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 2j9g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK XXFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 L N 3.834 125.059 121.223 0.003 0.000 2.410 2 L HA 0.089 4.429 4.340 -0.001 0.000 0.273 2 L C 0.903 177.781 176.870 0.014 0.000 1.144 2 L CA 0.094 54.940 54.840 0.009 0.000 0.863 2 L CB 0.451 42.516 42.059 0.010 0.000 1.140 2 L HN 0.772 nan 8.230 nan 0.000 0.463 3 D N 2.552 122.962 120.400 0.018 0.000 2.097 3 D HA -0.116 4.524 4.640 -0.001 0.000 0.195 3 D C 0.533 176.846 176.300 0.022 0.000 0.989 3 D CA 1.530 55.542 54.000 0.019 0.000 0.827 3 D CB 0.400 41.213 40.800 0.021 0.000 0.966 3 D HN 0.466 nan 8.370 nan 0.000 0.456 4 K N -0.511 119.908 120.400 0.030 0.000 2.557 4 K HA 0.360 4.679 4.320 -0.001 0.000 0.257 4 K C -1.651 174.970 176.600 0.036 0.000 0.933 4 K CA -0.804 55.502 56.287 0.031 0.000 0.820 4 K CB 1.218 33.739 32.500 0.034 0.000 1.330 4 K HN 0.168 nan 8.250 nan 0.000 0.432 5 I N 0.205 120.791 120.570 0.026 0.000 2.828 5 I HA 0.545 4.714 4.170 -0.001 0.000 0.302 5 I C -1.110 175.014 176.117 0.012 0.000 1.101 5 I CA -1.075 60.239 61.300 0.023 0.000 1.031 5 I CB 2.206 40.223 38.000 0.028 0.000 1.231 5 I HN 0.178 nan 8.210 nan 0.000 0.427 6 V N 5.873 125.784 119.914 -0.005 0.000 2.432 6 V HA 0.327 4.446 4.120 -0.001 0.000 0.275 6 V C 0.341 176.448 176.094 0.021 0.000 1.043 6 V CA -0.267 62.030 62.300 -0.006 0.000 0.925 6 V CB 1.162 32.956 31.823 -0.048 0.000 0.985 6 V HN 0.508 nan 8.190 nan 0.000 0.466 7 I N 4.669 125.253 120.570 0.022 0.000 2.269 7 I HA 0.316 4.485 4.170 -0.001 0.000 0.293 7 I C 0.911 177.024 176.117 -0.006 0.000 1.106 7 I CA -0.066 61.228 61.300 -0.010 0.000 1.248 7 I CB 0.964 38.936 38.000 -0.046 0.000 1.444 7 I HN 0.689 nan 8.210 nan 0.000 0.497 8 A N 6.260 129.086 122.820 0.010 0.000 3.118 8 A HA 0.352 4.671 4.320 -0.001 0.000 0.256 8 A C 0.146 177.672 177.584 -0.097 0.000 1.667 8 A CA -0.005 52.037 52.037 0.008 0.000 1.338 8 A CB -0.525 18.535 19.000 0.100 0.000 1.127 8 A HN 0.782 nan 8.150 nan 0.000 0.634 9 N N 0.095 118.676 118.700 -0.198 0.000 3.441 9 N HA 0.419 5.159 4.740 -0.001 0.000 0.313 9 N C -1.026 174.144 175.510 -0.565 0.000 1.526 9 N CA -0.359 52.421 53.050 -0.449 0.000 0.871 9 N CB 1.235 39.500 38.487 -0.370 0.000 1.779 9 N HN 0.663 nan 8.380 nan 0.000 0.529 10 R N -0.958 119.140 120.500 -0.670 0.000 2.781 10 R HA 0.693 5.032 4.340 -0.001 0.000 0.268 10 R C 0.499 176.460 176.300 -0.566 0.000 1.047 10 R CA -0.053 55.682 56.100 -0.607 0.000 0.925 10 R CB 0.253 30.032 30.300 -0.867 0.000 1.246 10 R HN 0.697 nan 8.270 nan 0.000 0.456 11 G N 1.060 109.511 108.800 -0.582 0.000 2.566 11 G HA2 -0.458 3.502 3.960 -0.001 0.000 0.280 11 G HA3 -0.458 3.502 3.960 -0.001 0.000 0.280 11 G C 0.647 175.183 174.900 -0.607 0.000 1.225 11 G CA 1.034 45.583 45.100 -0.919 0.000 0.966 11 G HN 1.010 nan 8.290 nan 0.000 0.560 12 E N -0.287 119.743 120.200 -0.284 0.000 2.072 12 E HA 0.074 4.423 4.350 -0.001 0.000 0.191 12 E C 2.491 178.988 176.600 -0.172 0.000 0.985 12 E CA 1.985 58.335 56.400 -0.083 0.000 0.801 12 E CB -0.196 29.505 29.700 0.002 0.000 0.750 12 E HN 0.767 nan 8.360 nan 0.000 0.452 13 I N 0.981 121.409 120.570 -0.238 0.000 2.315 13 I HA -0.049 4.120 4.170 -0.001 0.000 0.248 13 I C 2.212 178.088 176.117 -0.402 0.000 1.117 13 I CA 1.223 62.343 61.300 -0.299 0.000 1.404 13 I CB -0.707 36.919 38.000 -0.623 0.000 1.071 13 I HN 0.247 nan 8.210 nan 0.000 0.419 14 A N 0.024 122.523 122.820 -0.535 0.000 1.902 14 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 14 A C 2.225 179.478 177.584 -0.552 0.000 1.181 14 A CA 1.927 53.531 52.037 -0.721 0.000 0.623 14 A CB -1.077 17.128 19.000 -1.325 0.000 0.818 14 A HN 0.477 nan 8.150 nan 0.000 0.443 15 L N -0.276 120.720 121.223 -0.377 0.000 2.056 15 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 15 L C 2.365 179.169 176.870 -0.111 0.000 1.078 15 L CA 2.386 57.146 54.840 -0.133 0.000 0.749 15 L CB -0.713 41.313 42.059 -0.055 0.000 0.901 15 L HN 0.414 nan 8.230 nan 0.000 0.433 16 R N 0.122 120.544 120.500 -0.129 0.000 2.096 16 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 16 R C 2.128 178.365 176.300 -0.105 0.000 1.139 16 R CA 2.374 58.428 56.100 -0.076 0.000 0.952 16 R CB -0.838 29.449 30.300 -0.020 0.000 0.854 16 R HN 0.520 nan 8.270 nan 0.000 0.436 17 I N 0.132 120.580 120.570 -0.203 0.000 2.252 17 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 17 I C 2.319 178.357 176.117 -0.132 0.000 1.102 17 I CA 0.992 62.148 61.300 -0.239 0.000 1.385 17 I CB -0.276 37.458 38.000 -0.443 0.000 1.064 17 I HN 0.228 nan 8.210 nan 0.000 0.414 18 L N 0.800 121.960 121.223 -0.106 0.000 2.042 18 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 18 L C 2.813 179.671 176.870 -0.020 0.000 1.076 18 L CA 1.672 56.492 54.840 -0.032 0.000 0.749 18 L CB -0.300 41.771 42.059 0.021 0.000 0.893 18 L HN 0.114 nan 8.230 nan 0.000 0.432 19 R N -0.267 120.219 120.500 -0.024 0.000 2.073 19 R HA -0.162 4.177 4.340 -0.001 0.000 0.234 19 R C 2.356 178.651 176.300 -0.007 0.000 1.134 19 R CA 1.386 57.481 56.100 -0.008 0.000 0.952 19 R CB -0.723 29.575 30.300 -0.004 0.000 0.850 19 R HN 0.562 nan 8.270 nan 0.000 0.433 20 A N 0.828 123.639 122.820 -0.015 0.000 1.908 20 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 20 A C 2.487 180.068 177.584 -0.004 0.000 1.181 20 A CA 1.674 53.706 52.037 -0.008 0.000 0.627 20 A CB -0.933 18.059 19.000 -0.014 0.000 0.818 20 A HN 0.470 nan 8.150 nan 0.000 0.445 21 C N -0.724 118.571 119.300 -0.010 0.000 2.432 21 C HA -0.087 4.372 4.460 -0.001 0.000 0.277 21 C C 2.740 177.732 174.990 0.002 0.000 1.249 21 C CA 1.273 60.290 59.018 -0.001 0.000 1.725 21 C CB -1.012 26.726 27.740 -0.002 0.000 2.028 21 C HN 0.603 nan 8.230 nan 0.000 0.477 22 K N 0.637 121.037 120.400 0.001 0.000 2.032 22 K HA -0.194 4.125 4.320 -0.001 0.000 0.209 22 K C 1.891 178.494 176.600 0.005 0.000 1.048 22 K CA 1.577 57.866 56.287 0.004 0.000 0.927 22 K CB -0.337 32.166 32.500 0.004 0.000 0.712 22 K HN 0.619 nan 8.250 nan 0.000 0.441 23 E N 0.645 120.847 120.200 0.005 0.000 2.118 23 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 23 E C 1.796 178.399 176.600 0.005 0.000 0.992 23 E CA 0.985 57.389 56.400 0.006 0.000 0.804 23 E CB -0.042 29.662 29.700 0.007 0.000 0.741 23 E HN 0.255 nan 8.360 nan 0.000 0.458 24 L N -0.672 120.554 121.223 0.005 0.000 2.591 24 L HA 0.145 4.484 4.340 -0.001 0.000 0.228 24 L C 1.268 178.141 176.870 0.005 0.000 1.133 24 L CA 0.290 55.133 54.840 0.004 0.000 0.880 24 L CB 0.192 42.254 42.059 0.004 0.000 1.033 24 L HN 0.303 nan 8.230 nan 0.000 0.450 25 G N 1.010 109.813 108.800 0.005 0.000 2.136 25 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.242 25 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.242 25 G C 0.164 175.068 174.900 0.006 0.000 0.989 25 G CA -0.203 44.900 45.100 0.005 0.000 0.682 25 G HN 0.295 nan 8.290 nan 0.000 0.522 26 I N 0.909 121.483 120.570 0.007 0.000 2.371 26 I HA 0.255 4.424 4.170 -0.001 0.000 0.290 26 I C 0.867 176.990 176.117 0.010 0.000 1.028 26 I CA -0.598 60.708 61.300 0.009 0.000 1.345 26 I CB 0.960 38.966 38.000 0.010 0.000 1.407 26 I HN -0.005 nan 8.210 nan 0.000 0.501 27 K N 4.339 124.747 120.400 0.012 0.000 2.382 27 K HA 0.209 4.528 4.320 -0.001 0.000 0.275 27 K C 0.131 176.740 176.600 0.015 0.000 1.009 27 K CA -0.107 56.188 56.287 0.013 0.000 0.970 27 K CB 0.447 32.956 32.500 0.014 0.000 0.934 27 K HN 0.677 nan 8.250 nan 0.000 0.479 28 T N -1.831 112.731 114.554 0.014 0.000 2.856 28 T HA 0.500 4.849 4.350 -0.001 0.000 0.283 28 T C -0.420 174.292 174.700 0.020 0.000 1.008 28 T CA -0.977 61.135 62.100 0.019 0.000 0.997 28 T CB 1.278 70.160 68.868 0.024 0.000 0.992 28 T HN 0.149 nan 8.240 nan 0.000 0.454 29 V N 2.136 122.064 119.914 0.023 0.000 2.376 29 V HA 0.676 4.796 4.120 -0.001 0.000 0.287 29 V C 0.346 176.467 176.094 0.045 0.000 1.015 29 V CA -1.070 61.243 62.300 0.022 0.000 0.834 29 V CB 1.074 32.900 31.823 0.005 0.000 1.001 29 V HN 1.250 nan 8.190 nan 0.000 0.428 30 A N 5.445 128.298 122.820 0.056 0.000 2.343 30 A HA 0.636 4.955 4.320 -0.001 0.000 0.305 30 A C 0.074 177.739 177.584 0.134 0.000 1.308 30 A CA -0.391 51.710 52.037 0.107 0.000 0.949 30 A CB 0.328 19.293 19.000 -0.058 0.000 1.148 30 A HN 1.216 nan 8.150 nan 0.000 0.545 31 V N 2.432 122.410 119.914 0.107 0.000 2.530 31 V HA 0.737 4.856 4.120 -0.001 0.000 0.282 31 V C -0.287 175.870 176.094 0.105 0.000 1.048 31 V CA -0.189 62.121 62.300 0.017 0.000 0.997 31 V CB 0.009 31.802 31.823 -0.049 0.000 0.987 31 V HN 1.073 nan 8.190 nan 0.000 0.477 32 H N 1.501 120.532 119.070 -0.064 0.000 3.016 32 H HA 0.780 5.336 4.556 -0.001 0.000 0.362 32 H C -0.178 175.006 175.328 -0.240 0.000 1.233 32 H CA -0.189 55.828 56.048 -0.051 0.000 1.124 32 H CB 1.093 30.874 29.762 0.031 0.000 1.850 32 H HN 0.913 nan 8.280 nan 0.000 0.549 33 S N 0.453 116.021 115.700 -0.221 0.000 2.624 33 S HA 0.111 4.580 4.470 -0.001 0.000 0.263 33 S C 1.202 175.851 174.600 0.081 0.000 1.287 33 S CA -0.110 57.967 58.200 -0.205 0.000 0.990 33 S CB 0.902 64.022 63.200 -0.134 0.000 0.950 33 S HN 1.045 nan 8.310 nan 0.000 0.561 34 S N 0.653 116.355 115.700 0.004 0.000 2.447 34 S HA -0.008 4.461 4.470 -0.001 0.000 0.233 34 S C 1.650 176.318 174.600 0.114 0.000 1.006 34 S CA 0.471 58.712 58.200 0.068 0.000 0.957 34 S CB -0.900 62.298 63.200 -0.004 0.000 0.773 34 S HN 1.125 nan 8.310 nan 0.000 0.507 35 A N 0.773 123.661 122.820 0.114 0.000 2.238 35 A HA 0.198 4.517 4.320 -0.001 0.000 0.208 35 A C 1.070 178.821 177.584 0.279 0.000 1.177 35 A CA 0.540 52.689 52.037 0.187 0.000 0.804 35 A CB -0.044 19.047 19.000 0.151 0.000 0.823 35 A HN 0.378 nan 8.150 nan 0.000 0.482 36 D N -0.944 119.623 120.400 0.278 0.000 2.538 36 D HA 0.166 4.805 4.640 -0.001 0.000 0.231 36 D C 1.400 177.728 176.300 0.048 0.000 1.229 36 D CA -0.068 54.081 54.000 0.249 0.000 0.828 36 D CB 0.122 41.105 40.800 0.306 0.000 1.035 36 D HN 0.338 nan 8.370 nan 0.000 0.495 37 R N 0.260 120.769 120.500 0.015 0.000 2.152 37 R HA -0.054 4.285 4.340 -0.001 0.000 0.232 37 R C 0.360 176.603 176.300 -0.096 0.000 1.117 37 R CA 0.901 56.892 56.100 -0.182 0.000 0.981 37 R CB 0.228 30.520 30.300 -0.013 0.000 0.870 37 R HN 0.030 nan 8.270 nan 0.000 0.451 38 D N 0.238 120.689 120.400 0.086 0.000 2.340 38 D HA 0.082 4.721 4.640 -0.001 0.000 0.217 38 D C 0.197 176.684 176.300 0.311 0.000 1.081 38 D CA 0.062 54.191 54.000 0.215 0.000 0.842 38 D CB 0.209 41.204 40.800 0.324 0.000 0.934 38 D HN 0.105 nan 8.370 nan 0.000 0.511 39 L N 1.351 122.681 121.223 0.178 0.000 2.525 39 L HA -0.038 4.301 4.340 -0.001 0.000 0.278 39 L C 2.046 178.950 176.870 0.058 0.000 1.218 39 L CA 0.122 55.031 54.840 0.116 0.000 0.878 39 L CB 0.873 42.969 42.059 0.061 0.000 1.127 39 L HN -0.107 nan 8.230 nan 0.000 0.492 40 K N 2.523 122.993 120.400 0.116 0.000 2.044 40 K HA -0.251 4.068 4.320 -0.001 0.000 0.210 40 K C 2.108 178.711 176.600 0.006 0.000 1.049 40 K CA 1.980 58.307 56.287 0.067 0.000 0.927 40 K CB -0.107 32.455 32.500 0.103 0.000 0.713 40 K HN 0.834 nan 8.250 nan 0.000 0.443 41 H N -0.358 118.685 119.070 -0.046 0.000 2.423 41 H HA -0.045 4.510 4.556 -0.001 0.000 0.297 41 H C 1.890 177.183 175.328 -0.059 0.000 1.075 41 H CA 1.339 57.351 56.048 -0.061 0.000 1.342 41 H CB -0.508 29.201 29.762 -0.089 0.000 1.395 41 H HN 0.074 nan 8.280 nan 0.000 0.530 42 V N 1.998 121.410 119.914 -0.837 0.000 2.295 42 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 