96 N HA 0.145 4.886 4.740 0.002 0.000 0.237 96 N C -0.831 174.677 175.510 -0.004 0.000 0.997 96 N CA -0.167 52.884 53.050 0.003 0.000 0.918 96 N CB 0.792 39.285 38.487 0.010 0.000 1.122 96 N HN 0.487 nan 8.380 nan 0.000 0.510 97 T N -0.676 113.874 114.554 -0.006 0.000 2.864 97 T HA 0.312 4.664 4.350 0.002 0.000 0.276 97 T C 0.977 175.643 174.700 -0.057 0.000 1.006 97 T CA -0.485 61.597 62.100 -0.030 0.000 0.970 97 T CB 0.813 69.662 68.868 -0.032 0.000 1.420 97 T HN 0.393 nan 8.240 nan 0.000 0.601 98 E N -0.364 119.786 120.200 -0.084 0.000 2.204 98 E HA -0.067 4.284 4.350 0.002 0.000 0.194 98 E C 2.005 178.516 176.600 -0.147 0.000 0.989 98 E CA 0.715 57.057 56.400 -0.098 0.000 0.824 98 E CB 0.094 29.738 29.700 -0.093 0.000 0.756 98 E HN 0.520 nan 8.360 nan 0.000 0.477 99 R N -1.686 118.659 120.500 -0.258 0.000 2.316 99 R HA 0.187 4.528 4.340 0.002 0.000 0.201 99 R C -0.034 175.999 176.300 -0.446 0.000 0.888 99 R CA 0.054 55.895 56.100 -0.431 0.000 1.041 99 R CB 0.791 30.658 30.300 -0.720 0.000 1.115 99 R HN 0.080 nan 8.270 nan 0.000 0.559 100 Y N -0.579 119.672 120.300 -0.082 0.000 2.634 100 Y HA 0.659 5.210 4.550 0.002 0.000 0.340 100 Y C -0.557 175.271 175.900 -0.121 0.000 1.058 100 Y CA -1.648 56.380 58.100 -0.121 0.000 1.081 100 Y CB 2.126 40.509 38.460 -0.128 0.000 1.295 100 Y HN -0.172 nan 8.280 nan 0.000 0.487 101 A N 1.756 124.590 122.820 0.023 0.000 2.410 101 A HA 0.521 4.842 4.320 0.002 0.000 0.289 101 A C -1.327 176.155 177.584 -0.170 0.000 1.200 101 A CA -0.479 51.514 52.037 -0.074 0.000 0.751 101 A CB 0.929 19.864 19.000 -0.109 0.000 1.161 101 A HN 0.742 nan 8.150 nan 0.000 0.459 102 E N 2.143 122.271 120.200 -0.120 0.000 2.210 102 E HA 0.600 4.952 4.350 0.002 0.000 0.266 102 E C -1.858 174.695 176.600 -0.077 0.000 0.883 102 E CA -0.533 55.772 56.400 -0.158 0.000 0.761 102 E CB 1.339 30.952 29.700 -0.144 0.000 1.156 102 E HN 0.537 nan 8.360 nan 0.000 0.412 103 F N 4.275 124.070 119.950 -0.257 0.000 2.467 103 F HA 0.491 5.019 4.527 0.002 0.000 0.336 103 F C -0.934 174.814 175.800 -0.087 0.000 1.123 103 F CA -0.581 57.330 58.000 -0.147 0.000 0.964 103 F CB 1.069 39.983 39.000 -0.144 0.000 1.136 103 F HN 0.285 nan 8.300 nan 0.000 0.447 104 K N 4.015 124.079 120.400 -0.561 0.000 2.427 104 K HA 0.601 4.922 4.320 0.002 0.000 0.252 104 K C -1.640 174.693 176.600 -0.445 0.000 0.931 104 K CA -0.710 55.368 56.287 -0.347 0.000 0.793 104 K CB 1.931 34.307 32.500 -0.208 0.000 1.211 104 K HN 0.586 nan 8.250 nan 0.000 0.426 105 S N 2.616 118.190 115.700 -0.208 0.000 2.733 105 S HA 0.623 5.094 4.470 0.002 0.000 0.294 105 S C 0.106 174.666 174.600 -0.066 0.000 1.149 105 S CA 0.505 58.623 58.200 -0.137 0.000 1.034 105 S CB 0.828 64.007 63.200 -0.034 0.000 1.015 105 S HN 1.083 nan 8.310 nan 0.000 0.486 106 G N 5.475 114.234 108.800 -0.068 0.000 2.561 106 G HA2 -0.333 3.628 3.960 0.002 0.000 0.289 106 G HA3 -0.333 3.628 3.960 0.002 0.000 0.289 106 G C 0.482 175.356 174.900 -0.042 0.000 1.169 106 G CA 0.736 45.809 45.100 -0.045 0.000 0.980 106 G HN 0.751 nan 8.290 nan 0.000 0.550 107 N N -0.019 118.666 118.700 -0.025 0.000 2.325 107 N HA 0.340 5.082 4.740 0.002 0.000 0.182 107 N C 0.733 176.237 175.510 -0.011 0.000 1.088 107 N CA -0.146 52.891 53.050 -0.021 0.000 0.879 107 N CB 0.517 38.998 38.487 -0.011 0.000 0.983 107 N HN 0.362 nan 8.380 nan 0.000 0.471 108 L N 1.563 122.788 121.223 0.004 0.000 2.292 108 L HA 0.353 4.694 4.340 0.002 0.000 0.284 108 L C -0.248 176.652 176.870 0.049 0.000 1.065 108 L CA -0.267 54.597 54.840 0.040 0.000 0.806 108 L CB 0.819 42.919 42.059 0.069 0.000 1.175 108 L HN 0.115 nan 8.230 nan 0.000 0.431 109 S N 3.348 119.085 115.700 0.061 0.000 2.599 109 S HA 0.855 5.327 4.470 0.002 0.000 0.287 109 S C -0.785 173.858 174.600 0.072 0.000 1.105 109 S CA -0.776 57.449 58.200 0.042 0.000 0.899 109 S CB 2.153 65.316 63.200 -0.062 0.000 1.100 109 S HN 0.717 nan 8.310 nan 0.000 0.482 110 A N 1.802 124.638 122.820 0.027 0.000 2.318 110 A HA 0.806 5.127 4.320 0.002 0.000 0.317 110 A C -0.266 177.082 177.584 -0.393 0.000 1.159 110 A CA -0.782 51.130 52.037 -0.210 0.000 0.799 110 A CB 0.963 19.980 19.000 0.028 0.000 1.194 110 A HN 0.800 nan 8.150 nan 0.000 0.479 111 R N 2.805 123.016 120.500 -0.482 0.000 2.480 111 R HA 0.587 4.928 4.340 0.002 0.000 0.306 111 R C -1.842 174.165 176.300 -0.489 0.000 0.958 111 R CA -0.310 55.511 56.100 -0.466 0.000 0.861 111 R CB 1.725 31.735 30.300 -0.484 0.000 1.171 111 R HN 0.490 nan 8.270 nan 0.000 0.445 112 V N 3.097 122.741 119.914 -0.450 0.000 2.398 112 V HA 0.286 4.407 4.120 0.002 0.000 0.286 112 V C 0.034 175.946 176.094 -0.302 0.000 1.026 112 V CA -0.609 61.391 62.300 -0.500 0.000 0.868 112 V CB 1.792 33.316 31.823 -0.497 0.000 0.982 112 V HN 0.753 nan 8.190 nan 0.000 0.443 113 S N 4.777 120.279 115.700 -0.330 0.000 2.513 113 S HA 0.407 4.878 4.470 0.002 0.000 0.276 113 S C 0.049 174.606 174.600 -0.073 0.000 1.254 113 S CA -0.686 57.494 58.200 -0.034 0.000 1.053 113 S CB 0.679 63.890 63.200 0.019 0.000 0.958 113 S HN 0.641 nan 8.310 nan 0.000 0.491 114 K N 1.448 121.848 120.400 -0.001 0.000 2.098 114 K HA 0.661 4.982 4.320 0.002 0.000 0.244 114 K C 0.931 177.577 176.600 0.076 0.000 1.014 114 K CA -0.133 56.176 56.287 0.037 0.000 0.917 114 K CB 0.490 32.991 32.500 0.002 0.000 1.072 114 K HN 0.849 nan 8.250 nan 0.000 0.477 115 G N 0.908 109.769 108.800 0.101 0.000 2.615 115 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 115 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 115 G C 0.278 175.250 174.900 0.120 0.000 1.339 115 G CA -0.059 45.102 45.100 0.103 0.000 0.884 115 G HN 0.575 nan 8.290 nan 0.000 0.559 116 E N -0.345 119.898 120.200 0.072 0.000 2.204 116 E HA 0.099 4.451 4.350 0.002 0.000 0.195 116 E C 1.057 177.499 176.600 -0.263 0.000 0.990 116 E CA 1.239 57.565 56.400 -0.124 0.000 0.821 116 E CB -0.116 29.419 29.700 -0.275 0.000 0.750 116 E HN 0.353 nan 8.360 nan 0.000 0.477 117 F N 0.710 120.717 119.950 0.096 0.000 2.359 117 F HA 0.162 4.690 4.527 0.002 0.000 0.355 117 F C 0.360 176.247 175.800 0.145 0.000 1.132 117 F CA -1.189 56.877 58.000 0.110 0.000 1.246 117 F CB 0.063 39.100 39.000 0.062 0.000 1.569 117 F HN -0.017 nan 8.300 nan 0.000 0.561 118 W N 2.948 124.311 121.300 0.104 0.000 2.209 118 W HA 0.337 4.998 4.660 0.002 0.000 0.344 118 W C -0.510 176.061 176.519 0.087 0.000 1.285 118 W CA 0.480 57.876 57.345 0.086 0.000 1.267 118 W CB 1.186 30.674 29.460 0.047 0.000 1.167 118 W HN 0.384 nan 8.180 nan 0.000 0.574 119 S N 6.420 121.705 115.700 -0.692 0.000 2.570 119 S HA 0.380 4.851 4.470 0.002 0.000 0.286 119 S C -1.771 172.436 174.600 -0.655 0.000 1.143 119 S CA -0.833 57.117 58.200 -0.417 0.000 0.921 119 S CB 0.681 63.791 63.200 -0.150 0.000 1.108 119 S HN 0.534 nan 8.310 nan 0.000 0.456 120 L N 4.634 125.647 121.223 -0.350 0.000 2.318 120 L HA 0.598 4.939 4.340 0.002 0.000 0.277 120 L C -1.364 175.321 176.870 -0.309 0.000 1.008 120 L CA -0.339 54.310 54.840 -0.318 0.000 0.846 120 L CB 0.757 42.801 42.059 -0.024 0.000 1.220 120 L HN 0.692 nan 8.230 nan 0.000 0.423 121 D N 4.449 124.585 120.400 -0.440 0.000 2.342 121 D HA 0.393 5.034 4.640 0.002 0.000 0.243 121 D C -1.097 174.859 176.300 -0.575 0.000 1.019 121 D CA -0.072 53.704 54.000 -0.374 0.000 0.864 121 D CB 2.357 42.998 40.800 -0.265 0.000 1.315 121 D HN 0.212 nan 8.370 nan 0.000 0.468 122 F N 1.239 121.149 119.950 -0.067 0.000 2.402 122 F HA 0.389 4.917 4.527 0.002 0.000 0.355 122 F C 0.107 175.841 175.800 -0.109 0.000 1.123 122 F CA -0.729 57.230 58.000 -0.069 0.000 1.021 122 F CB 1.134 40.097 39.000 -0.061 0.000 1.160 122 F HN -0.049 nan 8.300 nan 0.000 0.451 123 L N 3.466 124.708 121.223 0.031 0.000 2.342 123 L HA 0.644 4.985 4.340 0.002 0.000 0.271 123 L C -0.278 176.590 176.870 -0.003 0.000 1.008 123 L CA -1.048 53.779 54.840 -0.022 0.000 0.818 123 L CB 2.219 44.226 42.059 -0.087 0.000 1.296 123 L HN 0.504 nan 8.230 nan 0.000 0.427 124 R N 2.689 123.181 120.500 -0.014 0.000 2.310 124 R HA 0.262 4.603 4.340 0.002 0.000 0.316 124 R C -0.744 175.545 176.300 -0.018 0.000 1.004 124 R CA -0.402 55.694 56.100 -0.007 0.000 0.900 124 R CB 0.319 30.622 30.300 0.005 0.000 1.152 124 R HN 0.768 nan 8.270 nan 0.000 0.513 125 N N 3.294 121.979 118.700 -0.026 0.000 2.696 125 N HA -0.194 4.547 4.740 0.002 0.000 0.256 125 N C 0.562 176.048 175.510 -0.039 0.000 1.031 125 N CA 1.480 54.511 53.050 -0.032 0.000 0.730 125 N CB -0.969 37.504 38.487 -0.022 0.000 0.894 125 N HN 1.102 nan 8.380 nan 0.000 0.544 126 G N -0.911 107.855 108.800 -0.056 0.000 2.196 126 G HA2 -0.369 3.593 3.960 0.002 0.000 0.268 126 G HA3 -0.369 3.593 3.960 0.002 0.000 0.268 126 G C -0.066 174.796 174.900 -0.063 0.000 0.975 126 G CA 1.039 46.097 45.100 -0.069 0.000 0.648 126 G HN 0.685 nan 8.290 nan 0.000 0.538 127 E N 0.133 120.305 120.200 -0.046 0.000 2.151 127 E HA 0.572 4.924 4.350 0.002 0.000 0.275 127 E C 0.475 177.052 176.600 -0.038 0.000 0.936 127 E CA -1.054 55.325 56.400 -0.036 0.000 0.777 127 E CB 0.453 30.143 29.700 -0.017 0.000 1.108 127 E HN 0.333 nan 8.360 nan 0.000 0.401 128 R N 5.191 125.666 120.500 -0.042 0.000 2.351 128 R HA 0.157 4.498 4.340 0.002 0.000 0.318 128 R C 0.889 177.173 176.300 -0.028 0.000 1.055 128 R CA 0.157 56.233 56.100 -0.040 0.000 0.968 128 R CB 0.098 30.372 30.300 -0.044 0.000 0.974 128 R HN 0.811 nan 8.270 nan 0.000 0.439 129 I N -0.380 120.157 120.570 -0.055 0.000 3.708 129 I HA 0.294 4.465 4.170 0.002 0.000 0.302 129 I C 0.487 176.504 176.117 -0.167 0.000 1.255 129 I CA -0.210 61.025 61.300 -0.107 0.000 1.362 129 I CB 0.802 38.676 38.000 -0.211 0.000 1.100 129 I HN 0.509 nan 8.210 nan 0.000 0.434 130 T N -0.845 113.646 114.554 -0.105 0.000 2.652 130 T HA 0.630 4.981 4.350 0.002 0.000 0.303 130 T C -1.109 173.689 174.700 0.164 0.000 1.738 130 T CA 0.081 62.179 62.100 -0.003 0.000 0.969 130 T CB 1.184 69.982 68.868 -0.118 0.000 1.778 130 T HN 0.655 nan 8.240 nan 0.000 0.494 131 G N 0.497 109.441 108.800 0.239 0.000 2.315 131 G HA2 0.488 4.449 3.960 0.002 0.000 0.294 131 G HA3 0.488 4.449 3.960 0.002 0.000 0.294 131 G C -1.446 173.586 174.900 0.219 0.000 1.300 131 G CA 0.357 45.624 45.100 0.279 0.000 0.843 131 G HN 1.054 nan 8.290 nan 0.000 0.527 132 S N -0.636 115.174 115.700 0.183 0.000 2.478 132 S HA 0.611 5.082 4.470 0.002 0.000 0.312 132 S C -0.107 174.573 174.600 0.134 0.000 1.094 132 S CA -0.371 57.923 58.200 0.156 0.000 1.081 132 S CB 1.184 64.505 63.200 0.202 0.000 1.007 132 S HN 0.572 nan 8.310 nan 0.000 0.475 133 Q N 1.940 121.805 119.800 0.108 0.000 2.260 133 Q HA 0.385 4.727 4.340 0.002 0.000 0.238 133 Q C -0.125 175.969 176.000 0.156 0.000 0.948 133 Q CA -0.664 55.210 55.803 0.118 0.000 0.895 133 Q CB 1.377 30.160 28.738 0.074 0.000 1.218 133 Q HN 0.622 nan 8.270 nan 0.000 0.470 134 V N 2.729 122.773 119.914 0.217 0.000 2.644 134 V HA -0.151 3.971 4.120 0.002 0.000 0.305 134 V C 0.215 176.276 176.094 -0.055 0.000 1.053 134 V CA 1.251 63.657 62.300 0.178 0.000 1.186 134 V CB -0.349 31.593 31.823 0.199 0.000 0.895 134 V HN 0.846 nan 8.190 nan 0.000 0.490 135 K N 3.319 123.575 120.400 -0.240 0.000 3.467 135 K HA -0.157 4.164 4.320 0.002 0.000 0.309 135 K C 0.573 176.996 176.600 -0.295 0.000 1.350 135 K CA 1.105 57.030 56.287 -0.603 0.000 0.934 135 K CB -1.258 30.896 32.500 -0.576 0.000 1.312 135 K HN 0.838 nan 8.250 nan 0.000 0.461 136 N N 1.203 119.846 118.700 -0.096 0.000 2.230 136 N HA 0.011 4.752 4.740 0.002 0.000 0.202 136 N C -0.439 175.002 175.510 -0.115 0.000 1.119 136 N CA 0.345 53.420 53.050 0.042 0.000 0.851 136 N CB 0.282 38.790 38.487 0.035 0.000 0.990 136 N HN 0.469 nan 8.380 nan 0.000 0.497 137 N N -0.842 117.603 118.700 -0.426 0.000 2.494 137 N HA 0.676 5.417 4.740 0.002 0.000 0.270 137 N C -0.050 174.884 175.510 -0.961 0.000 1.285 137 N CA -0.546 51.926 53.050 -0.964 0.000 0.812 137 N CB 1.659 39.872 38.487 -0.458 0.000 1.557 137 N HN -0.029 nan 8.380 nan 0.000 0.487 138 G N -1.239 106.892 108.800 -1.115 0.000 2.356 138 G HA2 0.215 4.176 3.960 0.002 0.000 0.266 138 G HA3 0.215 4.176 3.960 0.002 0.000 0.266 138 G C -2.418 172.418 174.900 -0.106 0.000 1.312 138 G CA -0.859 43.869 45.100 -0.620 0.000 0.922 138 G HN 0.681 nan 8.290 nan 0.000 0.480 139 Y N 0.078 120.412 120.300 0.058 0.000 2.377 139 Y HA 0.680 5.231 4.550 0.002 0.000 0.339 139 Y C -0.307 175.632 175.900 0.066 0.000 1.011 139 Y CA -0.893 57.252 58.100 0.074 0.000 1.093 139 Y CB 2.190 40.600 38.460 -0.084 0.000 1.201 139 Y HN 0.447 nan 8.280 nan 0.000 0.455 140 V N 6.722 126.437 119.914 -0.333 0.000 2.376 140 V HA 0.252 4.373 4.120 0.002 0.000 0.287 140 V C -0.666 175.147 176.094 -0.468 0.000 1.015 140 V CA -0.843 61.297 62.300 -0.266 0.000 0.834 140 V CB 1.335 33.099 31.823 -0.098 0.000 1.001 140 V HN 0.755 nan 8.190 nan 0.000 0.428 141 Q N 3.564 123.150 119.800 -0.358 0.000 2.421 141 Q HA 0.221 4.562 4.340 0.002 0.000 0.242 141 Q C -0.616 175.322 176.000 -0.103 0.000 1.024 141 Q CA -0.493 55.158 55.803 -0.252 0.000 0.891 141 Q CB 0.825 29.498 28.738 -0.109 0.000 1.222 141 Q HN 0.757 nan 8.270 nan 0.000 0.483 142 D N 3.344 123.717 120.400 -0.045 0.000 2.393 142 D HA 0.010 4.651 4.640 0.002 0.000 0.232 142 D C 0.996 177.294 176.300 -0.003 0.000 1.192 142 D CA -0.066 53.931 54.000 -0.004 0.000 0.882 142 D CB 1.327 42.177 40.800 0.083 0.000 1.038 142 D HN 0.700 nan 8.370 nan 0.000 0.499 143 T N 1.210 115.757 114.554 -0.013 0.000 3.035 143 T HA -0.099 4.252 4.350 0.002 0.000 0.268 143 T C 1.349 176.048 174.700 -0.003 0.000 1.109 143 T CA 0.421 62.518 62.100 -0.005 0.000 1.119 143 T CB 0.049 68.914 68.868 -0.005 0.000 0.900 143 T HN 0.200 nan 8.240 nan 0.000 0.503 144 N N 3.412 122.108 118.700 -0.007 0.000 2.058 144 N HA -0.098 4.643 4.740 0.002 0.000 0.191 144 N C 1.586 177.097 175.510 0.002 0.000 1.037 144 N CA 1.869 54.915 53.050 -0.007 0.000 0.848 144 N CB -0.460 38.017 38.487 -0.017 0.000 1.021 144 N HN 0.765 nan 8.380 nan 0.000 0.422 145 N N 0.068 118.775 118.700 0.012 0.000 2.205 145 N HA 0.021 4.762 4.740 0.002 0.000 0.201 145 N C -0.372 175.147 175.510 0.015 0.000 1.128 145 N CA 0.046 53.106 53.050 0.018 0.000 0.867 145 N CB -0.002 38.504 38.487 0.032 0.000 0.996 145 N HN 0.080 nan 8.380 nan 0.000 0.503 146 Q N -0.764 119.043 119.800 0.012 0.000 2.494 146 Q HA -0.208 4.133 4.340 0.002 0.000 0.272 146 Q C -0.886 175.104 176.000 -0.016 0.000 1.145 146 Q CA 0.736 56.542 55.803 0.004 0.000 0.943 146 Q CB -1.145 27.598 28.738 0.009 0.000 1.338 146 Q HN 0.525 nan 8.270 nan 0.000 0.492 147 R N -0.157 120.327 120.500 -0.026 0.000 2.828 147 R HA 0.628 4.969 4.340 0.002 0.000 0.264 147 R C -0.563 175.591 176.300 -0.243 0.000 1.022 147 R CA -0.796 55.218 56.100 -0.143 0.000 1.021 147 R CB 1.162 31.364 30.300 -0.163 0.000 1.163 147 R HN 0.093 nan 8.270 nan 0.000 0.494 148 N N 0.082 118.500 118.700 -0.471 0.000 2.269 148 N HA 0.424 5.166 4.740 0.002 0.000 0.304 148 N C -1.565 173.490 175.510 -0.758 0.000 1.072 148 N CA -0.511 52.233 53.050 -0.509 0.000 0.802 148 N CB 1.514 39.821 38.487 -0.300 0.000 1.348 148 N HN 0.345 nan 8.380 nan 0.000 0.484 152 E N 1.216 121.137 120.200 -0.466 0.000 2.413 152 E HA 0.686 5.038 4.350 0.002 0.000 0.277 152 E C -1.893 174.365 176.600 -0.570 0.000 0.958 152 E CA -0.775 55.243 56.400 -0.636 0.000 0.779 152 E CB 2.233 31.450 29.700 -0.805 0.000 1.278 152 E HN 0.756 nan 8.360 nan 0.000 0.456 153 R N 2.799 123.110 120.500 -0.315 0.000 2.518 153 R HA 0.447 4.788 4.340 0.002 0.000 0.296 153 R C -0.915 175.353 176.300 -0.053 0.000 1.080 153 R CA -0.605 55.399 56.100 -0.160 0.000 0.922 153 R CB 1.086 31.378 30.300 -0.013 0.000 1.184 153 R HN 0.433 nan 8.270 nan 0.000 0.445 154 L N 3.267 124.504 121.223 0.023 0.000 2.272 154 L HA 0.313 4.655 4.340 0.002 0.000 0.289 154 L C -0.059 176.902 176.870 0.151 0.000 1.032 154 L CA -0.951 53.980 54.840 0.152 0.000 0.810 154 L CB 1.232 43.458 42.059 0.277 0.000 1.205 154 L HN 0.402 nan 8.230 nan 0.000 0.422 155 D N 2.848 123.327 120.400 0.132 0.000 2.478 155 D HA 0.197 4.838 4.640 0.002 0.000 0.234 155 D C -0.323 176.058 176.300 0.135 0.000 1.154 155 D CA 0.215 54.278 54.000 0.105 0.000 0.874 155 D CB 1.106 41.958 40.800 0.085 0.000 1.198 155 D HN 0.021 nan 8.370 nan 0.000 0.455 156 L N 1.039 122.318 121.223 0.093 0.000 2.346 156 L HA 0.509 4.851 4.340 0.002 0.000 0.276 156 L C 0.914 177.827 176.870 0.072 0.000 1.006 156 L CA -0.466 54.430 54.840 0.094 0.000 0.817 156 L CB 1.798 43.880 42.059 0.039 0.000 1.272 156 L HN 0.416 nan 8.230 nan 0.000 0.421 157 G N 1.739 110.589 108.800 0.084 0.000 2.535 157 G HA2 0.486 4.447 3.960 0.002 0.000 0.303 157 G HA3 0.486 4.447 3.960 0.002 0.000 0.303 157 G C -0.732 174.194 174.900 0.045 0.000 1.237 157 G CA -0.647 44.490 45.100 0.062 0.000 0.986 157 G HN 0.345 nan 8.290 nan 0.000 0.494 158 V N 0.886 120.822 119.914 0.037 0.000 2.557 158 V HA 0.350 4.472 4.120 0.002 0.000 0.301 158 V C 1.665 177.780 176.094 0.035 0.000 1.026 158 V CA 1.797 64.116 62.300 0.031 0.000 1.137 158 V CB 0.305 32.144 31.823 0.027 0.000 0.917 158 V HN 1.790 nan 8.190 nan 0.000 0.484 159 G N 3.651 112.471 108.800 0.034 0.000 2.168 159 G HA2 -0.292 3.670 3.960 0.002 0.000 0.263 159 G HA3 -0.292 3.670 3.960 0.002 0.000 0.263 159 G C 0.226 175.139 174.900 0.022 0.000 0.977 159 G CA 0.448 45.571 45.100 0.039 0.000 0.659 159 G HN 0.833 nan 8.290 nan 0.000 0.533 160 E N 1.618 121.830 120.200 0.020 0.000 2.257 160 E HA 0.467 4.818 4.350 0.002 0.000 0.278 160 E C 0.716 177.285 176.600 -0.052 0.000 1.049 160 E CA 0.314 56.721 56.400 0.012 0.000 0.876 160 E CB 0.300 30.032 29.700 0.054 0.000 1.035 160 E HN 0.389 nan 8.360 nan 0.000 0.419 161 T N 0.640 115.134 114.554 -0.099 0.000 2.859 161 T HA 0.506 4.857 4.350 0.002 0.000 0.281 161 T C -0.170 174.314 174.700 -0.361 0.000 1.005 161 T CA -0.962 60.966 62.100 -0.286 0.000 1.025 161 T CB 1.514 70.109 68.868 -0.455 0.000 0.977 161 T HN 0.144 nan 8.240 nan 0.000 0.458 162 V N 3.045 122.651 119.914 -0.512 0.000 2.472 162 V HA 0.554 4.675 4.120 0.002 0.000 0.290 162 V C -1.035 174.653 176.094 -0.676 0.000 1.037 162 V CA -0.779 61.258 62.300 -0.437 0.000 0.908 162 V CB 0.449 32.030 31.823 -0.403 0.000 0.985 162 V HN 0.924 nan 8.190 nan 0.000 0.454 163 Y N 1.407 121.584 120.300 -0.204 0.000 2.605 163 Y HA 0.854 5.405 4.550 0.002 0.000 0.343 163 Y C 0.830 176.599 175.900 -0.218 0.000 1.036 163 Y CA 0.304 58.282 58.100 -0.203 0.000 1.065 163 Y CB 2.219 40.567 38.460 -0.187 0.000 1.288 163 Y HN 0.972 nan 8.280 nan 0.000 0.481 164 G N 0.115 108.894 108.800 -0.036 0.000 2.601 164 G HA2 -0.087 3.875 3.960 0.002 0.000 0.224 164 G HA3 -0.087 3.875 3.960 0.002 0.000 0.224 164 G C -0.660 174.147 174.900 -0.155 0.000 1.171 164 G CA -0.376 44.667 45.100 -0.096 0.000 1.009 164 G HN 1.111 nan 8.290 nan 0.000 0.589 165 L N 0.302 121.425 121.223 -0.167 0.000 4.232 165 L HA 0.074 4.415 4.340 0.002 0.000 0.415 165 L C 1.819 178.618 176.870 -0.119 0.000 1.168 165 L CA 2.894 57.611 54.840 -0.204 0.000 0.966 165 L CB -2.019 39.839 42.059 -0.334 0.000 2.052 165 L HN 2.971 nan 8.230 nan 0.000 0.887 166 G N -0.764 107.980 108.800 -0.093 0.000 2.582 166 G HA2 -0.178 3.783 3.960 0.002 0.000 0.222 166 G HA3 -0.178 3.783 3.960 0.002 0.000 0.222 166 G C -0.209 174.546 174.900 -0.243 0.000 1.311 166 G CA -0.010 45.009 45.100 -0.134 0.000 0.915 166 G HN 0.504 nan 8.290 nan 0.000 0.528 167 E N 1.047 121.062 120.200 -0.308 0.000 1.893 167 E HA 0.402 4.753 4.350 0.002 0.000 0.269 167 E C 0.554 176.800 176.600 -0.590 0.000 1.129 167 E CA -0.364 55.771 56.400 -0.442 0.000 0.904 167 E CB -0.057 29.421 29.700 -0.369 0.000 1.077 167 E HN 0.476 nan 8.360 nan 0.000 0.407 168 R N 3.200 123.349 120.500 -0.584 0.000 2.664 168 R HA 0.314 4.656 4.340 0.002 0.000 0.286 168 R C -0.113 175.775 176.300 -0.686 0.000 0.967 168 R CA -0.643 55.134 56.100 -0.539 0.000 0.933 168 R CB 0.798 30.951 30.300 -0.246 0.000 1.146 168 R HN 0.458 nan 8.270 nan 0.000 0.468 169 F N -0.223 119.706 119.950 -0.036 0.000 2.664 169 F HA 0.060 4.588 4.527 0.002 0.000 0.303 169 F C 1.409 177.196 175.800 -0.023 0.000 1.092 169 F CA -0.439 57.548 58.000 -0.021 0.000 1.305 169 F CB 0.240 39.250 39.000 0.016 0.000 1.054 169 F HN 0.494 nan 8.300 nan 0.000 0.565 170 T N -1.053 113.542 114.554 0.068 0.000 2.793 170 T HA 0.606 4.958 4.350 0.002 0.000 0.299 170 T C 0.733 175.427 174.700 -0.010 0.000 1.038 170 T CA -0.619 61.502 62.100 0.035 0.000 0.948 170 T CB 0.558 69.430 68.868 0.007 0.000 1.231 170 T HN 0.144 nan 8.240 nan 0.000 0.538 171 A N 0.710 123.519 122.820 -0.019 0.000 2.587 171 A HA 0.191 4.512 4.320 0.002 0.000 0.235 171 A C 1.554 179.105 177.584 -0.055 0.000 1.044 171 A CA -0.497 51.524 52.037 -0.028 0.000 0.754 171 A CB -0.628 18.359 19.000 -0.022 0.000 0.968 171 A HN 0.948 nan 8.150 nan 0.000 0.509 172 L N 3.076 124.275 121.223 -0.041 0.000 1.990 172 L HA -0.097 4.244 4.340 0.002 0.000 0.213 172 L C 0.846 177.641 176.870 -0.125 0.000 1.072 172 L CA 1.978 56.787 54.840 -0.052 0.000 0.755 172 L CB -0.383 41.682 42.059 0.010 0.000 0.889 172 L HN 0.502 nan 8.230 nan 0.000 0.432 173 V N 2.066 121.887 119.914 -0.155 0.000 2.455 173 V HA 0.069 4.191 4.120 0.002 0.000 0.273 173 V C 1.390 177.334 176.094 -0.251 0.000 1.045 173 V CA -0.299 61.778 62.300 -0.372 0.000 0.976 173 V CB 1.128 32.753 31.823 -0.329 0.000 0.993 173 V HN 0.369 nan 8.190 nan 0.000 0.475 174 R N 2.539 122.845 120.500 -0.323 0.000 2.235 174 R HA 0.021 4.362 4.340 0.002 0.000 0.213 174 R C 0.359 176.546 176.300 -0.189 0.000 1.059 174 R CA 0.022 55.980 56.100 -0.236 0.000 0.997 174 R CB -0.590 29.544 30.300 -0.278 0.000 0.884 174 R HN 0.656 nan 8.270 nan 0.000 0.462 175 N N 0.770 119.355 118.700 -0.192 0.000 2.359 175 N HA 0.076 4.817 4.740 0.002 0.000 0.261 