42 V C 3.139 179.063 176.094 -0.285 0.000 1.049 42 V CA 1.643 63.578 62.300 -0.608 0.000 1.024 42 V CB -0.667 30.807 31.823 -0.581 0.000 0.648 42 V HN 0.292 nan 8.190 nan 0.000 0.447 43 L N -0.836 120.268 121.223 -0.199 0.000 2.191 43 L HA -0.130 4.210 4.340 -0.001 0.000 0.212 43 L C 2.161 178.973 176.870 -0.096 0.000 1.103 43 L CA 1.278 56.043 54.840 -0.124 0.000 0.769 43 L CB -0.377 41.616 42.059 -0.111 0.000 0.908 43 L HN 0.327 nan 8.230 nan 0.000 0.438 44 L N -0.784 120.387 121.223 -0.087 0.000 2.477 44 L HA 0.202 4.541 4.340 -0.001 0.000 0.220 44 L C 1.394 178.240 176.870 -0.039 0.000 1.106 44 L CA -0.466 54.345 54.840 -0.050 0.000 0.851 44 L CB -0.205 41.839 42.059 -0.024 0.000 0.994 44 L HN 0.090 nan 8.230 nan 0.000 0.462 45 A N 0.198 122.983 122.820 -0.058 0.000 2.425 45 A HA 0.014 4.333 4.320 -0.001 0.000 0.242 45 A C 0.743 178.313 177.584 -0.023 0.000 1.077 45 A CA -0.195 51.823 52.037 -0.031 0.000 0.781 45 A CB 0.215 19.187 19.000 -0.046 0.000 1.020 45 A HN 0.178 nan 8.150 nan 0.000 0.494 46 D N 0.415 120.810 120.400 -0.007 0.000 2.149 46 D HA -0.017 4.622 4.640 -0.001 0.000 0.201 46 D C 0.278 176.576 176.300 -0.003 0.000 0.972 46 D CA 1.388 55.386 54.000 -0.004 0.000 0.835 46 D CB 0.256 41.057 40.800 0.002 0.000 0.966 46 D HN 0.745 nan 8.370 nan 0.000 0.476 47 E N -0.658 119.542 120.200 0.000 0.000 2.367 47 E HA 0.425 4.774 4.350 -0.001 0.000 0.273 47 E C -0.710 175.896 176.600 0.011 0.000 0.903 47 E CA -0.604 55.799 56.400 0.005 0.000 0.764 47 E CB 2.569 32.274 29.700 0.007 0.000 1.252 47 E HN -0.041 nan 8.360 nan 0.000 0.446 48 T N -1.878 112.690 114.554 0.025 0.000 2.893 48 T HA 0.654 5.003 4.350 -0.001 0.000 0.293 48 T C -0.889 173.845 174.700 0.057 0.000 1.027 48 T CA -0.711 61.432 62.100 0.071 0.000 0.988 48 T CB 1.237 70.163 68.868 0.097 0.000 1.043 48 T HN 0.147 nan 8.240 nan 0.000 0.461 49 V N 1.948 121.871 119.914 0.015 0.000 2.525 49 V HA 0.416 4.535 4.120 -0.001 0.000 0.299 49 V C 0.241 176.114 176.094 -0.368 0.000 1.034 49 V CA -1.181 61.054 62.300 -0.107 0.000 0.863 49 V CB 1.418 33.184 31.823 -0.096 0.000 0.999 49 V HN 1.272 nan 8.190 nan 0.000 0.423 50 C N 7.012 126.046 119.300 -0.442 0.000 2.520 50 C HA 0.382 4.842 4.460 -0.001 0.000 0.369 50 C C 1.786 176.548 174.990 -0.380 0.000 1.244 50 C CA -0.311 58.307 59.018 -0.667 0.000 1.677 50 C CB -1.499 26.020 27.740 -0.368 0.000 2.324 50 C HN 0.879 nan 8.230 nan 0.000 0.557 51 I N 4.305 124.635 120.570 -0.400 0.000 3.684 51 I HA 0.466 4.635 4.170 -0.001 0.000 0.304 51 I C 0.953 176.923 176.117 -0.246 0.000 1.278 51 I CA 0.621 61.753 61.300 -0.280 0.000 1.272 51 I CB -0.516 37.317 38.000 -0.279 0.000 1.029 51 I HN 0.754 nan 8.210 nan 0.000 0.458 52 G N 1.409 110.055 108.800 -0.256 0.000 2.343 52 G HA2 0.191 4.151 3.960 -0.001 0.000 0.289 52 G HA3 0.191 4.151 3.960 -0.001 0.000 0.289 52 G C -3.273 171.518 174.900 -0.181 0.000 1.295 52 G CA -0.649 44.336 45.100 -0.192 0.000 0.869 52 G HN -0.063 nan 8.290 nan 0.000 0.522 53 P HA 0.444 nan 4.420 nan 0.000 0.279 53 P C 1.139 178.336 177.300 -0.172 0.000 1.282 53 P CA 0.754 63.772 63.100 -0.136 0.000 0.788 53 P CB 1.013 32.648 31.700 -0.108 0.000 1.139 54 A N 0.086 122.748 122.820 -0.264 0.000 1.908 54 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 54 A C -1.111 176.338 177.584 -0.225 0.000 1.181 54 A CA 1.410 53.192 52.037 -0.424 0.000 0.627 54 A CB -2.615 15.557 19.000 -1.379 0.000 0.818 54 A HN 0.531 nan 8.150 nan 0.000 0.445 55 P HA 0.137 nan 4.420 nan 0.000 0.264 55 P C 0.531 177.880 177.300 0.082 0.000 1.193 55 P CA 0.408 63.503 63.100 -0.008 0.000 0.763 55 P CB 0.917 32.612 31.700 -0.008 0.000 0.810 56 S N 2.061 117.900 115.700 0.232 0.000 2.419 56 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 56 S C 1.884 176.563 174.600 0.131 0.000 1.016 56 S CA 0.826 59.200 58.200 0.289 0.000 0.974 56 S CB -0.634 62.883 63.200 0.529 0.000 0.786 56 S HN 0.411 nan 8.310 nan 0.000 0.492 57 V N 1.420 121.393 119.914 0.097 0.000 2.453 57 V HA -0.131 3.988 4.120 -0.001 0.000 0.252 57 V C 1.595 177.687 176.094 -0.004 0.000 1.068 57 V CA 1.665 63.995 62.300 0.049 0.000 1.070 57 V CB -0.218 31.631 31.823 0.044 0.000 0.664 57 V HN 0.281 nan 8.190 nan 0.000 0.461 58 K N -0.443 119.938 120.400 -0.032 0.000 2.373 58 K HA 0.250 4.569 4.320 -0.001 0.000 0.202 58 K C 1.360 177.871 176.600 -0.149 0.000 1.025 58 K CA 0.784 57.026 56.287 -0.075 0.000 1.115 58 K CB 0.804 33.266 32.500 -0.065 0.000 0.858 58 K HN 0.740 nan 8.250 nan 0.000 0.525 59 S N -1.107 114.474 115.700 -0.199 0.000 3.248 59 S HA 0.076 4.545 4.470 -0.001 0.000 0.173 59 S C 1.492 175.816 174.600 -0.460 0.000 0.749 59 S CA -0.207 57.737 58.200 -0.427 0.000 0.898 59 S CB -0.570 62.248 63.200 -0.637 0.000 1.027 59 S HN 0.067 nan 8.310 nan 0.000 0.781 60 Y N 2.040 122.196 120.300 -0.240 0.000 2.561 60 Y HA 0.424 4.973 4.550 -0.001 0.000 0.291 60 Y C 1.665 177.392 175.900 -0.287 0.000 1.141 60 Y CA 0.241 58.063 58.100 -0.465 0.000 1.303 60 Y CB -0.433 37.334 38.460 -1.155 0.000 1.015 60 Y HN 0.228 nan 8.280 nan 0.000 0.547 61 L N -0.429 120.790 121.223 -0.007 0.000 2.728 61 L HA 0.156 4.495 4.340 -0.001 0.000 0.238 61 L C 0.498 177.319 176.870 -0.081 0.000 1.143 61 L CA -0.149 54.682 54.840 -0.014 0.000 0.937 61 L CB 0.002 42.118 42.059 0.096 0.000 1.225 61 L HN -0.021 nan 8.230 nan 0.000 0.507 62 N N 1.606 120.239 118.700 -0.112 0.000 2.508 62 N HA 0.151 4.890 4.740 -0.001 0.000 0.253 62 N C 0.999 176.462 175.510 -0.077 0.000 1.145 62 N CA 0.170 53.167 53.050 -0.089 0.000 0.973 62 N CB 0.560 38.982 38.487 -0.108 0.000 1.305 62 N HN 0.204 nan 8.380 nan 0.000 0.506 63 I N 4.134 124.686 120.570 -0.031 0.000 2.142 63 I HA -0.168 4.001 4.170 -0.001 0.000 0.240 63 I C -0.676 175.503 176.117 0.103 0.000 1.078 63 I CA 0.937 62.282 61.300 0.075 0.000 1.343 63 I CB -1.004 37.094 38.000 0.165 0.000 1.046 63 I HN 0.391 nan 8.210 nan 0.000 0.405 64 P HA -0.181 nan 4.420 nan 0.000 0.215 64 P C 1.455 178.763 177.300 0.013 0.000 1.153 64 P CA 1.888 65.012 63.100 0.040 0.000 0.853 64 P CB -0.045 31.668 31.700 0.021 0.000 0.788 65 A N -0.971 121.837 122.820 -0.020 0.000 1.930 65 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 65 A C 2.219 179.768 177.584 -0.058 0.000 1.175 65 A CA 1.310 53.315 52.037 -0.053 0.000 0.627 65 A CB -1.535 17.409 19.000 -0.094 0.000 0.815 65 A HN 0.114 nan 8.150 nan 0.000 0.443 66 I N -0.459 120.089 120.570 -0.036 0.000 2.202 66 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 66 I C 2.262 178.359 176.117 -0.032 0.000 1.091 66 I CA 1.170 62.459 61.300 -0.019 0.000 1.368 66 I CB -0.251 37.774 38.000 0.041 0.000 1.058 66 I HN 0.281 nan 8.210 nan 0.000 0.410 67 I N 0.030 120.607 120.570 0.012 0.000 2.226 67 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 67 I C 2.582 178.650 176.117 -0.083 0.000 1.100 67 I CA 1.204 62.462 61.300 -0.071 0.000 1.374 67 I CB -0.293 37.744 38.000 0.062 0.000 1.057 67 I HN 0.145 nan 8.210 nan 0.000 0.413 68 S N 0.829 116.517 115.700 -0.020 0.000 2.370 68 S HA -0.194 4.276 4.470 -0.001 0.000 0.226 68 S C 2.291 176.869 174.600 -0.037 0.000 1.033 68 S CA 1.318 59.514 58.200 -0.006 0.000 1.011 68 S CB -0.418 62.778 63.200 -0.007 0.000 0.852 68 S HN 0.553 nan 8.310 nan 0.000 0.457 69 A N 1.727 124.504 122.820 -0.072 0.000 1.908 69 A HA -0.018 4.301 4.320 -0.001 0.000 0.218 69 A C 2.378 179.902 177.584 -0.101 0.000 1.181 69 A CA 1.898 53.887 52.037 -0.080 0.000 0.627 69 A CB -1.168 17.777 19.000 -0.090 0.000 0.818 69 A HN 0.540 nan 8.150 nan 0.000 0.445 70 A N -0.398 122.293 122.820 -0.215 0.000 1.902 70 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 70 A C 1.930 179.461 177.584 -0.087 0.000 1.181 70 A CA 1.692 53.513 52.037 -0.359 0.000 0.623 70 A CB -0.516 17.826 19.000 -1.096 0.000 0.818 70 A HN 0.658 nan 8.150 nan 0.000 0.443 71 E N -0.642 119.584 120.200 0.042 0.000 2.031 71 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 71 E C 1.953 178.624 176.600 0.119 0.000 0.994 71 E CA 1.197 57.743 56.400 0.242 0.000 0.800 71 E CB -0.263 29.565 29.700 0.212 0.000 0.752 71 E HN 0.680 nan 8.360 nan 0.000 0.447 72 I N 1.315 121.916 120.570 0.053 0.000 2.361 72 I HA -0.222 3.947 4.170 -0.001 0.000 0.251 72 I C 2.262 178.397 176.117 0.031 0.000 1.133 72 I CA 1.586 62.905 61.300 0.032 0.000 1.413 72 I CB -0.003 38.002 38.000 0.008 0.000 1.073 72 I HN 0.193 nan 8.210 nan 0.000 0.424 73 T N -2.286 112.285 114.554 0.028 0.000 3.100 73 T HA 0.210 4.560 4.350 -0.001 0.000 0.253 73 T C 1.414 176.145 174.700 0.051 0.000 1.118 73 T CA 0.350 62.466 62.100 0.027 0.000 1.058 73 T CB -0.014 68.860 68.868 0.010 0.000 0.953 73 T HN 0.558 nan 8.240 nan 0.000 0.515 74 G N 1.588 110.441 108.800 0.089 0.000 2.273 74 G HA2 0.003 3.962 3.960 -0.001 0.000 0.280 74 G HA3 0.003 3.962 3.960 -0.001 0.000 0.280 74 G C 0.226 175.205 174.900 0.133 0.000 1.047 74 G CA -0.086 45.084 45.100 0.117 0.000 0.869 74 G HN 1.140 nan 8.290 nan 0.000 0.502 75 A N -0.985 121.930 122.820 0.158 0.000 2.366 75 A HA 0.750 5.069 4.320 -0.001 0.000 0.249 75 A C 1.660 179.413 177.584 0.282 0.000 1.084 75 A CA 0.515 52.636 52.037 0.140 0.000 0.794 75 A CB 0.942 19.963 19.000 0.034 0.000 1.034 75 A HN 1.619 nan 8.150 nan 0.000 0.491 76 V N -2.290 117.742 119.914 0.197 0.000 3.565 76 V HA 0.605 4.725 4.120 -0.001 0.000 0.260 76 V C 0.669 176.901 176.094 0.230 0.000 1.231 76 V CA 0.902 63.325 62.300 0.206 0.000 1.100 76 V CB -1.028 30.848 31.823 0.087 0.000 0.807 76 V HN 1.573 nan 8.190 nan 0.000 0.454 77 A N -0.063 122.850 122.820 0.156 0.000 2.594 77 A HA 0.876 5.196 4.320 -0.001 0.000 0.291 77 A C -1.266 176.332 177.584 0.022 0.000 1.105 77 A CA -0.678 51.414 52.037 0.091 0.000 0.694 77 A CB 1.763 20.780 19.000 0.029 0.000 1.291 77 A HN 0.275 nan 8.150 nan 0.000 0.410 78 I N 1.582 122.145 120.570 -0.012 0.000 2.478 78 I HA 0.286 4.455 4.170 -0.001 0.000 0.287 78 I C -0.964 175.112 176.117 -0.070 0.000 1.042 78 I CA -0.504 60.788 61.300 -0.013 0.000 1.067 78 I CB 1.915 39.927 38.000 0.019 0.000 1.233 78 I HN 0.715 nan 8.210 nan 0.000 0.431 79 H N 8.656 127.664 119.070 -0.103 0.000 2.594 79 H HA 0.332 4.887 4.556 -0.002 0.000 0.304 79 H C -2.044 173.228 175.328 -0.094 0.000 1.068 79 H CA -2.168 53.786 56.048 -0.155 0.000 1.308 79 H CB 1.971 31.651 29.762 -0.137 0.000 1.409 79 H HN 0.324 nan 8.280 nan 0.000 0.460 80 P HA 0.103 nan 4.420 nan 0.000 0.255 80 P C 0.849 178.245 177.300 0.160 0.000 1.248 80 P CA 0.903 64.128 63.100 0.208 0.000 0.807 80 P CB 0.797 32.672 31.700 0.291 0.000 1.150 81 G N 1.126 110.079 108.800 0.256 0.000 2.574 81 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.286 81 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.286 81 G C -0.552 174.395 174.900 0.078 0.000 1.212 81 G CA 0.551 45.639 45.100 -0.020 0.000 0.979 81 G HN 0.460 nan 8.290 nan 0.000 0.557 82 Y N -1.138 119.205 120.300 0.071 0.000 2.598 82 Y HA 0.703 5.252 4.550 -0.001 0.000 0.340 82 Y C 0.952 176.880 175.900 0.047 0.000 1.038 82 Y CA -0.486 57.651 58.100 0.060 0.000 1.100 82 Y CB 0.890 39.369 38.460 0.032 0.000 1.281 82 Y HN 2.579 nan 8.280 nan 0.000 0.488 83 G N 1.297 110.260 108.800 0.272 0.000 2.645 83 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.246 83 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.246 83 G C 0.055 174.992 174.900 0.061 0.000 1.322 83 G CA 0.428 45.551 45.100 0.038 0.000 0.898 83 G HN 1.346 nan 8.290 nan 0.000 0.573 84 F N -2.109 117.866 119.950 0.043 