175 N C 1.161 176.618 175.510 -0.088 0.000 1.267 175 N CA 1.520 54.491 53.050 -0.132 0.000 0.864 175 N CB 0.213 38.639 38.487 -0.101 0.000 1.063 175 N HN 0.356 nan 8.380 nan 0.000 0.474 176 G N 0.768 109.520 108.800 -0.078 0.000 2.195 176 G HA2 -0.272 3.689 3.960 0.002 0.000 0.246 176 G HA3 -0.272 3.689 3.960 0.002 0.000 0.246 176 G C -0.097 174.769 174.900 -0.056 0.000 0.984 176 G CA -0.230 44.834 45.100 -0.060 0.000 0.633 176 G HN 0.582 nan 8.290 nan 0.000 0.525 177 Q N 0.604 120.364 119.800 -0.066 0.000 2.222 177 Q HA 0.594 4.935 4.340 0.002 0.000 0.252 177 Q C -0.531 175.448 176.000 -0.034 0.000 0.926 177 Q CA -0.189 55.583 55.803 -0.052 0.000 0.899 177 Q CB 1.499 30.197 28.738 -0.066 0.000 1.250 177 Q HN 0.160 nan 8.270 nan 0.000 0.441 178 T N 1.649 116.195 114.554 -0.013 0.000 2.767 178 T HA 0.436 4.787 4.350 0.002 0.000 0.288 178 T C -0.731 173.991 174.700 0.037 0.000 0.963 178 T CA -0.421 61.688 62.100 0.014 0.000 1.019 178 T CB 0.740 69.610 68.868 0.003 0.000 0.923 178 T HN 0.227 nan 8.240 nan 0.000 0.468 179 V N 4.295 124.264 119.914 0.092 0.000 2.525 179 V HA 0.370 4.492 4.120 0.002 0.000 0.299 179 V C -0.571 175.655 176.094 0.220 0.000 1.034 179 V CA -0.932 61.434 62.300 0.109 0.000 0.863 179 V CB 2.007 33.843 31.823 0.021 0.000 0.999 179 V HN 0.771 nan 8.190 nan 0.000 0.423 180 E N 2.645 122.956 120.200 0.185 0.000 2.113 180 E HA 0.289 4.640 4.350 0.002 0.000 0.273 180 E C 0.113 176.892 176.600 0.300 0.000 0.924 180 E CA -0.426 56.108 56.400 0.222 0.000 0.764 180 E CB 1.711 31.493 29.700 0.137 0.000 1.104 180 E HN 0.767 nan 8.360 nan 0.000 0.406 181 T N 1.105 115.889 114.554 0.383 0.000 2.987 181 T HA 0.257 4.608 4.350 0.002 0.000 0.288 181 T C -0.201 174.815 174.700 0.526 0.000 0.981 181 T CA -0.713 61.628 62.100 0.402 0.000 1.031 181 T CB -0.120 69.012 68.868 0.440 0.000 0.976 181 T HN 0.456 nan 8.240 nan 0.000 0.612 182 W N 4.423 125.856 121.300 0.221 0.000 3.097 182 W HA 0.240 4.901 4.660 0.002 0.000 0.325 182 W C -1.421 175.279 176.519 0.301 0.000 1.056 182 W CA -0.930 56.570 57.345 0.259 0.000 1.254 182 W CB 1.219 30.765 29.460 0.144 0.000 1.202 182 W HN 0.425 nan 8.180 nan 0.000 0.400 183 N N 5.287 124.094 118.700 0.178 0.000 2.412 183 N HA 0.137 4.878 4.740 0.002 0.000 0.258 183 N C -0.093 175.534 175.510 0.195 0.000 1.236 183 N CA 0.701 53.839 53.050 0.146 0.000 0.882 183 N CB 0.671 39.180 38.487 0.037 0.000 1.066 183 N HN 0.393 nan 8.380 nan 0.000 0.465 184 R N 0.224 120.851 120.500 0.211 0.000 2.781 184 R HA 0.250 4.592 4.340 0.002 0.000 0.269 184 R C -1.327 175.066 176.300 0.155 0.000 1.025 184 R CA -0.782 55.455 56.100 0.227 0.000 0.914 184 R CB 1.370 31.816 30.300 0.244 0.000 1.236 184 R HN 0.387 nan 8.270 nan 0.000 0.465 185 D N 0.303 120.817 120.400 0.190 0.000 2.485 185 D HA 0.283 4.924 4.640 0.002 0.000 0.256 185 D C -0.111 176.220 176.300 0.051 0.000 1.141 185 D CA -0.138 53.966 54.000 0.173 0.000 0.942 185 D CB 0.765 41.767 40.800 0.335 0.000 1.003 185 D HN 0.719 nan 8.370 nan 0.000 0.507 186 G N 1.416 110.120 108.800 -0.161 0.000 3.863 186 G HA2 0.525 4.486 3.960 0.002 0.000 0.290 186 G HA3 0.525 4.486 3.960 0.002 0.000 0.290 186 G C 0.784 175.598 174.900 -0.144 0.000 1.018 186 G CA 0.081 45.135 45.100 -0.077 0.000 0.824 186 G HN 0.797 nan 8.290 nan 0.000 0.507 187 G N 0.229 108.894 108.800 -0.226 0.000 2.642 187 G HA2 0.001 3.962 3.960 0.002 0.000 0.231 187 G HA3 0.001 3.962 3.960 0.002 0.000 0.231 187 G C 0.700 175.369 174.900 -0.385 0.000 1.338 187 G CA 0.683 45.687 45.100 -0.161 0.000 0.883 187 G HN 1.281 nan 8.290 nan 0.000 0.570 188 T N -3.507 110.777 114.554 -0.450 0.000 3.182 188 T HA 0.569 4.920 4.350 0.002 0.000 0.277 188 T C 1.165 175.414 174.700 -0.751 0.000 1.013 188 T CA 1.090 62.460 62.100 -1.217 0.000 0.900 188 T CB 0.002 68.164 68.868 -1.175 0.000 1.098 188 T HN 1.932 nan 8.240 nan 0.000 0.543 189 S N 0.248 115.814 115.700 -0.225 0.000 2.855 189 S HA 0.388 4.860 4.470 0.002 0.000 0.249 189 S C 0.516 175.152 174.600 0.061 0.000 1.033 189 S CA -0.037 58.163 58.200 -0.001 0.000 1.038 189 S CB 0.060 63.338 63.200 0.131 0.000 0.960 189 S HN 0.707 nan 8.310 nan 0.000 0.548 190 T N -1.200 113.389 114.554 0.060 0.000 2.693 190 T HA 0.497 4.848 4.350 0.002 0.000 0.278 190 T C 0.656 175.429 174.700 0.122 0.000 0.994 190 T CA -0.196 61.954 62.100 0.084 0.000 1.033 190 T CB 1.337 70.243 68.868 0.064 0.000 1.342 190 T HN 0.035 nan 8.240 nan 0.000 0.538 191 E N 0.050 120.306 120.200 0.094 0.000 2.427 191 E HA 0.001 4.353 4.350 0.002 0.000 0.196 191 E C 0.226 176.885 176.600 0.098 0.000 1.028 191 E CA 0.293 56.746 56.400 0.088 0.000 0.864 191 E CB -0.186 29.551 29.700 0.061 0.000 0.813 191 E HN 0.731 nan 8.360 nan 0.000 0.514 192 Q N 0.478 120.337 119.800 0.098 0.000 2.354 192 Q HA 0.533 4.874 4.340 0.002 0.000 0.244 192 Q C -0.599 175.454 176.000 0.088 0.000 0.969 192 Q CA -0.039 55.818 55.803 0.090 0.000 0.885 192 Q CB 1.402 30.179 28.738 0.064 0.000 1.241 192 Q HN 0.258 nan 8.270 nan 0.000 0.461 193 A N 1.074 123.936 122.820 0.070 0.000 2.449 193 A HA 0.443 4.764 4.320 0.002 0.000 0.302 193 A C -0.975 176.648 177.584 0.066 0.000 1.048 193 A CA -0.670 51.407 52.037 0.066 0.000 0.708 193 A CB 0.545 19.571 19.000 0.043 0.000 1.274 193 A HN 0.826 nan 8.150 nan 0.000 0.410 194 Y N 0.923 121.321 120.300 0.163 0.000 2.337 194 Y HA 0.058 4.609 4.550 0.002 0.000 0.293 194 Y C 0.775 176.725 175.900 0.083 0.000 1.123 194 Y CA 1.141 59.312 58.100 0.118 0.000 1.201 194 Y CB 0.202 38.717 38.460 0.092 0.000 1.011 194 Y HN 0.481 nan 8.280 nan 0.000 0.545 195 K N 1.874 122.397 120.400 0.206 0.000 2.414 195 K HA 0.222 4.544 4.320 0.002 0.000 0.251 195 K C -1.023 175.584 176.600 0.010 0.000 1.037 195 K CA -0.288 56.031 56.287 0.052 0.000 0.980 195 K CB 0.528 32.949 32.500 -0.133 0.000 1.280 195 K HN 0.111 nan 8.250 nan 0.000 0.451 196 N N 3.660 122.415 118.700 0.092 0.000 2.443 196 N HA 0.438 5.179 4.740 0.002 0.000 0.295 196 N C -0.723 174.874 175.510 0.144 0.000 1.076 196 N CA -0.438 52.682 53.050 0.117 0.000 0.919 196 N CB 1.695 40.305 38.487 0.204 0.000 1.176 196 N HN 0.300 nan 8.380 nan 0.000 0.487 197 I N 2.668 123.314 120.570 0.127 0.000 2.534 197 I HA 0.217 4.388 4.170 0.002 0.000 0.286 197 I C -2.308 173.911 176.117 0.170 0.000 1.094 197 I CA -1.867 59.529 61.300 0.160 0.000 1.055 197 I CB 2.175 40.268 38.000 0.156 0.000 1.225 197 I HN 0.213 nan 8.210 nan 0.000 0.435 198 P HA 0.136 nan 4.420 nan 0.000 0.228 198 P C -0.630 176.846 177.300 0.294 0.000 1.748 198 P CA 0.202 63.531 63.100 0.381 0.000 0.909 198 P CB -0.511 31.538 31.700 0.581 0.000 1.882 199 F N 2.991 122.901 119.950 -0.066 0.000 2.529 199 F HA 0.542 5.070 4.527 0.002 0.000 0.320 199 F C -1.094 174.574 175.800 -0.220 0.000 1.118 199 F CA -1.196 56.685 58.000 -0.198 0.000 0.915 199 F CB 1.500 40.248 39.000 -0.420 0.000 1.161 199 F HN -0.005 nan 8.300 nan 0.000 0.445 203 N N 0.045 118.787 118.700 0.071 0.000 2.421 203 N HA 0.053 4.794 4.740 0.002 0.000 0.201 203 N C 0.650 176.173 175.510 0.022 0.000 1.198 203 N CA -0.364 52.706 53.050 0.033 0.000 0.838 203 N CB -0.202 38.333 38.487 0.079 0.000 1.011 203 N HN 0.431 nan 8.380 nan 0.000 0.463 204 R N -0.188 120.326 120.500 0.024 0.000 2.468 204 R HA 0.235 4.576 4.340 0.002 0.000 0.280 204 R C 0.626 177.020 176.300 0.157 0.000 0.963 204 R CA 0.309 56.479 56.100 0.116 0.000 1.083 204 R CB -0.284 30.158 30.300 0.237 0.000 1.200 204 R HN 0.402 nan 8.270 nan 0.000 0.541 205 G N 1.486 110.319 108.800 0.055 0.000 2.149 205 G HA2 -0.304 3.657 3.960 0.002 0.000 0.235 205 G HA3 -0.304 3.657 3.960 0.002 0.000 0.235 205 G C -0.337 174.657 174.900 0.158 0.000 1.018 205 G CA 0.681 45.829 45.100 0.079 0.000 0.728 205 G HN 0.452 nan 8.290 nan 0.000 0.508 206 Y N -2.435 117.861 120.300 -0.006 0.000 2.655 206 Y HA 0.813 5.365 4.550 0.002 0.000 0.336 206 Y C 0.247 176.097 175.900 -0.082 0.000 1.154 206 Y CA -1.336 56.750 58.100 -0.023 0.000 1.055 206 Y CB 0.783 39.230 38.460 -0.023 0.000 1.295 206 Y HN 0.767 nan 8.280 nan 0.000 0.465 207 G N 0.031 108.804 108.800 -0.045 0.000 2.680 207 G HA2 0.665 4.626 3.960 0.002 0.000 0.290 207 G HA3 0.665 4.626 3.960 0.002 0.000 0.290 207 G C -2.245 172.496 174.900 -0.265 0.000 1.355 207 G CA -1.283 43.614 45.100 -0.337 0.000 0.903 207 G HN 0.792 nan 8.290 nan 0.000 0.474 208 V N 0.447 119.930 119.914 -0.717 0.000 2.668 208 V HA 0.491 4.612 4.120 0.002 0.000 0.304 208 V C -1.175 174.796 176.094 -0.205 0.000 1.071 208 V CA -0.639 61.395 62.300 -0.444 0.000 0.894 208 V CB 1.664 33.009 31.823 -0.796 0.000 1.008 208 V HN 0.746 nan 8.190 nan 0.000 0.425 209 L N 6.253 127.634 121.223 0.262 0.000 2.298 209 L HA 0.693 5.034 4.340 0.002 0.000 0.284 209 L C -0.503 176.595 176.870 0.381 0.000 1.013 209 L CA -0.075 55.032 54.840 0.444 0.000 0.824 209 L CB 1.750 44.191 42.059 0.637 0.000 1.221 209 L HN 0.455 nan 8.230 nan 0.000 0.418 210 V N 5.021 125.100 119.914 0.277 0.000 2.353 210 V HA 0.220 4.341 4.120 0.002 0.000 0.264 210 V C 0.600 176.930 176.094 0.393 0.000 1.049 210 V CA -0.505 61.932 62.300 0.228 0.000 0.896 210 V CB 0.675 32.492 31.823 -0.010 0.000 1.025 210 V HN 0.787 nan 8.190 nan 0.000 0.475 211 N N 4.721 123.612 118.700 0.318 0.000 3.193 211 N HA 0.020 4.761 4.740 0.002 0.000 0.312 211 N C -0.364 174.927 175.510 -0.364 0.000 1.261 211 N CA 0.236 53.403 53.050 0.194 0.000 1.208 211 N CB -0.486 38.194 38.487 0.321 0.000 1.471 211 N HN 0.691 nan 8.380 nan 0.000 0.548 212 H N 0.190 119.359 119.070 0.166 0.000 3.018 212 H HA 0.217 4.774 4.556 0.002 0.000 0.334 212 H C -2.002 173.259 175.328 -0.112 0.000 0.983 212 H CA -1.347 54.692 56.048 -0.015 0.000 1.363 212 H CB 2.159 31.959 29.762 0.062 0.000 1.668 212 H HN 0.213 nan 8.280 nan 0.000 0.513 213 P HA -0.118 nan 4.420 nan 0.000 0.222 213 P C 0.935 178.350 177.300 0.191 0.000 1.153 213 P CA 0.808 63.795 63.100 -0.189 0.000 0.798 213 P CB 0.537 32.021 31.700 -0.361 0.000 0.796 214 Q N -0.129 119.798 119.800 0.211 0.000 2.526 214 Q HA 0.022 4.363 4.340 0.002 0.000 0.207 214 Q C 0.134 176.374 176.000 0.399 0.000 1.078 214 Q CA -0.362 55.643 55.803 0.336 0.000 1.041 214 Q CB -0.592 28.285 28.738 0.231 0.000 1.228 214 Q HN -0.016 nan 8.270 nan 0.000 0.603 215 C N 1.175 120.733 119.300 0.430 0.000 2.590 215 C HA 0.284 4.745 4.460 0.002 0.000 0.411 215 C C -0.016 175.099 174.990 0.209 0.000 1.420 215 C CA -0.244 58.975 59.018 0.336 0.000 1.643 215 C CB -1.119 26.621 27.740 0.001 0.000 2.528 215 C HN 0.463 nan 8.230 nan 0.000 0.606 216 V N 6.984 127.050 119.914 0.253 0.000 2.448 216 V HA 0.407 4.529 4.120 0.002 0.000 0.295 216 V C 0.217 176.374 176.094 0.105 0.000 1.025 216 V CA -0.123 62.255 62.300 0.132 0.000 0.859 216 V CB 1.874 33.793 31.823 0.159 0.000 0.988 216 V HN 0.929 nan 8.190 nan 0.000 0.431 217 S N 4.990 120.674 115.700 -0.026 0.000 2.422 217 S HA 0.675 5.146 4.470 0.002 0.000 0.298 217 S C -0.899 173.662 174.600 -0.065 0.000 1.118 217 S CA -0.360 57.844 58.200 0.007 0.000 1.083 217 S CB -0.059 63.111 63.200 -0.050 0.000 0.971 217 S HN 0.392 nan 8.310 nan 0.000 0.478 218 F N 2.961 122.955 119.950 0.074 0.000 2.436 218 F HA 0.445 4.973 4.527 0.002 0.000 0.340 218 F C 0.712 176.507 175.800 -0.008 0.000 1.113 218 F CA -0.678 57.361 58.000 0.065 0.000 1.022 218 F CB 1.457 40.482 39.000 0.042 0.000 1.128 218 F HN 0.386 nan 8.300 nan 0.000 0.466 219 E N 3.419 123.703 120.200 0.140 0.000 2.256 219 E HA 0.217 4.569 4.350 0.002 0.000 0.243 219 E C -0.879 175.731 176.600 0.017 0.000 0.925 219 E CA -0.333 56.087 56.400 0.033 0.000 0.748 219 E CB 1.622 31.302 29.700 -0.033 0.000 1.206 219 E HN 0.252 nan 8.360 nan 0.000 0.428 220 V N 1.704 121.612 119.914 -0.011 0.000 2.287 220 V HA 0.197 4.318 4.120 0.002 0.000 0.246 220 V C 1.411 177.448 176.094 -0.094 0.000 1.165 220 V CA 0.440 62.684 62.300 -0.093 0.000 1.088 220 V CB -0.120 31.601 31.823 -0.171 0.000 1.242 220 V HN 0.890 nan 8.190 nan 0.000 0.497 221 G N 4.395 113.149 108.800 -0.078 0.000 2.225 221 G HA2 -0.294 3.667 3.960 0.002 0.000 0.267 221 G HA3 -0.294 3.667 3.960 0.002 0.000 0.267 221 G C 0.795 175.657 174.900 -0.063 0.000 1.024 221 G CA 0.686 45.744 45.100 -0.069 0.000 0.784 221 G HN 1.038 nan 8.290 nan 0.000 0.507 222 S N -2.016 113.648 115.700 -0.060 0.000 2.523 222 S HA 0.414 4.886 4.470 0.002 0.000 0.217 222 S C 1.234 175.794 174.600 -0.066 0.000 0.996 222 S CA 0.844 59.009 58.200 -0.057 0.000 0.921 222 S CB 0.734 63.906 63.200 -0.048 0.000 0.829 222 S HN 0.672 nan 8.310 nan 0.000 0.495 223 E N 0.973 121.128 120.200 -0.075 0.000 2.756 223 E HA 0.227 4.578 4.350 0.002 0.000 0.192 223 E C -0.540 176.001 176.600 -0.097 0.000 1.022 223 E CA -0.093 56.251 56.400 -0.094 0.000 1.224 223 E CB 0.517 30.149 29.700 -0.114 0.000 1.252 223 E HN 0.013 nan 8.360 nan 0.000 0.494 224 K N 2.100 122.446 120.400 -0.089 0.000 2.292 224 K HA 0.220 4.541 4.320 0.002 0.000 0.270 224 K C 0.765 177.325 176.600 -0.066 0.000 1.062 224 K CA -0.141 56.096 56.287 -0.084 0.000 0.916 224 K CB 1.673 34.129 32.500 -0.074 0.000 1.166 224 K HN 0.071 nan 8.250 nan 0.000 0.458 225 V N 1.536 121.410 119.914 -0.066 0.000 2.428 225 V HA -0.235 3.886 4.120 0.002 0.000 0.255 225 V C 1.052 177.121 176.094 -0.043 0.000 1.080 225 V CA 1.933 64.200 62.300 -0.054 0.000 1.083 225 V CB -0.150 31.641 31.823 -0.052 0.000 0.665 225 V HN 0.615 nan 8.190 nan 0.000 0.461 226 S N -0.522 115.157 115.700 -0.035 0.000 2.581 226 S HA 0.369 4.840 4.470 0.002 0.000 0.245 226 S C -0.080 174.516 174.600 -0.005 0.000 1.115 226 S CA -0.371 57.819 58.200 -0.018 0.000 1.093 226 S CB -0.091 63.104 63.200 -0.008 0.000 0.853 226 S HN 0.578 nan 8.310 nan 0.000 0.479 227 K N 0.277 120.667 120.400 -0.018 0.000 2.536 227 K HA 0.527 4.848 4.320 0.002 0.000 0.269 227 K C -1.466 175.120 176.600 -0.023 0.000 0.965 227 K CA -0.835 55.451 56.287 -0.001 0.000 0.860 227 K CB 2.034 34.532 32.500 -0.003 0.000 1.423 227 K HN -0.108 nan 8.250 nan 0.000 0.438 228 V N 2.228 122.142 119.914 -0.000 0.000 2.311 228 V HA 0.209 4.330 4.120 0.002 0.000 0.275 228 V C -0.318 175.812 176.094 0.060 0.000 1.022 228 V CA -0.563 61.728 62.300 -0.015 0.000 0.830 228 V CB 1.062 32.790 31.823 -0.157 0.000 1.012 228 V HN 0.646 nan 8.190 nan 0.000 0.452 229 Q N 5.307 125.122 119.800 0.024 0.000 2.241 229 Q HA 0.663 5.004 4.340 0.002 0.000 0.254 229 Q C -1.498 174.490 176.000 -0.019 0.000 0.917 229 Q CA -0.570 55.188 55.803 -0.075 0.000 0.919 229 Q CB 1.523 30.216 28.738 -0.076 0.000 1.237 229 Q HN 0.711 nan 8.270 nan 0.000 0.434 230 F N 0.538 120.410 119.950 -0.130 0.000 2.569 230 F HA 0.715 5.243 4.527 0.002 0.000 0.312 230 F C -1.033 174.645 175.800 -0.203 0.000 1.109 230 F CA -0.891 56.871 58.000 -0.397 0.000 0.919 230 F CB 1.546 40.056 39.000 -0.816 0.000 1.211 230 F HN 0.440 nan 8.300 nan 0.000 0.446 231 S N 2.180 117.850 115.700 -0.049 0.000 2.595 231 S HA 0.912 5.383 4.470 0.002 0.000 0.281 231 S C -1.671 172.938 174.600 0.015 0.000 1.117 231 S CA -0.852 57.357 58.200 0.014 0.000 0.873 231 S CB 1.883 65.062 63.200 -0.035 0.000 1.108 231 S HN 1.336 nan 8.310 nan 0.000 0.477 232 V N 0.508 120.452 119.914 0.050 0.000 3.087 232 V HA 0.536 4.657 4.120 0.002 0.000 0.306 232 V C -1.229 174.890 176.094 0.041 0.000 1.187 232 V CA -0.761 61.542 62.300 0.004 0.000 0.999 232 V CB 2.038 33.713 31.823 -0.247 0.000 1.049 232 V HN 1.131 nan 8.190 nan 0.000 0.431 233 E N 3.325 123.511 120.200 -0.022 0.000 2.003 233 E HA 0.559 4.910 4.350 0.002 0.000 0.279 233 E C -0.603 175.858 176.600 -0.231 0.000 1.132 233 E CA 0.272 56.482 56.400 -0.317 0.000 0.888 233 E CB 0.487 29.970 29.700 -0.363 0.000 1.056 233 E HN 0.777 nan 8.360 nan 0.000 0.399 234 S N 3.158 118.731 115.700 -0.212 0.000 2.595 234 S HA 0.117 4.588 4.470 0.002 0.000 0.270 234 S C -0.233 174.365 174.600 -0.003 0.000 1.145 234 S CA -0.711 57.396 58.200 -0.155 0.000 0.825 234 S CB 1.338 64.303 63.200 -0.392 0.000 1.107 234 S HN 0.496 nan 8.310 nan 0.000 0.461 235 E N 0.828 121.107 120.200 0.131 0.000 2.489 235 E HA 0.209 4.560 4.350 0.002 0.000 0.193 235 E C -0.585 176.220 176.600 0.342 0.000 1.057 235 E CA 0.440 57.016 56.400 0.294 0.000 0.866 235 E CB 0.028 29.929 29.700 0.335 0.000 0.916 235 E HN 0.569 nan 8.360 nan 0.000 0.500 236 Y N -2.103 118.312 120.300 0.191 0.000 2.581 236 Y HA 0.577 5.128 4.550 0.002 0.000 0.337 236 Y C -1.583 174.446 175.900 0.215 0.000 1.108 236 Y CA -1.718 56.499 58.100 0.195 0.000 1.033 236 Y CB 0.785 39.345 38.460 0.166 0.000 1.318 236 Y HN -0.207 nan 8.280 nan 0.000 0.459 237 L N 2.688 124.073 121.223 0.271 0.000 2.362 237 L HA 0.669 5.010 4.340 0.002 0.000 0.275 237 L C -1.170 175.998 176.870 0.496 0.000 0.998 237 L CA -0.520 54.506 54.840 0.310 0.000 0.820 237 L CB 1.952 44.169 42.059 0.263 0.000 1.270 237 L HN 0.901 nan 8.230 nan 0.000 0.415 238 E N 3.896 124.493 120.200 0.662 0.000 2.246 238 E HA 0.522 4.874 4.350 0.002 0.000 0.266 238 E C -2.028 174.701 176.600 0.216 0.000 0.880 238 E CA -0.617 55.937 56.400 0.258 0.000 0.762 238 E CB 1.523 31.341 29.700 0.197 0.000 1.180 238 E HN 0.581 nan 8.360 nan 0.000 0.416 239 Y N 1.325 121.570 120.300 -0.092 0.000 2.571 239 Y HA 0.670 5.221 4.550 0.002 0.000 0.341 239 Y C -1.813 173.889 175.900 -0.330 0.000 1.076 239 Y CA -1.433 56.624 58.100 -0.072 0.000 1.029 239 Y CB 0.968 39.473 38.460 0.075 0.000 1.308 239 Y HN 0.232 nan 8.280 nan 0.000 0.461 240 F N 1.576 121.656 119.950 0.217 0.000 2.467 240 F HA 0.617 5.145 4.527 0.002 0.000 0.336 240 F C -0.560 175.283 175.800 0.072 0.000 1.123 240 F CA -1.305 56.730 58.000 0.059 0.000 0.964 240 F CB 2.124 41.193 39.000 0.115 0.000 1.136 240 F HN 0.360 nan 8.300 nan 0.000 0.447 241 V N 5.379 125.349 119.914 0.093 0.000 2.406 241 V HA 0.275 4.396 4.120 0.002 0.000 0.272 241 V C 0.026 176.165 176.094 0.075 0.000 1.043 241 V CA -0.488 61.802 62.300 -0.018 0.000 0.915 241 V CB 0.789 32.389 31.823 -0.373 0.000 0.988 241 V HN 0.395 nan 8.190 nan 0.000 0.466 242 I N 4.128 124.782 120.570 0.140 0.000 2.307 242 I HA 0.366 4.537 4.170 0.002 0.000 0.289 242 I C 0.201 176.403 176.117 0.142 0.000 1.021 242 I CA -0.306 61.079 61.300 0.142 0.000 1.224 242 I CB 1.079 39.221 38.000 0.236 0.000 1.376 242 I HN 0.566 nan 8.210 nan 0.000 0.470 243 D N 4.462 124.920 120.400 0.096 0.000 2.433 243 D HA 0.687 5.329 4.640 0.002 0.000 0.255 243 D C 0.191 176.540 176.300 0.081 0.000 1.226 243 D CA 0.100 54.161 54.000 0.102 0.000 1.015 243 D CB 1.481 42.319 40.800 0.063 0.000 1.091 243 D HN 0.781 nan 8.370 nan 0.000 0.527 244 G N 0.712 109.555 108.800 0.072 0.000 2.040 244 G HA2 0.097 4.058 3.960 0.002 0.000 0.195 244 G HA3 0.097 4.058 3.960 0.002 0.000 0.195 244 G C -2.153 172.774 174.900 0.045 0.000 2.245 244 G CA -0.557 44.569 45.100 0.043 0.000 0.911 244 G HN 0.310 nan 8.290 nan 0.000 0.566 245 P HA -0.183 nan 4.420 nan 0.000 0.222 245 P C 1.183 178.500 177.300 0.028 0.000 1.154 245 P CA 2.121 65.242 63.100 0.035 0.000 0.874 245 P CB 0.379 32.090 31.700 0.018 0.000 0.787 246 T N -3.783 110.776 114.554 0.010 0.000 2.924 246 T HA 0.393 4.744 4.350 0.002 0.000 0.291 246 T C -2.118 172.568 174.700 -0.023 0.000 1.045 246 T CA -2.653 59.440 62.100 -0.011 0.000 1.015 246 T CB 1.077 69.928 68.868 -0.028 0.000 1.103 246 T HN -0.291 nan 8.240 nan 0.000 0.496 247 P HA -0.039 nan 4.420 nan 0.000 0.216 247 P C 1.287 178.553 177.300 -0.057 0.000 1.153 247 P CA 1.281 64.338 63.100 -0.072 0.000 0.858 247 P CB 0.189 31.811 31.700 -0.130 0.000 0.789 248 K N -0.796 119.564 120.400 -0.067 0.000 2.097 248 K HA -0.087 4.234 4.320 0.002 0.000 0.206 248 K C 2.057 178.632 176.600 -0.042 0.000 1.049 248 K CA 1.406 57.654 56.287 -0.064 0.000 0.933 248 K CB -0.525 31.928 32.500 -0.079 0.000 0.717 248 K HN 0.025 nan 8.250 nan 0.000 0.442 249 A N 0.640 123.442 122.820 -0.030 0.000 1.930 249 A HA -0.098 4.223 4.320 0.002 0.000 0.217 249 A C 2.238 179.825 177.584 0.005 0.000 1.175 249 A CA 1.173 53.200 52.037 -0.016 0.000 0.627 249 A CB -0.453 18.541 19.000 -0.010 0.000 0.815 249 A HN 0.078 nan 8.150 nan 0.000 0.443 250 V N 0.171 120.099 119.914 0.023 0.000 2.295 250 V HA -0.267 3.854 4.120 0.002 0.000 0.246 250 V C 2.544 178.689 176.094 0.085 0.000 1.049 250 V CA 1.999 64.341 62.300 0.071 0.000 1.024 250 V CB -0.764 31.110 31.823 0.085 0.000 0.648 250 V HN 0.579 nan 8.190 nan 0.000 0.447 251 L N 0.034 121.284 121.223 0.044 0.000 2.131 251 L HA -0.188 4.153 4.340 0.002 0.000 0.210 251 L C 2.419 179.285 176.870 -0.007 0.000 1.092 251 L CA 1.730 56.584 54.840 0.023 0.000 0.759 251 L CB -0.639 41.406 42.059 -0.023 0.000 0.903 251 L HN 0.419 nan 8.230 nan 0.000 0.435 252 D N 0.444 120.829 120.400 -0.024 0.000 2.092 252 D HA -0.194 4.448 4.640 0.002 0.000 0.193 252 D C 2.309 178.580 176.300 -0.047 0.000 0.994 252 D CA 1.518 55.489 54.000 -0.047 0.000 0.828 252 D CB 0.092 40.867 40.800 -0.042 0.000 0.963 252 D HN 0.118 nan 8.370 nan 0.000 0.450 253 R N -1.126 119.363 120.500 -0.018 0.000 2.075 253 R HA -0.151 4.190 4.340 0.002 0.000 0.232 253 R C 2.462 178.749 176.300 -0.021 0.000 1.126 253 R CA 1.158 57.243 56.100 -0.025 0.000 0.963 253 R CB -0.633 29.661 30.300 -0.010 0.000 0.858 253 R HN 0.376 nan 8.270 nan 0.000 0.435 254 Y N 1.901 122.130 120.300 -0.118 0.000 2.224 254 Y HA -0.229 4.322 4.550 0.002 0.000 0.289 254 Y C 2.431 178.185 175.900 -0.242 0.000 1.146 254 Y CA 1.953 59.928 58.100 -0.207 0.000 1.182 254 Y CB -0.093 38.062 38.460 -0.509 0.000 0.983 254 Y HN 0.093 nan 8.280 nan 0.000 0.524 255 T N -1.954 112.386 114.554 -0.358 0.000 3.043 255 T HA -0.046 4.305 4.350 0.002 0.000 0.263 255 T C 1.895 176.402 174.700 -0.321 0.000 1.094 255 T CA 0.824 62.666 62.100 -0.431 0.000 1.127 255 T CB -0.295 68.404 68.868 -0.281 0.000 0.905 255 T HN 0.403 nan 8.240 nan 0.000 0.490 256 R N -0.153 120.226 120.500 -0.201 0.000 2.093 256 R HA 0.133 4.474 4.340 0.002 0.000 0.224 256 R C 2.139 178.380 176.300 -0.098 0.000 1.101 256 R CA 0.773 56.794 56.100 -0.131 0.000 0.979 256 R CB -0.423 29.828 30.300 -0.082 0.000 0.877 256 R HN 0.509 nan 8.270 nan 0.000 0.441 257 F N 0.792 120.542 119.950 -0.334 0.000 2.146 257 F HA -0.161 4.367 4.527 0.002 0.000 0.298 257 F C 1.927 177.472 175.800 -0.425 0.000 1.096 257 F CA 1.588 59.371 58.000 -0.361 0.000 1.275 257 F CB 0.186 38.946 39.000 -0.400 0.000 1.008 257 F HN 0.186 nan 8.300 nan 0.000 0.480 258 T N -2.685 111.480 114.554 -0.649 0.000 3.010 258 T HA 0.482 4.833 4.350 0.002 0.000 0.257 258 T C 0.479 174.832 174.700 -0.578 0.000 1.020 258 T CA 0.312 61.947 62.100 -0.776 0.000 0.938 258 T CB 0.677 68.921 68.868 -1.040 0.000 1.049 258 T HN 0.416 nan 8.240 nan 0.000 0.522 259 G N 1.339 109.841 108.800 -0.496 0.000 2.380 259 G HA2 0.264 4.226 3.960 0.002 0.000 0.250 259 G HA3 0.264 4.226 3.960 0.002 0.000 0.250 259 G C -1.327 173.329 174.900 -0.408 0.000 1.578 259 G CA -1.231 43.614 45.100 -0.425 0.000 0.974 259 G HN 0.271 nan 8.290 nan 0.000 0.680 260 R N 1.822 122.139 120.500 -0.305 0.000 2.357 260 R HA 0.440 4.781 4.340 0.002 0.000 0.296 260 R C -2.424 173.724 176.300 -0.253 0.000 1.052 260 R CA -1.762 54.192 56.100 -0.243 0.000 0.988 260 R CB 0.993 31.200 30.300 -0.156 0.000 1.025 260 R HN 0.295 nan 8.270 nan 0.000 0.469 261 P HA 0.037 nan 4.420 nan 0.000 0.268 261 P C -0.618 176.669 177.300 -0.021 0.000 1.205 261 P CA 0.166 63.192 63.100 -0.124 0.000 0.771 261 P CB 0.722 32.420 31.700 -0.002 0.000 0.858 262 A N 3.686 126.468 122.820 -0.063 0.000 2.287 262 A HA 0.364 4.685 4.320 0.002 0.000 0.273 262 A C -0.274 177.355 177.584 0.075 0.000 1.091 262 A CA -0.561 51.486 52.037 0.017 0.000 0.817 262 A CB 0.068 19.089 19.000 0.036 0.000 1.069 262 A HN 0.605 nan 8.150 nan 0.000 0.492 263 L N 2.003 123.276 121.223 0.083 0.000 2.260 263 L HA 0.338 4.679 4.340 0.002 0.000 0.289 263 L C -2.170 174.704 176.870 0.008 0.000 1.057 263 L CA -1.965 52.885 54.840 0.016 0.000 0.811 263 L CB 1.398 43.486 42.059 0.049 0.000 1.184 263 L HN 0.459 nan 8.230 nan 0.000 0.429 264 P HA 0.220 nan 4.420 nan 0.000 0.272 264 P C -2.554 174.863 177.300 0.196 0.000 1.223 264 P CA -1.236 61.848 63.100 -0.027 0.000 0.784 264 P CB 0.058 31.628 31.700 -0.217 0.000 0.923 265 P HA -0.008 nan 4.420 nan 0.000 0.268 265 P C 0.561 177.848 177.300 -0.022 0.000 1.204 265 P CA 0.326 63.337 63.100 -0.148 0.000 0.768 265 P CB 0.311 31.607 31.700 -0.672 0.000 0.842 266 A N 5.209 128.063 122.820 0.057 0.000 1.997 266 A HA -0.186 4.135 4.320 0.002 0.000 0.221 266 A C 1.772 179.462 177.584 0.176 0.000 1.172 266 A CA 1.728 53.744 52.037 -0.035 0.000 0.645 266 A CB -1.559 17.231 19.000 -0.351 0.000 0.813 266 A HN 0.838 nan 8.150 nan 0.000 0.454 267 W N 0.389 121.789 121.300 0.166 0.000 2.519 267 W HA -0.064 4.598 4.660 0.002 0.000 0.266 267 W C 1.757 178.396 176.519 0.200 0.000 1.253 267 W CA 1.129 58.542 57.345 0.113 0.000 1.274 267 W CB -1.352 28.121 29.460 0.021 0.000 1.114 267 W HN 0.521 nan 8.180 nan 0.000 0.596 268 S N 0.524 116.128 115.700 -0.161 0.000 2.481 268 S HA -0.152 4.319 4.470 0.002 0.000 0.231 268 S C 1.303 176.193 174.600 0.483 0.000 0.996 268 S CA 0.545 58.837 58.200 0.153 0.000 0.942 268 S CB -1.290 61.890 63.200 -0.034 0.000 0.768 268 S HN 0.102 nan 8.310 nan 0.000 0.520 269 F N 2.846 122.856 119.950 0.099 0.000 2.802 269 F HA 0.375 4.903 4.527 0.002 0.000 0.300 269 F C 1.850 177.688 175.800 0.063 0.000 1.168 269 F CA -0.552 57.411 58.000 -0.060 0.000 1.433 269 F CB -0.898 38.064 39.000 -0.063 0.000 1.115 269 F HN 0.304 nan 8.300 nan 0.000 0.582 270 G N 0.198 109.151 108.800 0.254 0.000 2.516 270 G HA2 0.247 4.208 3.960 0.002 0.000 0.276 270 G HA3 0.247 4.208 3.960 0.002 0.000 0.276 270 G C -0.660 174.450 174.900 0.351 0.000 1.390 270 G CA -0.544 44.527 45.100 -0.048 0.000 1.050 270 G HN 0.024 nan 8.290 nan 0.000 0.519 271 L N 0.634 122.172 121.223 0.525 0.000 2.268 271 L HA 0.378 4.719 4.340 0.002 0.000 0.289 271 L C -1.091 176.107 176.870 0.547 0.000 1.064 271 L CA -0.681 54.480 54.840 0.534 0.000 0.824 271 L CB 0.092 42.415 42.059 0.441 0.000 1.202 271 L HN 0.468 nan 8.230 nan 0.000 0.433 272 W N 5.830 127.260 121.300 0.217 0.000 2.251 272 W HA 0.445 5.106 4.660 0.002 0.000 0.329 272 W C 0.042 176.638 176.519 0.129 0.000 1.234 272 W CA -0.474 56.961 57.345 0.151 0.000 1.228 272 W CB 0.670 30.183 29.460 0.089 0.000 1.135 272 W HN 0.262 nan 8.180 nan 0.000 0.576 273 L N 2.861 124.267 121.223 0.304 0.000 2.422 273 L HA 0.672 5.013 4.340 0.002 0.000 0.264 273 L C -0.945 175.942 176.870 0.028 0.000 0.984 273 L CA -0.316 54.658 54.840 0.223 0.000 0.819 273 L CB 2.057 44.304 42.059 0.313 0.000 1.330 273 L HN 0.461 nan 8.230 nan 0.000 0.410 274 T N 1.964 116.500 114.554 -0.029 0.000 2.916 274 T HA 0.571 4.922 4.350 0.002 0.000 0.298 274 T C -0.305 174.226 174.700 -0.282 0.000 1.031 274 T CA -0.123 61.862 62.100 -0.192 0.000 0.993 274 T CB 1.017 69.877 68.868 -0.014 0.000 1.045 274 T HN 0.846 nan 8.240 nan 0.000 0.454 275 T N 2.655 116.993 114.554 -0.361 0.000 2.910 275 T HA 0.464 4.816 4.350 0.002 0.000 0.293 275 T C 0.499 175.020 174.700 -0.298 0.000 1.015 275 T CA -0.667 61.161 62.100 -0.453 0.000 1.094 275 T CB 0.573 69.199 68.868 -0.404 0.000 0.968 275 T HN 0.614 nan 8.240 nan 0.000 0.521 276 S N 2.042 117.554 115.700 -0.315 0.000 2.642 276 S HA -0.016 4.455 4.470 0.002 0.000 0.308 276 S C 0.101 174.713 174.600 0.020 0.000 1.255 276 S CA -0.445 57.637 58.200 -0.198 0.000 1.057 276 S CB -0.643 62.492 63.200 -0.108 0.000 0.785 276 S HN 0.629 nan 8.310 nan 0.000 0.500 277 F N 3.297 123.240 119.950 -0.011 0.000 2.579 277 F HA -0.102 4.426 4.527 0.002 0.000 0.397 277 F C 1.482 177.319 175.800 0.061 0.000 1.027 277 F CA 1.111 59.165 58.000 0.090 0.000 1.217 277 F CB -0.055 39.063 39.000 0.197 0.000 0.986 277 F HN 0.849 nan 8.300 nan 0.000 0.551 278 T N 1.054 115.471 114.554 -0.227 0.000 6.514 278 T HA -0.255 4.097 4.350 0.002 0.000 0.281 278 T C 1.042 175.562 174.700 -0.301 0.000 2.169 278 T CA 1.337 63.131 62.100 -0.510 0.000 3.671 278 T CB -1.315 67.205 68.868 -0.581 0.000 0.990 278 T HN 0.851 nan 8.240 nan 0.000 0.826 279 T N -0.056 114.326 114.554 -0.286 0.000 3.160 279 T HA 0.113 4.464 4.350 0.002 0.000 0.257 279 T C 0.594 174.890 174.700 -0.673 0.000 1.147 279 T CA 0.232 61.950 62.100 -0.636 0.000 1.064 279 T CB -0.228 68.364 68.868 -0.460 0.000 0.949 279 T HN 0.365 nan 8.240 nan 0.000 0.526 280 N N 1.883 120.464 118.700 -0.199 0.000 3.050 280 N HA 0.176 4.917 4.740 0.002 0.000 0.289 280 N C 0.212 175.793 175.510 0.119 0.000 1.209 280 N CA -0.059 53.033 53.050 0.071 0.000 1.154 280 N CB -0.162 38.559 38.487 0.391 0.000 1.444 280 N HN 0.601 nan 8.380 nan 0.000 0.529 281 Y N 0.110 120.422 120.300 0.019 0.000 2.263 281 Y HA -0.161 4.390 4.550 0.002 0.000 0.292 281 Y C 0.667 176.515 175.900 -0.088 0.000 1.130 281 Y CA 0.110 58.174 58.100 -0.061 0.000 1.179 281 Y CB 0.395 38.829 38.460 -0.042 0.000 0.998 281 Y HN 0.341 nan 8.280 nan 0.000 0.532 282 D N -2.231 118.287 120.400 0.197 0.000 2.692 282 D HA -0.004 4.637 4.640 0.002 0.000 0.303 282 D C 0.109 176.661 176.300 0.419 0.000 1.278 282 D CA -0.619 53.504 54.000 0.206 0.000 0.852 282 D CB 0.582 41.473 40.800 0.151 0.000 1.375 282 D HN -0.032 nan 8.370 nan 0.000 0.453 283 E N -0.353 120.101 120.200 0.423 0.000 2.150 283 E HA -0.133 4.218 4.350 0.002 0.000 0.193 283 E C 1.819 178.520 176.600 0.169 0.000 0.985 283 E CA 1.184 57.776 56.400 0.320 0.000 0.814 283 E CB -0.162 29.658 29.700 0.199 0.000 0.752 283 E HN 0.478 nan 8.360 nan 0.000 0.466 284 A N 0.337 123.241 122.820 0.140 0.000 1.908 284 A HA -0.179 4.143 4.320 0.002 0.000 0.218 284 A C 2.360 179.991 177.584 0.078 0.000 1.181 284 A CA 2.016 54.104 52.037 0.085 0.000 0.627 284 A CB -0.901 18.146 19.000 0.078 0.000 0.818 284 A HN 0.300 nan 8.150 nan 0.000 0.445 285 T N -0.382 114.237 114.554 0.108 0.000 2.777 285 T HA -0.102 4.249 4.350 0.002 0.000 0.266 285 T C 1.899 176.636 174.700 0.062 0.000 1.040 285 T CA 1.505 63.654 62.100 0.082 0.000 1.141 285 T CB -0.406 68.497 68.868 0.058 0.000 0.868 285 T HN 0.168 nan 8.240 nan 0.000 0.444 286 V N 2.710 122.654 119.914 0.050 0.000 2.287 286 V HA -0.211 3.910 4.120 0.002 0.000 0.248 286 V C 2.457 178.462 176.094 -0.149 0.000 1.053 286 V CA 1.553 63.780 62.300 -0.122 0.000 1.027 286 V CB -0.580 31.127 31.823 -0.193 0.000 0.646 286 V HN 0.509 nan 8.190 nan 0.000 0.447 287 N N -0.077 118.574 118.700 -0.081 0.000 2.166 287 N HA -0.158 4.583 4.740 0.002 0.000 0.186 287 N C 2.137 177.621 175.510 -0.042 0.000 1.019 287 N CA 1.725 54.727 53.050 -0.079 0.000 0.856 287 N CB -0.302 38.157 38.487 -0.047 0.000 0.993 287 N HN 0.477 nan 8.380 nan 0.000 0.426 288 S N -0.094 115.606 115.700 0.000 0.000 2.419 288 S HA -0.088 4.383 4.470 0.002 0.000 0.233 288 S C 1.612 176.217 174.600 0.009 0.000 1.016 288 S CA 0.699 58.904 58.200 0.008 0.000 0.974 288 S CB -0.196 63.026 63.200 0.037 0.000 0.786 288 S HN 0.326 nan 8.310 nan 0.000 0.492 289 F N 0.769 120.661 119.950 -0.098 0.000 2.374 289 F HA 0.307 4.836 4.527 0.002 0.000 0.291 289 F C 1.845 177.580 175.800 -0.108 0.000 1.084 289 F CA 0.413 58.361 58.000 -0.087 0.000 1.413 289 F CB -0.167 38.788 39.000 -0.074 0.000 1.099 289 F HN 0.190 nan 8.300 nan 0.000 0.534 290 I N 0.420 120.999 120.570 0.015 0.000 2.315 290 I HA -0.221 3.950 4.170 0.002 0.000 0.248 290 I C 1.251 177.305 176.117 -0.104 0.000 1.117 290 I CA 1.721 62.980 61.300 -0.068 0.000 1.404 290 I CB -0.734 37.162 38.000 -0.174 0.000 1.071 290 I HN 0.100 nan 8.210 nan 0.000 0.419 291 D N 1.016 121.354 120.400 -0.104 0.000 2.347 291 D HA 0.028 4.670 4.640 0.002 0.000 0.215 291 D C 1.125 177.350 176.300 -0.124 0.000 0.976 291 D CA 0.419 54.360 54.000 -0.099 0.000 0.884 291 D CB 0.082 40.836 40.800 -0.077 0.000 0.915 291 D HN 0.394 nan 8.370 nan 0.000 0.526 295 E N 1.412 121.573 120.200 -0.066 0.000 2.463 295 E HA -0.044 4.307 4.350 0.002 0.000 0.201 295 E C 1.200 177.773 176.600 -0.045 0.000 1.045 295 E CA 1.391 57.760 56.400 -0.052 0.000 0.872 295 E CB -0.416 29.252 29.700 -0.054 0.000 0.797 295 E HN 0.594 nan 8.360 nan 0.000 0.538 296 R N 0.257 120.727 120.500 -0.051 0.000 2.586 296 R HA 0.211 4.552 4.340 0.002 0.000 0.336 296 R C -0.463 175.826 176.300 -0.018 0.000 1.060 296 R CA -0.228 55.851 56.100 -0.034 0.000 1.079 296 R CB -0.163 30.110 30.300 -0.046 0.000 1.317 296 R HN 0.072 nan 8.270 nan 0.000 0.568 297 N N 1.034 119.719 118.700 -0.024 0.000 2.707 297 N HA -0.189 4.552 4.740 0.002 0.000 0.253 297 N C -1.020 174.487 175.510 -0.005 0.000 0.998 297 N CA 0.718 53.758 53.050 -0.016 0.000 0.751 297 N CB -0.648 37.835 38.487 -0.006 0.000 0.920 297 N HN 0.302 nan 8.380 nan 0.000 0.539 298 L N -0.618 120.598 121.223 -0.013 0.000 2.892 298 L HA 0.345 4.686 4.340 0.002 0.000 0.251 298 L C -2.059 174.800 176.870 -0.019 0.000 1.339 298 L CA -1.489 53.356 54.840 0.010 0.000 0.900 298 L CB 0.529 42.603 42.059 0.025 0.000 1.246 298 L HN -0.114 nan 8.230 nan 0.000 0.524 299 P HA 0.001 nan 4.420 nan 0.000 0.257 299 P C -0.747 176.395 177.300 -0.265 0.000 1.189 299 P CA 0.089 63.105 63.100 -0.139 0.000 0.780 299 P CB 0.185 31.808 31.700 -0.128 0.000 0.772 300 L N 2.023 123.105 121.223 -0.234 0.000 2.352 300 L HA 0.509 4.850 4.340 0.002 0.000 0.269 300 L C 0.794 177.434 176.870 -0.383 0.000 1.034 300 L CA -0.203 54.511 54.840 -0.210 0.000 0.806 300 L CB 0.280 42.367 42.059 0.047 0.000 1.244 300 L HN 0.317 nan 8.230 nan 0.000 0.447 301 H N -0.115 118.991 119.070 0.060 0.000 2.788 301 H HA 0.504 5.061 4.556 0.002 0.000 0.262 301 H C -0.397 174.869 175.328 -0.103 0.000 0.968 301 H CA -0.034 56.016 56.048 0.003 0.000 1.218 301 H CB 0.584 30.391 29.762 0.075 0.000 1.443 301 H HN 0.305 nan 8.280 nan 0.000 0.478 302 V N 1.450 121.350 119.914 -0.024 0.000 2.531 302 V HA 0.241 4.362 4.120 0.002 0.000 0.301 302 V C -1.354 174.694 176.094 -0.077 0.000 1.034 302 V CA -0.944 61.195 62.300 -0.269 0.000 0.865 302 V CB 2.182 33.429 31.823 -0.960 0.000 0.995 302 V HN 0.127 nan 8.190 nan 0.000 0.424 303 F N 3.986 123.810 119.950 -0.211 0.000 2.458 303 F HA 0.706 5.234 4.527 0.002 0.000 0.336 303 F C -0.387 175.321 175.800 -0.153 0.000 1.114 303 F CA -0.581 57.318 58.000 -0.168 0.000 0.987 303 F CB 1.400 40.261 39.000 -0.232 0.000 1.130 303 F HN 0.690 nan 8.300 nan 0.000 0.458 304 H N 5.195 123.595 119.070 -1.116 0.000 2.466 304 H HA 0.461 5.018 4.556 0.002 0.000 0.338 304 H C -1.693 173.068 175.328 -0.944 0.000 1.091 304 H CA -0.682 54.926 56.048 -0.733 0.000 1.207 304 H CB 0.844 30.407 29.762 -0.332 0.000 1.466 304 H HN 0.499 nan 8.280 nan 0.000 0.493 305 F N 4.192 123.564 119.950 -0.963 0.000 2.405 305 F HA 0.167 4.695 4.527 0.002 0.000 0.355 305 F C 0.312 175.804 175.800 -0.515 0.000 1.121 305 F CA -0.592 57.096 58.000 -0.519 0.000 1.112 305 F CB 0.634 39.476 39.000 -0.263 0.000 1.126 305 F HN 0.699 nan 8.300 nan 0.000 0.481 306 D N 0.771 121.187 120.400 0.026 0.000 2.414 306 D HA 0.055 4.696 4.640 0.002 0.000 0.251 306 D C 1.156 177.538 176.300 0.137 0.000 1.252 306 D CA -0.537 53.541 54.000 0.130 0.000 0.999 306 D CB 0.251 41.212 40.800 0.268 0.000 1.093 306 D HN 0.531 nan 8.370 nan 0.000 0.515 307 C N -1.147 117.866 119.300 -0.477 0.000 2.391 307 C HA -0.225 4.236 4.460 0.002 0.000 0.276 307 C C 2.205 176.578 174.990 -1.027 0.000 1.191 307 C CA 0.434 58.603 59.018 -1.415 0.000 1.808 307 C CB -1.590 24.642 27.740 -2.513 0.000 2.095 307 C HN 0.579 nan 8.230 nan 0.000 0.478 308 F N 1.147 121.000 119.950 -0.160 0.000 2.773 308 F HA 0.053 4.581 4.527 0.002 0.000 0.299 308 F C 1.615 177.553 175.800 0.230 0.000 1.204 308 F CA -0.163 57.913 58.000 0.126 0.000 1.454 308 F CB -0.617 38.475 39.000 0.153 0.000 1.117 308 F HN 0.570 nan 8.300 nan 0.000 0.590 312 A N 1.886 124.482 122.820 -0.374 0.000 2.555 312 A HA 0.287 4.608 4.320 0.002 0.000 0.233 312 A C 0.457 177.469 177.584 -0.953 0.000 1.060 312 A CA 1.020 52.406 52.037 -1.085 0.000 0.759 312 A CB -0.820 17.594 19.000 -0.976 0.000 0.995 312 A HN 0.894 nan 8.150 nan 0.000 0.506 313 F N -1.937 117.381 119.950 -1.053 0.000 2.705 313 F HA -0.318 4.210 4.527 0.002 0.000 0.413 313 F C 1.598 177.129 175.800 -0.448 0.000 0.588 313 F CA 1.477 59.077 58.000 -0.667 0.000 1.187 313 F CB -1.241 37.499 39.000 -0.433 0.000 1.737 313 F HN 0.785 nan 8.300 nan 0.000 0.285 314 Q N -0.727 118.911 119.800 -0.271 0.000 2.141 314 Q HA 0.123 4.465 4.340 0.002 0.000 0.248 314 Q C -0.495 175.548 176.000 0.073 0.000 0.834 314 Q CA -0.595 55.179 55.803 -0.048 0.000 1.096 314 Q CB 0.098 28.840 28.738 0.007 0.000 1.189 314 Q HN 0.293 nan 8.270 nan 0.000 0.471 315 W N 0.865 122.107 121.300 -0.096 0.000 2.443 315 W HA 0.039 4.700 4.660 0.002 0.000 0.335 315 W C 0.557 177.157 176.519 0.135 0.000 1.382 315 W CA -0.389 56.928 57.345 -0.046 0.000 1.305 315 W CB -0.049 29.357 29.460 -0.090 0.000 1.283 315 W HN 0.445 nan 8.180 nan 0.000 0.567 316 C N 4.569 124.019 119.300 0.250 0.000 4.664 316 C HA -0.240 4.221 4.460 0.002 0.000 0.309 316 C C 1.079 176.041 174.990 -0.047 0.000 1.219 316 C CA 0.539 59.514 59.018 -0.071 0.000 2.220 316 C CB -2.224 25.541 27.740 0.043 0.000 1.206 316 C HN 0.712 nan 8.230 nan 0.000 0.743 317 D N -0.873 119.534 120.400 0.011 0.000 2.398 317 D HA 0.209 4.851 4.640 0.002 0.000 0.210 317 D C 0.838 177.355 176.300 0.362 0.000 1.094 317 D CA -0.121 54.080 54.000 0.334 0.000 0.839 317 D CB -0.394 40.587 40.800 0.301 0.000 0.963 317 D HN 0.582 nan 8.370 nan 0.000 0.506 318 F N 0.550 120.553 119.950 0.088 0.000 3.084 318 F HA -0.226 4.303 4.527 0.002 0.000 0.286 318 F C -0.286 175.573 175.800 0.098 0.000 0.855 318 F CA 0.533 58.567 58.000 0.056 0.000 1.091 318 F CB -2.279 36.763 39.000 0.069 0.000 1.177 318 F HN 0.034 nan 8.300 nan 0.000 0.542 319 E N -0.241 120.025 120.200 0.110 0.000 2.113 319 E HA 0.246 4.597 4.350 0.002 0.000 0.273 319 E C -0.397 176.325 176.600 0.202 0.000 0.924 319 E CA -0.964 55.575 56.400 0.232 0.000 0.764 319 E CB 0.654 30.485 29.700 0.217 0.000 1.104 319 E HN 0.208 nan 8.360 nan 0.000 0.406 320 W N 2.149 123.668 121.300 0.364 0.000 2.170 320 W HA -0.028 4.633 4.660 0.002 0.000 0.342 320 W C 0.877 177.564 176.519 0.279 0.000 1.294 320 W CA 0.125 57.735 57.345 0.442 0.000 1.246 320 W CB 0.277 30.005 29.460 0.446 0.000 1.156 320 W HN 0.394 nan 8.180 nan 0.000 0.572 321 D N 3.746 124.453 120.400 0.512 0.000 2.346 321 D HA 0.083 4.724 4.640 0.002 0.000 0.260 321 D C -1.534 174.938 176.300 0.286 0.000 1.252 321 D CA -1.955 52.226 54.000 0.300 0.000 0.895 321 D CB 1.307 42.235 40.800 0.213 0.000 1.097 321 D HN -0.002 nan 8.370 nan 0.000 0.489 322 P HA -0.100 nan 4.420 nan 0.000 0.220 322 P C 1.452 178.820 177.300 0.113 0.000 1.148 322 P CA 0.386 63.587 63.100 0.169 0.000 0.803 322 P CB 0.350 32.130 31.700 0.132 0.000 0.782 323 L N -1.444 119.827 121.223 0.080 0.000 2.179 323 L HA -0.026 4.316 4.340 0.002 0.000 0.208 323 L C 1.855 178.720 176.870 -0.009 0.000 1.096 323 L CA 1.970 56.829 54.840 0.031 0.000 0.779 323 L CB -1.732 40.336 42.059 0.013 0.000 0.922 323 L HN 0.056 nan 8.230 nan 0.000 0.443 324 T N -1.741 112.781 114.554 -0.053 0.000 3.033 324 T HA 0.104 4.456 4.350 0.002 0.000 0.248 324 T C 0.484 174.981 174.700 -0.338 0.000 1.040 324 T CA 0.416 62.347 62.100 -0.280 0.000 1.133 324 T CB 0.066 68.632 68.868 -0.504 0.000 0.895 324 T HN 0.022 nan 8.240 nan 0.000 0.465 325 F N 1.091 121.163 119.950 0.203 0.000 2.686 325 F HA 0.335 4.863 4.527 0.002 0.000 0.365 325 F C -2.215 173.617 175.800 0.053 0.000 1.196 325 F CA -2.269 55.809 58.000 0.130 0.000 1.198 325 F CB 1.916 41.029 39.000 0.190 0.000 1.454 325 F HN -0.045 nan 8.300 nan 0.000 0.539 326 P HA -0.149 nan 4.420 nan 0.000 0.218 326 P C 0.161 177.480 177.300 0.032 0.000 1.149 326 P CA 1.418 64.577 63.100 0.098 0.000 0.817 326 P CB 0.299 32.042 31.700 0.072 0.000 0.785 327 D N -2.192 118.203 120.400 -0.009 0.000 2.443 327 D HA 0.174 4.815 4.640 0.002 0.000 0.281 327 D C -1.929 174.209 176.300 -0.270 0.000 1.210 327 D CA -2.235 51.699 54.000 -0.111 0.000 0.875 327 D CB 0.322 41.077 40.800 -0.075 0.000 1.125 327 D HN -0.113 nan 8.370 nan 0.000 0.503 328 P HA -0.138 nan 4.420 nan 0.000 0.213 328 P C 0.981 177.872 177.300 -0.681 0.000 1.170 328 P CA 1.208 63.718 63.100 -0.983 0.000 0.902 328 P CB 0.499 31.181 31.700 -1.697 0.000 0.789 329 E N -0.145 119.775 120.200 -0.466 0.000 2.097 329 E HA -0.078 4.273 4.350 0.002 0.000 0.196 329 E C 1.581 178.037 176.600 -0.241 0.000 1.000 329 E CA 1.291 57.510 56.400 -0.301 0.000 0.804 329 E CB -1.393 28.186 29.700 -0.201 0.000 0.740 329 E HN 0.245 nan 8.360 nan 0.000 0.454 333 R N 2.572 122.985 120.500 -0.146 0.000 2.083 333 R HA -0.071 4.271 4.340 0.002 0.000 0.237 333 R C 2.086 178.321 176.300 -0.107 0.000 1.137 333 R CA 2.171 58.197 56.100 -0.123 0.000 0.951 333 R CB -0.111 30.119 30.300 -0.116 0.000 0.851 333 R HN 0.290 nan 8.270 nan 0.000 0.434 334 R N 0.144 120.583 120.500 -0.102 0.000 2.148 334 R HA -0.025 4.316 4.340 0.002 0.000 0.227 334 R C 2.311 178.554 176.300 -0.095 0.000 1.103 334 R CA 1.109 57.155 56.100 -0.090 0.000 0.983 334 R CB -0.185 30.068 30.300 -0.079 0.000 0.874 334 R HN 0.314 nan 8.270 nan 0.000 0.451 335 L N 0.610 121.774 121.223 -0.099 0.000 2.095 335 L HA -0.081 4.260 4.340 0.002 0.000 0.204 335 L C 1.984 178.788 176.870 -0.110 0.000 1.080 335 L CA 1.222 55.998 54.840 -0.107 0.000 0.759 335 L CB -0.177 41.834 42.059 -0.080 0.000 0.914 335 L HN 0.077 nan 8.230 nan 0.000 0.439 336 K N 0.197 120.529 120.400 -0.113 0.000 2.432 336 K HA 0.034 4.355 4.320 0.002 0.000 0.196 336 K C 1.854 178.380 176.600 -0.123 0.000 1.038 336 K CA 0.757 56.965 56.287 -0.132 0.000 0.986 336 K CB 0.037 32.448 32.500 -0.148 0.000 0.782 336 K HN 0.209 nan 8.250 nan 0.000 0.485 337 A N 1.393 124.149 122.820 -0.107 0.000 2.206 337 A HA -0.052 4.269 4.320 0.002 0.000 0.211 337 A C 1.306 178.836 177.584 -0.091 0.000 1.158 337 A CA 0.840 52.821 52.037 -0.094 0.000 0.761 337 A CB 0.001 18.951 19.000 -0.084 0.000 0.801 337 A HN 0.130 nan 8.150 nan 0.000 0.473 338 K N -0.917 119.424 120.400 -0.098 0.000 2.440 338 K HA 0.294 4.615 4.320 0.002 0.000 0.206 338 K C 0.783 177.324 176.600 -0.098 0.000 1.025 338 K CA 0.327 56.558 56.287 -0.094 0.000 1.135 338 K CB 0.194 32.634 32.500 -0.099 0.000 0.856 338 K HN 0.496 nan 8.250 nan 0.000 0.502 339 G N 1.770 110.505 108.800 -0.107 0.000 2.160 339 G HA2 -0.273 3.688 3.960 0.002 0.000 0.251 339 G HA3 -0.273 3.688 3.960 0.002 0.000 0.251 339 G C -0.068 174.753 174.900 -0.132 0.000 1.008 339 G CA -0.007 45.025 45.100 -0.114 0.000 0.724 339 G HN 0.214 nan 8.290 nan 0.000 0.514 340 L N -0.125 121.012 121.223 -0.144 0.000 2.343 340 L HA 0.528 4.869 4.340 0.002 0.000 0.275 340 L C 0.605 177.337 176.870 -0.230 0.000 1.056 340 L CA -0.961 53.788 54.840 -0.151 0.000 0.804 340 L CB 1.123 43.117 42.059 -0.109 0.000 1.203 340 L HN -0.099 nan 8.230 nan 0.000 0.440 341 K N 2.938 123.157 120.400 -0.301 0.000 2.098 341 K HA 0.563 4.885 4.320 0.002 0.000 0.258 341 K C -0.695 175.722 176.600 -0.306 0.000 0.973 341 K CA -0.636 55.367 56.287 -0.473 0.000 0.898 341 K CB 2.017 34.033 32.500 -0.806 0.000 1.057 341 K HN 0.312 nan 8.250 nan 0.000 0.447 342 I N 1.264 121.663 120.570 -0.285 0.000 2.465 342 I HA 0.225 4.396 4.170 0.002 0.000 0.291 342 I C -0.126 175.879 176.117 -0.187 0.000 1.014 342 I CA -0.800 60.416 61.300 -0.141 0.000 1.093 342 I CB 1.450 39.426 38.000 -0.040 0.000 1.267 342 I HN 0.500 nan 8.210 nan 0.000 0.431 343 C N 7.703 126.932 119.300 -0.118 0.000 2.507 343 C HA 0.867 5.328 4.460 0.002 0.000 0.319 343 C C -0.224 174.766 174.990 -0.000 0.000 1.208 343 C CA -0.217 58.762 59.018 -0.066 0.000 1.619 343 C CB 0.876 28.650 27.740 0.057 0.000 2.230 343 C HN 0.654 nan 8.230 nan 0.000 0.492 344 V N 2.879 122.782 119.914 -0.018 0.000 2.823 344 V HA 0.693 4.814 4.120 0.002 0.000 0.312 344 V C -0.736 175.545 176.094 0.313 0.000 1.072 344 V CA -0.875 61.380 62.300 -0.074 0.000 0.937 344 V CB 1.438 32.980 31.823 -0.470 0.000 1.013 344 V HN 1.098 nan 8.190 nan 0.000 0.430 345 W N 5.637 127.069 121.300 0.221 0.000 2.218 345 W HA 0.751 5.412 4.660 0.002 0.000 0.326 345 W C -0.326 176.439 176.519 0.410 0.000 1.276 345 W CA -0.131 57.434 57.345 0.367 0.000 1.210 345 W CB 0.894 30.502 29.460 0.245 0.000 1.143 345 W HN 0.910 nan 8.180 nan 0.000 0.563 346 I N 4.357 124.593 120.570 -0.556 0.000 3.004 346 I HA 0.605 4.776 4.170 0.002 0.000 0.305 346 I C -1.318 174.213 176.117 -0.977 0.000 1.312 346 I CA -1.113 59.842 61.300 -0.574 0.000 0.992 346 I CB 2.140 40.125 38.000 -0.024 0.000 1.282 346 I HN 0.625 nan 8.210 nan 0.000 0.449 347 N N 2.788 121.149 118.700 -0.565 0.000 2.934 347 N HA 0.549 5.291 4.740 0.002 0.000 0.253 347 N C -2.941 172.495 175.510 -0.123 0.000 1.466 347 N CA -1.741 51.105 53.050 -0.340 0.000 0.858 347 N CB 1.961 40.192 38.487 -0.427 0.000 1.459 347 N HN 0.462 nan 8.380 nan 0.000 0.532 348 P HA 0.273 nan 4.420 nan 0.000 0.248 348 P C -1.125 176.222 177.300 0.080 0.000 1.708 348 P CA 0.202 63.173 63.100 -0.215 0.000 1.062 348 P CB -0.415 30.948 31.700 -0.562 0.000 1.562 349 Y N -0.026 120.455 120.300 0.301 0.000 2.598 349 Y HA 0.620 5.171 4.550 0.002 0.000 0.340 349 Y C 0.351 176.402 175.900 0.251 0.000 1.038 349 Y CA -2.321 55.900 58.100 0.201 0.000 1.100 349 Y CB 1.562 40.160 38.460 0.230 0.000 1.281 349 Y HN -0.213 nan 8.280 nan 0.000 0.488 350 I N 0.698 121.451 120.570 0.304 0.000 2.607 350 I HA 0.690 4.861 4.170 0.002 0.000 0.290 350 I C -0.208 176.098 176.117 0.315 0.000 1.129 350 I CA -0.557 60.910 61.300 0.278 0.000 1.042 350 I CB 1.620 39.675 38.000 0.091 0.000 1.242 350 I HN 0.750 nan 8.210 nan 0.000 0.421 351 G N 4.394 113.336 108.800 0.237 0.000 2.467 351 G HA2 0.104 4.065 3.960 0.002 0.000 0.257 351 G HA3 0.104 4.065 3.960 0.002 0.000 0.257 351 G C 0.277 175.130 174.900 -0.079 0.000 1.227 351 G CA -0.264 44.879 45.100 0.070 0.000 0.835 351 G HN 0.850 nan 8.290 nan 0.000 0.556 352 Q N 0.881 120.394 119.800 -0.478 0.000 2.291 352 Q HA -0.112 4.229 4.340 0.002 0.000 0.206 352 Q C 2.172 177.809 176.000 -0.605 0.000 0.976 352 Q CA 1.349 56.425 55.803 -1.212 0.000 0.875 352 Q CB -0.036 28.061 28.738 -1.068 0.000 0.927 352 Q HN 0.699 nan 8.270 nan 0.000 0.450 353 K N 0.234 120.456 120.400 -0.296 0.000 2.283 353 K HA -0.039 4.282 4.320 0.002 0.000 0.202 353 K C 0.578 177.149 176.600 -0.049 0.000 1.048 353 K CA 0.523 56.715 56.287 -0.158 0.000 0.948 353 K CB -0.014 32.424 32.500 -0.104 0.000 0.742 353 K HN 0.034 nan 8.250 nan 0.000 0.458 354 S N 1.234 116.944 115.700 0.017 0.000 2.546 354 S HA 0.056 4.527 4.470 0.002 0.000 0.290 354 S C -1.895 172.796 174.600 0.152 0.000 1.290 354 S CA -1.304 56.965 58.200 0.116 0.000 1.069 354 S CB 0.911 64.231 63.200 0.200 0.000 0.846 354 S HN 0.070 nan 8.310 nan 0.000 0.495 355 P HA -0.083 nan 4.420 nan 0.000 0.219 355 P C 1.209 178.609 177.300 0.167 0.000 1.146 355 P CA 0.680 63.860 63.100 0.133 0.000 0.808 355 P CB 0.070 31.844 31.700 0.124 0.000 0.779 356 V N -1.688 118.355 119.914 0.214 0.000 2.871 356 V HA -0.164 3.957 4.120 0.002 0.000 0.256 356 V C 1.985 178.160 176.094 0.134 0.000 1.082 356 V CA 0.923 63.352 62.300 0.215 0.000 1.105 356 V CB -1.341 30.693 31.823 0.351 0.000 0.713 356 V HN 0.031 nan 8.190 nan 0.000 0.473 357 F N 2.057 122.021 119.950 0.022 0.000 2.063 357 F HA -0.341 4.187 4.527 0.002 0.000 0.298 357 F C 2.310 178.069 175.800 -0.068 0.000 1.105 357 F CA 2.227 60.204 58.000 -0.039 0.000 1.215 357 F CB -0.080 38.902 39.000 -0.030 0.000 0.972 357 F HN 0.077 nan 8.300 nan 0.000 0.483 358 K N 0.433 120.942 120.400 0.181 0.000 2.063 358 K HA -0.223 4.098 4.320 0.002 0.000 0.208 358 K C 2.017 178.573 176.600 -0.074 0.000 1.048 358 K CA 1.726 58.053 56.287 0.067 0.000 0.928 358 K CB -0.821 31.733 32.500 0.090 0.000 0.713 358 K HN 0.515 nan 8.250 nan 0.000 0.442 359 E N 0.993 121.153 120.200 -0.067 0.000 2.038 359 E HA -0.195 4.156 4.350 0.002 0.000 0.195 359 E C 1.833 178.257 176.600 -0.294 0.000 1.000 359 E CA 1.218 57.544 56.400 -0.124 0.000 0.803 359 E CB -0.113 29.563 29.700 -0.040 0.000 0.750 359 E HN 0.251 nan 8.360 nan 0.000 0.448 360 L N 0.618 121.614 121.223 -0.378 0.000 2.131 360 L HA -0.191 4.150 4.340 0.002 0.000 0.210 360 L C 2.915 179.500 176.870 -0.474 0.000 1.092 360 L CA 1.343 55.872 54.840 -0.520 0.000 0.759 360 L CB -0.452 41.292 42.059 -0.525 0.000 0.903 360 L HN 0.316 nan 8.230 nan 0.000 0.435 361 Q N 0.473 120.013 119.800 -0.434 0.000 2.079 361 Q HA -0.214 4.127 4.340 0.002 0.000 0.200 361 Q C 2.001 177.861 176.000 -0.234 0.000 0.974 361 Q CA 1.570 57.172 55.803 -0.336 0.000 0.840 361 Q CB 0.109 28.687 28.738 -0.267 0.000 0.898 361 Q HN 0.539 nan 8.270 nan 0.000 0.430 362 E N -0.003 120.068 120.200 -0.215 0.000 2.106 362 E HA -0.142 4.210 4.350 0.002 0.000 0.192 362 E C 1.937 178.403 176.600 -0.224 0.000 0.984 362 E CA 0.759 57.058 56.400 -0.168 0.000 0.806 362 E CB 0.143 29.768 29.700 -0.126 0.000 0.750 362 E HN 0.183 nan 8.360 nan 0.000 0.458 363 K N -0.304 119.856 120.400 -0.399 0.000 2.288 363 K HA -0.017 4.304 4.320 0.002 0.000 0.201 363 K C 1.265 177.595 176.600 -0.450 0.000 1.048 363 K CA 0.889 56.817 56.287 -0.598 0.000 0.956 363 K CB 0.149 31.835 32.500 -1.357 0.000 0.746 363 K HN 0.303 nan 8.250 nan 0.000 0.461 364 G N 1.232 109.846 108.800 -0.310 0.000 2.171 364 G HA2 -0.274 3.687 3.960 0.002 0.000 0.238 364 G HA3 -0.274 3.687 3.960 0.002 0.000 0.238 364 G C 0.450 175.408 174.900 0.096 0.000 1.039 364 G CA 0.163 45.220 45.100 -0.071 0.000 0.759 364 G HN 0.470 nan 8.290 nan 0.000 0.501 365 Y N -0.664 119.551 120.300 -0.142 0.000 2.523 365 Y HA 0.330 4.881 4.550 0.002 0.000 0.279 365 Y C 1.802 177.620 175.900 -0.137 0.000 1.139 365 Y CA -0.355 57.668 58.100 -0.129 0.000 1.296 365 Y CB 0.302 38.669 38.460 -0.156 0.000 1.045 365 Y HN 0.229 nan 8.280 nan 0.000 0.538 366 L N 0.908 122.093 121.223 -0.064 0.000 2.379 366 L HA 0.225 4.566 4.340 0.002 0.000 0.269 366 L C 0.076 176.875 176.870 -0.117 0.000 1.084 366 L CA -0.723 54.018 54.840 -0.166 0.000 0.802 366 L CB 1.389 43.267 42.059 -0.302 0.000 1.175 366 L HN 0.066 nan 8.230 nan 0.000 0.448 367 L N 2.562 123.683 121.223 -0.170 0.000 2.499 367 L HA 0.083 4.424 4.340 0.002 0.000 0.273 367 L C -0.072 176.693 176.870 -0.175 0.000 1.195 367 L CA 0.466 55.136 54.840 -0.285 0.000 0.882 367 L CB 0.368 42.126 42.059 -0.501 0.000 1.133 367 L HN 0.655 nan 8.230 nan 0.000 0.483 368 K N 4.481 124.774 120.400 -0.180 0.000 2.221 368 K HA 0.519 4.840 4.320 0.002 0.000 0.243 368 K C -0.609 175.942 176.600 -0.082 0.000 0.968 368 K CA -0.860 55.379 56.287 -0.081 0.000 0.846 368 K CB 1.937 34.412 32.500 -0.042 0.000 1.141 368 K HN 0.560 nan 8.250 nan 0.000 0.434 369 R N 0.782 121.280 120.500 -0.003 0.000 2.546 369 R HA 0.141 4.482 4.340 0.002 0.000 0.266 369 R C -1.753 174.544 176.300 -0.005 0.000 1.086 369 R CA -1.776 54.336 56.100 0.020 0.000 1.160 369 R CB 0.093 30.427 30.300 0.057 0.000 1.138 369 R HN 0.324 nan 8.270 nan 0.000 0.567 370 P HA -0.162 nan 4.420 nan 0.000 0.218 370 P C 0.250 177.553 177.300 0.004 0.000 1.148 370 P CA 1.259 64.362 63.100 0.004 0.000 0.822 370 P CB 0.098 31.806 31.700 0.014 0.000 0.784 371 D N -1.816 118.588 120.400 0.006 0.000 2.363 371 D HA 0.028 4.670 4.640 0.002 0.000 0.220 371 D C 1.485 177.785 176.300 0.000 0.000 0.994 371 D CA 0.966 54.968 54.000 0.004 0.000 0.890 371 D CB -0.828 39.974 40.800 0.004 0.000 0.906 371 D HN 0.246 nan 8.370 nan 0.000 0.530 372 G N -0.159 108.640 108.800 -0.001 0.000 2.213 372 G HA2 -0.256 3.705 3.960 0.002 0.000 0.226 372 G HA3 -0.256 3.705 3.960 0.002 0.000 0.226 372 G C 0.435 175.331 174.900 -0.006 0.000 0.992 372 G CA 0.293 45.391 45.100 -0.002 0.000 0.632 372 G HN 0.805 nan 8.290 nan 0.000 0.511 373 S N 0.507 116.203 115.700 -0.007 0.000 2.614 373 S HA 0.728 5.199 4.470 0.002 0.000 0.265 373 S C 0.577 175.172 174.600 -0.009 0.000 1.303 373 S CA -0.729 57.465 58.200 -0.011 0.000 1.000 373 S CB 1.452 64.643 63.200 -0.015 0.000 0.935 373 S HN 0.614 nan 8.310 nan 0.000 0.551 374 L N 0.880 122.096 121.223 -0.012 0.000 2.397 374 L HA 0.271 4.612 4.340 0.002 0.000 0.271 374 L C -0.057 176.817 176.870 0.008 0.000 1.148 374 L CA -0.604 54.234 54.840 -0.003 0.000 0.825 374 L CB 0.432 42.492 42.059 0.002 0.000 1.117 374 L HN 0.837 nan 8.230 nan 0.000 0.456 375 W N 4.065 125.286 121.300 -0.131 0.000 2.287 375 W HA 0.332 4.993 4.660 0.002 0.000 0.313 375 W C -0.458 175.987 176.519 -0.123 0.000 1.267 375 W CA -0.044 57.209 57.345 -0.154 0.000 1.201 375 W CB 0.604 29.916 29.460 -0.246 0.000 1.196 375 W HN 0.434 nan 8.180 nan 0.000 0.536 376 Q N 5.178 124.454 119.800 -0.873 0.000 2.482 376 Q HA 0.410 4.751 4.340 0.002 0.000 0.286 376 Q C -1.189 174.340 176.000 -0.785 0.000 1.007 376 Q CA -0.885 54.538 55.803 -0.632 0.000 0.801 376 Q CB 2.689 31.297 28.738 -0.216 0.000 1.455 376 Q HN 0.570 nan 8.270 nan 0.000 0.398 377 W N 0.148 121.091 121.300 -0.595 0.000 2.895 377 W HA 0.441 5.102 4.660 0.002 0.000 0.377 377 W C -1.469 174.928 176.519 -0.203 0.000 1.191 377 W CA -0.805 56.296 57.345 -0.406 0.000 1.179 377 W CB -0.134 29.078 29.460 -0.413 0.000 1.469 377 W HN 0.548 nan 8.180 nan 0.000 0.577 378 D N 0.609 120.937 120.400 -0.120 0.000 2.402 378 D HA 0.029 4.670 4.640 0.002 0.000 0.216 378 D C 1.633 177.733 176.300 -0.334 0.000 1.128 378 D CA -0.123 53.760 54.000 -0.194 0.000 0.833 378 D CB 0.524 41.220 40.800 -0.172 0.000 0.971 378 D HN 0.164 nan 8.370 nan 0.000 0.503 379 K N -0.116 119.807 120.400 -0.796 0.000 2.020 379 K HA -0.172 4.150 4.320 0.002 0.000 0.212 379 K C 1.542 178.093 176.600 -0.082 0.000 1.050 379 K CA 1.104 56.980 56.287 -0.685 0.000 0.929 379 K CB -0.112 31.521 32.500 -1.446 0.000 0.714 379 K HN 0.316 nan 8.250 nan 0.000 0.443 380 W N 0.068 121.309 121.300 -0.099 0.000 2.904 380 W HA 0.144 4.805 4.660 0.002 0.000 0.265 380 W C -0.072 176.493 176.519 0.077 0.000 1.138 380 W CA 0.054 57.432 57.345 0.056 0.000 1.455 380 W CB 1.004 30.529 29.460 0.109 0.000 0.924 380 W HN -0.130 nan 8.180 nan 0.000 0.619 381 Q N 0.146 119.954 119.800 0.014 0.000 2.345 381 Q HA 0.313 4.654 4.340 0.002 0.000 0.275 381 Q C -2.642 173.317 176.000 -0.070 0.000 1.063 381 Q CA -2.289 53.450 55.803 -0.107 0.000 0.819 381 Q CB 1.803 30.538 28.738 -0.006 0.000 1.356 381 Q HN -0.260 nan 8.270 nan 0.000 0.418 382 P HA 0.009 nan 4.420 nan 0.000 0.265 382 P C 0.499 177.694 177.300 -0.174 0.000 1.193 382 P CA 0.871 63.843 63.100 -0.214 0.000 0.765 382 P CB 0.352 31.834 31.700 -0.362 0.000 0.823 383 G N 2.934 111.643 108.800 -0.151 0.000 2.361 383 G HA2 -0.298 3.663 3.960 0.002 0.000 0.294 383 G HA3 -0.298 3.663 3.960 0.002 0.000 0.294 383 G C 0.140 175.015 174.900 -0.041 0.000 1.004 383 G CA -0.078 44.935 45.100 -0.145 0.000 0.870 383 G HN 0.623 nan 8.290 nan 0.000 0.510 384 L N -0.149 121.123 121.223 0.082 0.000 2.578 384 L HA 0.443 4.784 4.340 0.002 0.000 0.279 384 L C 0.704 177.711 176.870 0.229 0.000 1.227 384 L CA 0.550 55.516 54.840 0.210 0.000 0.900 384 L CB 0.388 42.639 42.059 0.319 0.000 1.144 384 L HN 0.557 nan 8.230 nan 0.000 0.496 385 A N 6.351 129.336 122.820 0.274 0.000 2.386 385 A HA 0.799 5.120 4.320 0.002 0.000 0.308 385 A C -0.845 176.791 177.584 0.088 0.000 1.128 385 A CA -0.755 51.393 52.037 0.185 0.000 0.789 385 A CB 1.199 20.271 19.000 0.120 0.000 1.325 385 A HN 0.694 nan 8.150 nan 0.000 0.437 386 I N 0.521 121.092 120.570 0.002 0.000 2.474 386 I HA 0.261 4.432 4.170 0.002 0.000 0.294 386 I C -1.138 174.874 176.117 -0.175 0.000 1.005 386 I CA -0.506 60.782 61.300 -0.021 0.000 1.113 386 I CB 1.549 39.488 38.000 -0.100 0.000 1.289 386 I HN 0.644 nan 8.210 nan 0.000 0.436 387 Y N 3.481 123.681 120.300 -0.167 0.000 2.569 387 Y HA -0.030 4.521 4.550 0.002 0.000 0.332 387 Y C 0.757 176.379 175.900 -0.463 0.000 1.120 387 Y CA 0.080 57.936 58.100 -0.406 0.000 1.416 387 Y CB 0.199 38.195 38.460 -0.772 0.000 1.210 387 Y HN 0.439 nan 8.280 nan 0.000 0.528 388 D N 4.693 125.063 120.400 -0.050 0.000 2.402 388 D HA 0.026 4.667 4.640 0.002 0.000 0.235 388 D C 0.093 176.525 176.300 0.220 0.000 1.226 388 D CA 0.117 54.221 54.000 0.173 0.000 0.918 388 D CB -0.190 40.706 40.800 0.159 0.000 1.043 388 D HN 0.554 nan 8.370 nan 0.000 0.506 389 F N 1.197 121.347 119.950 0.334 0.000 2.805 389 F HA -0.065 4.463 4.527 0.002 0.000 0.301 389 F C 2.269 178.109 175.800 0.066 0.000 1.196 389 F CA 0.248 58.287 58.000 0.065 0.000 1.439 389 F CB 0.259 39.161 39.000 -0.162 0.000 1.117 389 F HN 0.329 nan 8.300 nan 0.000 0.581 390 T N -3.924 110.855 114.554 0.375 0.000 3.060 390 T HA -0.001 4.350 4.350 0.002 0.000 0.249 390 T C 0.647 175.513 174.700 0.277 0.000 1.079 390 T CA -0.233 62.053 62.100 0.310 0.000 1.013 390 T CB -0.208 68.896 68.868 0.393 0.000 0.975 390 T HN -0.009 nan 8.240 nan 0.000 0.518 391 N N 2.501 121.260 118.700 0.098 0.000 2.420 391 N HA 0.264 5.005 4.740 0.002 0.000 0.249 391 N C -2.138 173.200 175.510 -0.286 0.000 1.033 391 N CA -2.188 50.600 53.050 -0.437 0.000 0.944 391 N CB 1.890 40.028 38.487 -0.583 0.000 1.113 391 N HN -0.058 nan 8.380 nan 0.000 0.502 392 P HA -0.144 nan 4.420 nan 0.000 0.216 392 P C 0.425 177.626 177.300 -0.164 0.000 1.157 392 P CA 1.350 64.380 63.100 -0.116 0.000 0.880 392 P CB 0.403 32.077 31.700 -0.043 0.000 0.791 393 D N -1.241 119.003 120.400 -0.260 0.000 2.144 393 D HA -0.082 4.560 4.640 0.002 0.000 0.200 393 D C 2.005 177.931 176.300 -0.624 0.000 0.978 393 D CA 1.400 55.217 54.000 -0.305 0.000 0.833 393 D CB -0.853 39.842 40.800 -0.175 0.000 0.961 393 D HN 0.070 nan 8.370 nan 0.000 0.470 394 A N 0.286 122.633 122.820 -0.789 0.000 1.902 394 A HA -0.190 4.131 4.320 0.002 0.000 0.217 394 A C 2.490 180.045 177.584 -0.048 0.000 1.181 394 A CA 1.277 52.920 52.037 -0.656 0.000 0.623 394 A CB -0.951 17.879 19.000 -0.283 0.000 0.818 394 A HN 0.348 nan 8.150 nan 0.000 0.443 395 C N -0.744 118.559 119.300 0.005 0.000 2.432 395 C HA -0.081 4.380 4.460 0.002 0.000 0.277 395 C C 2.701 177.714 174.990 0.039 0.000 1.249 395 C CA 1.259 60.317 59.018 0.067 0.000 1.725 395 C CB -1.046 26.679 27.740 -0.025 0.000 2.028 395 C HN 0.614 nan 8.230 nan 0.000 0.477 396 K N -0.750 119.642 120.400 -0.013 0.000 2.009 396 K HA -0.250 4.071 4.320 0.002 0.000 0.210 396 K C 1.886 178.503 176.600 0.028 0.000 1.049 396 K CA 2.113 58.394 56.287 -0.010 0.000 0.929 396 K CB -0.357 32.137 32.500 -0.009 0.000 0.714 396 K HN 0.711 nan 8.250 nan 0.000 0.440 397 W N 0.545 121.795 121.300 -0.083 0.000 2.318 397 W HA -0.306 4.355 4.660 0.002 0.000 0.313 397 W C 2.094 178.592 176.519 -0.035 0.000 1.221 397 W CA 1.782 59.125 57.345 -0.004 0.000 1.266 397 W CB -0.543 28.972 29.460 0.093 0.000 1.150 397 W HN 0.137 nan 8.180 nan 0.000 0.496 398 Y N 0.656 121.042 120.300 0.143 0.000 2.145 398 Y HA -0.205 4.346 4.550 0.002 0.000 0.286 398 Y C 2.458 178.107 175.900 -0.418 0.000 1.145 398 Y CA 2.902 60.930 58.100 -0.120 0.000 1.148 398 Y CB -1.032 37.474 38.460 0.078 0.000 0.981 398 Y HN 0.002 nan 8.280 nan 0.000 0.507 399 A N 0.048 122.806 122.820 -0.104 0.000 1.908 399 A HA -0.218 4.104 4.320 0.002 0.000 0.218 399 A C 1.906 179.295 177.584 -0.325 0.000 1.181 399 A CA 2.078 53.987 52.037 -0.214 0.000 0.627 399 A CB -0.876 18.044 19.000 -0.134 0.000 0.818 399 A HN 0.525 nan 8.150 nan 0.000 0.445 400 D N -0.019 120.185 120.400 -0.326 0.000 2.123 400 D HA -0.128 4.513 4.640 0.002 0.000 0.196 400 D C 1.855 177.873 176.300 -0.469 0.000 0.992 400 D CA 1.158 54.956 54.000 -0.337 0.000 0.833 400 D CB -0.199 40.419 40.800 -0.304 0.000 0.954 400 D HN 0.251 nan 8.370 nan 0.000 0.455 401 K N 0.392 120.332 120.400 -0.766 0.000 2.147 401 K HA -0.043 4.279 4.320 0.002 0.000 0.205 401 K C 2.334 178.480 176.600 -0.757 0.000 1.049 401 K CA 0.312 56.050 56.287 -0.914 0.000 0.936 401 K CB -0.413 31.116 32.500 -1.619 0.000 0.722 401 K HN 0.284 nan 8.250 nan 0.000 0.446 402 L N 0.803 121.571 121.223 -0.759 0.000 2.027 402 L HA -0.155 4.186 4.340 0.002 0.000 0.206 402 L C 2.381 179.167 176.870 -0.140 0.000 1.074 402 L CA 1.268 55.830 54.840 -0.464 0.000 0.745 402 L CB -0.368 41.361 42.059 -0.549 0.000 0.898 402 L HN 0.138 nan 8.230 nan 0.000 0.433 403 K N 0.152 120.442 120.400 -0.183 0.000 2.103 403 K HA -0.136 4.185 4.320 0.002 0.000 0.207 403 K C 2.122 178.668 176.600 -0.089 0.000 1.048 403 K CA 1.316 57.539 56.287 -0.106 0.000 0.930 403 K CB -0.504 31.922 32.500 -0.124 0.000 0.716 403 K HN 0.409 nan 8.250 nan 0.000 0.444 404 G N 1.510 110.232 108.800 -0.130 0.000 2.442 404 G HA2 -0.233 3.728 3.960 0.002 0.000 0.219 404 G HA3 -0.233 3.728 3.960 0.002 0.000 0.219 404 G C 1.480 176.370 174.900 -0.015 0.000 1.141 404 G CA 0.601 45.652 45.100 -0.081 0.000 0.763 404 G HN 0.113 nan 8.290 nan 0.000 0.554 405 L N 0.039 121.271 121.223 0.016 0.000 2.109 405 L HA -0.017 4.324 4.340 0.002 0.000 0.207 405 L C 2.978 179.852 176.870 0.008 0.000 1.086 405 L CA 0.210 55.097 54.840 0.079 0.000 0.760 405 L CB -0.262 41.903 42.059 0.176 0.000 0.910 405 L HN 0.089 nan 8.230 nan 0.000 0.437 406 V N 0.175 120.095 119.914 0.009 0.000 2.343 406 V HA -0.184 3.937 4.120 0.002 0.000 0.247 406 V C 1.802 177.848 176.094 -0.082 0.000 1.051 406 V CA 1.053 63.312 62.300 -0.068 0.000 1.036 406 V CB -0.917 30.878 31.823 -0.046 0.000 0.654 406 V HN 0.425 nan 8.190 nan 0.000 0.451 410 V N 2.626 122.426 119.914 -0.190 0.000 2.617 410 V HA 0.126 4.247 4.120 0.002 0.000 0.304 410 V C 0.724 176.615 176.094 -0.340 0.000 1.040 410 V CA 1.040 63.174 62.300 -0.276 0.000 1.149 410 V CB 1.171 32.794 31.823 -0.333 0.000 0.914 410 V HN 0.317 nan 8.190 nan 0.000 0.487 411 D N 2.015 122.203 120.400 -0.354 0.000 2.380 411 D HA 0.148 4.789 4.640 0.002 0.000 0.212 411 D C 0.446 176.579 176.300 -0.278 0.000 1.021 411 D CA 0.793 54.615 54.000 -0.296 0.000 0.884 411 D CB 0.783 41.386 40.800 -0.329 0.000 1.001 411 D HN 0.767 nan 8.370 nan 0.000 0.506 412 C N -1.231 117.822 119.300 -0.411 0.000 3.332 412 C HA 0.782 5.243 4.460 0.002 0.000 0.329 412 C C -1.294 173.357 174.990 -0.565 0.000 1.434 412 C CA -1.345 57.459 59.018 -0.357 0.000 1.314 412 C CB 0.786 28.535 27.740 0.016 0.000 1.664 412 C HN -0.032 nan 8.230 nan 0.000 0.457 413 F N 0.404 120.372 119.950 0.031 0.000 2.563 413 F HA 0.660 5.188 4.527 0.002 0.000 0.316 413 F C 0.090 175.903 175.800 0.022 0.000 1.076 413 F CA -0.667 57.349 58.000 0.026 0.000 0.921 413 F CB 1.798 40.796 39.000 -0.003 0.000 1.209 413 F HN 0.729 nan 8.300 nan 0.000 0.462 414 K N 1.710 122.249 120.400 0.232 0.000 2.347 414 K HA 0.292 4.613 4.320 0.002 0.000 0.262 414 K C -0.714 175.852 176.600 -0.056 0.000 1.052 414 K CA -0.436 55.889 56.287 0.064 0.000 0.946 414 K CB 0.659 33.156 32.500 -0.005 0.000 1.220 414 K HN 0.730 nan 8.250 nan 0.000 0.450 415 T N 1.036 115.554 114.554 -0.059 0.000 2.987 415 T HA 0.048 4.399 4.350 0.002 0.000 0.288 415 T C 0.589 175.270 174.700 -0.032 0.000 0.981 415 T CA -0.684 61.368 62.100 -0.079 0.000 1.031 415 T CB 0.720 69.365 68.868 -0.371 0.000 0.976 415 T HN 0.457 nan 8.240 nan 0.000 0.612 416 D N 1.231 121.537 120.400 -0.157 0.000 2.317 416 D HA 0.116 4.757 4.640 0.002 0.000 0.211 416 D C 0.083 176.321 176.300 -0.103 0.000 0.966 416 D CA 0.351 54.284 54.000 -0.112 0.000 0.876 416 D CB 0.079 40.846 40.800 -0.055 0.000 0.927 416 D HN 0.540 nan 8.370 nan 0.000 0.519 417 F N -1.590 118.326 119.950 -0.057 0.000 3.255 417 F HA 0.477 5.005 4.527 0.002 0.000 0.204 417 F C 1.903 177.770 175.800 0.110 0.000 1.613 417 F CA 0.102 58.095 58.000 -0.012 0.000 0.925 417 F CB -0.074 38.861 39.000 -0.108 0.000 1.893 417 F HN -0.144 nan 8.300 nan 0.000 0.306 418 G N -0.171 108.832 108.800 0.338 0.000 2.176 418 G HA2 -0.229 3.732 3.960 0.002 0.000 0.232 418 G HA3 -0.229 3.732 3.960 0.002 0.000 0.232 418 G C 0.640 175.706 174.900 0.276 0.000 0.986 418 G CA 0.580 45.877 45.100 0.328 0.000 0.643 418 G HN 0.424 nan 8.290 nan 0.000 0.522 419 E N 0.195 120.567 120.200 0.288 0.000 2.075 419 E HA 0.202 4.553 4.350 0.002 0.000 0.190 419 E C 1.742 178.350 176.600 0.013 0.000 0.969 419 E CA 0.345 56.830 56.400 0.141 0.000 0.815 419 E CB -0.082 29.776 29.700 0.263 0.000 0.776 419 E HN 0.444 nan 8.360 nan 0.000 0.457 420 R N 1.559 122.181 120.500 0.203 0.000 4.559 420 R HA 0.089 4.431 4.340 0.002 0.000 0.177 420 R C -0.481 175.766 176.300 -0.088 0.000 1.875 420 R CA -0.031 56.181 56.100 0.187 0.000 1.509 420 R CB -0.354 30.179 30.300 0.387 0.000 1.395 420 R HN 0.088 nan 8.270 nan 0.000 0.830 421 I N 3.967 124.400 120.570 -0.229 0.000 2.337 421 I HA 0.171 4.342 4.170 0.002 0.000 0.291 421 I C -1.525 174.504 176.117 -0.146 0.000 1.046 421 I CA -3.389 57.705 61.300 -0.343 0.000 1.324 421 I CB 0.452 38.201 38.000 -0.419 0.000 1.409 421 I HN 0.098 nan 8.210 nan 0.000 0.494 422 P HA 0.105 nan 4.420 nan 0.000 0.271 422 P C 0.449 177.651 177.300 -0.164 0.000 1.233 422 P CA 0.103 62.899 63.100 -0.508 0.000 0.789 422 P CB 0.833 31.682 31.700 -1.418 0.000 0.951 423 T N -4.458 110.088 114.554 -0.013 0.000 2.975 423 T HA 0.036 4.387 4.350 0.002 0.000 0.257 423 T C 0.497 175.234 174.700 0.063 0.000 1.003 423 T CA -0.148 62.020 62.100 0.114 0.000 0.932 423 T CB -0.428 68.568 68.868 0.214 0.000 1.087 423 T HN 0.409 nan 8.240 nan 0.000 0.512 424 D N 3.125 123.541 120.400 0.026 0.000 2.896 424 D HA 0.336 4.977 4.640 0.002 0.000 0.240 424 D C 0.414 176.724 176.300 0.016 0.000 1.193 424 D CA -0.417 53.618 54.000 0.058 0.000 0.983 424 D CB 0.253 41.122 40.800 0.114 0.000 