0.000 2.636 84 F HA -0.321 4.205 4.527 -0.001 0.000 0.222 84 F C 2.297 178.096 175.800 -0.001 0.000 1.471 84 F CA 2.322 60.325 58.000 0.006 0.000 1.965 84 F CB -1.198 37.775 39.000 -0.046 0.000 0.463 84 F HN 0.454 nan 8.300 nan 0.000 0.244 85 L N 0.455 121.789 121.223 0.185 0.000 2.667 85 L HA 0.114 4.453 4.340 -0.001 0.000 0.232 85 L C 1.927 178.966 176.870 0.281 0.000 1.138 85 L CA 0.628 55.503 54.840 0.058 0.000 0.921 85 L CB -0.251 41.525 42.059 -0.472 0.000 1.180 85 L HN 0.542 nan 8.230 nan 0.000 0.487 86 S N -0.262 115.611 115.700 0.289 0.000 2.399 86 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 86 S C 1.200 176.013 174.600 0.355 0.000 1.022 86 S CA 1.002 59.415 58.200 0.356 0.000 0.983 86 S CB -0.141 63.208 63.200 0.247 0.000 0.803 86 S HN 0.543 nan 8.310 nan 0.000 0.480 87 E N 1.255 121.596 120.200 0.235 0.000 2.736 87 E HA 0.264 4.613 4.350 -0.001 0.000 0.208 87 E C -0.719 175.960 176.600 0.130 0.000 0.996 87 E CA -0.331 56.173 56.400 0.173 0.000 1.104 87 E CB 0.221 29.992 29.700 0.118 0.000 1.111 87 E HN 0.326 nan 8.360 nan 0.000 0.455 88 N N 1.090 119.887 118.700 0.162 0.000 2.462 88 N HA 0.158 4.897 4.740 -0.001 0.000 0.242 88 N C 0.490 176.041 175.510 0.068 0.000 1.010 88 N CA -0.021 53.102 53.050 0.122 0.000 0.939 88 N CB 1.368 39.944 38.487 0.148 0.000 1.127 88 N HN 0.142 nan 8.380 nan 0.000 0.509 89 A N 4.270 127.097 122.820 0.013 0.000 1.969 89 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 89 A C 1.800 179.340 177.584 -0.074 0.000 1.169 89 A CA 0.966 52.966 52.037 -0.062 0.000 0.635 89 A CB -0.170 18.809 19.000 -0.036 0.000 0.810 89 A HN 0.689 nan 8.150 nan 0.000 0.445 90 N N -0.706 117.992 118.700 -0.003 0.000 2.120 90 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 90 N C 1.497 177.027 175.510 0.034 0.000 1.024 90 N CA 1.520 54.578 53.050 0.013 0.000 0.852 90 N CB -0.640 37.875 38.487 0.047 0.000 1.003 90 N HN 0.642 nan 8.380 nan 0.000 0.424 91 F N 1.707 121.600 119.950 -0.096 0.000 2.075 91 F HA -0.193 4.333 4.527 -0.002 0.000 0.297 91 F C 2.293 177.945 175.800 -0.246 0.000 1.113 91 F CA 1.452 59.393 58.000 -0.099 0.000 1.218 91 F CB -0.119 38.866 39.000 -0.025 0.000 0.984 91 F HN 0.040 nan 8.300 nan 0.000 0.472 92 A N 0.140 122.578 122.820 -0.636 0.000 1.873 92 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 92 A C 2.054 179.268 177.584 -0.616 0.000 1.193 92 A CA 2.123 53.417 52.037 -1.238 0.000 0.629 92 A CB -1.168 17.037 19.000 -1.324 0.000 0.826 92 A HN 0.580 nan 8.150 nan 0.000 0.447 93 E N -0.713 119.276 120.200 -0.352 0.000 2.049 93 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 93 E C 2.375 178.883 176.600 -0.153 0.000 1.007 93 E CA 1.755 58.038 56.400 -0.194 0.000 0.809 93 E CB -0.186 29.444 29.700 -0.117 0.000 0.749 93 E HN 0.743 nan 8.360 nan 0.000 0.450 94 Q N -0.151 119.567 119.800 -0.135 0.000 2.124 94 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 94 Q C 2.330 178.285 176.000 -0.075 0.000 0.977 94 Q CA 1.238 57.001 55.803 -0.066 0.000 0.850 94 Q CB 0.050 28.791 28.738 0.004 0.000 0.901 94 Q HN 0.184 nan 8.270 nan 0.000 0.429 95 V N 1.405 121.185 119.914 -0.223 0.000 2.261 95 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 95 V C 1.988 178.104 176.094 0.038 0.000 1.047 95 V CA 2.035 64.256 62.300 -0.132 0.000 1.015 95 V CB -0.488 31.128 31.823 -0.345 0.000 0.642 95 V HN 0.375 nan 8.190 nan 0.000 0.446 96 E N -0.201 119.968 120.200 -0.052 0.000 2.072 96 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 96 E C 2.445 179.020 176.600 -0.043 0.000 0.985 96 E CA 1.092 57.474 56.400 -0.029 0.000 0.801 96 E CB -0.203 29.463 29.700 -0.056 0.000 0.750 96 E HN 0.508 nan 8.360 nan 0.000 0.452 97 R N 0.478 120.950 120.500 -0.046 0.000 2.120 97 R HA -0.037 4.303 4.340 -0.001 0.000 0.234 97 R C 2.210 178.487 176.300 -0.039 0.000 1.123 97 R CA 1.173 57.248 56.100 -0.042 0.000 0.975 97 R CB -0.009 30.271 30.300 -0.034 0.000 0.866 97 R HN -0.029 nan 8.270 nan 0.000 0.446 98 S N -0.932 114.770 115.700 0.003 0.000 2.562 98 S HA 0.108 4.577 4.470 -0.001 0.000 0.221 98 S C 1.053 175.514 174.600 -0.232 0.000 0.975 98 S CA 0.735 58.949 58.200 0.023 0.000 0.918 98 S CB 0.931 64.272 63.200 0.235 0.000 0.772 98 S HN 0.664 nan 8.310 nan 0.000 0.531 99 G N 0.721 109.346 108.800 -0.291 0.000 2.135 99 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.183 99 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.183 99 G C -0.245 174.242 174.900 -0.689 0.000 1.004 99 G CA -0.646 44.159 45.100 -0.492 0.000 0.677 99 G HN 0.372 nan 8.290 nan 0.000 0.512 100 F N -0.107 119.824 119.950 -0.032 0.000 2.538 100 F HA 0.709 5.236 4.527 -0.001 0.000 0.325 100 F C 0.826 176.613 175.800 -0.023 0.000 1.066 100 F CA -1.481 56.504 58.000 -0.025 0.000 0.946 100 F CB 1.272 40.258 39.000 -0.023 0.000 1.199 100 F HN -0.058 nan 8.300 nan 0.000 0.473 101 I N 2.656 123.325 120.570 0.165 0.000 2.471 101 I HA 0.033 4.203 4.170 -0.001 0.000 0.286 101 I C -0.477 175.698 176.117 0.096 0.000 1.079 101 I CA -0.040 61.312 61.300 0.087 0.000 1.398 101 I CB 0.369 38.389 38.000 0.032 0.000 1.403 101 I HN 0.451 nan 8.210 nan 0.000 0.530 102 F N 7.816 127.720 119.950 -0.077 0.000 2.404 102 F HA 0.412 4.938 4.527 -0.001 0.000 0.358 102 F C 0.375 176.095 175.800 -0.134 0.000 1.120 102 F CA -0.533 57.391 58.000 -0.127 0.000 1.144 102 F CB 0.482 39.381 39.000 -0.168 0.000 1.133 102 F HN 0.284 nan 8.300 nan 0.000 0.495 103 I N 7.378 127.526 120.570 -0.703 0.000 2.352 103 I HA 0.342 4.511 4.170 -0.001 0.000 0.303 103 I C 0.644 176.242 176.117 -0.864 0.000 1.194 103 I CA 0.410 61.316 61.300 -0.657 0.000 1.518 103 I CB -1.004 36.605 38.000 -0.650 0.000 1.489 103 I HN 0.801 nan 8.210 nan 0.000 0.702 104 G N 6.056 114.523 108.800 -0.556 0.000 2.325 104 G HA2 0.327 4.286 3.960 -0.001 0.000 0.295 104 G HA3 0.327 4.286 3.960 -0.001 0.000 0.295 104 G C -3.304 171.573 174.900 -0.038 0.000 1.274 104 G CA -0.683 44.235 45.100 -0.303 0.000 0.857 104 G HN 0.088 nan 8.290 nan 0.000 0.499 105 P HA 0.368 nan 4.420 nan 0.000 0.277 105 P C -0.466 176.842 177.300 0.013 0.000 1.271 105 P CA -0.440 62.567 63.100 -0.155 0.000 0.795 105 P CB 0.612 32.149 31.700 -0.271 0.000 1.101 106 K N -0.065 120.301 120.400 -0.057 0.000 2.319 106 K HA 0.240 4.559 4.320 -0.001 0.000 0.265 106 K C 1.490 178.054 176.600 -0.060 0.000 1.000 106 K CA -0.037 56.221 56.287 -0.048 0.000 0.943 106 K CB 0.115 32.588 32.500 -0.045 0.000 0.950 106 K HN 0.374 nan 8.250 nan 0.000 0.485 107 A N 2.703 125.459 122.820 -0.107 0.000 1.908 107 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 107 A C 2.024 179.577 177.584 -0.051 0.000 1.181 107 A CA 2.029 53.997 52.037 -0.114 0.000 0.627 107 A CB -0.640 18.277 19.000 -0.138 0.000 0.818 107 A HN 0.972 nan 8.150 nan 0.000 0.445 108 E N -0.629 119.550 120.200 -0.036 0.000 2.118 108 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 108 E C 1.662 178.267 176.600 0.008 0.000 0.992 108 E CA 1.773 58.165 56.400 -0.014 0.000 0.804 108 E CB -0.822 28.870 29.700 -0.012 0.000 0.741 108 E HN 0.472 nan 8.360 nan 0.000 0.458 109 T N 1.383 115.949 114.554 0.020 0.000 2.857 109 T HA 0.016 4.365 4.350 -0.001 0.000 0.266 109 T C 1.989 176.738 174.700 0.082 0.000 1.048 109 T CA 1.058 63.198 62.100 0.067 0.000 1.139 109 T CB -0.157 68.766 68.868 0.092 0.000 0.874 109 T HN 0.154 nan 8.240 nan 0.000 0.455 110 I N 0.830 121.434 120.570 0.057 0.000 2.226 110 I HA -0.168 4.001 4.170 -0.001 0.000 0.245 110 I C 2.845 178.985 176.117 0.039 0.000 1.100 110 I CA 1.280 62.617 61.300 0.062 0.000 1.374 110 I CB -0.290 37.734 38.000 0.040 0.000 1.057 110 I HN 0.128 nan 8.210 nan 0.000 0.413 111 R N 0.191 120.702 120.500 0.019 0.000 2.066 111 R HA -0.173 4.166 4.340 -0.001 0.000 0.232 111 R C 2.326 178.635 176.300 0.014 0.000 1.131 111 R CA 1.266 57.373 56.100 0.012 0.000 0.955 111 R CB -0.672 29.630 30.300 0.003 0.000 0.851 111 R HN 0.219 nan 8.270 nan 0.000 0.432 112 L N 0.733 121.968 121.223 0.019 0.000 2.013 112 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 112 L C 1.998 178.880 176.870 0.020 0.000 1.073 112 L CA 1.901 56.751 54.840 0.016 0.000 0.753 112 L CB -0.199 41.874 42.059 0.023 0.000 0.890 112 L HN 0.142 nan 8.230 nan 0.000 0.432 113 M N -1.250 118.372 119.600 0.036 0.000 2.541 113 M HA 0.179 4.658 4.480 -0.001 0.000 0.252 113 M C 2.062 178.382 176.300 0.032 0.000 1.125 113 M CA 0.907 56.232 55.300 0.042 0.000 1.091 113 M CB -1.596 31.026 32.600 0.037 0.000 1.420 113 M HN 0.366 nan 8.290 nan 0.000 0.486 114 G N -0.004 108.809 108.800 0.022 0.000 2.430 114 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.216 114 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.216 114 G C 0.169 175.063 174.900 -0.010 0.000 1.146 114 G CA 0.040 45.144 45.100 0.008 0.000 0.793 114 G HN 0.423 nan 8.290 nan 0.000 0.537 115 D N -0.556 119.839 120.400 -0.009 0.000 2.277 115 D HA 0.298 4.937 4.640 -0.001 0.000 0.249 115 D C 1.468 177.746 176.300 -0.037 0.000 1.134 115 D CA -0.271 53.716 54.000 -0.022 0.000 0.863 115 D CB 1.018 41.807 40.800 -0.018 0.000 1.143 115 D HN 0.011 nan 8.370 nan 0.000 0.458 116 K N 2.132 122.496 120.400 -0.060 0.000 2.057 116 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 116 K C 1.765 178.204 176.600 -0.268 0.000 1.050 116 K CA 0.695 56.914 56.287 -0.113 0.000 0.935 116 K CB 0.044 32.513 32.500 -0.052 0.000 0.715 116 K HN 0.315 nan 8.250 nan 0.000 0.439 117 V N 1.862 121.583 119.914 -0.321 0.000 2.295 117 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 117 V C 2.566 178.566 176.094 -0.157 0.000 1.049 117 V CA 2.290 64.395 62.300 -0.325 0.000 1.024 117 V CB -0.564 31.135 31.823 -0.207 0.000 0.648 117 V HN 0.442 nan 8.190 nan 0.000 0.447 118 S N 1.034 116.679 115.700 -0.091 0.000 2.383 118 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 118 S C 2.123 176.697 174.600 -0.043 0.000 1.026 118 S CA 1.293 59.462 58.200 -0.052 0.000 0.981 118 S CB -0.556 62.626 63.200 -0.030 0.000 0.818 118 S HN 0.559 nan 8.310 nan 0.000 0.472 119 A N 2.130 124.936 122.820 -0.023 0.000 1.883 119 A HA 0.049 4.369 4.320 -0.001 0.000 0.217 119 A C 2.245 179.822 177.584 -0.012 0.000 1.186 119 A CA 1.584 53.633 52.037 0.020 0.000 0.624 119 A CB -0.918 18.157 19.000 0.123 0.000 0.822 119 A HN 0.583 nan 8.150 nan 0.000 0.444 120 I N -0.258 120.326 120.570 0.023 0.000 2.226 120 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 120 I C 2.978 179.058 176.117 -0.061 0.000 1.100 120 I CA 1.029 62.340 61.300 0.018 0.000 1.374 120 I CB -0.343 37.662 38.000 0.007 0.000 1.057 120 I HN 0.362 nan 8.210 nan 0.000 0.413 121 A N 0.760 123.542 122.820 -0.063 0.000 1.883 121 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 121 A C 2.537 180.080 177.584 -0.069 0.000 1.186 121 A CA 2.063 54.067 52.037 -0.055 0.000 0.624 121 A CB -0.918 18.055 19.000 -0.045 0.000 0.822 121 A HN 0.442 nan 8.150 nan 0.000 0.444 122 A N -1.208 121.563 122.820 -0.081 0.000 1.930 122 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 122 A C 2.159 179.660 177.584 -0.138 0.000 1.175 122 A CA 1.946 53.931 52.037 -0.087 0.000 0.627 122 A CB -0.436 18.525 19.000 -0.066 0.000 0.815 122 A HN 0.427 nan 8.150 nan 0.000 0.443 123 M N -0.422 119.036 119.600 -0.236 0.000 2.132 123 M HA -0.060 4.419 4.480 -0.001 0.000 0.263 123 M C 2.049 178.226 176.300 -0.205 0.000 1.065 123 M CA 1.638 56.731 55.300 -0.345 0.000 1.122 123 M CB -1.200 30.932 32.600 -0.780 0.000 1.365 123 M HN 0.491 nan 8.290 nan 0.000 0.411 124 K N 