1.074 424 D HN 0.510 nan 8.370 nan 0.000 0.496 425 V N -3.180 116.697 119.914 -0.061 0.000 3.182 425 V HA 0.559 4.680 4.120 0.002 0.000 0.308 425 V C -1.208 174.799 176.094 -0.144 0.000 1.240 425 V CA -1.207 60.993 62.300 -0.167 0.000 1.063 425 V CB 2.137 33.685 31.823 -0.459 0.000 1.076 425 V HN 0.164 nan 8.190 nan 0.000 0.446 426 Q N 0.651 120.334 119.800 -0.195 0.000 2.339 426 Q HA 0.412 4.753 4.340 0.002 0.000 0.268 426 Q C -1.716 174.195 176.000 -0.149 0.000 1.027 426 Q CA -0.496 55.254 55.803 -0.089 0.000 0.759 426 Q CB 1.393 30.113 28.738 -0.029 0.000 1.244 426 Q HN 0.800 nan 8.270 nan 0.000 0.464 427 W N 2.744 124.078 121.300 0.056 0.000 2.150 427 W HA 0.086 4.747 4.660 0.002 0.000 0.341 427 W C 1.154 177.749 176.519 0.127 0.000 1.276 427 W CA -0.424 56.983 57.345 0.104 0.000 1.238 427 W CB 0.325 29.853 29.460 0.114 0.000 1.128 427 W HN 0.720 nan 8.180 nan 0.000 0.581 428 F N 2.489 122.618 119.950 0.298 0.000 2.091 428 F HA -0.332 4.196 4.527 0.002 0.000 0.299 428 F C 2.171 178.083 175.800 0.186 0.000 1.103 428 F CA 2.425 60.544 58.000 0.199 0.000 1.228 428 F CB -0.207 38.913 39.000 0.199 0.000 0.984 428 F HN 0.379 nan 8.300 nan 0.000 0.477 429 D N -0.694 119.893 120.400 0.312 0.000 2.325 429 D HA 0.115 4.756 4.640 0.002 0.000 0.234 429 D C 1.536 177.902 176.300 0.109 0.000 1.122 429 D CA 0.640 54.733 54.000 0.155 0.000 0.850 429 D CB -0.860 40.080 40.800 0.234 0.000 0.921 429 D HN 0.458 nan 8.370 nan 0.000 0.513 430 G N 0.065 108.946 108.800 0.136 0.000 2.225 430 G HA2 -0.310 3.651 3.960 0.002 0.000 0.267 430 G HA3 -0.310 3.651 3.960 0.002 0.000 0.267 430 G C 0.349 175.334 174.900 0.142 0.000 1.024 430 G CA 0.452 45.627 45.100 0.126 0.000 0.784 430 G HN 0.436 nan 8.290 nan 0.000 0.507 431 S N -0.214 115.590 115.700 0.173 0.000 2.576 431 S HA 0.305 4.776 4.470 0.002 0.000 0.272 431 S C 0.476 175.144 174.600 0.112 0.000 1.352 431 S CA 0.032 58.269 58.200 0.061 0.000 1.021 431 S CB 0.969 64.114 63.200 -0.093 0.000 0.887 431 S HN 0.475 nan 8.310 nan 0.000 0.542 432 D N 1.441 121.868 120.400 0.045 0.000 2.358 432 D HA 0.193 4.834 4.640 0.002 0.000 0.258 432 D C -1.669 174.713 176.300 0.137 0.000 1.223 432 D CA -2.056 52.000 54.000 0.094 0.000 0.886 432 D CB 1.012 41.846 40.800 0.057 0.000 1.120 432 D HN 0.042 nan 8.370 nan 0.000 0.482 433 P HA -0.174 nan 4.420 nan 0.000 0.217 433 P C 1.202 178.682 177.300 0.300 0.000 1.148 433 P CA 1.047 64.361 63.100 0.358 0.000 0.828 433 P CB 0.302 32.197 31.700 0.323 0.000 0.783 434 Q N -0.195 119.759 119.800 0.257 0.000 2.119 434 Q HA -0.054 4.287 4.340 0.002 0.000 0.201 434 Q C 0.915 177.113 176.000 0.330 0.000 0.972 434 Q CA 1.254 57.255 55.803 0.331 0.000 0.847 434 Q CB -0.425 28.447 28.738 0.223 0.000 0.903 434 Q HN 0.432 nan 8.270 nan 0.000 0.433 438 N N 0.054 118.728 118.700 -0.044 0.000 2.251 438 N HA -0.088 4.654 4.740 0.002 0.000 0.181 438 N C 1.640 177.266 175.510 0.194 0.000 1.019 438 N CA 1.294 54.376 53.050 0.053 0.000 0.862 438 N CB -0.393 38.240 38.487 0.242 0.000 0.992 438 N HN 0.507 nan 8.380 nan 0.000 0.429 439 H N -0.613 118.535 119.070 0.130 0.000 2.518 439 H HA -0.132 4.426 4.556 0.002 0.000 0.289 439 H C 1.517 176.949 175.328 0.173 0.000 1.051 439 H CA 0.704 56.848 56.048 0.160 0.000 1.280 439 H CB 0.142 29.945 29.762 0.069 0.000 1.380 439 H HN 0.245 nan 8.280 nan 0.000 0.566 440 Y N 0.853 121.142 120.300 -0.019 0.000 2.224 440 Y HA -0.221 4.330 4.550 0.002 0.000 0.289 440 Y C 2.571 178.518 175.900 0.079 0.000 1.146 440 Y CA 1.574 59.655 58.100 -0.032 0.000 1.182 440 Y CB -0.374 38.058 38.460 -0.046 0.000 0.983 440 Y HN 0.250 nan 8.280 nan 0.000 0.524 441 A N -0.933 122.043 122.820 0.260 0.000 2.019 441 A HA -0.215 4.106 4.320 0.002 0.000 0.219 441 A C 2.022 179.688 177.584 0.138 0.000 1.164 441 A CA 1.558 53.761 52.037 0.277 0.000 0.644 441 A CB -1.284 17.878 19.000 0.270 0.000 0.805 441 A HN 0.738 nan 8.150 nan 0.000 0.449 442 Y N 0.349 120.607 120.300 -0.071 0.000 2.130 442 Y HA -0.126 4.425 4.550 0.002 0.000 0.287 442 Y C 2.052 177.809 175.900 -0.239 0.000 1.124 442 Y CA 1.449 59.483 58.100 -0.110 0.000 1.118 442 Y CB -0.140 38.166 38.460 -0.256 0.000 0.994 442 Y HN 0.195 nan 8.280 nan 0.000 0.497 443 I N 0.300 120.706 120.570 -0.273 0.000 2.118 443 I HA -0.347 3.825 4.170 0.002 0.000 0.241 443 I C 2.388 178.208 176.117 -0.495 0.000 1.070 443 I CA 1.881 62.970 61.300 -0.352 0.000 1.327 443 I CB -1.786 36.034 38.000 -0.300 0.000 1.034 443 I HN 0.412 nan 8.210 nan 0.000 0.405 444 Y N 2.676 122.598 120.300 -0.631 0.000 2.097 444 Y HA -0.246 4.305 4.550 0.002 0.000 0.282 444 Y C 2.416 177.979 175.900 -0.563 0.000 1.152 444 Y CA 1.790 59.479 58.100 -0.685 0.000 1.136 444 Y CB -0.922 37.318 38.460 -0.366 0.000 0.975 444 Y HN 0.235 nan 8.280 nan 0.000 0.498 445 N N 0.582 118.873 118.700 -0.682 0.000 2.244 445 N HA -0.183 4.559 4.740 0.002 0.000 0.183 445 N C 1.907 176.857 175.510 -0.934 0.000 1.016 445 N CA 1.355 53.958 53.050 -0.746 0.000 0.866 445 N CB -0.335 37.913 38.487 -0.398 0.000 0.980 445 N HN 0.637 nan 8.380 nan 0.000 0.430 446 E N 1.242 120.752 120.200 -1.149 0.000 2.077 446 E HA -0.147 4.204 4.350 0.002 0.000 0.193 446 E C 2.149 178.307 176.600 -0.737 0.000 0.989 446 E CA 0.556 56.123 56.400 -1.387 0.000 0.800 446 E CB -0.020 29.078 29.700 -1.003 0.000 0.746 446 E HN 0.262 nan 8.360 nan 0.000 0.452 447 L N 0.315 121.175 121.223 -0.605 0.000 2.046 447 L HA -0.155 4.186 4.340 0.002 0.000 0.208 447 L C 2.274 178.932 176.870 -0.354 0.000 1.077 447 L CA 1.021 55.589 54.840 -0.455 0.000 0.747 447 L CB -0.091 41.610 42.059 -0.596 0.000 0.896 447 L HN 0.053 nan 8.230 nan 0.000 0.432 448 V N -0.652 119.033 119.914 -0.382 0.000 2.358 448 V HA -0.295 3.826 4.120 0.002 0.000 0.246 448 V C 2.147 178.143 176.094 -0.163 0.000 1.047 448 V CA 2.064 64.202 62.300 -0.271 0.000 1.035 448 V CB -0.931 30.710 31.823 -0.304 0.000 0.658 448 V HN 0.721 nan 8.190 nan 0.000 0.452 449 W N 1.714 122.763 121.300 -0.418 0.000 2.335 449 W HA -0.219 4.442 4.660 0.002 0.000 0.311 449 W C 2.114 178.506 176.519 -0.211 0.000 1.213 449 W CA 2.166 59.324 57.345 -0.312 0.000 1.274 449 W CB -0.491 28.649 29.460 -0.534 0.000 1.148 449 W HN 0.396 nan 8.180 nan 0.000 0.498 450 N N -0.072 118.568 118.700 -0.100 0.000 2.166 450 N HA -0.180 4.561 4.740 0.002 0.000 0.186 450 N C 1.731 177.150 175.510 -0.151 0.000 1.019 450 N CA 1.519 54.508 53.050 -0.101 0.000 0.856 450 N CB -0.364 38.072 38.487 -0.085 0.000 0.993 450 N HN -0.109 nan 8.380 nan 0.000 0.426 451 V N 1.168 120.989 119.914 -0.155 0.000 2.343 451 V HA -0.192 3.930 4.120 0.002 0.000 0.247 451 V C 2.135 178.157 176.094 -0.120 0.000 1.051 451 V CA 1.298 63.523 62.300 -0.125 0.000 1.036 451 V CB -0.365 31.387 31.823 -0.118 0.000 0.654 451 V HN 0.268 nan 8.190 nan 0.000 0.451 452 L N -0.155 120.974 121.223 -0.157 0.000 2.046 452 L HA -0.153 4.188 4.340 0.002 0.000 0.208 452 L C 2.367 179.072 176.870 -0.276 0.000 1.077 452 L CA 1.862 56.577 54.840 -0.209 0.000 0.747 452 L CB -0.923 40.949 42.059 -0.312 0.000 0.896 452 L HN 0.275 nan 8.230 nan 0.000 0.432 453 K N -0.619 119.568 120.400 -0.354 0.000 2.057 453 K HA -0.160 4.161 4.320 0.002 0.000 0.207 453 K C 1.010 177.528 176.600 -0.137 0.000 1.049 453 K CA 1.503 57.630 56.287 -0.267 0.000 0.931 453 K CB 0.043 32.415 32.500 -0.213 0.000 0.714 453 K HN 0.270 nan 8.250 nan 0.000 0.440 454 D N -0.488 119.843 120.400 -0.116 0.000 2.349 454 D HA -0.040 4.601 4.640 0.002 0.000 0.224 454 D C 1.157 177.411 176.300 -0.076 0.000 1.029 454 D CA 0.767 54.720 54.000 -0.078 0.000 0.879 454 D CB 0.619 41.377 40.800 -0.069 0.000 0.906 454 D HN 0.452 nan 8.370 nan 0.000 0.528 455 T N -3.279 111.221 114.554 -0.090 0.000 3.429 455 T HA -0.015 4.336 4.350 0.002 0.000 0.212 455 T C 1.901 176.552 174.700 -0.081 0.000 0.980 455 T CA 0.550 62.601 62.100 -0.080 0.000 1.201 455 T CB -0.679 68.141 68.868 -0.079 0.000 1.289 455 T HN -0.082 nan 8.240 nan 0.000 0.346 456 V N 0.539 120.397 119.914 -0.094 0.000 2.913 456 V HA 0.519 4.640 4.120 0.002 0.000 0.260 456 V C 1.223 177.277 176.094 -0.067 0.000 1.098 456 V CA 0.652 62.902 62.300 -0.082 0.000 1.121 456 V CB -1.527 30.245 31.823 -0.085 0.000 0.714 456 V HN 1.507 nan 8.190 nan 0.000 0.487 457 G N -0.105 108.643 108.800 -0.085 0.000 2.742 457 G HA2 -0.119 3.842 3.960 0.002 0.000 0.686 457 G HA3 -0.119 3.842 3.960 0.002 0.000 0.686 457 G C -0.019 174.825 174.900 -0.092 0.000 1.220 457 G CA 0.141 45.201 45.100 -0.065 0.000 0.783 457 G HN 0.463 nan 8.290 nan 0.000 0.646 458 E N 0.357 120.520 120.200 -0.062 0.000 2.097 458 E HA -0.259 4.092 4.350 0.002 0.000 0.196 458 E C 2.314 178.905 176.600 -0.014 0.000 1.000 458 E CA 2.022 58.397 56.400 -0.043 0.000 0.804 458 E CB 0.019 29.748 29.700 0.047 0.000 0.740 458 E HN 0.650 nan 8.360 nan 0.000 0.454 459 E N 0.139 120.352 120.200 0.023 0.000 2.347 459 E HA -0.181 4.170 4.350 0.002 0.000 0.196 459 E C 1.178 177.808 176.600 0.050 0.000 1.008 459 E CA 0.854 57.289 56.400 0.059 0.000 0.852 459 E CB 0.013 29.756 29.700 0.072 0.000 0.783 459 E HN 0.342 nan 8.360 nan 0.000 0.505 460 E N 0.666 120.878 120.200 0.020 0.000 2.474 460 E HA 0.220 4.572 4.350 0.002 0.000 0.195 460 E C 0.077 176.662 176.600 -0.025 0.000 1.039 460 E CA 0.161 56.615 56.400 0.090 0.000 0.881 460 E CB 0.728 30.500 29.700 0.121 0.000 0.970 460 E HN 0.268 nan 8.360 nan 0.000 0.486 461 A N 1.534 124.210 122.820 -0.241 0.000 2.451 461 A HA 0.346 4.667 4.320 0.002 0.000 0.266 461 A C -0.061 177.264 177.584 -0.431 0.000 1.119 461 A CA 0.012 51.704 52.037 -0.575 0.000 0.786 461 A CB 0.483 18.685 19.000 -1.330 0.000 1.061 461 A HN 0.022 nan 8.150 nan 0.000 0.503 462 V N 4.264 124.062 119.914 -0.193 0.000 3.048 462 V HA 0.716 4.837 4.120 0.002 0.000 0.303 462 V C -1.032 175.155 176.094 0.155 0.000 1.214 462 V CA -0.542 61.795 62.300 0.061 0.000 0.984 462 V CB 2.060 33.862 31.823 -0.035 0.000 1.054 462 V HN 0.892 nan 8.190 nan 0.000 0.430 463 L N 4.119 125.483 121.223 0.235 0.000 2.322 463 L HA 0.650 4.992 4.340 0.002 0.000 0.252 463 L C -1.396 175.649 176.870 0.292 0.000 1.055 463 L CA -0.554 54.416 54.840 0.216 0.000 0.849 463 L CB 2.672 44.839 42.059 0.180 0.000 1.446 463 L HN 0.581 nan 8.230 nan 0.000 0.416 464 F N 1.019 120.884 119.950 -0.142 0.000 2.676 464 F HA 0.550 5.078 4.527 0.002 0.000 0.371 464 F C 0.032 175.725 175.800 -0.177 0.000 1.141 464 F CA -0.784 57.068 58.000 -0.248 0.000 1.133 464 F CB 1.576 40.340 39.000 -0.394 0.000 1.376 464 F HN 0.430 nan 8.300 nan 0.000 0.491 465 A N 3.554 126.316 122.820 -0.097 0.000 2.274 465 A HA 0.448 4.770 4.320 0.002 0.000 0.309 465 A C 0.906 178.486 177.584 -0.008 0.000 1.226 465 A CA -0.536 51.429 52.037 -0.120 0.000 0.853 465 A CB 1.050 19.876 19.000 -0.291 0.000 1.146 465 A HN 0.916 nan 8.150 nan 0.000 0.518 466 R N 1.488 122.010 120.500 0.036 0.000 2.127 466 R HA 0.077 4.418 4.340 0.002 0.000 0.217 466 R C 0.684 176.983 176.300 -0.001 0.000 1.074 466 R CA 1.076 57.162 56.100 -0.023 0.000 0.991 466 R CB 0.132 30.347 30.300 -0.142 0.000 0.895 466 R HN 0.645 nan 8.270 nan 0.000 0.450 467 S N -1.071 114.695 115.700 0.111 0.000 2.638 467 S HA 0.782 5.253 4.470 0.002 0.000 0.298 467 S C -1.269 173.483 174.600 0.252 0.000 1.111 467 S CA -0.414 57.904 58.200 0.195 0.000 1.027 467 S CB 1.842 65.187 63.200 0.242 0.000 1.064 467 S HN 0.351 nan 8.310 nan 0.000 0.525 468 A N 1.536 124.497 122.820 0.236 0.000 2.599 468 A HA 0.860 5.182 4.320 0.002 0.000 0.290 468 A C -0.744 176.988 177.584 0.247 0.000 1.101 468 A CA -0.570 51.635 52.037 0.281 0.000 0.674 468 A CB 1.449 20.544 19.000 0.158 0.000 1.277 468 A HN 0.879 nan 8.150 nan 0.000 0.419 469 S N -1.019 114.862 115.700 0.301 0.000 2.615 469 S HA 0.565 5.036 4.470 0.002 0.000 0.269 469 S C -0.968 173.720 174.600 0.148 0.000 1.161 469 S CA -0.275 58.072 58.200 0.245 0.000 0.817 469 S CB 1.271 64.646 63.200 0.291 0.000 1.131 469 S HN 1.509 nan 8.310 nan 0.000 0.467 470 V N 2.943 122.793 119.914 -0.106 0.000 2.625 470 V HA 0.349 4.471 4.120 0.002 0.000 0.305 470 V C 1.815 177.701 176.094 -0.346 0.000 1.055 470 V CA 2.135 64.199 62.300 -0.393 0.000 1.209 470 V CB -0.108 31.020 31.823 -1.157 0.000 0.877 470 V HN 1.579 nan 8.190 nan 0.000 0.489 471 G N 4.291 112.877 108.800 -0.358 0.000 2.258 471 G HA2 -0.222 3.739 3.960 0.002 0.000 0.233 471 G HA3 -0.222 3.739 3.960 0.002 0.000 0.233 471 G C 0.996 175.758 174.900 -0.229 0.000 1.006 471 G CA 0.282 45.193 45.100 -0.315 0.000 0.620 471 G HN 1.474 nan 8.290 nan 0.000 0.511 472 A N 0.271 123.066 122.820 -0.042 0.000 2.225 472 A HA 0.184 4.505 4.320 0.002 0.000 0.215 472 A C 2.111 179.468 177.584 -0.377 0.000 1.164 472 A CA 2.196 54.211 52.037 -0.036 0.000 0.710 472 A CB -0.341 18.891 19.000 0.386 0.000 0.780 472 A HN 0.646 nan 8.150 nan 0.000 0.473 473 Q N 0.353 119.636 119.800 -0.862 0.000 2.291 473 Q HA -0.100 4.241 4.340 0.002 0.000 0.206 473 Q C 1.592 177.204 176.000 -0.646 0.000 0.976 473 Q CA 1.536 56.747 55.803 -0.987 0.000 0.875 473 Q CB -0.367 27.713 28.738 -1.098 0.000 0.927 473 Q HN 0.676 nan 8.270 nan 0.000 0.450 474 K N -0.030 119.813 120.400 -0.928 0.000 2.442 474 K HA -0.037 4.284 4.320 0.002 0.000 0.198 474 K C -0.260 175.507 176.600 -1.389 0.000 1.042 474 K CA 0.560 56.194 56.287 -1.087 0.000 0.958 474 K CB 0.091 31.868 32.500 -1.205 0.000 0.766 474 K HN 0.250 nan 8.250 nan 0.000 0.474 475 F N 1.199 120.716 119.950 -0.722 0.000 2.438 475 F HA 0.283 4.811 4.527 0.002 0.000 0.315 475 F C -2.327 173.226 175.800 -0.411 0.000 1.258 475 F CA -2.846 54.529 58.000 -1.042 0.000 1.180 475 F CB 0.305 38.946 39.000 -0.598 0.000 1.412 475 F HN -0.312 nan 8.300 nan 0.000 0.544 476 P HA -0.166 nan 4.420 nan 0.000 0.267 476 P C -0.245 177.045 177.300 -0.017 0.000 1.158 476 P CA 0.684 63.791 63.100 0.012 0.000 0.756 476 P CB 0.431 32.083 31.700 -0.079 0.000 0.766 477 V N 1.144 121.061 119.914 0.006 0.000 3.592 477 V HA -0.201 3.921 4.120 0.002 0.000 0.448 477 V C -0.350 175.602 176.094 -0.238 0.000 0.679 477 V CA 0.524 62.714 62.300 -0.183 0.000 1.920 477 V CB -2.240 29.306 31.823 -0.462 0.000 2.362 477 V HN 0.676 nan 8.190 nan 0.000 0.492 478 H N 3.078 122.121 119.070 -0.046 0.000 2.488 478 H HA 0.519 5.076 4.556 0.002 0.000 0.322 478 H C -0.165 175.044 175.328 -0.198 0.000 1.078 478 H CA -0.151 55.875 56.048 -0.036 0.000 1.260 478 H CB 1.010 30.796 29.762 0.040 0.000 1.425 478 H HN 0.748 nan 8.280 nan 0.000 0.471 479 W N 4.125 125.185 121.300 -0.399 0.000 2.311 479 W HA 0.310 4.971 4.660 0.002 0.000 0.310 479 W C 1.199 177.517 176.519 -0.335 0.000 1.274 479 W CA -0.540 56.461 57.345 -0.573 0.000 1.215 479 W CB 0.778 29.897 29.460 -0.568 0.000 1.227 479 W HN 0.811 nan 8.180 nan 0.000 0.523 480 G N 3.818 111.975 108.800 -1.072 0.000 2.532 480 G HA2 0.205 4.166 3.960 0.002 0.000 0.222 480 G HA3 0.205 4.166 3.960 0.002 0.000 0.222 480 G C 0.771 175.228 174.900 -0.737 0.000 1.102 480 G CA 0.900 45.645 45.100 -0.592 0.000 0.742 480 G HN 1.449 nan 8.290 nan 0.000 0.577 481 G N -0.639 106.979 108.800 -1.970 0.000 2.549 481 G HA2 -0.049 3.912 3.960 0.002 0.000 0.404 481 G HA3 -0.049 3.912 3.960 0.002 0.000 0.404 481 G C -1.220 173.065 174.900 -1.025 0.000 1.292 481 G CA -0.257 43.878 45.100 -1.607 0.000 0.935 481 G HN 0.217 nan 8.290 nan 0.000 0.512 482 D N -0.250 119.939 120.400 -0.352 0.000 2.358 482 D HA 0.449 5.090 4.640 0.002 0.000 0.258 482 D C 0.024 176.361 176.300 0.062 0.000 1.223 482 D CA 0.383 54.360 54.000 -0.039 0.000 0.886 482 D CB 1.130 41.790 40.800 -0.233 0.000 1.120 482 D HN 0.683 nan 8.370 nan 0.000 0.482 483 C N 4.131 123.563 119.300 0.220 0.000 2.441 483 C HA 0.372 4.833 4.460 0.002 0.000 0.318 483 C C -0.399 174.606 174.990 0.026 0.000 1.222 483 C CA -0.755 58.348 59.018 0.142 0.000 1.474 483 C CB -0.296 27.571 27.740 0.211 0.000 2.125 483 C HN 0.485 nan 8.230 nan 0.000 0.479 484 Y N 2.352 122.741 120.300 0.148 0.000 2.385 484 Y HA 0.353 4.905 4.550 0.002 0.000 0.346 484 Y C 1.055 176.987 175.900 0.053 0.000 1.270 484 Y CA 0.529 58.604 58.100 -0.041 0.000 1.472 484 Y CB 0.578 39.075 38.460 0.062 0.000 1.354 484 Y HN 0.782 nan 8.280 nan 0.000 0.611 485 A N 3.120 126.043 122.820 0.171 0.000 3.095 485 A HA 0.446 4.767 4.320 0.002 0.000 0.301 485 A C -0.709 176.996 177.584 0.202 0.000 1.432 485 A CA -0.387 51.756 52.037 0.177 0.000 1.140 485 A CB -1.443 17.556 19.000 -0.001 0.000 1.174 485 A HN 0.805 nan 8.150 nan 0.000 0.546 486 N N -2.173 116.706 118.700 0.299 0.000 2.825 486 N HA 0.328 5.069 4.740 0.002 0.000 0.253 486 N C 0.081 175.697 175.510 0.177 0.000 1.426 486 N CA -0.855 52.271 53.050 0.126 0.000 0.851 486 N CB 0.387 38.945 38.487 0.117 0.000 1.470 486 N HN 0.029 nan 8.380 nan 0.000 0.517 487 Y N -0.546 119.901 120.300 0.245 0.000 2.224 487 Y HA -0.131 4.420 4.550 0.002 0.000 0.289 487 Y C 1.425 177.416 175.900 0.152 0.000 1.146 487 Y CA 1.113 59.352 58.100 0.233 0.000 1.182 487 Y CB 0.100 38.726 38.460 0.276 0.000 0.983 487 Y HN 0.610 nan 8.280 nan 0.000 0.524 488 E N 0.221 120.576 120.200 0.259 0.000 2.077 488 E HA -0.097 4.254 4.350 0.002 0.000 0.193 488 E C 1.214 177.892 176.600 0.129 0.000 0.989 488 E CA 0.770 57.249 56.400 0.133 0.000 0.800 488 E CB -0.231 29.536 29.700 0.111 0.000 0.746 488 E HN 0.121 nan 8.360 nan 0.000 0.452 492 E N 0.532 120.767 120.200 0.059 0.000 2.058 492 E HA -0.159 4.192 4.350 0.002 0.000 0.194 492 E C 2.064 178.850 176.600 0.311 0.000 0.997 492 E CA 1.496 57.996 56.400 0.167 0.000 0.801 492 E CB -0.122 29.693 29.700 0.191 0.000 0.746 492 E HN 0.539 nan 8.360 nan 0.000 0.450 493 S N 0.743 116.660 115.700 0.361 0.000 2.365 493 S HA -0.168 4.303 4.470 0.002 0.000 0.225 493 S C 1.949 176.766 174.600 0.361 0.000 1.039 493 S CA 0.889 59.408 58.200 0.531 0.000 1.033 493 S CB -0.254 63.334 63.200 0.646 0.000 0.887 493 S HN 0.259 nan 8.310 nan 0.000 0.447 494 L N 1.079 122.449 121.223 0.245 0.000 2.042 494 L HA -0.146 4.195 4.340 0.002 0.000 0.210 494 L C 2.777 179.517 176.870 -0.217 0.000 1.076 494 L CA 1.657 56.493 54.840 -0.008 0.000 0.749 494 L CB -0.440 41.544 42.059 -0.126 0.000 0.893 494 L HN 0.390 nan 8.230 nan 0.000 0.432 495 R N -0.678 119.752 120.500 -0.117 0.000 2.105 495 R HA -0.164 4.177 4.340 0.002 0.000 0.239 495 R C 2.173 178.292 176.300 -0.301 0.000 1.135 495 R CA 1.296 57.299 56.100 -0.162 0.000 0.967 495 R CB -0.734 29.520 30.300 -0.078 0.000 0.861 495 R HN 0.500 nan 8.270 nan 0.000 0.442 496 G N 0.354 108.964 108.800 -0.317 0.000 2.433 496 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 496 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 496 G C 1.536 175.963 174.900 -0.788 0.000 1.186 496 G CA 0.834 45.581 45.100 -0.589 0.000 0.779 496 G HN 0.449 nan 8.290 nan 0.000 0.543 497 G N 0.899 108.923 108.800 -1.294 0.000 2.491 497 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 497 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 497 G C 1.720 175.996 174.900 -1.039 0.000 1.180 497 G CA 1.046 44.822 45.100 -2.207 0.000 0.774 497 G HN 0.295 nan 8.290 nan 0.000 0.562 498 L N 1.227 122.032 121.223 -0.696 0.000 2.042 498 L HA -0.050 4.291 4.340 0.002 0.000 0.210 498 L C 3.154 179.827 176.870 -0.327 0.000 1.076 498 L CA 1.812 56.410 54.840 -0.403 0.000 0.749 498 L CB -0.987 40.911 42.059 -0.269 0.000 0.893 498 L HN 0.196 nan 8.230 nan 0.000 0.432 499 S N -0.777 114.711 115.700 -0.353 0.000 2.368 499 S HA -0.136 4.335 4.470 0.002 0.000 0.225 499 S C 2.044 176.484 174.600 -0.267 0.000 1.030 499 S CA 1.186 59.222 58.200 -0.274 0.000 0.999 499 S CB -0.314 62.699 63.200 -0.310 0.000 0.844 499 S HN 0.406 nan 8.310 nan 0.000 0.459 500 I N 1.330 121.676 120.570 -0.373 0.000 2.394 500 I HA -0.130 4.041 4.170 0.002 0.000 0.251 500 I C 2.228 178.271 176.117 -0.122 0.000 1.136 500 I CA 1.024 62.133 61.300 -0.319 0.000 1.425 500 I CB -0.475 37.257 38.000 -0.447 0.000 1.079 500 I HN 0.381 nan 8.210 nan 0.000 0.425 501 G N 0.657 109.351 108.800 -0.177 0.000 2.408 501 G HA2 -0.183 3.778 3.960 0.002 0.000 0.217 501 G HA3 -0.183 3.778 3.960 0.002 0.000 0.217 501 G C 1.500 176.355 174.900 -0.075 0.000 1.150 501 G CA 0.281 45.315 45.100 -0.109 0.000 0.776 501 G HN 0.381 nan 8.290 nan 0.000 0.542 502 L N 1.183 122.350 121.223 -0.093 0.000 2.622 502 L HA 0.103 4.444 4.340 0.002 0.000 0.233 502 L C 1.765 178.660 176.870 0.042 0.000 1.156 502 L CA 0.384 55.192 54.840 -0.054 0.000 0.866 502 L CB 0.345 42.357 42.059 -0.078 0.000 0.980 502 L HN 0.080 nan 8.230 nan 0.000 0.448 503 S N -0.783 114.946 115.700 0.048 0.000 2.593 503 S HA 0.369 4.841 4.470 0.002 0.000 0.236 503 S C 1.310 175.964 174.600 0.090 0.000 0.991 503 S CA 0.426 58.696 58.200 0.116 0.000 0.963 503 S CB 1.013 64.279 63.200 0.109 0.000 0.865 503 S HN 0.541 nan 8.310 nan 0.000 0.488 504 G N 1.231 110.054 108.800 0.038 0.000 2.195 504 G HA2 -0.215 3.746 3.960 0.002 0.000 0.224 504 G HA3 -0.215 3.746 3.960 0.002 0.000 0.224 504 G C -0.186 174.582 174.900 -0.221 0.000 0.990 504 G CA -0.657 44.424 45.100 -0.033 0.000 0.639 504 G HN 0.400 nan 8.290 nan 0.000 0.514 505 F N 1.558 121.407 119.950 -0.168 0.000 2.411 505 F HA 0.590 5.118 4.527 0.002 0.000 0.355 505 F C 1.571 177.256 175.800 -0.191 0.000 1.117 505 F CA 0.133 58.021 58.000 -0.185 0.000 1.139 505 F CB 1.735 40.601 39.000 -0.223 0.000 1.120 505 F HN 0.014 nan 8.300 nan 0.000 0.493 506 G N 2.901 111.613 108.800 -0.146 0.000 2.623 506 G HA2 0.066 4.028 3.960 0.002 0.000 0.214 506 G HA3 0.066 4.028 3.960 0.002 0.000 0.214 506 G C -0.135 174.261 174.900 -0.839 0.000 1.138 506 G CA 0.335 45.128 45.100 -0.511 0.000 0.794 506 G HN 0.372 nan 8.290 nan 0.000 0.535 507 F N -2.338 117.693 119.950 0.136 0.000 2.576 507 F HA 0.668 5.196 4.527 0.002 0.000 0.313 507 F C -1.016 174.921 175.800 0.228 0.000 1.078 507 F CA -1.547 56.546 58.000 0.155 0.000 0.921 507 F CB 2.002 41.032 39.000 0.050 0.000 1.232 507 F HN 0.009 nan 8.300 nan 0.000 0.459 508 W N 2.199 123.571 121.300 0.120 0.000 3.439 508 W HA 0.617 5.278 4.660 0.002 0.000 0.323 508 W C -1.493 175.000 176.519 -0.043 0.000 1.174 508 W CA -0.897 56.439 57.345 -0.015 0.000 1.224 508 W CB 1.787 31.200 29.460 -0.078 0.000 1.348 508 W HN 0.617 nan 8.180 nan 0.000 0.498 509 S N 3.422 118.649 115.700 -0.788 0.000 2.648 509 S HA 0.925 5.396 4.470 0.002 0.000 0.305 509 S C -0.961 172.964 174.600 -1.126 0.000 1.094 509 S CA -0.614 57.100 58.200 -0.808 0.000 0.983 509 S CB 2.144 64.735 63.200 -1.015 0.000 1.101 509 S HN 0.792 nan 8.310 nan 0.000 0.514 510 H N -1.927 116.568 119.070 -0.959 0.000 3.014 510 H HA 0.623 5.180 4.556 0.002 0.000 0.337 510 H C -2.139 173.020 175.328 -0.282 0.000 1.320 510 H CA -1.095 54.485 56.048 -0.779 0.000 1.128 510 H CB 0.619 29.819 29.762 -0.936 0.000 1.862 510 H HN 0.416 nan 8.280 nan 0.000 0.536 511 D N 1.574 121.904 120.400 -0.117 0.000 2.280 511 D HA 0.211 4.852 4.640 0.002 0.000 0.243 511 D C 0.212 176.199 176.300 -0.522 0.000 1.129 511 D CA -0.333 53.559 54.000 -0.181 0.000 0.848 511 D CB 1.095 41.864 40.800 -0.051 0.000 1.107 511 D HN 0.408 nan 8.370 nan 0.000 0.471 512 I N 2.992 123.245 120.570 -0.529 0.000 2.680 512 I HA 0.202 4.373 4.170 0.002 0.000 0.286 512 I C 1.431 177.017 176.117 -0.885 0.000 1.144 512 I CA 0.545 61.389 61.300 -0.760 0.000 1.370 512 I CB -0.688 37.079 38.000 -0.389 0.000 1.420 512 I HN 0.508 nan 8.210 nan 0.000 0.540 513 G N 4.362 112.098 108.800 -1.773 0.000 2.610 513 G HA2 -0.024 3.937 3.960 0.002 0.000 0.304 513 G HA3 -0.024 3.937 3.960 0.002 0.000 0.304 513 G C -0.017 174.239 174.900 -1.074 0.000 1.309 513 G CA -0.583 43.866 45.100 -1.085 0.000 0.906 513 G HN 0.869 nan 8.290 nan 0.000 0.521 514 G N -1.274 107.199 108.800 -0.545 0.000 2.489 514 G HA2 0.627 4.588 3.960 0.002 0.000 0.271 514 G HA3 0.627 4.588 3.960 0.002 0.000 0.271 514 G C 0.695 175.322 174.900 -0.455 0.000 1.427 514 G CA 0.355 45.175 45.100 -0.467 0.000 1.057 514 G HN 1.571 nan 8.290 nan 0.000 0.532 515 F N -1.431 118.411 119.950 -0.179 0.000 2.713 515 F HA 0.635 5.163 4.527 0.002 0.000 0.294 515 F C 0.163 176.036 175.800 0.121 0.000 1.152 515 F CA -1.063 56.858 58.000 -0.132 0.000 1.385 515 F CB 0.073 39.052 39.000 -0.035 0.000 0.981 515 F HN 0.175 nan 8.300 nan 0.000 0.514 516 E N 1.591 121.854 120.200 0.106 0.000 3.745 516 E HA 0.042 4.393 4.350 0.002 0.000 0.349 516 E C -1.498 175.143 176.600 0.068 0.000 1.106 516 E CA -0.838 55.706 56.400 0.239 0.000 0.879 516 E CB 0.152 30.009 29.700 0.262 0.000 1.186 516 E HN 0.464 nan 8.360 nan 0.000 0.519 517 N N 0.958 119.719 118.700 0.102 0.000 2.411 517 N HA 0.166 4.907 4.740 0.002 0.000 0.261 517 N C 0.338 175.852 175.510 0.006 0.000 1.248 517 N CA 1.082 54.146 53.050 0.023 0.000 0.885 517 N CB 0.533 39.014 38.487 -0.011 0.000 1.062 517 N HN 0.463 nan 8.380 nan 0.000 0.471 518 T N -2.966 111.581 114.554 -0.013 0.000 3.824 518 T HA 0.324 4.675 4.350 0.002 0.000 0.308 518 T C -0.190 174.502 174.700 -0.013 0.000 0.879 518 T CA -0.158 61.941 62.100 -0.002 0.000 0.882 518 T CB -0.807 68.068 68.868 0.012 0.000 1.185 518 T HN 0.747 nan 8.240 nan 0.000 0.730 519 A N 2.480 125.283 122.820 -0.028 0.000 2.276 519 A HA 0.818 5.139 4.320 0.002 0.000 0.316 519 A C -2.590 174.935 177.584 -0.097 0.000 1.229 519 A CA -1.614 50.394 52.037 -0.049 0.000 0.851 519 A CB 0.240 19.240 19.000 0.000 0.000 1.165 519 A HN 0.199 nan 8.150 nan 0.000 0.513 520 P HA 0.123 nan 4.420 nan 0.000 0.270 520 P C 1.143 178.317 177.300 -0.210 0.000 1.221 520 P CA 0.600 63.588 63.100 -0.187 0.000 0.788 520 P CB 0.600 32.157 31.700 -0.238 0.000 0.904 521 A N 1.533 124.291 122.820 -0.102 0.000 1.940 521 A HA -0.261 4.060 4.320 0.002 0.000 0.219 521 A C 1.961 179.522 177.584 -0.038 0.000 1.176 521 A CA 2.319 54.322 52.037 -0.056 0.000 0.631 521 A CB -1.840 17.125 19.000 -0.057 0.000 0.814 521 A HN 0.861 nan 8.150 nan 0.000 0.446 522 H N -1.307 117.774 119.070 0.018 0.000 2.319 522 H HA -0.073 4.484 4.556 0.002 0.000 0.299 522 H C 1.624 177.142 175.328 0.318 0.000 1.092 522 H CA 1.640 57.750 56.048 0.103 0.000 1.302 522 H CB -1.073 28.936 29.762 0.411 0.000 1.373 522 H HN 0.088 nan 8.280 nan 0.000 0.497 523 V N 0.569 120.342 119.914 -0.235 0.000 2.287 523 V HA -0.319 3.802 4.120 0.002 0.000 0.248 523 V C 2.393 178.670 176.094 0.304 0.000 1.053 523 V CA 2.236 64.481 62.300 -0.093 0.000 1.027 523 V CB -0.946 30.633 31.823 -0.407 0.000 0.646 523 V HN 0.522 nan 8.190 nan 0.000 0.447 524 Y N 1.111 121.469 120.300 0.098 0.000 2.181 524 Y HA -0.228 4.323 4.550 0.002 0.000 0.288 524 Y C 2.520 178.554 175.900 0.224 0.000 1.146 524 Y CA 1.895 60.092 58.100 0.161 0.000 1.164 524 Y CB -0.147 38.333 38.460 0.033 0.000 0.982 524 Y HN 0.162 nan 8.280 nan 0.000 0.515 525 K N -0.380 120.184 120.400 0.273 0.000 2.097 525 K HA -0.138 4.183 4.320 0.002 0.000 0.205 525 K C 2.056 178.842 176.600 0.310 0.000 1.050 525 K CA 1.080 57.493 56.287 0.211 0.000 0.938 525 K CB -0.099 32.398 32.500 -0.006 0.000 0.718 525 K HN 0.200 nan 8.250 nan 0.000 0.442 526 R N 0.295 121.051 120.500 0.426 0.000 2.115 526 R HA -0.103 4.238 4.340 0.002 0.000 0.230 526 R C 1.883 178.343 176.300 0.267 0.000 1.111 526 R CA 0.799 57.122 56.100 0.372 0.000 0.976 526 R CB -0.523 30.058 30.300 0.467 0.000 0.870 526 R HN 0.441 nan 8.270 nan 0.000 0.445 527 W N 0.919 122.303 121.300 0.140 0.000 2.402 527 W HA -0.148 4.514 4.660 0.002 0.000 0.286 527 W C 1.909 178.419 176.519 -0.016 0.000 1.221 527 W CA 0.225 57.644 57.345 0.123 0.000 1.257 527 W CB -0.484 29.008 29.460 0.053 0.000 1.120 527 W HN 0.048 nan 8.180 nan 0.000 0.551 528 C N 0.210 119.582 119.300 0.120 0.000 2.413 528 C HA -0.173 4.288 4.460 0.002 0.000 0.276 528 C C 3.088 178.043 174.990 -0.058 0.000 1.236 528 C CA 1.852 60.867 59.018 -0.006 0.000 1.735 528 C CB -1.536 26.209 27.740 0.008 0.000 2.031 528 C HN 0.365 nan 8.230 nan 0.000 0.474 529 A N -0.392 122.274 122.820 -0.255 0.000 1.902 529 A HA -0.210 4.111 4.320 0.002 0.000 0.217 529 A C 2.061 179.574 177.584 -0.118 0.000 1.181 529 A CA 1.812 53.400 52.037 -0.749 0.000 0.623 529 A CB -0.957 17.543 19.000 -0.832 0.000 0.818 529 A HN 0.668 nan 8.150 nan 0.000 0.443 530 F N 0.718 120.631 119.950 -0.061 0.000 2.102 530 F HA -0.098 4.431 4.527 0.002 0.000 0.298 530 F C 2.315 178.286 175.800 0.285 0.000 1.105 530 F CA 1.113 59.197 58.000 0.140 0.000 1.239 530 F CB -0.323 38.741 39.000 0.106 0.000 0.991 530 F HN 0.295 nan 8.300 nan 0.000 0.474 531 G N 1.271 110.115 108.800 0.073 0.000 2.480 531 G HA2 -0.243 3.718 3.960 0.002 0.000 0.216 531 G HA3 -0.243 3.718 3.960 0.002 0.000 0.216 531 G C 1.412 176.306 174.900 -0.009 0.000 1.200 531 G CA 0.796 45.778 45.100 -0.196 0.000 0.782 531 G HN 0.286 nan 8.290 nan 0.000 0.554 532 L N 0.265 121.534 121.223 0.077 0.000 2.275 532 L HA 0.151 4.492 4.340 0.002 0.000 0.215 532 L C 1.989 178.991 176.870 0.220 0.000 1.119 532 L CA 0.851 55.787 54.840 0.161 0.000 0.790 532 L CB -0.846 41.353 42.059 0.233 0.000 0.919 532 L HN 0.225 nan 8.230 nan 0.000 0.443 533 L N -0.644 120.735 121.223 0.260 0.000 3.001 533 L HA 0.145 4.486 4.340 0.002 0.000 0.234 533 L C 0.160 177.298 176.870 0.447 0.000 1.321 533 L CA -0.081 54.969 54.840 0.351 0.000 1.138 533 L CB -0.183 42.091 42.059 0.357 0.000 1.503 533 L HN 0.058 nan 8.230 nan 0.000 0.487 534 S N -1.868 114.034 115.700 0.337 0.000 2.632 534 S HA 0.246 4.717 4.470 0.002 0.000 0.289 534 S C 0.945 175.691 174.600 0.243 0.000 1.115 534 S CA -0.276 58.120 58.200 0.327 0.000 0.889 534 S CB 2.034 65.444 63.200 0.350 0.000 1.116 534 S HN 0.353 nan 8.310 nan 0.000 0.486 535 S N 0.920 116.770 115.700 0.250 0.000 2.353 535 S HA -0.120 4.351 4.470 0.002 0.000 0.222 535 S C 0.192 174.648 174.600 -0.240 0.000 1.035 535 S CA 1.289 59.599 58.200 0.184 0.000 1.025 535 S CB -0.561 62.891 63.200 0.420 0.000 0.902 535 S HN 0.774 nan 8.310 nan 0.000 0.440 536 H N 0.347 119.370 119.070 -0.078 0.000 2.637 536 H HA 0.737 5.294 4.556 0.002 0.000 0.363 536 H C -0.862 174.332 175.328 -0.223 0.000 1.131 536 H CA -0.160 55.762 56.048 -0.210 0.000 1.183 536 H CB 2.150 31.682 29.762 -0.384 0.000 1.637 536 H HN 0.429 nan 8.280 nan 0.000 0.531 537 S N 1.954 117.597 115.700 -0.096 0.000 2.572 537 S HA 0.528 5.000 4.470 0.002 0.000 0.274 537 S C -0.867 173.712 174.600 -0.035 0.000 1.150 537 S CA -1.143 56.957 58.200 -0.168 0.000 0.944 537 S CB 2.188 65.317 63.200 -0.118 0.000 1.071 537 S HN 0.649 nan 8.310 nan 0.000 0.479 538 R N 2.593 123.051 120.500 -0.069 0.000 2.387 538 R HA 0.521 4.862 4.340 0.002 0.000 0.314 538 R C 0.644 176.993 176.300 0.081 0.000 0.958 538 R CA -0.822 55.349 56.100 0.118 0.000 0.846 538 R CB 1.013 31.403 30.300 0.149 0.000 1.147 538 R HN 0.863 nan 8.270 nan 0.000 0.447 539 L N 2.677 124.005 121.223 0.175 0.000 1.886 539 L HA -0.086 4.255 4.340 0.002 0.000 0.226 539 L C 0.662 177.671 176.870 0.232 0.000 1.091 539 L CA 1.551 56.495 54.840 0.173 0.000 0.799 539 L CB -0.247 41.959 42.059 0.245 0.000 0.889 539 L HN 0.868 nan 8.230 nan 0.000 0.429 554 E N 1.290 121.531 120.200 0.067 0.000 2.333 554 E HA -0.095 4.256 4.350 0.002 0.000 0.198 554 E C 1.081 177.753 176.600 0.121 0.000 1.007 554 E CA 1.360 57.818 56.400 0.098 0.000 0.845 554 E CB 0.016 29.782 29.700 0.110 0.000 0.766 554 E HN 0.232 nan 8.360 nan 0.000 0.507 555 S N -0.089 115.676 115.700 0.108 0.000 2.359 555 S HA -0.218 4.253 4.470 0.002 0.000 0.224 555 S C 2.036 176.761 174.600 0.208 0.000 1.035 555 S CA 1.255 59.566 58.200 0.184 0.000 1.018 555 S CB -0.427 62.871 63.200 0.164 0.000 0.876 555 S HN 0.497 nan 8.310 nan 0.000 0.448 556 C N 1.771 121.158 119.300 0.146 0.000 2.425 556 C HA -0.063 4.398 4.460 0.002 0.000 0.277 556 C C 2.427 177.506 174.990 0.149 0.000 1.280 556 C CA 0.426 59.524 59.018 0.132 0.000 1.744 556 C CB -1.332 26.454 27.740 0.077 0.000 1.989 556 C HN 0.545 nan 8.230 nan 0.000 0.491 557 D N 0.775 121.261 120.400 0.144 0.000 2.097 557 D HA -0.108 4.534 4.640 0.002 0.000 0.195 557 D C 2.163 178.597 176.300 0.222 0.000 0.989 557 D CA 1.121 55.214 54.000 0.155 0.000 0.827 557 D CB -0.559 40.320 40.800 0.130 0.000 0.966 557 D HN 0.285 nan 8.370 nan 0.000 0.456 558 V N 0.594 120.667 119.914 0.265 0.000 2.261 558 V HA -0.211 3.910 4.120 0.002 0.000 0.246 558 V C 2.663 179.027 176.094 0.451 0.000 1.047 558 V CA 1.121 63.661 62.300 0.400 0.000 1.015 558 V CB -0.621 31.444 31.823 0.404 0.000 0.642 558 V HN 0.060 nan 8.190 nan 0.000 0.446 559 V N 0.046 120.158 119.914 0.330 0.000 2.287 559 V HA -0.321 3.800 4.120 0.002 0.000 0.248 559 V C 2.582 178.828 176.094 0.253 0.000 1.053 559 V CA 2.616 65.090 62.300 0.290 0.000 1.027 559 V CB -0.800 31.165 31.823 0.237 0.000 0.646 559 V HN 0.497 nan 8.190 nan 0.000 0.447 560 R N -0.752 119.867 120.500 0.198 0.000 2.083 560 R HA -0.215 4.126 4.340 0.002 0.000 0.237 560 R C 2.264 178.612 176.300 0.080 0.000 1.137 560 R CA 2.205 58.381 56.100 0.127 0.000 0.951 560 R CB -0.491 29.872 30.300 0.104 0.000 0.851 560 R HN 0.461 nan 8.270 nan 0.000 0.434 561 F N 0.288 120.216 119.950 -0.037 0.000 2.046 561 F HA -0.204 4.324 4.527 0.002 0.000 0.297 561 F C 1.620 177.234 175.800 -0.310 0.000 1.123 561 F CA 1.801 59.659 58.000 -0.237 0.000 1.199 561 F CB -0.445 38.321 39.000 -0.390 0.000 0.972 561 F HN -0.005 nan 8.300 nan 0.000 0.474 562 F N -0.202 119.803 119.950 0.092 0.000 2.325 562 F HA -0.122 4.406 4.527 0.002 0.000 0.299 562 F C 2.397 178.185 175.800 -0.019 0.000 1.090 562 F CA 1.438 59.444 58.000 0.010 0.000 1.392 562 F CB -0.908 38.212 39.000 0.200 0.000 1.053 562 F HN -0.104 nan 8.300 nan 0.000 0.521 563 T N -0.807 113.849 114.554 0.171 0.000 2.857 563 T HA -0.165 4.186 4.350 0.002 0.000 0.266 563 T C 1.877 176.619 174.700 0.072 0.000 1.048 563 T CA 1.085 63.284 62.100 0.165 0.000 1.139 563 T CB -0.226 68.760 68.868 0.197 0.000 0.874 563 T HN 0.294 nan 8.240 nan 0.000 0.455 564 Q N 0.274 120.041 119.800 -0.054 0.000 2.084 564 Q HA -0.059 4.282 4.340 0.002 0.000 0.202 564 Q C 2.333 178.223 176.000 -0.183 0.000 0.978 564 Q CA 1.066 56.795 55.803 -0.124 0.000 0.844 564 Q CB -0.348 28.252 28.738 -0.230 0.000 0.898 564 Q HN 0.324 nan 8.270 nan 0.000 0.426 565 L N 1.331 122.350 121.223 -0.339 0.000 2.017 565 L HA -0.207 4.134 4.340 0.002 0.000 0.208 565 L C 2.233 179.064 176.870 -0.063 0.000 1.073 565 L CA 1.935 56.581 54.840 -0.324 0.000 0.745 565 L CB -0.420 41.342 42.059 -0.494 0.000 0.894 565 L HN 0.017 nan 8.230 nan 0.000 0.432 566 K N -1.173 119.254 120.400 0.044 0.000 2.057 566 K HA -0.195 4.126 4.320 0.002 0.000 0.207 566 K C 2.107 178.782 176.600 0.126 0.000 1.049 566 K CA 1.883 58.245 56.287 0.125 0.000 0.931 566 K CB -0.381 32.225 32.500 0.177 0.000 0.714 566 K HN 0.537 nan 8.250 nan 0.000 0.440 567 C N 0.977 120.357 119.300 0.133 0.000 2.422 567 C HA 0.003 4.464 4.460 0.002 0.000 0.279 567 C C 1.603 176.740 174.990 0.245 0.000 1.305 567 C CA 0.068 59.212 59.018 0.211 0.000 1.757 567 C CB -0.950 26.921 27.740 0.219 0.000 1.962 567 C HN 0.420 nan 8.230 nan 0.000 0.499 572 Y N 0.591 120.741 120.300 -0.250 0.000 2.201 572 Y HA 0.028 4.580 4.550 0.002 0.000 0.292 572 Y C 1.826 177.641 175.900 -0.142 0.000 1.119 572 Y CA 0.832 58.854 58.100 -0.130 0.000 1.127 572 Y CB -0.372 38.059 38.460 -0.047 0.000 1.019 572 Y HN -0.226 nan 8.280 nan 0.000 0.514 573 L N 0.110 121.195 121.223 -0.229 0.000 1.990 573 L HA -0.284 4.057 4.340 0.002 0.000 0.213 573 L C 2.306 178.967 176.870 -0.349 0.000 1.072 573 L CA 1.974 56.652 54.840 -0.271 0.000 0.755 573 L CB -1.833 40.195 42.059 -0.051 0.000 0.889 573 L HN 0.413 nan 8.230 nan 0.000 0.432 574 Y N 0.025 119.968 120.300 -0.594 0.000 2.333 574 Y HA -0.274 4.278 4.550 0.002 0.000 0.290 574 Y C 2.781 178.461 175.900 -0.366 0.000 1.144 574 Y CA 1.717 59.452 58.100 -0.608 0.000 1.228 574 Y CB -0.113 37.853 38.460 -0.823 0.000 0.985 574 Y HN 0.145 nan 8.280 nan 0.000 0.542 575 R N 0.700 121.020 120.500 -0.300 0.000 2.075 575 R HA -0.110 4.231 4.340 0.002 0.000 0.232 575 R C 1.863 178.011 176.300 -0.253 0.000 1.126 575 R CA 1.870 57.839 56.100 -0.219 0.000 0.963 575 R CB -0.413 29.787 30.300 -0.166 0.000 0.858 575 R HN 0.178 nan 8.270 nan 0.000 0.435 576 E N 0.410 120.402 120.200 -0.347 0.000 2.150 576 E HA -0.089 4.262 4.350 0.002 0.000 0.193 576 E C 1.891 178.378 176.600 -0.189 0.000 0.985 576 E CA 1.292 57.515 56.400 -0.294 0.000 0.814 576 E CB -0.420 29.035 29.700 -0.409 0.000 0.752 576 E HN 0.467 nan 8.360 nan 0.000 0.466 577 A N 1.520 124.232 122.820 -0.181 0.000 1.933 577 A HA -0.089 4.232 4.320 0.002 0.000 0.218 577 A C 2.386 179.959 177.584 -0.018 0.000 1.175 577 A CA 1.923 53.972 52.037 0.019 0.000 0.628 577 A CB -0.469 18.484 19.000 -0.079 0.000 0.814 577 A HN 0.259 nan 8.150 nan 0.000 0.444 578 A N -0.053 122.653 122.820 -0.190 0.000 2.066 578 A HA -0.091 4.231 4.320 0.002 0.000 0.218 578 A C 2.141 179.686 177.584 -0.065 0.000 1.157 578 A CA 1.115 53.084 52.037 -0.114 0.000 0.670 578 A CB -0.399 18.528 19.000 -0.121 0.000 0.804 578 A HN 0.606 nan 8.150 nan 0.000 0.453 579 R N -0.186 120.259 120.500 -0.091 0.000 2.115 579 R HA -0.001 4.340 4.340 0.002 0.000 0.230 579 R C 2.352 178.597 176.300 -0.092 0.000 1.111 579 R CA 1.073 57.120 56.100 -0.089 0.000 0.976 579 R CB -0.484 29.753 30.300 -0.105 0.000 0.870 579 R HN 0.451 nan 8.270 nan 0.000 0.445 580 A N 2.089 124.843 122.820 -0.110 0.000 1.902 580 A HA -0.213 4.108 4.320 0.002 0.000 0.217 580 A C 2.061 179.605 177.584 -0.067 0.000 1.181 580 A CA 1.531 53.471 52.037 -0.162 0.000 0.623 580 A CB -0.754 18.006 19.000 -0.400 0.000 0.818 580 A HN 0.428 nan 8.150 nan 0.000 0.443 581 N N 0.152 118.869 118.700 0.029 0.000 2.142 581 N HA -0.117 4.625 4.740 0.002 0.000 0.186 581 N C 1.887 177.382 175.510 -0.026 0.000 1.023 581 N CA 1.425 54.494 53.050 0.031 0.000 0.852 581 N CB -0.173 38.351 38.487 0.061 0.000 0.998 581 N HN 0.377 nan 8.380 nan 0.000 0.424 582 A N 0.831 123.629 122.820 -0.035 0.000 1.855 582 A HA 0.067 4.388 4.320 0.002 0.000 0.213 582 A C 2.059 179.607 177.584 -0.060 0.000 1.195 582 A CA 0.937 52.948 52.037 -0.044 0.000 0.610 582 A CB -0.168 18.809 19.000 -0.038 0.000 0.837 582 A HN 0.232 nan 8.150 nan 0.000 0.444 583 R N -1.810 118.648 120.500 -0.071 0.000 2.397 583 R HA 0.305 4.647 4.340 0.002 0.000 0.241 583 R C 0.942 177.187 176.300 -0.093 0.000 0.914 583 R CA 0.766 56.820 56.100 -0.076 0.000 1.071 583 R CB 0.485 30.743 30.300 -0.070 0.000 1.116 583 R HN 0.752 nan 8.270 nan 0.000 0.524 584 G N 0.449 109.182 108.800 -0.111 0.000 2.160 584 G HA2 -0.271 3.690 3.960 0.002 0.000 0.251 584 G HA3 -0.271 3.690 3.960 0.002 0.000 0.251 584 G C -0.091 174.725 174.900 -0.139 0.000 1.008 584 G CA 0.574 45.592 45.100 -0.137 0.000 0.724 584 G HN 0.271 nan 8.290 nan 0.000 0.514 585 T N 3.678 118.149 114.554 -0.138 0.000 2.739 585 T HA 0.487 4.838 4.350 0.002 0.000 0.298 585 T C -1.073 173.514 174.700 -0.188 0.000 0.929 585 T CA -0.409 61.608 62.100 -0.139 0.000 1.014 585 T CB 1.919 70.717 68.868 -0.116 0.000 0.914 585 T HN 0.356 nan 8.240 nan 0.000 0.509 595 F N 0.589 120.542 119.950 0.005 0.000 2.794 595 F HA 0.409 4.938 4.527 0.002 0.000 0.353 595 F C -2.041 173.754 175.800 -0.008 0.000 1.371 595 F CA -1.541 56.475 58.000 0.026 0.000 1.173 595 F CB 1.601 40.645 39.000 0.074 0.000 1.693 595 F HN -0.106 nan 8.300 nan 0.000 0.606 596 P HA -0.126 nan 4.420 nan 0.000 0.216 596 P C 0.554 177.886 177.300 0.054 0.000 1.150 596 P CA 1.481 64.597 63.100 0.025 0.000 0.837 596 P CB 0.267 31.962 31.700 -0.009 0.000 0.786 597 D N -1.819 118.632 120.400 0.086 0.000 2.347 597 D HA -0.047 4.595 4.640 0.002 0.000 0.213 597 D C 0.446 176.799 176.300 0.088 0.000 0.985 597 D CA 0.581 54.629 54.000 0.081 0.000 0.879 597 D CB -0.522 40.329 40.800 0.084 0.000 0.919 597 D HN 0.142 nan 8.370 nan 0.000 0.526 598 D N 0.212 120.682 120.400 0.117 0.000 2.339 598 D HA 0.085 4.726 4.640 0.002 0.000 0.241 598 D C -1.680 174.629 176.300 0.015 0.000 1.183 598 D CA -2.283 51.767 54.000 0.082 0.000 0.859 598 D CB 1.543 42.412 40.800 0.114 0.000 1.067 598 D HN -0.085 nan 8.370 nan 0.000 0.484 599 P HA -0.010 nan 4.420 nan 0.000 0.226 599 P C 0.751 178.017 177.300 -0.057 0.000 1.153 599 P CA 0.538 63.635 63.100 -0.006 0.000 0.777 599 P CB 0.279 31.989 31.700 0.017 0.000 0.794 600 A N -1.433 121.280 122.820 -0.178 0.000 2.167 600 A HA -0.074 4.248 4.320 0.002 0.000 0.214 600 A C 1.837 179.139 177.584 -0.470 0.000 1.151 600 A CA 0.902 52.691 52.037 -0.413 0.000 0.735 600 A CB -1.357 17.094 19.000 -0.915 0.000 0.802 600 A HN 0.246 nan 8.150 nan 0.000 0.467 601 C N -0.350 118.786 119.300 -0.273 0.000 2.906 601 C HA 0.109 4.570 4.460 0.002 0.000 0.274 601 C C 1.640 176.594 174.990 -0.060 0.000 1.257 601 C CA -0.218 58.705 59.018 -0.159 0.000 1.695 601 C CB -0.706 27.003 27.740 -0.051 0.000 1.958 601 C HN 0.554 nan 8.230 nan 0.000 0.619 602 D N 1.261 121.627 120.400 -0.056 0.000 2.133 602 D HA -0.157 4.484 4.640 0.002 0.000 0.195 602 D C 1.138 177.290 176.300 -0.246 0.000 0.997 602 D CA 1.804 55.718 54.000 -0.143 0.000 0.840 602 D CB -0.201 40.433 40.800 -0.277 0.000 0.947 602 D HN 0.589 nan 8.370 nan 0.000 0.452 603 Y N -0.551 119.785 120.300 0.060 0.000 2.458 603 Y HA 0.199 4.751 4.550 0.002 0.000 0.256 603 Y C 0.288 176.224 175.900 0.060 0.000 1.159 603 Y CA -0.743 57.391 58.100 0.056 0.000 1.261 603 Y CB 0.272 38.745 38.460 0.022 0.000 1.119 603 Y HN -0.177 nan 8.280 nan 0.000 0.524 604 L N 2.819 124.131 121.223 0.149 0.000 2.615 604 L HA -0.050 4.291 4.340 0.002 0.000 0.271 604 L C 0.709 177.631 176.870 0.086 0.000 1.183 604 L CA 0.481 55.383 54.840 0.103 0.000 0.933 604 L CB -0.004 42.057 42.059 0.003 0.000 1.199 604 L HN 0.361 nan 8.230 nan 0.000 0.487 605 D N 1.229 121.680 120.400 0.084 0.000 2.516 605 D HA 0.033 4.674 4.640 0.002 0.000 0.241 605 D C 0.930 177.237 176.300 0.012 0.000 1.246 605 D CA -0.060 53.961 54.000 0.036 0.000 0.808 605 D CB 0.228 41.037 40.800 0.015 0.000 1.147 605 D HN 0.465 nan 8.370 nan 0.000 0.527 606 R N 0.460 120.995 120.500 0.057 0.000 2.509 606 R HA 0.232 4.573 4.340 0.002 0.000 0.300 606 R C 0.223 176.636 176.300 0.189 0.000 0.985 606 R CA 0.018 56.171 56.100 0.089 0.000 1.092 606 R CB 0.674 31.015 30.300 0.070 0.000 1.237 606 R HN 0.378 nan 8.270 nan 0.000 0.546 607 Q N -0.146 119.741 119.800 0.145 0.000 2.511 607 Q HA 0.464 4.805 4.340 0.002 0.000 0.289 607 Q C -1.343 174.775 176.000 0.195 0.000 1.021 607 Q CA -1.170 54.687 55.803 0.091 0.000 0.785 607 Q CB 1.666 30.387 28.738 -0.028 0.000 1.472 607 Q HN 0.042 nan 8.270 nan 0.000 0.411 611 G N 2.695 111.596 108.800 0.168 0.000 2.627 611 G HA2 -0.201 3.760 3.960 0.002 0.000 0.214 611 G HA3 -0.201 3.760 3.960 0.002 0.000 0.214 611 G C 0.140 175.117 174.900 0.128 0.000 1.331 611 G CA 0.031 45.170 45.100 0.065 0.000 0.891 611 G HN 0.458 nan 8.290 nan 0.000 0.539 612 D N 0.212 120.674 120.400 0.103 0.000 2.144 612 D HA -0.024 4.617 4.640 0.002 0.000 0.199 612 D C 2.064 178.446 176.300 0.136 0.000 0.984 612 D CA 1.842 55.896 54.000 0.089 0.000 0.834 612 D CB -0.095 40.741 40.800 0.060 0.000 0.955 612 D HN 0.479 nan 8.370 nan 0.000 0.465 613 N N -1.198 117.641 118.700 0.233 0.000 2.159 613 N HA 0.136 4.877 4.740 0.002 0.000 0.217 613 N C -0.395 175.155 175.510 0.067 0.000 1.223 613 N CA -0.110 52.994 53.050 0.090 0.000 0.896 613 N CB 1.745 40.211 38.487 -0.036 0.000 1.064 613 N HN -0.109 nan 8.380 nan 0.000 0.518 617 A N 5.160 127.725 122.820 -0.424 0.000 2.605 617 A HA 0.897 5.218 4.320 0.002 0.000 0.293 617 A C -2.930 174.508 177.584 -0.242 0.000 1.216 617 A CA -1.564 50.306 52.037 -0.278 0.000 0.742 617 A CB 1.141 19.957 19.000 -0.306 0.000 1.170 617 