0.474 120.795 120.400 -0.132 0.000 2.032 124 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 124 K C 2.152 178.716 176.600 -0.060 0.000 1.048 124 K CA 1.581 57.831 56.287 -0.062 0.000 0.927 124 K CB -0.046 32.439 32.500 -0.024 0.000 0.712 124 K HN 0.180 nan 8.250 nan 0.000 0.441 125 K N -0.034 120.328 120.400 -0.064 0.000 2.057 125 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 125 K C 1.772 178.333 176.600 -0.065 0.000 1.049 125 K CA 1.298 57.553 56.287 -0.053 0.000 0.931 125 K CB -0.132 32.340 32.500 -0.046 0.000 0.714 125 K HN 0.199 nan 8.250 nan 0.000 0.440 126 A N -0.021 122.745 122.820 -0.090 0.000 2.168 126 A HA 0.096 4.415 4.320 -0.001 0.000 0.215 126 A C 1.430 178.942 177.584 -0.120 0.000 1.152 126 A CA 1.219 53.194 52.037 -0.103 0.000 0.716 126 A CB -0.502 18.423 19.000 -0.126 0.000 0.794 126 A HN 0.616 nan 8.150 nan 0.000 0.465 127 G N -2.045 106.689 108.800 -0.110 0.000 2.157 127 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.239 127 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.239 127 G C 0.169 174.988 174.900 -0.135 0.000 0.982 127 G CA 0.058 45.094 45.100 -0.106 0.000 0.650 127 G HN 0.742 nan 8.290 nan 0.000 0.527 128 V N 3.237 123.055 119.914 -0.159 0.000 2.572 128 V HA 0.367 4.486 4.120 -0.001 0.000 0.291 128 V C -1.065 175.026 176.094 -0.005 0.000 1.039 128 V CA -0.858 61.360 62.300 -0.137 0.000 1.055 128 V CB 1.178 32.862 31.823 -0.232 0.000 0.969 128 V HN 0.273 nan 8.190 nan 0.000 0.482 129 P HA 0.204 nan 4.420 nan 0.000 0.271 129 P C -0.655 176.822 177.300 0.294 0.000 1.220 129 P CA -0.109 63.081 63.100 0.151 0.000 0.768 129 P CB 0.636 32.406 31.700 0.116 0.000 0.848 130 C N 2.568 122.032 119.300 0.272 0.000 2.595 130 C HA 0.405 4.864 4.460 -0.001 0.000 0.338 130 C C 0.424 175.673 174.990 0.432 0.000 1.219 130 C CA -0.613 58.620 59.018 0.359 0.000 1.811 130 C CB 2.088 29.974 27.740 0.242 0.000 2.313 130 C HN 0.360 nan 8.230 nan 0.000 0.499 131 V N 3.506 123.660 119.914 0.401 0.000 2.572 131 V HA 0.143 4.262 4.120 -0.001 0.000 0.291 131 V C -1.979 174.236 176.094 0.201 0.000 1.039 131 V CA -0.624 61.848 62.300 0.285 0.000 1.055 131 V CB 0.140 32.057 31.823 0.156 0.000 0.969 131 V HN 0.766 nan 8.190 nan 0.000 0.482 132 P HA 0.327 nan 4.420 nan 0.000 0.262 132 P C 0.285 177.635 177.300 0.084 0.000 1.182 132 P CA 0.689 63.851 63.100 0.103 0.000 0.761 132 P CB 0.496 32.236 31.700 0.065 0.000 0.795 133 G N 0.432 109.286 108.800 0.090 0.000 2.554 133 G HA2 0.329 4.288 3.960 -0.001 0.000 0.306 133 G HA3 0.329 4.288 3.960 -0.001 0.000 0.306 133 G C 0.646 175.598 174.900 0.087 0.000 1.320 133 G CA -0.041 45.121 45.100 0.103 0.000 0.800 133 G HN 0.310 nan 8.290 nan 0.000 0.481 134 S N -0.588 115.177 115.700 0.109 0.000 2.447 134 S HA 0.034 4.503 4.470 -0.001 0.000 0.233 134 S C 0.503 175.145 174.600 0.069 0.000 1.006 134 S CA 1.324 59.574 58.200 0.082 0.000 0.957 134 S CB -0.203 63.056 63.200 0.099 0.000 0.773 134 S HN 0.690 nan 8.310 nan 0.000 0.507 135 D N 1.861 122.305 120.400 0.074 0.000 2.803 135 D HA 0.008 4.648 4.640 -0.001 0.000 0.233 135 D C 0.404 176.715 176.300 0.020 0.000 1.182 135 D CA 1.609 55.629 54.000 0.034 0.000 0.726 135 D CB -1.637 39.181 40.800 0.031 0.000 0.987 135 D HN 0.984 nan 8.370 nan 0.000 0.412 136 G N -0.553 108.258 108.800 0.017 0.000 2.339 136 G HA2 0.227 4.186 3.960 -0.001 0.000 0.381 136 G HA3 0.227 4.186 3.960 -0.001 0.000 0.381 136 G C -3.175 171.759 174.900 0.057 0.000 1.400 136 G CA -0.789 44.322 45.100 0.018 0.000 1.002 136 G HN 0.068 nan 8.290 nan 0.000 0.633 137 P HA 0.472 nan 4.420 nan 0.000 0.274 137 P C 0.011 177.355 177.300 0.074 0.000 1.231 137 P CA -0.313 62.836 63.100 0.081 0.000 0.790 137 P CB 0.903 32.638 31.700 0.059 0.000 0.951 138 L N 1.373 122.645 121.223 0.082 0.000 2.326 138 L HA 0.458 4.798 4.340 -0.001 0.000 0.278 138 L C 1.515 178.413 176.870 0.046 0.000 1.092 138 L CA -0.292 54.583 54.840 0.059 0.000 0.810 138 L CB 0.655 42.746 42.059 0.055 0.000 1.153 138 L HN 0.491 nan 8.230 nan 0.000 0.439 139 G N 0.533 109.355 108.800 0.036 0.000 2.543 139 G HA2 0.148 4.107 3.960 -0.001 0.000 0.267 139 G HA3 0.148 4.107 3.960 -0.001 0.000 0.267 139 G C -0.053 174.863 174.900 0.028 0.000 1.406 139 G CA -0.295 44.823 45.100 0.030 0.000 1.048 139 G HN 0.643 nan 8.290 nan 0.000 0.548 140 D N -0.732 119.683 120.400 0.024 0.000 2.395 140 D HA 0.090 4.729 4.640 -0.001 0.000 0.213 140 D C -0.097 176.214 176.300 0.020 0.000 1.110 140 D CA -0.074 53.939 54.000 0.022 0.000 0.835 140 D CB 0.421 41.232 40.800 0.019 0.000 0.965 140 D HN 0.235 nan 8.370 nan 0.000 0.505 141 D N 1.309 121.721 120.400 0.020 0.000 2.338 141 D HA -0.001 4.638 4.640 -0.001 0.000 0.255 141 D C 1.129 177.442 176.300 0.021 0.000 1.237 141 D CA -0.109 53.902 54.000 0.019 0.000 0.883 141 D CB 0.851 41.661 40.800 0.018 0.000 1.087 141 D HN -0.135 nan 8.370 nan 0.000 0.485 142 M N 2.360 121.973 119.600 0.022 0.000 2.514 142 M HA -0.037 4.442 4.480 -0.001 0.000 0.258 142 M C 1.102 177.419 176.300 0.028 0.000 1.119 142 M CA 0.306 55.622 55.300 0.026 0.000 1.111 142 M CB -0.184 32.431 32.600 0.025 0.000 1.390 142 M HN 0.365 nan 8.290 nan 0.000 0.475 143 D N 1.125 121.539 120.400 0.024 0.000 2.117 143 D HA -0.125 4.514 4.640 -0.001 0.000 0.198 143 D C 1.868 178.182 176.300 0.022 0.000 0.982 143 D CA 1.200 55.214 54.000 0.024 0.000 0.828 143 D CB 0.068 40.879 40.800 0.019 0.000 0.967 143 D HN 0.373 nan 8.370 nan 0.000 0.464 144 K N 0.486 120.897 120.400 0.020 0.000 2.097 144 K HA -0.052 4.267 4.320 -0.001 0.000 0.205 144 K C 1.818 178.427 176.600 0.016 0.000 1.050 144 K CA 0.623 56.920 56.287 0.017 0.000 0.938 144 K CB 0.076 32.587 32.500 0.017 0.000 0.718 144 K HN 0.024 nan 8.250 nan 0.000 0.442 145 N N 0.924 119.637 118.700 0.021 0.000 2.270 145 N HA -0.088 4.652 4.740 -0.001 0.000 0.181 145 N C 1.620 177.141 175.510 0.018 0.000 1.016 145 N CA 0.939 54.001 53.050 0.020 0.000 0.870 145 N CB -0.032 38.472 38.487 0.028 0.000 0.979 145 N HN 0.180 nan 8.380 nan 0.000 0.431 146 R N 0.625 121.147 120.500 0.036 0.000 2.148 146 R HA 0.070 4.409 4.340 -0.001 0.000 0.227 146 R C 2.055 178.366 176.300 0.017 0.000 1.103 146 R CA 1.003 57.136 56.100 0.056 0.000 0.983 146 R CB -0.126 30.219 30.300 0.076 0.000 0.874 146 R HN 0.165 nan 8.270 nan 0.000 0.451 147 A N 1.165 123.990 122.820 0.008 0.000 1.897 147 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 147 A C 2.090 179.658 177.584 -0.028 0.000 1.181 147 A CA 0.957 52.992 52.037 -0.004 0.000 0.620 147 A CB -0.324 18.679 19.000 0.005 0.000 0.821 147 A HN 0.142 nan 8.150 nan 0.000 0.443 148 I N -0.086 120.466 120.570 -0.030 0.000 2.226 148 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 148 I C 2.968 179.022 176.117 -0.105 0.000 1.100 148 I CA 1.030 62.304 61.300 -0.043 0.000 1.374 148 I CB -0.335 37.653 38.000 -0.020 0.000 1.057 148 I HN 0.354 nan 8.210 nan 0.000 0.413 149 A N 0.768 123.486 122.820 -0.169 0.000 1.908 149 A HA -0.284 4.035 4.320 -0.001 0.000 0.218 149 A C 2.403 179.724 177.584 -0.437 0.000 1.181 149 A CA 2.091 53.878 52.037 -0.416 0.000 0.627 149 A CB -0.564 18.095 19.000 -0.569 0.000 0.818 149 A HN 0.380 nan 8.150 nan 0.000 0.445 150 K N -0.814 119.454 120.400 -0.219 0.000 2.057 150 K HA -0.155 4.164 4.320 -0.001 0.000 0.207 150 K C 2.389 178.941 176.600 -0.079 0.000 1.049 150 K CA 1.189 57.414 56.287 -0.104 0.000 0.931 150 K CB -0.206 32.284 32.500 -0.017 0.000 0.714 150 K HN 0.336 nan 8.250 nan 0.000 0.440 151 R N 0.993 121.452 120.500 -0.068 0.000 2.073 151 R HA -0.095 4.244 4.340 -0.001 0.000 0.234 151 R C 2.202 178.475 176.300 -0.044 0.000 1.134 151 R CA 1.583 57.660 56.100 -0.039 0.000 0.952 151 R CB -0.396 29.889 30.300 -0.024 0.000 0.850 151 R HN 0.304 nan 8.270 nan 0.000 0.433 152 I N -0.159 120.366 120.570 -0.074 0.000 2.315 152 I HA -0.075 4.094 4.170 -0.001 0.000 0.248 152 I C 0.903 176.975 176.117 -0.075 0.000 1.117 152 I CA 1.033 62.292 61.300 -0.068 0.000 1.404 152 I CB -0.356 37.591 38.000 -0.088 0.000 1.071 152 I HN 0.423 nan 8.210 nan 0.000 0.419 153 G N 0.252 108.976 108.800 -0.126 0.000 3.307 153 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.686 153 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.686 153 G C -0.612 174.239 174.900 -0.082 0.000 0.983 153 G CA -0.945 44.108 45.100 -0.079 0.000 0.804 153 G HN 0.046 nan 8.290 nan 0.000 0.531 154 Y N 2.658 122.970 120.300 0.021 0.000 2.426 154 Y HA 0.401 4.950 4.550 -0.002 0.000 0.344 154 Y C -0.502 175.421 175.900 0.039 0.000 1.256 154 Y CA -0.409 57.708 58.100 0.027 0.000 1.451 154 Y CB 0.322 38.791 38.460 0.017 0.000 1.342 154 Y HN 0.557 nan 8.280 nan 0.000 0.600 155 P HA 0.238 nan 4.420 nan 0.000 0.278 155 P C -0.932 176.520 177.300 0.253 0.000 1.238 155 P CA -0.259 63.033 63.100 0.320 0.000 0.794 155 P CB 1.295 33.161 31.700 0.278 0.000 0.955 156 V N 0.417 120.467 119.914 0.226 0.000 3.166 156 V HA 0.694 4.813 4.120 -0.001 0.000 0.317 156 V C -0.304 175.829 176.094 0.064 0.000 1.136 156 V CA -1.160 61.201 62.300 0.101 0.000 1.035 156 V CB 1.967 33.774 31.823 -0.026 0.000 1.110 156 V HN 0.552 nan 8.190 nan 0.000 0.450 157 I N 1.382 121.968 120.570 0.026 0.000 2.533 157 I HA 0.529 4.698 4.170 -0.001 0.000 0.290 157 I C -1.251 174.798 176.117 -0.112 0.000 1.056 157 I CA -0.910 60.361 61.300 -0.049 0.000 1.057 157 I CB 1.719 39.730 38.000 0.019 0.000 1.240 157 I HN 0.568 nan 8.210 nan 0.000 0.423 158 I N 7.169 127.665 120.570 -0.123 0.000 2.342 158 I HA 0.364 4.533 4.170 -0.001 0.000 0.291 158 I C -0.189 175.792 176.117 -0.227 0.000 1.010 158 I CA -0.329 60.875 61.300 -0.160 0.000 1.308 158 I CB 0.772 38.722 38.000 -0.083 0.000 1.400 158 I HN 0.522 nan 8.210 nan 0.000 0.488 159 K N 4.426 124.576 120.400 -0.418 0.000 2.397 159 K HA 0.703 5.022 4.320 -0.001 0.000 0.253 159 K C -0.603 175.846 176.600 -0.251 0.000 0.932 159 K CA -0.726 55.295 56.287 -0.443 0.000 0.795 159 K CB 2.626 34.642 32.500 -0.806 0.000 1.159 159 K HN 0.684 nan 8.250 nan 0.000 0.424 160 A N 1.431 124.227 122.820 -0.040 0.000 2.409 160 A HA 0.098 4.417 4.320 -0.001 0.000 0.267 160 A C 1.208 178.873 177.584 0.136 0.000 1.127 160 A CA -0.117 51.966 52.037 0.077 0.000 0.795 160 A CB 0.885 19.965 19.000 0.133 0.000 1.061 160 A HN 0.791 nan 8.150 nan 0.000 0.502 161 S N 2.202 118.022 115.700 0.200 0.000 2.399 161 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 161 S C 1.611 176.223 174.600 0.019 0.000 1.022 161 S CA 1.810 60.109 58.200 0.164 0.000 0.983 161 S CB -0.209 63.056 63.200 0.109 0.000 0.803 161 S HN 1.074 nan 8.310 nan 0.000 0.480 162 G N 0.243 109.020 108.800 -0.038 0.000 3.371 162 G HA2 0.463 4.422 3.960 -0.001 0.000 0.248 162 G HA3 0.463 4.422 3.960 -0.001 0.000 0.248 162 G C 0.445 175.011 174.900 -0.556 0.000 1.161 162 G CA 0.106 45.106 45.100 -0.166 0.000 0.796 162 G HN 0.566 nan 8.290 nan 0.000 0.539 163 G N -0.860 107.626 108.800 -0.524 0.000 2.572 163 G HA2 0.580 4.539 3.960 -0.001 0.000 0.261 163 G HA3 0.580 4.539 3.960 -0.001 0.000 0.261 163 G C 0.055 174.579 174.900 -0.626 0.000 1.197 163 G CA 0.194 44.778 45.100 -0.861 0.000 0.870 163 G HN 0.745 nan 8.290 nan 0.000 0.548 164 G N -2.658 105.842 108.800 -0.500 0.000 2.547 164 G HA2 0.558 4.517 3.960 -0.001 0.000 0.291 164 G HA3 0.558 4.517 3.960 -0.001 0.000 0.291 164 G C 0.424 175.328 174.900 0.007 0.000 1.471 164 G CA 0.456 45.440 45.100 -0.194 0.000 0.798 164 G HN 2.011 nan 8.290 nan 0.000 0.504 165 G N -1.171 107.636 108.800 0.013 0.000 2.203 165 G HA2 0.265 4.224 3.960 -0.001 0.000 0.263 165 G HA3 0.265 4.224 3.960 -0.001 0.000 0.263 165 G C 1.831 176.777 174.900 0.077 0.000 1.012 165 G CA 1.452 46.588 45.100 0.061 0.000 0.749 165 G HN 2.824 nan 8.290 nan 0.000 0.512 166 G N -2.041 106.750 108.800 -0.016 0.000 2.159 166 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.256 166 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.256 166 G C 0.475 175.366 174.900 -0.014 0.000 0.977 166 G CA 1.049 46.064 45.100 -0.143 0.000 0.652 166 G HN 0.935 nan 8.290 nan 0.000 0.531 167 R N -0.316 120.241 120.500 0.095 0.000 2.720 167 R HA 0.659 4.998 4.340 -0.001 0.000 0.272 167 R C 0.966 177.420 176.300 0.256 0.000 0.991 167 R CA -0.063 56.146 56.100 0.181 0.000 1.010 167 R CB 1.036 31.486 30.300 0.249 0.000 1.141 167 R HN 1.420 nan 8.270 nan 0.000 0.494 168 G N 1.540 110.479 108.800 0.231 0.000 2.291 168 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.271 168 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.271 168 G C -0.122 174.830 174.900 0.087 0.000 1.099 168 G CA 0.603 45.857 45.100 0.256 0.000 0.919 168 G HN 0.548 nan 8.290 nan 0.000 0.496 169 M N -2.244 117.371 119.600 0.024 0.000 2.426 169 M HA 0.740 5.219 4.480 -0.001 0.000 0.289 169 M C -1.086 175.187 176.300 -0.044 0.000 1.168 169 M CA -1.113 54.164 55.300 -0.038 0.000 0.933 169 M CB 1.607 34.163 32.600 -0.073 0.000 1.750 169 M HN 0.043 nan 8.290 nan 0.000 0.494 170 R N 1.687 122.146 120.500 -0.069 0.000 2.532 170 R HA 0.684 5.023 4.340 -0.001 0.000 0.297 170 R C -1.282 174.943 176.300 -0.125 0.000 0.984 170 R CA -0.868 55.185 56.100 -0.079 0.000 0.884 170 R CB 2.938 33.205 30.300 -0.054 0.000 1.182 170 R HN 0.648 nan 8.270 nan 0.000 0.442 171 V N 4.118 123.914 119.914 -0.196 0.000 2.555 171 V HA 0.169 4.288 4.120 -0.001 0.000 0.286 171 V C 0.072 176.055 176.094 -0.185 0.000 1.044 171 V CA -0.265 61.841 62.300 -0.323 0.000 1.026 171 V CB 1.385 32.835 31.823 -0.622 0.000 0.981 171 V HN 0.421 nan 8.190 nan 0.000 0.480 172 V N 6.834 126.688 119.914 -0.100 0.000 2.409 172 V HA 0.428 4.547 4.120 -0.001 0.000 0.291 172 V C 0.784 176.898 176.094 0.033 0.000 1.020 172 V CA -0.602 61.692 62.300 -0.010 0.000 0.848 172 V CB 1.493 33.373 31.823 0.094 0.000 0.990 172 V HN 0.831 nan 8.190 nan 0.000 0.430 173 R N 2.723 123.167 120.500 -0.094 0.000 2.334 173 R HA 0.440 4.779 4.340 -0.001 0.000 0.212 173 R C 0.719 176.758 176.300 -0.437 0.000 0.897 173 R CA 0.454 56.476 56.100 -0.130 0.000 1.056 173 R CB 1.105 31.348 30.300 -0.094 0.000 1.046 173 R HN 0.811 nan 8.270 nan 0.000 0.513 174 G N -0.526 107.862 108.800 -0.686 0.000 2.559 174 G HA2 0.052 4.011 3.960 -0.001 0.000 0.291 174 G HA3 0.052 4.011 3.960 -0.001 0.000 0.291 174 G C -0.793 173.692 174.900 -0.692 0.000 1.424 174 G CA -0.612 43.886 45.100 -1.003 0.000 0.786 174 G HN -0.218 nan 8.290 nan 0.000 0.485 175 D N 0.184 120.313 120.400 -0.451 0.000 2.133 175 D HA -0.147 4.492 4.640 -0.001 0.000 0.195 175 D C 2.734 178.999 176.300 -0.058 0.000 0.997 175 D CA 1.881 55.836 54.000 -0.075 0.000 0.840 175 D CB -0.269 40.536 40.800 0.009 0.000 0.947 175 D HN 0.538 nan 8.370 nan 0.000 0.452 176 A N 0.604 123.368 122.820 -0.093 0.000 1.986 176 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 176 A C 1.928 179.483 177.584 -0.048 0.000 1.171 176 A CA 1.722 53.724 52.037 -0.059 0.000 0.640 176 A CB -0.373 18.588 19.000 -0.066 0.000 0.811 176 A HN 0.143 nan 8.150 nan 0.000 0.451 177 E N -1.178 118.984 120.200 -0.065 0.000 2.447 177 E HA 0.122 4.471 4.350 -0.001 0.000 0.195 177 E C 1.586 178.178 176.600 -0.014 0.000 1.028 177 E CA -0.015 56.358 56.400 -0.044 0.000 0.876 177 E CB -0.066 29.596 29.700 -0.063 0.000 0.885 177 E HN 0.469 nan 8.360 nan 0.000 0.500 178 L N 0.940 122.170 121.223 0.011 0.000 1.994 178 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 178 L C 2.063 178.953 176.870 0.034 0.000 1.071 178 L CA 2.114 56.988 54.840 0.056 0.000 0.745 178 L CB -0.903 41.230 42.059 0.123 0.000 0.892 178 L HN 0.141 nan 8.230 nan 0.000 0.431 179 A N -1.124 121.711 122.820 0.025 0.000 1.873 179 A HA -0.333 3.986 4.320 -0.001 0.000 0.218 179 A C 2.344 179.934 177.584 0.010 0.000 1.193 179 A CA 2.168 54.216 52.037 0.018 0.000 0.629 179 A CB -0.902 18.107 19.000 0.014 0.000 0.826 179 A HN 0.661 nan 8.150 nan 0.000 0.447 180 Q N -0.536 119.265 119.800 0.003 0.000 2.084 180 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 180 Q C 2.300 178.298 176.000 -0.004 0.000 0.978 180 Q CA 1.758 57.560 55.803 -0.002 0.000 0.844 180 Q CB -0.143 28.590 28.738 -0.009 0.000 0.898 180 Q HN 0.616 nan 8.270 nan 0.000 0.426 181 S N 0.483 116.180 115.700 -0.005 0.000 2.382 181 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 181 S C 1.832 176.428 174.600 -0.005 0.000 1.027 181 S CA 1.092 59.286 58.200 -0.010 0.000 0.991 181 S CB -0.160 63.033 63.200 -0.013 0.000 0.823 181 S HN 0.364 nan 8.310 nan 0.000 0.469 182 I N 0.895 121.468 120.570 0.004 0.000 2.233 182 I HA -0.130 4.039 4.170 -0.001 0.000 0.243 182 I C 2.430 178.553 176.117 0.011 0.000 1.093 182 I CA 0.851 62.155 61.300 0.007 0.000 1.380 182 I CB -0.394 37.616 38.000 0.016 0.000 1.067 182 I HN 0.193 nan 8.210 nan 0.000 0.413 183 S N 0.538 116.244 115.700 0.010 0.000 2.368 183 S HA -0.161 4.309 4.470 -0.001 0.000 0.225 183 S C 2.035 176.639 174.600 0.008 0.000 1.030 183 S CA 1.486 59.692 58.200 0.010 0.000 0.999 183 S CB -0.204 63.001 63.200 0.008 0.000 0.844 183 S HN 0.324 nan 8.310 nan 0.000 0.459 184 M N 0.653 120.255 119.600 0.003 0.000 2.123 184 M HA -0.082 4.397 4.480 -0.001 0.000 0.263 184 M C 2.362 178.664 176.300 0.004 0.000 1.069 184 M CA 1.273 56.572 55.300 -0.000 0.000 1.133 184 M CB -0.996 31.600 32.600 -0.006 0.000 1.356 184 M HN 0.243 nan 8.290 nan 0.000 0.415 185 T N -0.042 114.516 114.554 0.007 0.000 2.759 185 T HA -0.191 4.159 4.350 -0.001 0.000 0.269 185 T C 1.785 176.507 174.700 0.038 0.000 1.042 185 T CA 1.317 63.428 62.100 0.019 0.000 1.140 185 T CB -0.389 68.483 68.868 0.006 0.000 0.864 185 T HN 0.360 nan 8.240 nan 0.000 0.455 186 R N 0.552 121.071 120.500 0.032 0.000 2.120 186 R HA -0.040 4.299 4.340 -0.001 0.000 0.234 186 R C 2.401 178.722 176.300 0.035 0.000 1.123 186 R CA 1.312 57.436 56.100 0.041 0.000 0.975 186 R CB -0.248 30.071 30.300 0.033 0.000 0.866 186 R HN 0.423 nan 8.270 nan 0.000 0.446 187 A N 0.577 123.408 122.820 0.019 0.000 1.859 187 A HA -0.043 4.276 4.320 -0.001 0.000 0.212 187 A C 1.827 179.405 177.584 -0.009 0.000 1.238 187 A CA 0.715 52.756 52.037 0.006 0.000 0.613 187 A CB -0.441 18.558 19.000 -0.001 0.000 0.904 187 A HN 0.330 nan 8.150 nan 0.000 0.457 188 E N -0.076 120.115 120.200 -0.016 0.000 2.147 188 E HA -0.202 4.147 4.350 -0.001 0.000 0.199 188 E C 1.239 177.788 176.600 -0.086 0.000 1.005 188 E CA 1.158 57.529 56.400 -0.048 0.000 0.810 188 E CB -0.235 29.446 29.700 -0.030 0.000 0.736 188 E HN 0.508 nan 8.360 nan 0.000 0.460 189 A N 1.162 123.988 122.820 0.010 0.000 3.163 189 A HA 0.182 4.502 4.320 -0.001 0.000 0.283 189 A C 0.164 177.815 177.584 0.112 0.000 1.412 189 A CA -0.047 52.060 52.037 0.117 0.000 1.053 189 A CB -0.081 19.123 19.000 0.340 0.000 1.082 189 A HN -0.007 nan 8.150 nan 0.000 0.639 194 S N 0.277 116.064 115.700 0.145 0.000 1.860 194 S HA -0.259 4.210 4.470 -0.001 0.000 0.241 194 S C 0.002 174.662 174.600 0.101 0.000 1.007 194 S CA 1.063 59.320 58.200 0.096 0.000 1.412 194 S CB -1.673 61.578 63.200 0.084 0.000 1.757 194 S HN 0.371 nan 8.310 nan 0.000 0.547 195 N N 2.819 121.604 118.700 0.141 0.000 2.426 195 N HA 0.363 5.102 4.740 -0.001 0.000 0.257 195 N C 0.521 176.102 175.510 0.118 0.000 1.002 195 N CA 0.374 53.490 53.050 0.111 0.000 0.942 195 N CB 1.496 40.042 38.487 0.099 0.000 1.112 195 N HN 0.584 nan 8.380 nan 0.000 0.499 196 D N 3.277 123.729 120.400 0.086 0.000 2.312 196 D HA -0.122 4.517 4.640 -0.001 0.000 0.211 196 D C 0.839 177.189 176.300 0.083 0.000 0.964 196 D CA 0.241 54.288 54.000 0.079 0.000 0.877 196 D CB -0.140 40.693 40.800 0.055 0.000 0.924 196 D HN 0.504 nan 8.370 nan 0.000 0.515 197 M N 1.937 121.587 119.600 0.084 0.000 2.284 197 M HA 0.078 4.557 4.480 -0.001 0.000 0.351 197 M C -0.520 175.853 176.300 0.121 0.000 1.443 197 M CA 0.024 55.378 55.300 0.090 0.000 1.031 197 M CB 0.502 33.150 32.600 0.080 0.000 1.893 197 M HN -0.025 nan 8.290 nan 0.000 0.456 198 V N 4.114 124.100 119.914 0.121 0.000 2.960 198 V HA 0.813 4.932 4.120 -0.001 0.000 0.315 198 V C -1.173 175.046 176.094 0.208 0.000 1.087 198 V CA -0.877 61.502 62.300 0.132 0.000 0.982 198 V CB 1.587 33.439 31.823 0.048 0.000 1.039 198 V HN 0.892 nan 8.190 nan 0.000 0.437 199 Y N 0.736 121.049 120.300 0.022 0.000 2.665 199 Y HA 0.848 5.397 4.550 -0.002 0.000 0.336 199 Y C -0.630 175.282 175.900 0.020 0.000 1.085 199 Y CA -2.032 56.080 58.100 0.021 0.000 1.096 199 Y CB 2.117 40.591 38.460 0.024 0.000 1.301 199 Y HN 0.838 nan 8.280 nan 0.000 0.493 200 M N 1.949 121.590 119.600 0.068 0.000 2.294 200 M HA 0.445 4.924 4.480 -0.001 0.000 0.335 200 M C -1.515 174.814 176.300 0.047 0.000 1.079 200 M CA -0.183 55.101 55.300 -0.027 0.000 0.982 200 M CB 1.667 34.267 32.600 0.001 0.000 1.651 200 M HN 0.964 nan 8.290 nan 0.000 0.437 201 E N 2.632 122.821 120.200 -0.019 0.000 2.277 201 E HA 0.331 4.680 4.350 -0.001 0.000 0.266 201 E C -1.364 175.253 176.600 0.030 0.000 0.901 201 E CA -0.868 55.564 56.400 0.054 0.000 0.782 201 E CB 2.534 32.280 29.700 0.076 0.000 1.228 201 E HN 0.539 nan 8.360 nan 0.000 0.424 202 K N 1.889 122.302 120.400 0.020 0.000 2.448 202 K HA -0.028 4.292 4.320 -0.001 0.000 0.278 202 K C -1.015 175.612 176.600 0.044 0.000 1.009 202 K CA 0.069 56.357 56.287 0.002 0.000 0.995 202 K CB 0.344 32.808 32.500 -0.061 0.000 0.917 202 K HN 0.401 nan 8.250 nan 0.000 0.481 203 Y N 6.005 126.278 120.300 -0.045 0.000 2.452 203 Y HA 0.191 4.741 4.550 -0.001 0.000 0.348 203 Y C -0.722 175.156 175.900 -0.037 0.000 0.985 203 Y CA -0.610 57.475 58.100 -0.026 0.000 1.214 203 Y CB 0.328 38.794 38.460 0.009 0.000 1.136 203 Y HN 0.405 nan 8.280 nan 0.000 0.523 204 L N 7.124 128.048 121.223 -0.499 0.000 2.319 204 L HA 0.228 4.567 4.340 -0.001 0.000 0.280 204 L C 0.960 177.447 176.870 -0.639 0.000 1.099 204 L CA 0.001 54.566 54.840 -0.460 0.000 0.828 204 L CB 1.051 42.911 42.059 -0.332 0.000 1.150 204 L HN 0.697 nan 8.230 nan 0.000 0.442 205 E N 2.138 122.106 120.200 -0.387 0.000 2.340 205 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 205 E C 0.073 176.663 176.600 -0.017 0.000 0.996 205 E CA 0.537 56.781 56.400 -0.261 0.000 0.869 205 E CB 0.253 29.895 29.700 -0.098 0.000 0.835 205 E HN 0.770 nan 8.360 nan 0.000 0.493 206 N N 0.591 119.283 118.700 -0.014 0.000 2.687 206 N HA 0.176 4.915 4.740 -0.001 0.000 0.275 206 N C -2.890 172.627 175.510 0.012 0.000 1.789 206 N CA -1.182 51.915 53.050 0.077 0.000 0.806 206 N CB 0.912 39.446 38.487 0.078 0.000 1.256 206 N HN -0.161 nan 8.380 nan 0.000 0.500 207 P HA 0.302 nan 4.420 nan 0.000 0.279 207 P C -0.658 176.666 177.300 0.040 0.000 1.252 207 P CA -0.391 62.706 63.100 -0.005 0.000 0.811 207 P CB 1.480 33.171 31.700 -0.014 0.000 1.035 208 R N -0.218 120.357 120.500 0.124 0.000 2.598 208 R HA 0.364 4.704 4.340 -0.001 0.000 0.279 208 R C 0.123 176.559 176.300 0.226 0.000 0.984 208 R CA -0.680 55.529 56.100 0.182 0.000 0.999 208 R CB 0.563 31.008 30.300 0.243 0.000 1.114 208 R HN 0.604 nan 8.270 nan 0.000 0.493 209 H N 1.389 120.538 119.070 0.132 0.000 2.846 209 H HA 0.295 4.850 4.556 -0.002 0.000 0.278 209 H C -1.093 174.340 175.328 0.176 0.000 1.117 209 H CA -0.364 55.773 56.048 0.148 0.000 1.406 209 H CB 0.441 30.261 29.762 0.096 0.000 1.445 209 H HN 0.105 nan 8.280 nan 0.000 0.469 210 V N 6.437 126.459 119.914 0.180 0.000 2.487 210 V HA 0.263 4.382 4.120 -0.001 0.000 0.298 210 V C -0.474 175.795 176.094 0.293 0.000 1.028 210 V CA -0.759 61.694 62.300 0.255 0.000 0.860 210 V CB 1.520 33.474 31.823 0.217 0.000 0.991 210 V HN 0.912 nan 8.190 nan 0.000 0.427 211 E N 5.159 125.534 120.200 0.292 0.000 2.317 211 E HA 0.659 5.009 4.350 -0.001 0.000 0.270 211 E C -1.677 175.084 176.600 0.268 0.000 0.885 211 E CA -0.968 55.617 56.400 0.309 0.000 0.760 211 E CB 2.716 32.586 29.700 0.283 0.000 1.227 211 E HN 0.369 nan 8.360 nan 0.000 0.434 212 I N 2.317 123.082 120.570 0.324 0.000 2.378 212 I HA 0.176 4.346 4.170 -0.001 0.000 0.291 212 I C -0.172 176.106 176.117 0.268 0.000 0.992 212 I CA -0.704 60.746 61.300 0.251 0.000 1.154 212 I CB 1.300 39.425 38.000 0.209 0.000 1.315 212 I HN 0.712 nan 8.210 nan 0.000 0.448 213 Q N 6.193 126.115 119.800 0.203 0.000 2.286 213 Q HA 0.498 4.837 4.340 -0.001 0.000 0.257 213 Q C -0.913 175.210 176.000 0.204 0.000 0.941 213 Q CA -0.232 55.676 55.803 0.177 0.000 0.912 213 Q CB 1.297 30.117 28.738 0.137 0.000 1.192 213 Q HN 0.532 nan 8.270 nan 0.000 0.410 214 V N 1.807 121.834 119.914 0.189 0.000 3.001 214 V HA 0.751 4.870 4.120 -0.001 0.000 0.314 214 V C -1.032 175.158 176.094 0.161 0.000 1.099 214 V CA -1.041 61.377 62.300 0.198 0.000 0.989 214 V CB 1.972 33.957 31.823 0.270 0.000 1.040 214 V HN 0.758 nan 8.190 nan 0.000 0.434 215 L N 2.402 123.714 121.223 0.147 0.000 2.408 215 L HA 0.961 5.301 4.340 -0.001 0.000 0.268 215 L C -0.177 176.781 176.870 0.146 0.000 0.986 215 L CA -0.633 54.287 54.840 0.133 0.000 0.820 215 L CB 2.103 44.204 42.059 0.070 0.000 1.303 215 L HN 1.109 nan 8.230 nan 0.000 0.411 216 A N 0.875 123.793 122.820 0.163 0.000 2.486 216 A HA 0.545 4.864 4.320 -0.001 0.000 0.300 216 A C -0.492 177.125 177.584 0.055 0.000 1.048 216 A CA -0.586 51.532 52.037 0.135 0.000 0.696 216 A CB 1.319 20.462 19.000 0.240 0.000 1.278 216 A HN 0.793 nan 8.150 nan 0.000 0.405 217 D N 0.826 121.244 120.400 0.029 0.000 2.349 217 D HA 0.255 4.894 4.640 -0.001 0.000 0.215 217 D C 1.170 177.459 176.300 -0.019 0.000 1.016 217 D CA 0.860 54.858 54.000 -0.003 0.000 0.870 217 D CB -0.052 40.746 40.800 -0.002 0.000 0.917 217 D HN 1.676 nan 8.370 nan 0.000 0.524 218 G N 0.486 109.280 108.800 -0.010 0.000 2.168 218 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.257 218 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.257 218 G C 0.532 175.426 174.900 -0.009 0.000 0.997 218 G CA 0.509 45.598 45.100 -0.019 0.000 0.708 218 G HN 0.498 nan 8.290 nan 0.000 0.520 219 Q N -1.330 118.470 119.800 -0.000 0.000 2.135 219 Q HA 0.458 4.797 4.340 -0.001 0.000 0.222 219 Q C 1.615 177.618 176.000 0.006 0.000 0.808 219 Q CA 0.343 56.145 55.803 -0.001 0.000 1.049 219 Q CB 1.154 29.889 28.738 -0.005 0.000 1.168 219 Q HN 1.350 nan 8.270 nan 0.000 0.483 220 G N 1.106 109.915 108.800 0.015 0.000 2.213 220 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.226 220 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.226 220 G C -0.080 174.834 174.900 0.022 0.000 0.992 220 G CA -0.530 44.581 45.100 0.018 0.000 0.632 220 G HN 0.272 nan 8.290 nan 0.000 0.511 221 N N 1.200 119.914 118.700 0.023 0.000 2.456 221 N HA 0.690 5.429 4.740 -0.001 0.000 0.288 221 N C -0.146 175.391 175.510 0.045 0.000 1.059 221 N CA 0.655 53.720 53.050 0.025 0.000 0.946 221 N CB 1.869 40.364 38.487 0.013 0.000 1.150 221 N HN 0.927 nan 8.380 nan 0.000 0.479 222 A N 1.837 124.688 122.820 0.051 0.000 2.486 222 A HA 0.734 5.053 4.320 -0.001 0.000 0.300 222 A C -0.556 177.068 177.584 0.066 0.000 1.048 222 A CA -0.762 51.322 52.037 0.079 0.000 0.696 222 A CB 1.075 20.140 19.000 0.108 0.000 1.278 222 A HN 0.688 nan 8.150 nan 0.000 0.405 223 I N -0.861 119.748 120.570 0.065 0.000 2.934 223 I HA 0.866 5.035 4.170 -0.001 0.000 0.306 223 I C -0.919 175.249 176.117 0.086 0.000 1.110 223 I CA -1.215 60.095 61.300 0.017 0.000 1.019 223 I CB 2.120 40.070 38.000 -0.083 0.000 1.227 223 I HN 0.747 nan 8.210 nan 0.000 0.434 224 Y N 2.660 122.958 120.300 -0.004 0.000 2.409 224 Y HA 0.799 5.348 4.550 -0.002 0.000 0.339 224 Y C -1.188 174.711 175.900 -0.002 0.000 1.033 224 Y CA -1.612 56.490 58.100 0.004 0.000 1.094 224 Y CB 1.365 39.806 38.460 -0.031 0.000 1.210 224 Y HN 0.459 nan 8.280 nan 0.000 0.456 225 L N 4.818 126.095 121.223 0.089 0.000 2.825 225 L HA 0.678 5.017 4.340 -0.001 0.000 0.236 225 L C 0.643 177.570 176.870 0.096 0.000 1.301 225 L CA 0.323 55.173 54.840 0.018 0.000 0.977 225 L CB -0.197 41.874 42.059 0.021 0.000 1.300 225 L HN 1.150 nan 8.230 nan 0.000 0.486 226 A N 0.516 123.442 122.820 0.177 0.000 5.938 226 A HA -0.127 4.192 4.320 -0.001 0.000 0.284 226 A C 0.395 178.056 177.584 0.128 0.000 1.994 226 A CA 1.304 53.442 52.037 0.169 0.000 0.717 226 A CB -0.679 18.376 19.000 0.091 0.000 1.191 226 A HN 0.622 nan 8.150 nan 0.000 0.377 227 E N 0.395 120.644 120.200 0.082 0.000 2.410 227 E HA 0.808 5.158 4.350 -0.001 0.000 0.269 227 E C -0.661 175.982 176.600 0.071 0.000 0.937 227 E CA -0.884 55.564 56.400 0.081 0.000 0.793 227 E CB 1.313 31.046 29.700 0.054 0.000 1.314 227 E HN 0.811 nan 8.360 nan 0.000 0.447 228 R N 0.242 120.804 120.500 0.103 0.000 2.744 228 R HA 0.379 4.718 4.340 -0.001 0.000 0.279 228 R C -1.054 175.332 176.300 0.143 0.000 0.977 228 R CA -0.860 55.298 56.100 0.096 0.000 0.906 228 R CB 1.654 32.014 30.300 0.101 0.000 1.197 228 R HN 0.535 nan 8.270 nan 0.000 0.463 229 D N 1.602 122.075 120.400 0.123 0.000 2.280 229 D HA 0.220 4.859 4.640 -0.001 0.000 0.236 229 D C -0.533 175.857 176.300 0.150 0.000 1.082 229 D CA -0.352 53.744 54.000 0.161 0.000 0.834 229 D CB 1.296 42.173 40.800 0.128 0.000 1.100 229 D HN 0.571 nan 8.370 nan 0.000 0.486 230 C N 2.976 122.372 119.300 0.160 0.000 2.751 230 C HA 0.229 4.688 4.460 -0.001 0.000 0.248 230 C C 1.773 176.752 174.990 -0.019 0.000 1.710 230 C CA -0.518 58.495 59.018 -0.009 0.000 1.676 230 C CB -1.110 26.490 27.740 -0.235 0.000 3.106 230 C HN 0.517 nan 8.230 nan 0.000 0.502 231 S N 0.950 116.715 115.700 0.108 0.000 2.461 231 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 231 S C 0.906 175.555 174.600 0.082 0.000 1.005 231 S CA 0.674 58.945 58.200 0.119 0.000 0.942 231 S CB -0.172 63.118 63.200 0.149 0.000 0.776 231 S HN 0.622 nan 8.310 nan 0.000 0.514 232 M N 3.198 122.849 119.600 0.084 0.000 2.455 232 M HA 0.204 4.683 4.480 -0.001 0.000 0.331 232 M C -0.490 175.813 176.300 0.005 0.000 1.481 232 M CA 0.350 55.693 55.300 0.072 0.000 1.362 232 M CB -0.670 31.969 32.600 0.064 0.000 1.564 232 M HN 0.122 nan 8.290 nan 0.000 0.458 233 Q N 2.801 122.594 119.800 -0.011 0.000 2.456 233 Q HA 0.649 4.988 4.340 -0.001 0.000 0.283 233 Q C -0.960 174.975 176.000 -0.108 0.000 1.084 233 Q CA -1.061 54.706 55.803 -0.060 0.000 0.801 233 Q CB 3.123 31.829 28.738 -0.052 0.000 1.434 233 Q HN 0.563 nan 8.270 nan 0.000 0.419 234 R N 1.006 121.409 120.500 -0.161 0.000 2.533 234 R HA 0.316 4.655 4.340 -0.001 0.000 0.288 234 R C -0.806 175.339 176.300 -0.259 0.000 1.039 234 R CA -0.340 55.607 56.100 -0.254 0.000 0.909 234 R CB 0.919 30.992 30.300 -0.379 0.000 1.195 234 R HN 0.727 nan 8.270 nan 0.000 0.438 235 R N 4.171 124.485 120.500 -0.309 0.000 3.416 235 R HA -0.204 4.135 4.340 -0.001 0.000 0.263 235 R C -0.533 175.656 176.300 -0.186 0.000 1.053 235 R CA 1.146 57.073 56.100 -0.287 0.000 0.705 235 R CB -1.829 28.383 30.300 -0.148 0.000 1.124 235 R HN 0.965 nan 8.270 nan 0.000 0.444 236 H N -3.291 115.758 119.070 -0.034 0.000 3.179 236 H HA -0.212 4.344 4.556 -0.001 0.000 0.250 236 H C 0.368 175.668 175.328 -0.046 0.000 1.142 236 H CA 1.768 57.802 56.048 -0.023 0.000 1.165 236 H CB -0.967 28.798 29.762 0.004 0.000 1.253 236 H HN 0.670 nan 8.280 nan 0.000 0.325 237 Q N 1.562 121.356 119.800 -0.010 0.000 2.290 237 Q HA 0.333 4.673 4.340 -0.001 0.000 0.259 237 Q C -0.363 175.597 176.000 -0.067 0.000 0.941 237 Q CA -0.630 55.151 55.803 -0.036 0.000 0.912 237 Q CB 1.049 29.761 28.738 -0.042 0.000 1.244 237 Q HN 0.220 nan 8.270 nan 0.000 0.441 238 K N 1.991 122.342 120.400 -0.081 0.000 2.382 238 K HA 0.085 4.404 4.320 -0.001 0.000 0.275 238 K C 0.210 176.771 176.600 -0.064 0.000 1.009 238 K CA -0.246 55.985 56.287 -0.093 0.000 0.970 238 K CB 1.179 33.599 32.500 -0.134 0.000 0.934 238 K HN 0.430 nan 8.250 nan 0.000 0.479 239 V N 1.531 121.416 119.914 -0.049 0.000 3.137 239 V HA 0.061 4.180 4.120 -0.001 0.000 0.236 239 V C -0.060 176.020 176.094 -0.022 0.000 1.260 239 V CA 0.072 62.356 62.300 -0.027 0.000 1.244 239 V CB 1.164 32.972 31.823 -0.026 0.000 1.016 239 V HN 0.439 nan 8.190 nan 0.000 0.477 240 V N 1.016 120.916 119.914 -0.024 0.000 2.709 240 V HA 0.622 4.741 4.120 -0.001 0.000 0.308 240 V C -1.146 174.967 176.094 0.032 0.000 1.062 240 V CA -0.538 61.759 62.300 -0.006 0.000 0.901 240 V CB 2.167 33.953 31.823 -0.062 0.000 1.003 240 V HN 0.453 nan 8.190 nan 0.000 0.425 241 E N 2.391 122.621 120.200 0.051 0.000 2.312 241 E HA 0.760 5.109 4.350 -0.001 0.000 0.267 241 E C -1.076 175.586 176.600 0.103 0.000 0.894 241 E CA -0.851 55.587 56.400 0.063 0.000 0.773 241 E CB 2.531 32.242 29.700 0.018 0.000 1.241 241 E HN 0.864 nan 8.360 nan 0.000 0.432 242 E N -0.053 120.208 120.200 0.101 0.000 2.413 242 E HA 0.849 5.199 4.350 -0.001 0.000 0.277 242 E C -1.600 174.979 176.600 -0.035 0.000 0.958 242 E CA -1.487 54.957 56.400 0.074 0.000 0.779 242 E CB 1.847 31.674 29.700 0.210 0.000 1.278 242 E HN 0.449 nan 8.360 nan 0.000 0.456 243 A N 1.901 124.588 122.820 -0.221 0.000 2.488 243 A HA 0.678 4.997 4.320 -0.001 0.000 0.298 243 A C -2.774 174.458 177.584 -0.586 0.000 1.044 243 A CA -1.543 50.345 52.037 -0.249 0.000 0.693 243 A CB 1.553 20.498 19.000 -0.093 0.000 1.272 243 A HN 0.521 nan 8.150 nan 0.000 0.402 244 P HA 0.382 nan 4.420 nan 0.000 0.277 244 P C -0.031 177.243 177.300 -0.043 0.000 1.276 244 P CA -0.094 62.939 63.100 -0.112 0.000 0.788 244 P CB 0.663 32.356 31.700 -0.012 0.000 1.114 245 A N 0.673 123.499 122.820 0.010 0.000 2.354 245 A HA 0.436 4.755 4.320 -0.001 0.000 0.281 245 A C -2.135 175.465 177.584 0.027 0.000 1.174 245 A CA -1.474 50.578 52.037 0.026 0.000 0.828 245 A CB -1.339 17.648 19.000 -0.022 0.000 1.099 245 A HN 0.345 nan 8.150 nan 0.000 0.516 246 P HA 0.190 nan 4.420 nan 0.000 0.262 246 P C 1.167 178.453 177.300 -0.023 0.000 1.182 246 P CA 1.982 65.080 63.100 -0.004 0.000 0.761 246 P CB 0.626 32.291 31.700 -0.058 0.000 0.795 247 G N 2.780 111.564 108.800 -0.026 0.000 2.225 247 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.254 247 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.254 247 G C 0.176 175.069 174.900 -0.012 0.000 0.988 247 G CA -0.455 44.642 45.100 -0.006 0.000 0.625 247 G HN 0.482 nan 8.290 nan 0.000 0.527 248 I N 3.350 123.889 120.570 -0.051 0.000 2.379 248 I HA 0.283 4.453 4.170 -0.001 0.000 0.290 248 I C 1.454 177.570 176.117 -0.001 0.000 1.063 248 I CA 0.288 61.553 61.300 -0.059 0.000 1.351 248 I CB -0.088 37.861 38.000 -0.084 0.000 1.410 248 I HN 0.357 nan 8.210 nan 0.000 0.505 249 T N 4.713 119.278 114.554 0.018 0.000 2.882 249 T HA 0.283 4.632 4.350 -0.001 0.000 0.287 249 T C -1.702 173.021 174.700 0.039 0.000 1.014 249 T CA -1.539 60.577 62.100 0.027 0.000 1.049 249 T CB 1.118 70.002 68.868 0.026 0.000 1.001 249 T HN 0.302 nan 8.240 