A HN 0.547 nan 8.150 nan 0.000 0.443 618 P HA 0.196 nan 4.420 nan 0.000 0.269 618 P C 0.080 177.040 177.300 -0.567 0.000 1.217 618 P CA -0.027 62.812 63.100 -0.436 0.000 0.783 618 P CB 0.856 32.132 31.700 -0.708 0.000 0.898 619 V N 1.201 120.792 119.914 -0.539 0.000 2.398 619 V HA 0.440 4.561 4.120 0.002 0.000 0.286 619 V C -0.575 175.153 176.094 -0.609 0.000 1.026 619 V CA -0.243 61.818 62.300 -0.398 0.000 0.868 619 V CB 0.275 31.992 31.823 -0.176 0.000 0.982 619 V HN 0.315 nan 8.190 nan 0.000 0.443 620 F N 4.057 123.851 119.950 -0.260 0.000 2.819 620 F HA 0.443 4.972 4.527 0.002 0.000 0.294 620 F C 1.043 176.260 175.800 -0.972 0.000 1.166 620 F CA 0.105 57.785 58.000 -0.533 0.000 1.374 620 F CB 0.262 39.118 39.000 -0.239 0.000 0.956 620 F HN 0.809 nan 8.300 nan 0.000 0.509 621 T N -4.846 109.280 114.554 -0.713 0.000 2.883 621 T HA 0.274 4.625 4.350 0.002 0.000 0.301 621 T C 0.595 175.179 174.700 -0.193 0.000 1.158 621 T CA -0.729 61.092 62.100 -0.466 0.000 1.007 621 T CB 2.348 71.132 68.868 -0.140 0.000 1.186 621 T HN 0.177 nan 8.240 nan 0.000 0.499 622 E N 0.832 121.060 120.200 0.047 0.000 2.072 622 E HA -0.012 4.339 4.350 0.002 0.000 0.190 622 E C 2.264 178.871 176.600 0.011 0.000 0.982 622 E CA 1.071 57.522 56.400 0.084 0.000 0.803 622 E CB -0.442 29.086 29.700 -0.288 0.000 0.755 622 E HN 0.793 nan 8.360 nan 0.000 0.453 623 A N 0.207 123.012 122.820 -0.026 0.000 2.076 623 A HA -0.033 4.289 4.320 0.002 0.000 0.220 623 A C 1.941 179.479 177.584 -0.077 0.000 1.160 623 A CA 1.639 53.651 52.037 -0.042 0.000 0.653 623 A CB -0.777 18.212 19.000 -0.020 0.000 0.801 623 A HN 0.583 nan 8.150 nan 0.000 0.455 624 G N -1.248 107.507 108.800 -0.075 0.000 2.159 624 G HA2 -0.180 3.781 3.960 0.002 0.000 0.227 624 G HA3 -0.180 3.781 3.960 0.002 0.000 0.227 624 G C -0.334 174.578 174.900 0.020 0.000 0.986 624 G CA 0.136 45.200 45.100 -0.060 0.000 0.651 624 G HN 0.514 nan 8.290 nan 0.000 0.523 625 D N 0.161 120.569 120.400 0.013 0.000 2.424 625 D HA 0.435 5.076 4.640 0.002 0.000 0.244 625 D C 0.021 176.369 176.300 0.081 0.000 1.134 625 D CA 0.724 54.756 54.000 0.053 0.000 0.881 625 D CB 2.292 43.109 40.800 0.028 0.000 1.191 625 D HN 0.418 nan 8.370 nan 0.000 0.445 626 V N 2.294 122.298 119.914 0.150 0.000 2.891 626 V HA 0.227 4.349 4.120 0.002 0.000 0.304 626 V C -1.651 174.615 176.094 0.288 0.000 1.171 626 V CA -0.574 61.848 62.300 0.203 0.000 0.943 626 V CB 2.266 34.194 31.823 0.174 0.000 1.037 626 V HN 0.461 nan 8.190 nan 0.000 0.427 627 Q N 5.484 125.472 119.800 0.314 0.000 2.353 627 Q HA 0.751 5.092 4.340 0.002 0.000 0.268 627 Q C -1.533 174.793 176.000 0.542 0.000 1.045 627 Q CA -0.489 55.516 55.803 0.336 0.000 0.811 627 Q CB 2.737 31.614 28.738 0.232 0.000 1.305 627 Q HN 0.739 nan 8.270 nan 0.000 0.447 628 F N -1.086 119.051 119.950 0.312 0.000 2.645 628 F HA 0.564 5.092 4.527 0.002 0.000 0.310 628 F C -1.796 173.746 175.800 -0.430 0.000 1.102 628 F CA -1.431 56.525 58.000 -0.073 0.000 0.952 628 F CB 0.922 39.841 39.000 -0.135 0.000 1.326 628 F HN 0.465 nan 8.300 nan 0.000 0.456 629 Y N 2.630 122.345 120.300 -0.975 0.000 2.342 629 Y HA 0.748 5.299 4.550 0.002 0.000 0.334 629 Y C -1.463 174.054 175.900 -0.638 0.000 1.067 629 Y CA -1.211 56.201 58.100 -1.147 0.000 1.128 629 Y CB 1.371 38.912 38.460 -1.533 0.000 1.200 629 Y HN 0.745 nan 8.280 nan 0.000 0.464 630 L N 9.028 129.412 121.223 -1.398 0.000 2.325 630 L HA 0.473 4.814 4.340 0.002 0.000 0.281 630 L C -2.341 173.686 176.870 -1.404 0.000 1.004 630 L CA -2.124 51.939 54.840 -1.294 0.000 0.823 630 L CB 1.927 43.393 42.059 -0.989 0.000 1.236 630 L HN 0.552 nan 8.230 nan 0.000 0.415 631 P HA -0.028 nan 4.420 nan 0.000 0.274 631 P C -0.701 176.547 177.300 -0.087 0.000 1.264 631 P CA -0.477 62.326 63.100 -0.495 0.000 0.795 631 P CB 0.438 31.600 31.700 -0.897 0.000 1.064 632 E N 0.414 120.623 120.200 0.016 0.000 2.608 632 E HA 0.315 4.667 4.350 0.002 0.000 0.259 632 E C 0.253 176.946 176.600 0.155 0.000 0.951 632 E CA 1.235 57.690 56.400 0.091 0.000 0.945 632 E CB -0.872 28.886 29.700 0.097 0.000 0.916 632 E HN 0.697 nan 8.360 nan 0.000 0.477 633 G N 3.171 112.042 108.800 0.118 0.000 2.355 633 G HA2 -0.021 3.940 3.960 0.002 0.000 0.619 633 G HA3 -0.021 3.940 3.960 0.002 0.000 0.619 633 G C -1.317 173.621 174.900 0.062 0.000 1.337 633 G CA -0.559 44.552 45.100 0.018 0.000 0.993 633 G HN 0.693 nan 8.290 nan 0.000 0.599 634 R N -0.241 120.217 120.500 -0.069 0.000 2.265 634 R HA 0.594 4.935 4.340 0.002 0.000 0.328 634 R C -0.841 175.430 176.300 -0.049 0.000 0.969 634 R CA -0.721 55.397 56.100 0.030 0.000 0.832 634 R CB 0.540 30.852 30.300 0.020 0.000 1.139 634 R HN 0.477 nan 8.270 nan 0.000 0.457 635 W N 2.218 123.508 121.300 -0.017 0.000 2.448 635 W HA 0.413 5.074 4.660 0.002 0.000 0.339 635 W C -0.145 176.476 176.519 0.170 0.000 1.124 635 W CA -0.382 56.984 57.345 0.034 0.000 1.262 635 W CB 1.953 31.390 29.460 -0.037 0.000 1.251 635 W HN 0.330 nan 8.180 nan 0.000 0.597 636 T N 1.718 116.524 114.554 0.421 0.000 2.861 636 T HA 0.104 4.455 4.350 0.002 0.000 0.287 636 T C -0.772 174.054 174.700 0.211 0.000 1.003 636 T CA -0.611 61.718 62.100 0.382 0.000 0.977 636 T CB 0.935 70.052 68.868 0.414 0.000 0.996 636 T HN 0.277 nan 8.240 nan 0.000 0.448 637 H N 4.300 123.324 119.070 -0.076 0.000 2.803 637 H HA 0.091 4.648 4.556 0.002 0.000 0.330 637 H C 1.086 176.232 175.328 -0.302 0.000 1.057 637 H CA -0.446 55.208 56.048 -0.658 0.000 1.458 637 H CB 0.706 30.041 29.762 -0.712 0.000 1.470 637 H HN 0.479 nan 8.280 nan 0.000 0.560 638 L N 5.580 126.450 121.223 -0.589 0.000 2.064 638 L HA -0.245 4.096 4.340 0.002 0.000 0.216 638 L C 1.369 178.412 176.870 0.289 0.000 1.077 638 L CA 2.658 57.444 54.840 -0.091 0.000 0.766 638 L CB -0.537 41.498 42.059 -0.040 0.000 0.890 638 L HN 0.884 nan 8.230 nan 0.000 0.435 639 W N -3.921 117.518 121.300 0.232 0.000 2.520 639 W HA 0.233 4.895 4.660 0.002 0.000 0.272 639 W C 1.735 178.294 176.519 0.067 0.000 0.984 639 W CA -0.280 57.133 57.345 0.112 0.000 1.314 639 W CB -0.710 28.768 29.460 0.030 0.000 0.945 639 W HN -0.068 nan 8.180 nan 0.000 0.596 640 H N 1.208 120.153 119.070 -0.207 0.000 2.548 640 H HA 0.059 4.617 4.556 0.002 0.000 0.268 640 H C 0.758 176.046 175.328 -0.067 0.000 0.975 640 H CA 1.014 56.870 56.048 -0.321 0.000 1.195 640 H CB -0.285 28.978 29.762 -0.832 0.000 1.397 640 H HN 0.214 nan 8.280 nan 0.000 0.572 641 N N 1.248 120.045 118.700 0.161 0.000 2.732 641 N HA -0.206 4.535 4.740 0.002 0.000 0.250 641 N C -0.948 174.668 175.510 0.177 0.000 1.097 641 N CA 1.140 54.305 53.050 0.191 0.000 0.812 641 N CB -1.061 37.528 38.487 0.169 0.000 1.148 641 N HN 0.687 nan 8.380 nan 0.000 0.572 642 D N -0.529 119.970 120.400 0.165 0.000 2.372 642 D HA 0.296 4.937 4.640 0.002 0.000 0.243 642 D C -0.021 176.437 176.300 0.263 0.000 1.121 642 D CA -0.080 54.019 54.000 0.165 0.000 0.898 642 D CB 0.760 41.630 40.800 0.117 0.000 1.202 642 D HN 0.247 nan 8.370 nan 0.000 0.428 643 E N 0.759 121.077 120.200 0.197 0.000 2.222 643 E HA 0.610 4.961 4.350 0.002 0.000 0.272 643 E C -0.613 176.059 176.600 0.120 0.000 0.982 643 E CA -0.948 55.572 56.400 0.201 0.000 0.842 643 E CB 1.685 31.473 29.700 0.147 0.000 1.144 643 E HN 0.396 nan 8.360 nan 0.000 0.397 644 L N 1.488 122.758 121.223 0.079 0.000 2.434 644 L HA 0.396 4.737 4.340 0.002 0.000 0.260 644 L C -1.004 175.885 176.870 0.031 0.000 0.983 644 L CA -1.015 53.771 54.840 -0.091 0.000 0.820 644 L CB 2.276 44.024 42.059 -0.519 0.000 1.361 644 L HN 0.423 nan 8.230 nan 0.000 0.410 645 D N 0.826 121.265 120.400 0.064 0.000 2.175 645 D HA 0.466 5.107 4.640 0.002 0.000 0.248 645 D C 0.104 176.483 176.300 0.132 0.000 1.047 645 D CA 0.051 54.122 54.000 0.119 0.000 0.883 645 D CB 2.388 43.238 40.800 0.085 0.000 1.180 645 D HN 0.650 nan 8.370 nan 0.000 0.438 646 G N -0.626 108.243 108.800 0.116 0.000 2.510 646 G HA2 0.352 4.313 3.960 0.002 0.000 0.280 646 G HA3 0.352 4.313 3.960 0.002 0.000 0.280 646 G C 0.166 174.991 174.900 -0.124 0.000 1.386 646 G CA -0.237 44.838 45.100 -0.042 0.000 1.047 646 G HN 0.495 nan 8.290 nan 0.000 0.527 647 S N -1.921 113.624 115.700 -0.259 0.000 3.382 647 S HA -0.174 4.298 4.470 0.002 0.000 0.293 647 S C 0.415 174.994 174.600 -0.035 0.000 1.262 647 S CA 1.693 59.845 58.200 -0.081 0.000 0.969 647 S CB -1.415 61.800 63.200 0.024 0.000 1.136 647 S HN 1.168 nan 8.310 nan 0.000 0.635 648 R N -1.744 118.578 120.500 -0.297 0.000 2.752 648 R HA 0.646 4.987 4.340 0.002 0.000 0.271 648 R C -1.495 174.589 176.300 -0.360 0.000 1.026 648 R CA -1.114 54.891 56.100 -0.158 0.000 0.901 648 R CB 0.473 30.639 30.300 -0.223 0.000 1.243 648 R HN 0.110 nan 8.270 nan 0.000 0.463 649 W N 0.754 121.848 121.300 -0.342 0.000 2.375 649 W HA 0.459 5.120 4.660 0.002 0.000 0.336 649 W C 0.303 176.366 176.519 -0.759 0.000 1.160 649 W CA 0.240 57.347 57.345 -0.396 0.000 1.266 649 W CB 1.036 30.382 29.460 -0.190 0.000 1.195 649 W HN 0.311 nan 8.180 nan 0.000 0.599 650 H N 1.875 120.703 119.070 -0.403 0.000 2.747 650 H HA 0.341 4.898 4.556 0.002 0.000 0.371 650 H C -0.797 174.279 175.328 -0.419 0.000 1.161 650 H CA -1.013 54.712 56.048 -0.539 0.000 1.167 650 H CB 2.412 31.626 29.762 -0.914 0.000 1.732 650 H HN 0.004 nan 8.280 nan 0.000 0.544 651 K N 2.449 122.811 120.400 -0.063 0.000 2.376 651 K HA 0.336 4.658 4.320 0.002 0.000 0.257 651 K C -0.982 175.681 176.600 0.104 0.000 0.939 651 K CA -0.374 55.930 56.287 0.028 0.000 0.809 651 K CB 1.745 34.248 32.500 0.005 0.000 1.121 651 K HN 0.789 nan 8.250 nan 0.000 0.425 652 Q N 1.702 121.624 119.800 0.203 0.000 2.687 652 Q HA 0.361 4.702 4.340 0.002 0.000 0.305 652 Q C -1.351 174.773 176.000 0.206 0.000 1.006 652 Q CA -0.981 54.952 55.803 0.216 0.000 0.763 652 Q CB 2.631 31.613 28.738 0.407 0.000 1.506 652 Q HN 0.509 nan 8.270 nan 0.000 0.459 653 Q N 0.734 120.603 119.800 0.115 0.000 2.275 653 Q HA 0.337 4.678 4.340 0.002 0.000 0.266 653 Q C -1.733 174.273 176.000 0.009 0.000 1.002 653 Q CA -0.214 55.642 55.803 0.088 0.000 0.761 653 Q CB 1.382 30.122 28.738 0.004 0.000 1.255 653 Q HN 0.616 nan 8.270 nan 0.000 0.446 654 H N 1.491 120.543 119.070 -0.031 0.000 2.621 654 H HA 0.496 5.053 4.556 0.002 0.000 0.360 654 H C 0.027 175.289 175.328 -0.109 0.000 1.163 654 H CA -0.778 55.248 56.048 -0.037 0.000 1.194 654 H CB 2.089 31.871 29.762 0.033 0.000 1.649 654 H HN 0.811 nan 8.280 nan 0.000 0.532 655 G N 0.163 108.976 108.800 0.021 0.000 2.580 655 G HA2 0.133 4.094 3.960 0.002 0.000 0.278 655 G HA3 0.133 4.094 3.960 0.002 0.000 0.278 655 G C 0.190 175.067 174.900 -0.040 0.000 1.212 655 G CA -0.436 44.598 45.100 -0.110 0.000 0.939 655 G HN 0.477 nan 8.290 nan 0.000 0.513 656 F N -0.906 119.163 119.950 0.198 0.000 2.333 656 F HA 0.030 4.558 4.527 0.002 0.000 0.300 656 F C 2.114 178.097 175.800 0.305 0.000 1.083 656 F CA 0.447 58.594 58.000 0.246 0.000 1.395 656 F CB 0.082 39.221 39.000 0.233 0.000 1.056 656 F HN 0.029 nan 8.300 nan 0.000 0.529 657 L N -0.953 120.458 121.223 0.313 0.000 2.688 657 L HA 0.234 4.575 4.340 0.002 0.000 0.234 657 L C 0.545 177.514 176.870 0.164 0.000 1.192 657 L CA 0.414 55.282 54.840 0.047 0.000 0.984 657 L CB -1.475 40.392 42.059 -0.321 0.000 1.232 657 L HN 0.073 nan 8.230 nan 0.000 0.465 658 S N 0.370 116.381 115.700 0.517 0.000 2.625 658 S HA 0.867 5.338 4.470 0.002 0.000 0.271 658 S C -1.215 173.697 174.600 0.521 0.000 1.161 658 S CA -0.522 58.100 58.200 0.704 0.000 0.820 658 S CB 1.803 65.397 63.200 0.658 0.000 1.137 658 S HN 0.190 nan 8.310 nan 0.000 0.470 659 L N -1.452 119.978 121.223 0.344 0.000 3.002 659 L HA 0.634 4.975 4.340 0.002 0.000 0.267 659 L C -3.245 173.404 176.870 -0.367 0.000 0.997 659 L CA -1.964 52.712 54.840 -0.274 0.000 0.961 659 L CB 1.311 43.323 42.059 -0.079 0.000 1.502 659 L HN 0.390 nan 8.230 nan 0.000 0.408 660 P HA 0.247 nan 4.420 nan 0.000 0.265 660 P C -0.966 176.081 177.300 -0.422 0.000 1.222 660 P CA 0.108 62.950 63.100 -0.430 0.000 0.767 660 P CB 0.858 31.993 31.700 -0.943 0.000 0.801 661 V N 5.901 125.433 119.914 -0.637 0.000 2.439 661 V HA 0.284 4.405 4.120 0.002 0.000 0.277 661 V C -0.853 174.687 176.094 -0.923 0.000 1.008 661 V CA -0.518 61.410 62.300 -0.619 0.000 0.846 661 V CB 0.176 31.730 31.823 -0.447 0.000 1.031 661 V HN 0.376 nan 8.190 nan 0.000 0.441 662 Y N 2.221 122.289 120.300 -0.386 0.000 2.409 662 Y HA 0.691 5.242 4.550 0.002 0.000 0.339 662 Y C 0.191 176.109 175.900 0.030 0.000 1.033 662 Y CA -0.955 57.042 58.100 -0.171 0.000 1.094 662 Y CB 2.207 40.638 38.460 -0.048 0.000 1.210 662 Y HN 0.340 nan 8.280 nan 0.000 0.456 663 V N 3.806 123.728 119.914 0.013 0.000 2.427 663 V HA 0.405 4.526 4.120 0.002 0.000 0.286 663 V C 0.115 176.016 176.094 -0.321 0.000 1.034 663 V CA -1.184 60.945 62.300 -0.284 0.000 0.893 663 V CB 1.270 32.474 31.823 -1.032 0.000 0.982 663 V HN 0.733 nan 8.190 nan 0.000 0.452 664 R N 3.036 123.189 120.500 -0.578 0.000 2.694 664 R HA 0.143 4.484 4.340 0.002 0.000 0.268 664 R C -0.027 175.894 176.300 -0.630 0.000 1.061 664 R CA -0.395 55.014 56.100 -1.151 0.000 1.133 664 R CB 0.476 30.213 30.300 -0.938 0.000 1.020 664 R HN 0.920 nan 8.270 nan 0.000 0.475 665 D N 1.761 121.793 120.400 -0.613 0.000 2.363 665 D HA -0.036 4.605 4.640 0.002 0.000 0.240 665 D C -0.359 175.822 176.300 -0.199 0.000 1.236 665 D CA -0.237 53.585 54.000 -0.296 0.000 0.927 665 D CB 0.226 40.864 40.800 -0.270 0.000 1.150 665 D HN 0.670 nan 8.370 nan 0.000 0.458 666 N N -1.281 117.354 118.700 -0.107 0.000 2.721 666 N HA -0.170 4.571 4.740 0.002 0.000 0.249 666 N C -0.728 174.774 175.510 -0.013 0.000 1.072 666 N CA 1.371 54.382 53.050 -0.066 0.000 0.710 666 N CB -1.783 36.627 38.487 -0.128 0.000 0.993 666 N HN 0.847 nan 8.380 nan 0.000 0.547 667 T N -2.596 111.980 114.554 0.036 0.000 2.876 667 T HA 0.622 4.973 4.350 0.002 0.000 0.289 667 T C -0.394 174.425 174.700 0.199 0.000 1.014 667 T CA -0.979 61.162 62.100 0.068 0.000 0.986 667 T CB 2.586 71.439 68.868 -0.024 0.000 1.021 667 T HN 0.069 nan 8.240 nan 0.000 0.458 668 L N 3.303 124.628 121.223 0.170 0.000 2.294 668 L HA 0.689 5.030 4.340 0.002 0.000 0.283 668 L C -1.196 175.838 176.870 0.274 0.000 1.015 668 L CA -1.057 53.915 54.840 0.219 0.000 0.831 668 L CB 0.856 42.983 42.059 0.112 0.000 1.217 668 L HN 0.757 nan 8.230 nan 0.000 0.420 669 L N 4.384 125.831 121.223 0.375 0.000 2.344 669 L HA 0.873 5.214 4.340 0.002 0.000 0.272 669 L C -0.298 176.798 176.870 0.376 0.000 1.035 669 L CA -0.290 54.733 54.840 0.305 0.000 0.807 669 L CB 1.816 44.025 42.059 0.251 0.000 1.237 669 L HN 0.720 nan 8.230 nan 0.000 0.442 670 A N 5.001 127.972 122.820 0.252 0.000 2.310 670 A HA 0.695 5.016 4.320 0.002 0.000 0.304 670 A C -1.219 176.388 177.584 0.038 0.000 1.231 670 A CA -0.471 51.617 52.037 0.085 0.000 0.799 670 A CB 0.294 19.332 19.000 0.063 0.000 1.162 670 A HN 0.611 nan 8.150 nan 0.000 0.486 671 L N 2.485 123.731 121.223 0.037 0.000 2.325 671 L HA 0.678 5.020 4.340 0.002 0.000 0.278 671 L C 0.979 177.895 176.870 0.077 0.000 1.023 671 L CA -0.772 54.104 54.840 0.060 0.000 0.811 671 L CB 2.016 44.107 42.059 0.053 0.000 1.249 671 L HN 0.784 nan 8.230 nan 0.000 0.431 672 G N 0.174 109.069 108.800 0.160 0.000 2.504 672 G HA2 0.185 4.146 3.960 0.002 0.000 0.288 672 G HA3 0.185 4.146 3.960 0.002 0.000 0.288 672 G C 0.336 175.306 174.900 0.118 0.000 1.182 672 G CA -0.538 44.724 45.100 0.269 0.000 0.894 672 G HN 0.846 nan 8.290 nan 0.000 0.521 673 N N -0.713 118.015 118.700 0.047 0.000 2.314 673 N HA 0.003 4.744 4.740 0.002 0.000 0.200 673 N C 0.099 175.481 175.510 -0.212 0.000 1.135 673 N CA -0.329 52.687 53.050 -0.056 0.000 0.835 673 N CB 0.381 38.855 38.487 -0.023 0.000 0.989 673 N HN 0.279 nan 8.380 nan 0.000 0.478 674 N N 0.728 119.159 118.700 -0.449 0.000 2.354 674 N HA 0.106 4.847 4.740 0.002 0.000 0.287 674 N C -1.202 174.125 175.510 -0.306 0.000 1.016 674 N CA -0.342 52.340 53.050 -0.613 0.000 0.871 674 N CB 1.477 39.062 38.487 -1.504 0.000 1.299 674 N HN 0.274 nan 8.380 nan 0.000 0.482 675 D N 1.649 121.962 120.400 -0.144 0.000 2.513 675 D HA 0.075 4.716 4.640 0.002 0.000 0.222 675 D C 0.281 176.592 176.300 0.018 0.000 1.210 675 D CA 0.180 54.156 54.000 -0.039 0.000 0.825 675 D CB 0.456 41.212 40.800 -0.073 0.000 1.037 675 D HN 0.321 nan 8.370 nan 0.000 0.506 676 Q N 0.478 120.295 119.800 0.028 0.000 2.392 676 Q HA 0.194 4.535 4.340 0.002 0.000 0.219 676 Q C 0.438 176.587 176.000 0.249 0.000 0.895 676 Q CA 0.520 56.372 55.803 0.082 0.000 0.929 676 Q CB 1.336 30.085 28.738 0.018 0.000 1.077 676 Q HN 0.527 nan 8.270 nan 0.000 0.532 677 R N -0.879 119.797 120.500 0.294 0.000 2.739 677 R HA 0.400 4.741 4.340 0.002 0.000 0.271 677 R C -2.540 173.996 176.300 0.394 0.000 1.010 677 R CA -1.380 54.979 56.100 0.432 0.000 0.897 677 R CB 1.017 31.535 30.300 0.363 0.000 1.236 677 R HN -0.313 nan 8.270 nan 0.000 0.466 678 P HA -0.052 nan 4.420 nan 0.000 0.226 678 P C -0.750 176.703 177.300 0.255 0.000 1.161 678 P CA 0.878 64.112 63.100 0.224 0.000 0.804 678 P CB 0.086 31.836 31.700 0.083 0.000 0.829 679 D N 0.923 121.436 120.400 0.188 0.000 2.396 679 D HA 0.215 4.856 4.640 0.002 0.000 0.225 679 D C -0.118 176.148 176.300 -0.057 0.000 1.121 679 D CA -0.709 53.272 54.000 -0.031 0.000 0.853 679 D CB 0.265 41.087 40.800 0.037 0.000 1.043 679 D HN 0.288 nan 8.370 nan 0.000 0.500 680 Y N -1.721 118.336 120.300 -0.406 0.000 2.818 680 Y HA 0.407 4.958 4.550 0.002 0.000 0.341 680 Y C -0.962 174.557 175.900 -0.635 0.000 1.283 680 Y CA -1.665 56.226 58.100 -0.348 0.000 1.075 680 Y CB 0.499 38.902 38.460 -0.095 0.000 1.370 680 Y HN 0.025 nan 8.280 nan 0.000 0.448 681 V N 0.407 120.262 119.914 -0.098 0.000 2.341 681 V HA 0.022 4.143 4.120 0.002 0.000 0.248 681 V C -0.373 175.788 176.094 0.112 0.000 1.107 681 V CA -0.312 61.869 62.300 -0.198 0.000 1.069 681 V CB -1.450 30.392 31.823 0.031 0.000 1.177 681 V HN 0.848 nan 8.190 nan 0.000 0.492 682 W N 2.972 124.279 121.300 0.011 0.000 3.405 682 W HA 0.272 4.933 4.660 0.002 0.000 0.300 682 W C 1.268 177.877 176.519 0.150 0.000 1.286 682 W CA -0.262 57.138 57.345 0.091 0.000 1.762 682 W CB -1.688 27.668 29.460 -0.173 0.000 1.087 682 W HN 0.836 nan 8.180 nan 0.000 0.703 683 H N -1.324 117.874 119.070 0.212 0.000 2.652 683 H HA 0.313 4.870 4.556 0.002 0.000 0.274 683 H C -0.149 175.207 175.328 0.048 0.000 1.021 683 H CA -0.225 55.908 56.048 0.143 0.000 1.187 683 H CB 0.303 30.145 29.762 0.132 0.000 1.505 683 H HN 0.154 nan 8.280 nan 0.000 0.530 684 E N 0.853 121.222 120.200 0.282 0.000 2.145 684 E HA 0.346 4.697 4.350 0.002 0.000 0.262 684 E C 0.765 177.439 176.600 0.124 0.000 0.883 684 E CA -0.159 56.302 56.400 0.101 0.000 0.748 684 E CB 1.032 30.797 29.700 0.109 0.000 1.140 684 E HN 0.502 nan 8.360 nan 0.000 0.417 685 G N 3.414 112.275 108.800 0.101 0.000 2.157 685 G HA2 -0.291 3.670 3.960 0.002 0.000 0.248 685 G HA3 -0.291 3.670 3.960 0.002 0.000 0.248 685 G C 0.429 175.386 174.900 0.096 0.000 0.979 685 G CA 0.183 45.339 45.100 0.094 0.000 0.650 685 G HN 0.815 nan 8.290 nan 0.000 0.529 686 T N 0.557 115.157 114.554 0.077 0.000 2.792 686 T HA 0.472 4.823 4.350 0.002 0.000 0.286 686 T C 0.847 175.439 174.700 -0.179 0.000 0.970 686 T CA 1.015 63.051 62.100 -0.108 0.000 1.187 686 T CB 0.257 68.922 68.868 -0.338 0.000 0.915 686 T HN 1.665 nan 8.240 nan 0.000 0.529 687 A N 6.736 129.498 122.820 -0.097 0.000 2.506 687 A HA 0.567 4.888 4.320 0.002 0.000 0.320 687 A C -0.010 177.591 177.584 0.029 0.000 1.424 687 A CA -0.683 51.370 52.037 0.026 0.000 1.044 687 A CB -0.500 18.586 19.000 0.144 0.000 1.140 687 A HN 0.794 nan 8.150 nan 0.000 0.538 688 F N 0.884 120.955 119.950 0.202 0.000 2.444 688 F HA 0.411 4.939 4.527 0.002 0.000 0.331 688 F C 0.743 176.547 175.800 0.007 0.000 1.167 688 F CA 0.861 58.980 58.000 0.199 0.000 1.262 688 F CB 0.737 39.839 39.000 0.168 0.000 1.196 688 F HN 0.566 nan 8.300 nan 0.000 0.583 689 H N 1.732 120.961 119.070 0.265 0.000 3.018 689 H HA 0.323 4.881 4.556 0.002 0.000 0.334 689 H C -1.218 174.087 175.328 -0.039 0.000 0.983 689 H CA -0.638 55.414 56.048 0.006 0.000 1.363 689 H CB 1.381 31.087 29.762 -0.094 0.000 1.668 689 H HN 0.349 nan 8.280 nan 0.000 0.513 690 L N 4.663 125.845 121.223 -0.069 0.000 2.264 690 L HA 0.455 4.797 4.340 0.002 0.000 0.289 690 L C -1.258 175.518 176.870 -0.155 0.000 1.044 690 L CA -0.344 54.496 54.840 -0.000 0.000 0.807 690 L CB -0.370 41.697 42.059 0.014 0.000 1.192 690 L HN 0.528 nan 8.230 nan 0.000 0.425 691 F N 3.898 123.876 119.950 0.046 0.000 2.444 691 F HA 0.404 4.932 4.527 0.002 0.000 0.342 691 F C 0.966 176.752 175.800 -0.023 0.000 1.121 691 F CA -0.951 57.059 58.000 0.018 0.000 0.997 691 F CB 0.748 39.745 39.000 -0.005 0.000 1.130 691 F HN 0.494 nan 8.300 nan 0.000 0.454 692 N N 3.139 121.922 118.700 0.138 0.000 2.724 692 N HA -0.199 4.543 4.740 0.002 0.000 0.293 692 N C -1.009 174.506 175.510 0.007 0.000 1.090 692 N CA 0.275 53.356 53.050 0.052 0.000 0.793 692 N CB -0.133 38.370 38.487 0.026 0.000 0.958 692 N HN 0.415 nan 8.380 nan 0.000 0.575 693 L N 2.267 123.498 121.223 0.014 0.000 2.260 693 L HA 0.190 4.531 4.340 0.002 0.000 0.289 693 L C 0.665 177.532 176.870 -0.005 0.000 1.057 693 L CA 0.137 54.980 54.840 0.005 0.000 0.811 693 L CB 0.854 42.931 42.059 0.031 0.000 1.184 693 L HN 0.341 nan 8.230 nan 0.000 0.429 694 Q N 2.690 122.456 119.800 -0.056 0.000 2.306 694 Q HA 0.122 4.463 4.340 0.002 0.000 0.241 694 Q C -0.303 175.795 176.000 0.163 0.000 0.948 694 Q CA -0.586 55.208 55.803 -0.015 0.000 0.886 694 Q CB 1.386 29.981 28.738 -0.238 0.000 1.227 694 Q HN 0.501 nan 8.270 nan 0.000 0.457 695 D N 0.372 120.859 120.400 0.145 0.000 2.487 695 D HA 0.023 4.664 4.640 0.002 0.000 0.243 695 D C 0.521 176.921 176.300 0.166 0.000 1.154 695 D CA 1.426 55.501 54.000 