nan 0.000 0.525 250 P HA -0.098 nan 4.420 nan 0.000 0.216 250 P C 1.177 178.514 177.300 0.061 0.000 1.150 250 P CA 1.089 64.223 63.100 0.058 0.000 0.843 250 P CB 0.074 31.807 31.700 0.055 0.000 0.787 251 E N -0.943 119.286 120.200 0.049 0.000 2.047 251 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 251 E C 1.858 178.496 176.600 0.063 0.000 0.987 251 E CA 0.677 57.106 56.400 0.049 0.000 0.799 251 E CB -1.264 28.454 29.700 0.029 0.000 0.752 251 E HN 0.080 nan 8.360 nan 0.000 0.449 252 L N 1.084 122.344 121.223 0.062 0.000 2.046 252 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 252 L C 2.314 179.241 176.870 0.094 0.000 1.077 252 L CA 1.797 56.703 54.840 0.111 0.000 0.747 252 L CB -0.390 41.746 42.059 0.128 0.000 0.896 252 L HN 0.005 nan 8.230 nan 0.000 0.432 253 R N -0.843 119.683 120.500 0.043 0.000 2.091 253 R HA -0.202 4.137 4.340 -0.001 0.000 0.238 253 R C 2.550 178.785 176.300 -0.108 0.000 1.136 253 R CA 1.707 57.795 56.100 -0.020 0.000 0.959 253 R CB -0.300 30.032 30.300 0.052 0.000 0.856 253 R HN 0.308 nan 8.270 nan 0.000 0.437 254 R N -0.668 119.823 120.500 -0.015 0.000 2.075 254 R HA -0.188 4.151 4.340 -0.001 0.000 0.232 254 R C 2.191 178.381 176.300 -0.183 0.000 1.126 254 R CA 1.763 57.837 56.100 -0.045 0.000 0.963 254 R CB -0.470 29.874 30.300 0.074 0.000 0.858 254 R HN 0.345 nan 8.270 nan 0.000 0.435 255 Y N 0.800 120.980 120.300 -0.201 0.000 2.070 255 Y HA -0.291 4.258 4.550 -0.001 0.000 0.280 255 Y C 2.099 177.782 175.900 -0.362 0.000 1.148 255 Y CA 2.009 59.979 58.100 -0.215 0.000 1.125 255 Y CB -0.365 38.019 38.460 -0.127 0.000 0.975 255 Y HN 0.044 nan 8.280 nan 0.000 0.492 256 I N 0.870 121.163 120.570 -0.461 0.000 2.353 256 I HA -0.057 4.113 4.170 -0.001 0.000 0.248 256 I C 2.465 178.092 176.117 -0.815 0.000 1.119 256 I CA 1.651 62.460 61.300 -0.819 0.000 1.417 256 I CB -1.089 36.123 38.000 -1.313 0.000 1.078 256 I HN 0.386 nan 8.210 nan 0.000 0.421 257 G N -0.255 108.008 108.800 -0.896 0.000 2.459 257 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 257 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 257 G C 1.580 175.776 174.900 -1.173 0.000 1.183 257 G CA 0.919 45.156 45.100 -1.439 0.000 0.776 257 G HN 0.486 nan 8.290 nan 0.000 0.552 258 E N -0.082 119.593 120.200 -0.876 0.000 2.153 258 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 258 E C 2.755 179.125 176.600 -0.383 0.000 0.988 258 E CA 0.400 56.552 56.400 -0.413 0.000 0.811 258 E CB -0.055 29.491 29.700 -0.256 0.000 0.746 258 E HN 0.347 nan 8.360 nan 0.000 0.466 259 R N -0.113 120.074 120.500 -0.523 0.000 2.090 259 R HA -0.055 4.284 4.340 -0.001 0.000 0.228 259 R C 2.420 178.437 176.300 -0.471 0.000 1.110 259 R CA 1.039 56.854 56.100 -0.475 0.000 0.973 259 R CB -0.215 29.742 30.300 -0.570 0.000 0.869 259 R HN 0.228 nan 8.270 nan 0.000 0.440 260 C N -0.054 118.904 119.300 -0.570 0.000 2.453 260 C HA -0.022 4.437 4.460 -0.001 0.000 0.277 260 C C 2.896 177.644 174.990 -0.403 0.000 1.262 260 C CA 0.776 59.321 59.018 -0.789 0.000 1.718 260 C CB -0.878 26.412 27.740 -0.751 0.000 2.031 260 C HN 0.586 nan 8.230 nan 0.000 0.480 261 A N 0.492 123.202 122.820 -0.185 0.000 1.908 261 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 261 A C 2.287 179.850 177.584 -0.034 0.000 1.181 261 A CA 2.012 54.045 52.037 -0.006 0.000 0.627 261 A CB -0.578 18.483 19.000 0.102 0.000 0.818 261 A HN 0.585 nan 8.150 nan 0.000 0.445 262 K N 0.037 120.373 120.400 -0.105 0.000 2.057 262 K HA -0.081 4.238 4.320 -0.001 0.000 0.207 262 K C 2.172 178.723 176.600 -0.082 0.000 1.049 262 K CA 1.412 57.645 56.287 -0.090 0.000 0.931 262 K CB -0.495 31.930 32.500 -0.125 0.000 0.714 262 K HN 0.350 nan 8.250 nan 0.000 0.440 263 A N 1.067 123.799 122.820 -0.146 0.000 1.940 263 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 263 A C 2.640 180.245 177.584 0.035 0.000 1.176 263 A CA 1.818 53.793 52.037 -0.103 0.000 0.631 263 A CB -1.090 17.769 19.000 -0.235 0.000 0.814 263 A HN 0.537 nan 8.150 nan 0.000 0.446 264 C N -1.296 118.060 119.300 0.094 0.000 2.413 264 C HA -0.096 4.363 4.460 -0.001 0.000 0.276 264 C C 2.741 177.818 174.990 0.145 0.000 1.248 264 C CA 1.177 60.307 59.018 0.186 0.000 1.742 264 C CB -1.331 26.539 27.740 0.217 0.000 2.017 264 C HN 0.482 nan 8.230 nan 0.000 0.481 265 V N 1.046 121.008 119.914 0.079 0.000 2.358 265 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 265 V C 2.105 178.224 176.094 0.041 0.000 1.047 265 V CA 2.262 64.595 62.300 0.054 0.000 1.035 265 V CB -0.741 31.097 31.823 0.025 0.000 0.658 265 V HN 0.446 nan 8.190 nan 0.000 0.452 266 D N 0.485 120.899 120.400 0.024 0.000 2.123 266 D HA -0.133 4.506 4.640 -0.001 0.000 0.196 266 D C 1.837 178.153 176.300 0.026 0.000 0.992 266 D CA 1.866 55.872 54.000 0.010 0.000 0.833 266 D CB -0.212 40.579 40.800 -0.016 0.000 0.954 266 D HN 0.655 nan 8.370 nan 0.000 0.455 267 I N -3.691 116.912 120.570 0.055 0.000 3.793 267 I HA 0.321 4.490 4.170 -0.001 0.000 0.315 267 I C 0.969 177.142 176.117 0.093 0.000 1.275 267 I CA 0.353 61.696 61.300 0.070 0.000 1.214 267 I CB -0.089 37.964 38.000 0.089 0.000 1.018 267 I HN -0.010 nan 8.210 nan 0.000 0.439 268 G N 1.803 110.657 108.800 0.091 0.000 2.295 268 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.287 268 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.287 268 G C -0.035 174.924 174.900 0.099 0.000 1.055 268 G CA 0.295 45.439 45.100 0.074 0.000 0.922 268 G HN 0.697 nan 8.290 nan 0.000 0.503 269 Y N 0.194 120.513 120.300 0.032 0.000 2.480 269 Y HA 0.447 4.996 4.550 -0.001 0.000 0.338 269 Y C 0.967 176.884 175.900 0.027 0.000 1.220 269 Y CA 0.163 58.283 58.100 0.033 0.000 1.430 269 Y CB 0.552 39.044 38.460 0.054 0.000 1.311 269 Y HN 0.378 nan 8.280 nan 0.000 0.575 270 R N 3.919 124.008 120.500 -0.685 0.000 2.514 270 R HA 0.534 4.873 4.340 -0.001 0.000 0.296 270 R C -0.415 175.561 176.300 -0.539 0.000 1.012 270 R CA 0.286 56.141 56.100 -0.408 0.000 0.897 270 R CB 1.033 31.186 30.300 -0.245 0.000 1.184 270 R HN 1.025 nan 8.270 nan 0.000 0.440 271 G N 2.056 110.721 108.800 -0.226 0.000 2.472 271 G HA2 0.022 3.981 3.960 -0.001 0.000 0.205 271 G HA3 0.022 3.981 3.960 -0.001 0.000 0.205 271 G C -1.104 173.847 174.900 0.085 0.000 1.270 271 G CA -0.432 44.597 45.100 -0.119 0.000 0.974 271 G HN 0.828 nan 8.290 nan 0.000 0.542 272 A N -0.396 122.478 122.820 0.090 0.000 2.354 272 A HA 0.947 5.266 4.320 -0.001 0.000 0.269 272 A C 0.822 178.580 177.584 0.290 0.000 1.109 272 A CA 1.164 53.298 52.037 0.161 0.000 0.800 272 A CB 0.968 20.007 19.000 0.066 0.000 1.045 272 A HN 2.555 nan 8.150 nan 0.000 0.489 273 G N -0.453 108.466 108.800 0.198 0.000 2.660 273 G HA2 0.603 4.562 3.960 -0.001 0.000 0.290 273 G HA3 0.603 4.562 3.960 -0.001 0.000 0.290 273 G C -1.162 173.676 174.900 -0.103 0.000 1.432 273 G CA -0.360 44.736 45.100 -0.007 0.000 0.807 273 G HN 0.793 nan 8.290 nan 0.000 0.485 274 T N 0.560 114.988 114.554 -0.209 0.000 2.928 274 T HA 0.500 4.849 4.350 -0.001 0.000 0.296 274 T C -1.291 173.253 174.700 -0.260 0.000 1.000 274 T CA -0.184 61.853 62.100 -0.104 0.000 0.989 274 T CB 1.027 69.901 68.868 0.009 0.000 1.005 274 T HN 0.295 nan 8.240 nan 0.000 0.442 275 F N 2.386 122.344 119.950 0.012 0.000 2.404 275 F HA 0.341 4.867 4.527 -0.002 0.000 0.358 275 F C 1.096 176.812 175.800 -0.141 0.000 1.120 275 F CA -0.770 57.206 58.000 -0.040 0.000 1.144 275 F CB 0.773 39.805 39.000 0.054 0.000 1.133 275 F HN 0.421 nan 8.300 nan 0.000 0.495 276 E N 3.979 124.053 120.200 -0.209 0.000 2.200 276 E HA 0.400 4.749 4.350 -0.001 0.000 0.283 276 E C -1.166 175.107 176.600 -0.544 0.000 1.015 276 E CA -0.438 55.797 56.400 -0.275 0.000 0.819 276 E CB 1.227 30.792 29.700 -0.226 0.000 1.081 276 E HN 0.342 nan 8.360 nan 0.000 0.397 277 F N 1.656 121.544 119.950 -0.103 0.000 2.561 277 F HA 0.381 4.908 4.527 -0.001 0.000 0.321 277 F C -0.000 175.798 175.800 -0.002 0.000 1.065 277 F CA -0.977 57.060 58.000 0.063 0.000 0.934 277 F CB 1.064 40.279 39.000 0.359 0.000 1.215 277 F HN 0.172 nan 8.300 nan 0.000 0.471 278 L N 2.777 124.175 121.223 0.292 0.000 2.276 278 L HA 0.336 4.675 4.340 -0.001 0.000 0.286 278 L C -0.959 176.150 176.870 0.399 0.000 1.061 278 L CA -0.419 54.571 54.840 0.249 0.000 0.807 278 L CB 0.974 43.123 42.059 0.150 0.000 1.177 278 L HN 0.542 nan 8.230 nan 0.000 0.429 279 F N 3.991 124.001 119.950 0.100 0.000 2.402 279 F HA 0.461 4.986 4.527 -0.003 0.000 0.355 279 F C -0.165 175.615 175.800 -0.034 0.000 1.123 279 F CA -0.225 57.728 58.000 -0.079 0.000 1.021 279 F CB 1.033 39.869 39.000 -0.273 0.000 1.160 279 F HN 0.469 nan 8.300 nan 0.000 0.451 280 E N 4.577 124.488 120.200 -0.483 0.000 2.321 280 E HA 0.197 4.546 4.350 -0.001 0.000 0.278 280 E C -0.648 175.691 176.600 -0.436 0.000 0.902 280 E CA -0.770 55.403 56.400 -0.379 0.000 0.758 280 E CB 1.366 30.991 29.700 -0.125 0.000 1.213 280 E HN 0.679 nan 8.360 nan 0.000 0.426 281 N N 2.720 121.190 118.700 -0.383 0.000 2.725 281 N HA -0.227 4.512 4.740 -0.001 0.000 0.251 281 N C 0.396 175.689 175.510 -0.361 0.000 1.031 281 N CA 1.935 54.821 53.050 -0.274 0.000 0.720 281 N CB -1.312 37.092 38.487 -0.139 0.000 0.930 281 N HN 0.954 nan 8.380 nan 0.000 0.543 282 G N -1.348 107.070 108.800 -0.635 0.000 2.166 282 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.260 282 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.260 282 G C -0.394 174.216 174.900 -0.483 0.000 0.986 282 G CA 0.803 45.600 45.100 -0.504 0.000 0.683 282 G HN 0.575 nan 8.290 nan 0.000 0.527 283 E N -0.713 119.081 120.200 -0.677 0.000 2.222 283 E HA 0.585 4.934 4.350 -0.001 0.000 0.267 283 E C -0.622 175.674 176.600 -0.507 0.000 0.884 283 E CA -0.807 55.321 56.400 -0.454 0.000 0.764 283 E CB 1.286 30.764 29.700 -0.371 0.000 1.169 283 E HN 0.129 nan 8.360 nan 0.000 0.413 284 F N 1.579 121.399 119.950 -0.215 0.000 2.394 284 F HA 0.297 4.823 4.527 -0.001 0.000 0.340 284 F C -0.150 175.491 175.800 -0.265 0.000 1.105 284 F CA -0.371 57.573 58.000 -0.093 0.000 1.124 284 F CB 0.704 39.514 39.000 -0.317 0.000 1.145 284 F HN 0.310 nan 8.300 nan 0.000 0.505 285 Y N 3.255 123.895 120.300 0.567 0.000 2.327 285 Y HA 0.254 4.803 4.550 -0.002 0.000 0.325 285 Y C -0.370 175.835 175.900 0.509 0.000 0.999 285 Y CA -1.361 57.019 58.100 0.468 0.000 1.195 285 Y CB 1.050 39.652 38.460 0.237 0.000 1.132 285 Y HN 0.482 nan 8.280 nan 0.000 0.455 286 F N 5.770 125.977 119.950 0.427 0.000 2.578 286 F HA 0.175 4.701 4.527 -0.002 0.000 0.376 286 F C 0.902 176.701 175.800 -0.002 0.000 1.085 286 F CA 0.249 58.204 58.000 -0.074 0.000 1.260 286 F CB 0.603 39.550 39.000 -0.090 0.000 1.095 286 F HN 0.586 nan 8.300 nan 0.000 0.573 287 I N 0.382 120.404 120.570 -0.914 0.000 4.338 287 I HA 0.455 4.624 4.170 -0.001 0.000 0.315 287 I C -0.410 175.132 176.117 -0.958 0.000 1.262 287 I CA -0.145 60.764 61.300 -0.652 0.000 1.298 287 I CB 0.451 38.292 38.000 -0.266 0.000 1.257 287 I HN 0.555 nan 8.210 nan 0.000 0.444 288 E N 1.278 120.679 120.200 -1.332 0.000 2.380 288 E HA 0.431 4.780 4.350 -0.001 0.000 0.281 288 E C -1.712 174.587 176.600 -0.502 0.000 0.999 288 E CA -0.682 55.264 56.400 -0.757 0.000 0.800 288 E CB 2.615 32.119 29.700 -0.326 0.000 1.228 288 E HN 0.206 nan 8.360 nan 0.000 0.436 289 M N 3.614 123.156 119.600 -0.097 0.000 2.167 289 M HA 0.426 4.906 4.480 -0.001 0.000 0.333 289 M C -1.409 174.792 176.300 -0.165 0.000 1.030 289 M CA -0.702 54.494 55.300 -0.174 0.000 0.963 289 M CB 0.858 33.300 32.600 -0.263 0.000 1.589 