0.124 0.000 0.876 695 D CB 0.351 41.197 40.800 0.077 0.000 1.161 695 D HN 0.783 nan 8.370 nan 0.000 0.478 696 G N 3.345 112.188 108.800 0.073 0.000 2.149 696 G HA2 -0.186 3.775 3.960 0.002 0.000 0.235 696 G HA3 -0.186 3.775 3.960 0.002 0.000 0.235 696 G C 0.133 174.906 174.900 -0.212 0.000 1.018 696 G CA 0.181 45.249 45.100 -0.053 0.000 0.728 696 G HN 0.758 nan 8.290 nan 0.000 0.508 697 H N -0.080 118.988 119.070 -0.002 0.000 2.907 697 H HA 0.610 5.167 4.556 0.002 0.000 0.361 697 H C -0.271 175.054 175.328 -0.006 0.000 1.194 697 H CA -0.116 55.929 56.048 -0.005 0.000 1.152 697 H CB 2.051 31.810 29.762 -0.004 0.000 1.867 697 H HN 0.590 nan 8.280 nan 0.000 0.561 698 E N 0.314 120.587 120.200 0.121 0.000 2.304 698 E HA 0.655 5.006 4.350 0.002 0.000 0.277 698 E C -1.646 174.982 176.600 0.047 0.000 0.898 698 E CA -1.297 55.137 56.400 0.056 0.000 0.764 698 E CB 2.358 32.067 29.700 0.015 0.000 1.216 698 E HN 0.551 nan 8.360 nan 0.000 0.419 699 A N 3.064 125.903 122.820 0.031 0.000 2.258 699 A HA 0.540 4.861 4.320 0.002 0.000 0.316 699 A C -0.387 177.198 177.584 0.001 0.000 1.279 699 A CA -0.669 51.384 52.037 0.027 0.000 0.876 699 A CB 0.851 19.879 19.000 0.047 0.000 1.170 699 A HN 0.408 nan 8.150 nan 0.000 0.520 700 V N 1.254 121.165 119.914 -0.005 0.000 2.617 700 V HA 0.542 4.663 4.120 0.002 0.000 0.298 700 V C 0.123 176.213 176.094 -0.007 0.000 1.048 700 V CA -0.501 61.778 62.300 -0.035 0.000 0.964 700 V CB 1.391 33.190 31.823 -0.041 0.000 1.004 700 V HN 1.027 nan 8.190 nan 0.000 0.466 701 C N 4.066 123.343 119.300 -0.039 0.000 2.551 701 C HA 0.586 5.047 4.460 0.002 0.000 0.332 701 C C -0.663 174.333 174.990 0.009 0.000 1.139 701 C CA -0.451 58.592 59.018 0.042 0.000 1.328 701 C CB 0.656 28.474 27.740 0.131 0.000 1.903 701 C HN 1.015 nan 8.230 nan 0.000 0.459 702 E N 4.330 124.565 120.200 0.059 0.000 2.155 702 E HA 0.463 4.814 4.350 0.002 0.000 0.264 702 E C -0.813 175.863 176.600 0.128 0.000 0.886 702 E CA -0.499 55.931 56.400 0.050 0.000 0.752 702 E CB 1.969 31.678 29.700 0.016 0.000 1.133 702 E HN 0.575 nan 8.360 nan 0.000 0.414 703 V N 5.438 125.485 119.914 0.222 0.000 2.498 703 V HA 0.296 4.417 4.120 0.002 0.000 0.279 703 V C -1.833 174.409 176.094 0.246 0.000 1.048 703 V CA -1.371 61.089 62.300 0.267 0.000 0.967 703 V CB 0.790 32.881 31.823 0.446 0.000 0.988 703 V HN 0.610 nan 8.190 nan 0.000 0.473 704 P HA 0.597 nan 4.420 nan 0.000 0.287 704 P C -0.720 176.842 177.300 0.435 0.000 1.292 704 P CA -0.588 62.673 63.100 0.269 0.000 0.879 704 P CB 2.326 34.153 31.700 0.211 0.000 1.214 705 A N 0.658 123.649 122.820 0.285 0.000 2.450 705 A HA 0.606 4.927 4.320 0.002 0.000 0.281 705 A C 1.440 179.137 177.584 0.190 0.000 1.372 705 A CA 0.138 52.255 52.037 0.132 0.000 0.886 705 A CB -0.718 18.310 19.000 0.047 0.000 1.462 705 A HN 0.449 nan 8.150 nan 0.000 0.514 706 A N -0.635 122.167 122.820 -0.028 0.000 2.238 706 A HA 0.104 4.425 4.320 0.002 0.000 0.208 706 A C 0.914 178.594 177.584 0.160 0.000 1.177 706 A CA 1.354 53.351 52.037 -0.067 0.000 0.804 706 A CB -0.429 18.443 19.000 -0.213 0.000 0.823 706 A HN 0.738 nan 8.150 nan 0.000 0.482 707 D N -2.462 118.055 120.400 0.195 0.000 2.402 707 D HA 0.254 4.895 4.640 0.002 0.000 0.216 707 D C 1.105 177.536 176.300 0.220 0.000 1.128 707 D CA 0.684 54.802 54.000 0.197 0.000 0.833 707 D CB -0.304 40.561 40.800 0.109 0.000 0.971 707 D HN 0.557 nan 8.370 nan 0.000 0.503 708 G N 1.023 110.022 108.800 0.332 0.000 2.234 708 G HA2 -0.329 3.632 3.960 0.002 0.000 0.260 708 G HA3 -0.329 3.632 3.960 0.002 0.000 0.260 708 G C 0.481 175.452 174.900 0.117 0.000 0.987 708 G CA 0.552 45.762 45.100 0.184 0.000 0.625 708 G HN 0.768 nan 8.290 nan 0.000 0.532 709 S N -0.671 115.101 115.700 0.120 0.000 2.592 709 S HA 0.607 5.078 4.470 0.002 0.000 0.271 709 S C 0.422 175.087 174.600 0.108 0.000 1.326 709 S CA 0.008 58.260 58.200 0.087 0.000 1.024 709 S CB 2.372 65.617 63.200 0.075 0.000 0.921 709 S HN 1.613 nan 8.310 nan 0.000 0.527 710 V N 4.647 124.611 119.914 0.085 0.000 2.432 710 V HA 0.247 4.368 4.120 0.002 0.000 0.271 710 V C 0.989 177.157 176.094 0.122 0.000 1.046 710 V CA -0.683 61.678 62.300 0.102 0.000 0.945 710 V CB -0.060 31.798 31.823 0.059 0.000 0.992 710 V HN 0.922 nan 8.190 nan 0.000 0.471 711 I N 5.231 125.912 120.570 0.185 0.000 2.556 711 I HA 0.268 4.439 4.170 0.002 0.000 0.251 711 I C 0.447 176.734 176.117 0.283 0.000 1.105 711 I CA 0.908 62.341 61.300 0.222 0.000 1.436 711 I CB -0.562 37.603 38.000 0.275 0.000 1.139 711 I HN 0.523 nan 8.210 nan 0.000 0.438 712 F N 2.277 122.308 119.950 0.135 0.000 2.480 712 F HA 0.680 5.208 4.527 0.002 0.000 0.329 712 F C -0.599 175.222 175.800 0.035 0.000 1.091 712 F CA -0.597 57.453 58.000 0.084 0.000 0.972 712 F CB 1.713 40.783 39.000 0.117 0.000 1.150 712 F HN -0.130 nan 8.300 nan 0.000 0.467 713 T N 6.457 120.479 114.554 -0.886 0.000 2.886 713 T HA 0.532 4.883 4.350 0.002 0.000 0.292 713 T C -1.478 172.589 174.700 -1.056 0.000 1.012 713 T CA -0.580 61.106 62.100 -0.690 0.000 0.982 713 T CB 1.477 70.128 68.868 -0.362 0.000 1.018 713 T HN 0.593 nan 8.240 nan 0.000 0.451 714 L N 2.941 123.727 121.223 -0.728 0.000 2.406 714 L HA 0.629 4.970 4.340 0.002 0.000 0.272 714 L C -0.841 175.803 176.870 -0.377 0.000 0.980 714 L CA -0.704 53.713 54.840 -0.705 0.000 0.831 714 L CB 1.641 43.083 42.059 -1.028 0.000 1.253 714 L HN 0.492 nan 8.230 nan 0.000 0.406 715 K N 4.031 124.268 120.400 -0.272 0.000 2.463 715 K HA 0.729 5.050 4.320 0.002 0.000 0.255 715 K C -1.219 175.323 176.600 -0.097 0.000 0.942 715 K CA -0.457 55.739 56.287 -0.150 0.000 0.814 715 K CB 1.916 34.344 32.500 -0.121 0.000 1.122 715 K HN 0.612 nan 8.250 nan 0.000 0.425 716 A N 3.304 126.089 122.820 -0.058 0.000 2.277 716 A HA 0.692 5.013 4.320 0.002 0.000 0.318 716 A C -0.764 176.820 177.584 0.000 0.000 1.339 716 A CA -0.618 51.407 52.037 -0.021 0.000 0.875 716 A CB 0.948 19.945 19.000 -0.006 0.000 1.158 716 A HN 0.753 nan 8.150 nan 0.000 0.514 717 A N 2.683 125.504 122.820 0.002 0.000 2.306 717 A HA 0.861 5.182 4.320 0.002 0.000 0.330 717 A C 0.225 177.821 177.584 0.020 0.000 1.146 717 A CA -0.697 51.347 52.037 0.011 0.000 0.827 717 A CB 0.819 19.819 19.000 -0.001 0.000 1.178 717 A HN 0.906 nan 8.150 nan 0.000 0.490 718 R N 0.644 121.163 120.500 0.031 0.000 2.574 718 R HA 0.617 4.958 4.340 0.002 0.000 0.288 718 R C -1.664 174.653 176.300 0.029 0.000 1.004 718 R CA -0.168 55.952 56.100 0.034 0.000 0.895 718 R CB 1.886 32.215 30.300 0.049 0.000 1.191 718 R HN 0.828 nan 8.270 nan 0.000 0.444 719 T N 0.939 115.506 114.554 0.021 0.000 2.928 719 T HA 0.579 4.930 4.350 0.002 0.000 0.296 719 T C 0.594 175.304 174.700 0.017 0.000 1.000 719 T CA -0.102 62.006 62.100 0.014 0.000 0.989 719 T CB 1.792 70.663 68.868 0.005 0.000 1.005 719 T HN 0.901 nan 8.240 nan 0.000 0.442 720 G N 3.951 112.762 108.800 0.018 0.000 2.596 720 G HA2 -0.332 3.630 3.960 0.002 0.000 0.304 720 G HA3 -0.332 3.630 3.960 0.002 0.000 0.304 720 G C 0.241 175.154 174.900 0.021 0.000 1.189 720 G CA 0.626 45.736 45.100 0.018 0.000 0.986 720 G HN 0.830 nan 8.290 nan 0.000 0.548 721 N N 0.341 119.052 118.700 0.018 0.000 2.291 721 N HA 0.431 5.172 4.740 0.002 0.000 0.244 721 N C -0.230 175.289 175.510 0.016 0.000 1.216 721 N CA 0.775 53.835 53.050 0.018 0.000 0.879 721 N CB 1.394 39.890 38.487 0.016 0.000 1.167 721 N HN 0.613 nan 8.380 nan 0.000 0.515 722 T N 0.346 114.909 114.554 0.016 0.000 2.824 722 T HA 0.601 4.952 4.350 0.002 0.000 0.280 722 T C -0.735 173.975 174.700 0.017 0.000 0.995 722 T CA -0.467 61.642 62.100 0.014 0.000 1.009 722 T CB 0.476 69.351 68.868 0.012 0.000 0.955 722 T HN -0.008 nan 8.240 nan 0.000 0.452 723 I N 4.347 124.927 120.570 0.017 0.000 2.389 723 I HA 0.280 4.451 4.170 0.002 0.000 0.288 723 I C 0.073 176.201 176.117 0.019 0.000 0.999 723 I CA -0.746 60.565 61.300 0.020 0.000 1.129 723 I CB 2.149 40.161 38.000 0.022 0.000 1.288 723 I HN 0.545 nan 8.210 nan 0.000 0.444 724 T N 5.797 120.361 114.554 0.016 0.000 2.832 724 T HA 0.219 4.570 4.350 0.002 0.000 0.313 724 T C 0.258 174.967 174.700 0.015 0.000 1.035 724 T CA -0.362 61.748 62.100 0.016 0.000 0.950 724 T CB 0.777 69.650 68.868 0.009 0.000 0.984 724 T HN 0.213 nan 8.240 nan 0.000 0.486 725 V N 5.492 125.425 119.914 0.032 0.000 2.153 725 V HA 0.137 4.258 4.120 0.002 0.000 0.250 725 V C 1.254 177.375 176.094 0.045 0.000 1.334 725 V CA -0.678 61.646 62.300 0.040 0.000 1.249 725 V CB -1.237 30.645 31.823 0.099 0.000 1.371 725 V HN 0.992 nan 8.190 nan 0.000 0.498 726 T N 1.055 115.606 114.554 -0.004 0.000 2.907 726 T HA 0.624 4.975 4.350 0.002 0.000 0.298 726 T C 0.543 175.201 174.700 -0.072 0.000 1.017 726 T CA -0.027 62.066 62.100 -0.012 0.000 1.118 726 T CB 1.896 70.747 68.868 -0.028 0.000 0.948 726 T HN 0.558 nan 8.240 nan 0.000 0.531 727 G N 0.446 109.224 108.800 -0.037 0.000 2.887 727 G HA2 0.883 4.845 3.960 0.002 0.000 0.277 727 G HA3 0.883 4.845 3.960 0.002 0.000 0.277 727 G C -0.875 173.935 174.900 -0.149 0.000 1.346 727 G CA -0.681 44.331 45.100 -0.147 0.000 1.058 727 G HN 1.320 nan 8.290 nan 0.000 0.535 728 A N -3.009 119.669 122.820 -0.238 0.000 2.410 728 A HA 0.865 5.186 4.320 0.002 0.000 0.300 728 A C 0.554 178.097 177.584 -0.068 0.000 1.077 728 A CA 0.579 52.543 52.037 -0.122 0.000 0.610 728 A CB 0.216 19.123 19.000 -0.156 0.000 1.371 728 A HN 2.712 nan 8.150 nan 0.000 0.510 729 G N -0.471 108.355 108.800 0.044 0.000 2.591 729 G HA2 0.161 4.122 3.960 0.002 0.000 0.278 729 G HA3 0.161 4.122 3.960 0.002 0.000 0.278 729 G C -0.048 175.076 174.900 0.374 0.000 1.293 729 G CA 0.694 45.902 45.100 0.179 0.000 0.930 729 G HN 1.695 nan 8.290 nan 0.000 0.562 730 E N 0.324 120.793 120.200 0.449 0.000 2.256 730 E HA 0.655 5.006 4.350 0.002 0.000 0.268 730 E C -0.494 176.100 176.600 -0.010 0.000 0.877 730 E CA -0.070 56.486 56.400 0.260 0.000 0.757 730 E CB 1.388 31.167 29.700 0.132 0.000 1.183 730 E HN 1.957 nan 8.360 nan 0.000 0.418 731 A N 3.850 126.443 122.820 -0.378 0.000 2.582 731 A HA 0.625 4.946 4.320 0.002 0.000 0.297 731 A C -1.577 175.858 177.584 -0.248 0.000 1.059 731 A CA -0.878 50.780 52.037 -0.631 0.000 0.705 731 A CB 1.348 19.461 19.000 -1.479 0.000 1.279 731 A HN 0.392 nan 8.150 nan 0.000 0.404 732 K N 1.176 121.502 120.400 -0.124 0.000 2.318 732 K HA 0.584 4.905 4.320 0.002 0.000 0.249 732 K C -0.506 176.138 176.600 0.074 0.000 0.942 732 K CA -0.831 55.463 56.287 0.012 0.000 0.808 732 K CB 1.277 33.743 32.500 -0.057 0.000 1.189 732 K HN 0.788 nan 8.250 nan 0.000 0.428 733 N N 0.536 119.245 118.700 0.014 0.000 2.754 733 N HA -0.145 4.596 4.740 0.002 0.000 0.248 733 N C -0.710 174.842 175.510 0.071 0.000 1.093 733 N CA 0.894 53.931 53.050 -0.021 0.000 0.699 733 N CB -0.991 37.493 38.487 -0.004 0.000 1.016 733 N HN 0.669 nan 8.380 nan 0.000 0.552 734 W N -0.239 121.077 121.300 0.027 0.000 2.332 734 W HA 0.743 5.404 4.660 0.002 0.000 0.351 734 W C 0.186 176.790 176.519 0.141 0.000 1.195 734 W CA -0.163 57.253 57.345 0.118 0.000 1.334 734 W CB 0.244 29.899 29.460 0.326 0.000 1.206 734 W HN 0.113 nan 8.180 nan 0.000 0.637 735 T N -0.041 114.802 114.554 0.481 0.000 2.921 735 T HA 0.527 4.878 4.350 0.002 0.000 0.297 735 T C -1.263 173.680 174.700 0.404 0.000 1.013 735 T CA -0.851 61.411 62.100 0.269 0.000 0.990 735 T CB 1.952 70.876 68.868 0.093 0.000 1.023 735 T HN 0.606 nan 8.240 nan 0.000 0.447 736 L N 3.091 124.503 121.223 0.315 0.000 2.262 736 L HA 0.569 4.910 4.340 0.002 0.000 0.288 736 L C -0.408 176.481 176.870 0.031 0.000 1.035 736 L CA -0.852 54.141 54.840 0.254 0.000 0.820 736 L CB 0.402 42.629 42.059 0.279 0.000 1.204 736 L HN 1.051 nan 8.230 nan 0.000 0.424 737 C N 7.007 126.227 119.300 -0.134 0.000 2.239 737 C HA 0.352 4.813 4.460 0.002 0.000 0.325 737 C C 0.243 175.134 174.990 -0.165 0.000 1.231 737 C CA -1.059 57.830 59.018 -0.214 0.000 1.652 737 C CB -0.315 27.146 27.740 -0.466 0.000 2.284 737 C HN 0.611 nan 8.230 nan 0.000 0.499 738 L N 7.731 128.899 121.223 -0.091 0.000 2.433 738 L HA 0.294 4.635 4.340 0.002 0.000 0.284 738 L C 0.855 177.668 176.870 -0.096 0.000 1.120 738 L CA 0.633 55.425 54.840 -0.080 0.000 0.879 738 L CB -0.480 41.559 42.059 -0.034 0.000 1.232 738 L HN 0.656 nan 8.230 nan 0.000 0.454 739 R N 4.271 124.666 120.500 -0.176 0.000 2.484 739 R HA 0.003 4.344 4.340 0.002 0.000 0.293 739 R C 0.576 176.855 176.300 -0.035 0.000 1.023 739 R CA -0.094 55.919 56.100 -0.146 0.000 1.037 739 R CB -0.068 30.022 30.300 -0.350 0.000 0.951 739 R HN 0.510 nan 8.270 nan 0.000 0.418 740 N N 0.203 118.908 118.700 0.009 0.000 2.754 740 N HA -0.161 4.580 4.740 0.002 0.000 0.248 740 N C -1.162 174.361 175.510 0.022 0.000 1.093 740 N CA 0.807 53.876 53.050 0.032 0.000 0.699 740 N CB -0.751 37.770 38.487 0.057 0.000 1.016 740 N HN 0.272 nan 8.380 nan 0.000 0.552 741 V N 1.310 121.230 119.914 0.010 0.000 2.340 741 V HA 0.156 4.277 4.120 0.002 0.000 0.277 741 V C 1.674 177.773 176.094 0.008 0.000 1.017 741 V CA -0.439 61.866 62.300 0.008 0.000 0.820 741 V CB 1.590 33.413 31.823 0.000 0.000 1.028 741 V HN 0.125 nan 8.190 nan 0.000 0.436 742 V N 2.165 122.087 119.914 0.013 0.000 2.427 742 V HA 0.038 4.159 4.120 0.002 0.000 0.248 742 V C 0.755 176.855 176.094 0.009 0.000 1.051 742 V CA 1.440 63.748 62.300 0.013 0.000 1.048 742 V CB -0.868 30.964 31.823 0.016 0.000 0.666 742 V HN 0.865 nan 8.190 nan 0.000 0.456 743 K N -0.778 119.627 120.400 0.008 0.000 2.533 743 K HA 0.788 5.109 4.320 0.002 0.000 0.272 743 K C -1.655 174.949 176.600 0.006 0.000 0.985 743 K CA -0.780 55.511 56.287 0.006 0.000 0.876 743 K CB 2.691 35.195 32.500 0.006 0.000 1.452 743 K HN -0.022 nan 8.250 nan 0.000 0.439 744 V N 0.636 120.552 119.914 0.004 0.000 3.102 744 V HA 0.247 4.368 4.120 0.002 0.000 0.312 744 V C 0.234 176.330 176.094 0.004 0.000 1.135 744 V CA -1.029 61.274 62.300 0.005 0.000 1.022 744 V CB 1.902 33.727 31.823 0.004 0.000 1.056 744 V HN 0.884 nan 8.190 nan 0.000 0.436 745 N N 1.073 119.776 118.700 0.005 0.000 2.178 745 N HA 0.080 4.821 4.740 0.002 0.000 0.189 745 N C 0.592 176.104 175.510 0.003 0.000 1.048 745 N CA 1.411 54.463 53.050 0.005 0.000 0.855 745 N CB 0.051 38.541 38.487 0.006 0.000 1.028 745 N HN 0.870 nan 8.380 nan 0.000 0.441 746 G N 0.324 109.126 108.800 0.004 0.000 2.452 746 G HA2 0.564 4.526 3.960 0.002 0.000 0.324 746 G HA3 0.564 4.526 3.960 0.002 0.000 0.324 746 G C -1.594 173.307 174.900 0.002 0.000 1.214 746 G CA -0.186 44.916 45.100 0.003 0.000 0.947 746 G HN 0.171 nan 8.290 nan 0.000 0.478 747 L N 1.435 122.657 121.223 -0.000 0.000 2.518 747 L HA 0.410 4.752 4.340 0.002 0.000 0.262 747 L C 0.207 177.075 176.870 -0.004 0.000 0.982 747 L CA -0.505 54.334 54.840 -0.002 0.000 0.873 747 L CB 1.243 43.299 42.059 -0.005 0.000 1.198 747 L HN 0.642 nan 8.230 nan 0.000 0.427 748 Q N 1.350 121.149 119.800 -0.001 0.000 2.544 748 Q HA 0.083 4.424 4.340 0.002 0.000 0.194 748 Q C -0.220 175.775 176.000 -0.008 0.000 1.104 748 Q CA -0.340 55.462 55.803 -0.003 0.000 1.131 748 Q CB 0.366 29.105 28.738 0.003 0.000 1.210 748 Q HN 0.609 nan 8.270 nan 0.000 0.639 749 D N 0.246 120.640 120.400 -0.010 0.000 8.139 749 D HA -0.157 4.484 4.640 0.002 0.000 0.164 749 D C -0.833 175.446 176.300 -0.034 0.000 1.327 749 D CA 1.206 55.194 54.000 -0.019 0.000 0.890 749 D CB -0.821 39.972 40.800 -0.011 0.000 1.703 749 D HN 0.635 nan 8.370 nan 0.000 0.970 750 G N 0.909 109.683 108.800 -0.042 0.000 2.402 750 G HA2 0.306 4.268 3.960 0.002 0.000 0.301 750 G HA3 0.306 4.268 3.960 0.002 0.000 0.301 750 G C -0.763 174.106 174.900 -0.052 0.000 1.615 750 G CA 0.051 45.114 45.100 -0.061 0.000 0.889 750 G HN 0.359 nan 8.290 nan 0.000 0.647 751 S N -0.326 115.336 115.700 -0.065 0.000 2.646 751 S HA 0.820 5.291 4.470 0.002 0.000 0.273 751 S C 0.132 174.707 174.600 -0.040 0.000 1.168 751 S CA -0.062 58.108 58.200 -0.050 0.000 1.013 751 S CB 1.182 64.347 63.200 -0.058 0.000 1.098 751 S HN 0.686 nan 8.310 nan 0.000 0.544 752 Q N -0.896 118.885 119.800 -0.032 0.000 2.534 752 Q HA 0.686 5.027 4.340 0.002 0.000 0.290 752 Q C -1.897 174.091 176.000 -0.019 0.000 0.991 752 Q CA -0.945 54.845 55.803 -0.023 0.000 0.783 752 Q CB 2.230 30.958 28.738 -0.016 0.000 1.470 752 Q HN 0.898 nan 8.270 nan 0.000 0.406 753 A N 1.513 124.325 122.820 -0.014 0.000 2.540 753 A HA 0.252 4.573 4.320 0.002 0.000 0.315 753 A C -1.425 176.157 177.584 -0.004 0.000 1.037 753 A CA -0.739 51.292 52.037 -0.009 0.000 0.940 753 A CB 0.721 19.714 19.000 -0.011 0.000 1.262 753 A HN 0.637 nan 8.150 nan 0.000 0.377 754 E N 1.376 121.577 120.200 0.001 0.000 2.392 754 E HA 0.415 4.767 4.350 0.002 0.000 0.264 754 E C 0.696 177.304 176.600 0.013 0.000 1.024 754 E CA 0.594 56.998 56.400 0.007 0.000 0.903 754 E CB 0.813 30.519 29.700 0.010 0.000 0.963 754 E HN 0.810 nan 8.360 nan 0.000 0.432 755 S N 1.514 117.225 115.700 0.019 0.000 2.638 755 S HA 0.178 4.649 4.470 0.002 0.000 0.302 755 S C 0.962 175.588 174.600 0.044 0.000 1.096 755 S CA -0.930 57.288 58.200 0.031 0.000 0.953 755 S CB 1.870 65.089 63.200 0.032 0.000 1.107 755 S HN 0.601 nan 8.310 nan 0.000 0.503 756 E N 0.113 120.347 120.200 0.056 0.000 2.245 756 E HA -0.260 4.091 4.350 0.002 0.000 0.217 756 E C 0.120 176.764 176.600 0.073 0.000 1.069 756 E CA 1.993 58.434 56.400 0.067 0.000 0.877 756 E CB 0.003 29.755 29.700 0.085 0.000 0.757 756 E HN 0.683 nan 8.360 nan 0.000 0.464 757 Q N -1.471 118.376 119.800 0.078 0.000 3.429 757 Q HA 0.424 4.765 4.340 0.002 0.000 0.190 757 Q C -1.094 174.946 176.000 0.067 0.000 0.807 757 Q CA 0.488 56.338 55.803 0.077 0.000 0.854 757 Q CB 0.894 29.694 28.738 0.102 0.000 1.481 757 Q HN 0.236 nan 8.270 nan 0.000 0.463 758 G N 1.799 110.623 108.800 0.039 0.000 2.316 758 G HA2 0.204 4.166 3.960 0.002 0.000 0.468 758 G HA3 0.204 4.166 3.960 0.002 0.000 0.468 758 G C -2.274 172.626 174.900 0.000 0.000 1.523 758 G CA -0.878 44.229 45.100 0.013 0.000 0.972 758 G HN 0.428 nan 8.290 nan 0.000 0.667 759 L N 2.105 123.321 121.223 -0.013 0.000 2.260 759 L HA 0.662 5.003 4.340 0.002 0.000 0.289 759 L C 0.285 177.140 176.870 -0.025 0.000 1.057 759 L CA -0.431 54.401 54.840 -0.012 0.000 0.811 759 L CB 0.874 42.928 42.059 -0.008 0.000 1.184 759 L HN 0.445 nan 8.230 nan 0.000 0.429 760 V N 6.110 126.010 119.914 -0.022 0.000 2.546 760 V HA 0.302 4.423 4.120 0.002 0.000 0.284 760 V C 0.220 176.302 176.094 -0.020 0.000 1.050 760 V CA -0.562 61.721 62.300 -0.027 0.000 0.981 760 V CB 1.683 33.492 31.823 -0.024 0.000 0.990 760 V HN 0.533 nan 8.190 nan 0.000 0.474 761 V N 5.071 124.977 119.914 -0.013 0.000 2.380 761 V HA 0.299 4.420 4.120 0.002 0.000 0.272 761 V C 0.099 176.159 176.094 -0.057 0.000 1.011 761 V CA -0.781 61.505 62.300 -0.023 0.000 0.826 761 V CB 1.140 32.961 31.823 -0.003 0.000 1.040 761 V HN 0.883 nan 8.190 nan 0.000 0.441 762 K N 5.795 126.137 120.400 -0.096 0.000 2.297 762 K HA 0.385 4.707 4.320 0.002 0.000 0.286 762 K C -2.574 173.884 176.600 -0.238 0.000 1.053 762 K CA -1.705 54.468 56.287 -0.190 0.000 0.940 762 K CB 1.266 33.675 32.500 -0.151 0.000 1.019 762 K HN 0.281 nan 8.250 nan 0.000 0.475 763 P HA -0.039 nan 4.420 nan 0.000 0.267 763 P C -0.861 176.305 177.300 -0.222 0.000 1.209 763 P CA 0.103 63.013 63.100 -0.317 0.000 0.763 763 P CB 0.569 31.973 31.700 -0.494 0.000 0.816 764 Q N 2.595 122.315 119.800 -0.133 0.000 2.225 764 Q HA 0.420 4.762 4.340 0.002 0.000 0.222 764 Q C 0.532 176.487 176.000 -0.075 0.000 0.887 764 Q CA -0.310 55.436 55.803 -0.096 0.000 0.958 764 Q CB -0.116 28.582 28.738 -0.066 0.000 1.058 764 Q HN 0.504 nan 8.270 nan 0.000 0.459 765 G N 0.524 109.272 108.800 -0.086 0.000 2.403 765 G HA2 0.020 3.981 3.960 0.002 0.000 0.223 765 G HA3 0.020 3.981 3.960 0.002 0.000 0.223 765 G C -1.796 173.088 174.900 -0.026 0.000 1.287 765 G CA -0.933 44.139 45.100 -0.045 0.000 0.982 765 G HN 0.184 nan 8.290 nan 0.000 0.471 766 N N 0.137 118.847 118.700 0.016 0.000 2.519 766 N HA 0.714 5.455 4.740 0.002 0.000 0.286 766 N C -0.059 175.480 175.510 0.048 0.000 1.079 766 N CA 0.629 53.713 53.050 0.057 0.000 0.878 766 N CB 1.906 40.457 38.487 0.106 0.000 1.375 766 N HN 1.754 nan 8.380 nan 0.000 0.514 767 A N 1.993 124.842 122.820 0.048 0.000 2.265 767 A HA 0.001 4.322 4.320 0.002 0.000 0.224 767 A C -0.687 176.915 177.584 0.031 0.000 2.885 767 A CA -0.655 51.403 52.037 0.036 0.000 1.763 767 A CB -1.067 17.946 19.000 0.022 0.000 0.191 767 A HN 0.555 nan 8.150 nan 0.000 0.698 768 L N 1.703 122.952 121.223 0.044 0.000 2.534 768 L HA 0.449 4.790 4.340 0.002 0.000 0.271 768 L C -0.448 176.444 176.870 0.036 0.000 1.178 768 L CA 1.103 55.965 54.840 0.038 0.000 0.907 768 L CB 0.664 42.760 42.059 0.062 0.000 1.164 768 L HN 0.401 nan 8.230 nan 0.000 0.482 769 T N 6.338 120.905 114.554 0.023 0.000 2.991 769 T HA 0.535 4.886 4.350 0.002 0.000 0.303 769 T C -0.443 174.266 174.700 0.015 0.000 1.015 769 T CA -0.366 61.746 62.100 0.019 0.000 1.007 769 T CB 1.268 70.144 68.868 0.014 0.000 1.034 769 T HN 0.355 nan 8.240 nan 0.000 0.446 770 I N 2.732 123.312 120.570 0.017 0.000 2.693 770 I HA 0.626 4.797 4.170 0.002 0.000 0.303 770 I C 0.066 176.191 176.117 0.012 0.000 1.025 770 I CA -0.957 60.351 61.300 0.013 0.000 1.086 770 I CB 2.335 40.344 38.000 0.015 0.000 1.268 770 I HN 0.668 nan 8.210 nan 0.000 0.440 771 T N 3.199 117.759 114.554 0.010 0.000 3.008 771 T HA 0.454 4.806 4.350 0.002 0.000 0.328 771 T C -0.195 174.511 174.700 0.010 0.000 1.020 771 T CA -0.858 61.248 62.100 0.010 0.000 1.043 771 T CB 0.519 69.392 68.868 0.009 0.000 1.010 771 T HN 0.137 nan 8.240 nan 0.000 0.466 772 L N 0.000 121.230 121.223 0.011 0.000 2.949 772 L HA 0.000 4.341 4.340 0.002 0.000 0.249 772 L CA 0.000 54.846 54.840 0.011 0.000 0.813 772 L CB 0.000 42.067 42.059 0.013 0.000 0.961 772 L HN 0.000 nan 8.230 nan 0.000 0.502