289 M HN 0.379 nan 8.290 nan 0.000 0.431 290 N N 3.266 121.866 118.700 -0.167 0.000 2.430 290 N HA 0.161 4.900 4.740 -0.001 0.000 0.265 290 N C -0.206 175.268 175.510 -0.059 0.000 1.100 290 N CA 0.043 53.048 53.050 -0.074 0.000 0.961 290 N CB 1.218 39.685 38.487 -0.033 0.000 1.075 290 N HN 0.564 nan 8.380 nan 0.000 0.478 291 T N 0.480 115.057 114.554 0.039 0.000 3.540 291 T HA 0.501 4.850 4.350 -0.001 0.000 0.269 291 T C 0.267 175.091 174.700 0.207 0.000 1.481 291 T CA -0.737 61.474 62.100 0.185 0.000 1.224 291 T CB -0.476 68.536 68.868 0.240 0.000 1.192 291 T HN 0.723 nan 8.240 nan 0.000 0.756 292 R N -0.827 119.771 120.500 0.163 0.000 2.829 292 R HA 0.529 4.868 4.340 -0.001 0.000 0.284 292 R C -1.531 174.835 176.300 0.110 0.000 1.006 292 R CA -1.225 54.953 56.100 0.130 0.000 0.844 292 R CB 0.034 30.423 30.300 0.149 0.000 1.309 292 R HN 0.141 nan 8.270 nan 0.000 0.494 293 I N 1.177 121.810 120.570 0.106 0.000 2.892 293 I HA 0.047 4.216 4.170 -0.001 0.000 0.287 293 I C -0.167 176.037 176.117 0.146 0.000 1.205 293 I CA 0.635 61.986 61.300 0.086 0.000 1.409 293 I CB 0.743 38.752 38.000 0.015 0.000 1.367 293 I HN 0.469 nan 8.210 nan 0.000 0.597 294 Q N 3.986 123.865 119.800 0.131 0.000 2.248 294 Q HA 0.301 4.640 4.340 -0.001 0.000 0.263 294 Q C 0.962 177.030 176.000 0.114 0.000 1.007 294 Q CA -0.830 55.020 55.803 0.078 0.000 0.877 294 Q CB 2.007 30.773 28.738 0.048 0.000 1.315 294 Q HN 0.594 nan 8.270 nan 0.000 0.454 295 V N 1.369 121.130 119.914 -0.255 0.000 2.278 295 V HA -0.282 3.837 4.120 -0.001 0.000 0.251 295 V C 1.750 177.801 176.094 -0.073 0.000 1.062 295 V CA 2.345 64.434 62.300 -0.352 0.000 1.038 295 V CB -0.491 31.006 31.823 -0.543 0.000 0.646 295 V HN 0.838 nan 8.190 nan 0.000 0.447 296 E N 0.904 121.065 120.200 -0.065 0.000 2.403 296 E HA -0.128 4.221 4.350 -0.001 0.000 0.187 296 E C 1.641 178.217 176.600 -0.040 0.000 1.073 296 E CA 0.261 56.621 56.400 -0.066 0.000 0.888 296 E CB -0.779 28.895 29.700 -0.043 0.000 1.035 296 E HN 0.911 nan 8.360 nan 0.000 0.471 297 H N 0.729 119.806 119.070 0.012 0.000 2.422 297 H HA 0.021 4.576 4.556 -0.001 0.000 0.298 297 H C -0.987 174.358 175.328 0.028 0.000 1.098 297 H CA 0.932 56.999 56.048 0.032 0.000 1.315 297 H CB -1.653 28.138 29.762 0.050 0.000 1.382 297 H HN 0.166 nan 8.280 nan 0.000 0.523 298 P HA -0.154 nan 4.420 nan 0.000 0.218 298 P C 2.288 179.541 177.300 -0.078 0.000 1.148 298 P CA 1.993 64.935 63.100 -0.264 0.000 0.822 298 P CB -0.253 31.274 31.700 -0.288 0.000 0.784 299 V N -3.771 116.114 119.914 -0.048 0.000 2.490 299 V HA -0.211 3.908 4.120 -0.001 0.000 0.250 299 V C 1.876 177.978 176.094 0.013 0.000 1.061 299 V CA 2.498 64.798 62.300 0.000 0.000 1.064 299 V CB -2.189 29.635 31.823 0.002 0.000 0.670 299 V HN 0.063 nan 8.190 nan 0.000 0.461 300 T N 0.370 114.938 114.554 0.023 0.000 2.857 300 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 300 T C 1.800 176.519 174.700 0.033 0.000 1.048 300 T CA 1.772 63.896 62.100 0.039 0.000 1.139 300 T CB -0.279 68.630 68.868 0.068 0.000 0.874 300 T HN 0.689 nan 8.240 nan 0.000 0.455 301 E N 0.903 121.125 120.200 0.036 0.000 2.077 301 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 301 E C 2.218 178.801 176.600 -0.028 0.000 0.989 301 E CA 0.979 57.392 56.400 0.022 0.000 0.800 301 E CB -0.165 29.562 29.700 0.044 0.000 0.746 301 E HN 0.346 nan 8.360 nan 0.000 0.452 302 M N 0.438 120.015 119.600 -0.038 0.000 2.117 302 M HA -0.115 4.365 4.480 -0.001 0.000 0.262 302 M C 2.564 178.764 176.300 -0.166 0.000 1.065 302 M CA 1.344 56.567 55.300 -0.129 0.000 1.114 302 M CB -0.910 31.686 32.600 -0.006 0.000 1.361 302 M HN 0.227 nan 8.290 nan 0.000 0.408 303 I N -2.624 117.953 120.570 0.013 0.000 3.419 303 I HA 0.019 4.189 4.170 -0.001 0.000 0.286 303 I C 1.751 177.895 176.117 0.045 0.000 1.268 303 I CA 1.134 62.490 61.300 0.093 0.000 1.414 303 I CB -0.520 37.544 38.000 0.106 0.000 1.074 303 I HN 0.230 nan 8.210 nan 0.000 0.457 304 T N -3.497 111.061 114.554 0.007 0.000 2.969 304 T HA 0.437 4.786 4.350 -0.001 0.000 0.250 304 T C 1.662 176.355 174.700 -0.011 0.000 1.021 304 T CA 0.502 62.605 62.100 0.004 0.000 1.003 304 T CB 0.474 69.338 68.868 -0.007 0.000 1.040 304 T HN 0.575 nan 8.240 nan 0.000 0.492 305 G N 1.137 109.916 108.800 -0.035 0.000 2.179 305 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.260 305 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.260 305 G C 0.064 174.954 174.900 -0.016 0.000 0.977 305 G CA 0.076 45.154 45.100 -0.035 0.000 0.641 305 G HN 0.750 nan 8.290 nan 0.000 0.533 306 V N 1.639 121.549 119.914 -0.008 0.000 2.461 306 V HA 0.398 4.517 4.120 -0.001 0.000 0.275 306 V C 0.240 176.347 176.094 0.022 0.000 1.047 306 V CA -0.579 61.722 62.300 0.002 0.000 0.955 306 V CB 1.776 33.598 31.823 -0.002 0.000 0.988 306 V HN 0.326 nan 8.190 nan 0.000 0.471 307 D N 4.515 124.928 120.400 0.022 0.000 2.393 307 D HA 0.188 4.827 4.640 -0.001 0.000 0.232 307 D C 0.932 177.254 176.300 0.037 0.000 1.192 307 D CA -0.011 54.011 54.000 0.037 0.000 0.882 307 D CB 1.181 41.996 40.800 0.025 0.000 1.038 307 D HN 0.459 nan 8.370 nan 0.000 0.499 308 L N 3.915 125.174 121.223 0.059 0.000 2.093 308 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 308 L C 2.111 178.975 176.870 -0.009 0.000 1.085 308 L CA 0.464 55.322 54.840 0.031 0.000 0.755 308 L CB -0.108 41.982 42.059 0.051 0.000 0.904 308 L HN 0.511 nan 8.230 nan 0.000 0.435 309 I N 0.062 120.619 120.570 -0.023 0.000 2.202 309 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 309 I C 2.407 178.533 176.117 0.014 0.000 1.091 309 I CA 1.520 62.811 61.300 -0.016 0.000 1.368 309 I CB -0.983 36.990 38.000 -0.044 0.000 1.058 309 I HN 0.242 nan 8.210 nan 0.000 0.410 310 K N 0.512 120.918 120.400 0.011 0.000 2.097 310 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 310 K C 1.999 178.600 176.600 0.003 0.000 1.049 310 K CA 1.050 57.343 56.287 0.009 0.000 0.933 310 K CB 0.010 32.515 32.500 0.009 0.000 0.717 310 K HN 0.233 nan 8.250 nan 0.000 0.442 311 E N 1.063 121.265 120.200 0.003 0.000 2.077 311 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 311 E C 2.036 178.628 176.600 -0.014 0.000 0.989 311 E CA 1.179 57.578 56.400 -0.003 0.000 0.800 311 E CB -0.177 29.525 29.700 0.003 0.000 0.746 311 E HN 0.381 nan 8.360 nan 0.000 0.452 312 Q N 0.238 120.028 119.800 -0.017 0.000 2.077 312 Q HA -0.159 4.181 4.340 -0.001 0.000 0.206 312 Q C 2.471 178.431 176.000 -0.067 0.000 0.989 312 Q CA 1.271 57.042 55.803 -0.053 0.000 0.853 312 Q CB -0.252 28.455 28.738 -0.052 0.000 0.907 312 Q HN 0.281 nan 8.270 nan 0.000 0.418 313 L N -0.157 121.050 121.223 -0.027 0.000 2.056 313 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 313 L C 2.517 179.371 176.870 -0.028 0.000 1.078 313 L CA 1.145 55.971 54.840 -0.023 0.000 0.749 313 L CB -0.343 41.720 42.059 0.007 0.000 0.901 313 L HN 0.147 nan 8.230 nan 0.000 0.433 314 R N 0.090 120.577 120.500 -0.021 0.000 2.075 314 R HA -0.099 4.240 4.340 -0.001 0.000 0.232 314 R C 2.314 178.598 176.300 -0.026 0.000 1.126 314 R CA 1.300 57.389 56.100 -0.019 0.000 0.963 314 R CB -0.378 29.915 30.300 -0.013 0.000 0.858 314 R HN 0.290 nan 8.270 nan 0.000 0.435 315 I N 0.643 121.193 120.570 -0.034 0.000 2.226 315 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 315 I C 2.581 178.666 176.117 -0.054 0.000 1.100 315 I CA 1.359 62.633 61.300 -0.042 0.000 1.374 315 I CB -0.362 37.609 38.000 -0.049 0.000 1.057 315 I HN 0.203 nan 8.210 nan 0.000 0.413 316 A N 0.590 123.368 122.820 -0.070 0.000 1.933 316 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 316 A C 2.430 179.987 177.584 -0.045 0.000 1.175 316 A CA 1.627 53.620 52.037 -0.075 0.000 0.628 316 A CB -0.771 18.164 19.000 -0.108 0.000 0.814 316 A HN 0.431 nan 8.150 nan 0.000 0.444 317 A N -1.759 121.041 122.820 -0.034 0.000 2.216 317 A HA 0.349 4.668 4.320 -0.001 0.000 0.214 317 A C 1.841 179.413 177.584 -0.021 0.000 1.160 317 A CA 1.425 53.449 52.037 -0.022 0.000 0.725 317 A CB -0.990 18.000 19.000 -0.016 0.000 0.784 317 A HN 1.939 nan 8.150 nan 0.000 0.472 318 G N -1.663 107.122 108.800 -0.025 0.000 2.141 318 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.231 318 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.231 318 G C -0.057 174.832 174.900 -0.019 0.000 0.984 318 G CA 0.154 45.241 45.100 -0.023 0.000 0.660 318 G HN 0.626 nan 8.290 nan 0.000 0.525 319 Q N 1.217 121.006 119.800 -0.018 0.000 2.288 319 Q HA 0.429 4.768 4.340 -0.001 0.000 0.254 319 Q C -2.013 173.979 176.000 -0.014 0.000 0.932 319 Q CA -1.648 54.147 55.803 -0.014 0.000 0.902 319 Q CB 1.543 30.274 28.738 -0.013 0.000 1.203 319 Q HN 0.298 nan 8.270 nan 0.000 0.415 320 P HA 0.016 nan 4.420 nan 0.000 0.272 320 P C -0.509 176.786 177.300 -0.008 0.000 1.240 320 P CA -0.218 62.877 63.100 -0.009 0.000 0.791 320 P CB 0.674 32.370 31.700 -0.007 0.000 0.978 321 L N 1.299 122.519 121.223 -0.005 0.000 2.513 321 L HA -0.028 4.311 4.340 -0.001 0.000 0.272 321 L C 1.923 178.786 176.870 -0.011 0.000 1.187 321 L CA 0.240 55.076 54.840 -0.007 0.000 0.895 321 L CB -0.024 42.032 42.059 -0.004 0.000 1.147 321 L HN 0.519 nan 8.230 nan 0.000 0.483 322 S N 3.296 118.988 115.700 -0.013 0.000 2.439 322 S HA 0.107 4.576 4.470 -0.001 0.000 0.224 322 S C 0.722 175.309 174.600 -0.021 0.000 1.029 322 S CA -0.149 58.043 58.200 -0.014 0.000 0.946 322 S CB -0.080 63.114 63.200 -0.011 0.000 0.797 322 S HN 0.468 nan 8.310 nan 0.000 0.504 323 I N 3.047 123.601 120.570 -0.027 0.000 2.505 323 I HA 0.150 4.319 4.170 -0.001 0.000 0.287 323 I C 0.204 176.287 176.117 -0.056 0.000 1.104 323 I CA -0.139 61.135 61.300 -0.044 0.000 1.387 323 I CB 0.458 38.428 38.000 -0.050 0.000 1.404 323 I HN 0.113 nan 8.210 nan 0.000 0.528 324 K N 4.486 124.848 120.400 -0.063 0.000 2.126 324 K HA 0.128 4.448 4.320 -0.001 0.000 0.257 324 K C 0.743 177.269 176.600 -0.123 0.000 1.007 324 K CA -0.579 55.666 56.287 -0.071 0.000 0.928 324 K CB 0.763 33.232 32.500 -0.052 0.000 1.013 324 K HN 0.356 nan 8.250 nan 0.000 0.473 325 Q N 1.548 121.268 119.800 -0.134 0.000 2.135 325 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 325 Q C 0.755 176.607 176.000 -0.248 0.000 0.981 325 Q CA 1.874 57.544 55.803 -0.221 0.000 0.856 325 Q CB 0.036 28.663 28.738 -0.185 0.000 0.902 325 Q HN 0.567 nan 8.270 nan 0.000 0.425 326 E N -0.078 120.024 120.200 -0.162 0.000 2.418 326 E HA -0.116 4.233 4.350 -0.001 0.000 0.197 326 E C 1.177 177.620 176.600 -0.261 0.000 1.026 326 E CA 0.939 57.251 56.400 -0.145 0.000 0.862 326 E CB 0.061 29.741 29.700 -0.032 0.000 0.799 326 E HN 0.521 nan 8.360 nan 0.000 0.518 327 E N 0.038 120.078 120.200 -0.267 0.000 2.447 327 E HA 0.040 4.389 4.350 -0.001 0.000 0.195 327 E C -0.258 176.063 176.600 -0.465 0.000 1.028 327 E CA 0.018 56.260 56.400 -0.263 0.000 0.876 327 E CB 0.649 30.286 29.700 -0.105 0.000 0.885 327 E HN 0.014 nan 8.360 nan 0.000 0.500 328 V N 3.241 122.843 119.914 -0.519 0.000 2.408 328 V HA 0.089 4.209 4.120 -0.001 0.000 0.267 328 V C -0.287 175.472 176.094 -0.559 0.000 1.047 328 V CA -0.130 61.918 62.300 -0.420 0.000 0.937 328 V CB 0.298 31.920 31.823 -0.335 0.000 0.999 328 V HN 0.205 nan 8.190 nan 0.000 0.472 329 H N 3.000 122.045 119.070 -0.041 0.000 2.689 329 H HA 0.389 4.944 4.556 -0.002 0.000 0.346 329 H C -0.630 174.701 175.328 0.004 0.000 1.037 329 H CA -0.684 55.355 56.048 -0.015 0.000 1.234 329 H CB 2.180 31.941 29.762 -0.003 0.000 1.572 329 H HN 0.373 nan 8.280 nan 0.000 0.524 330 V N 4.195 124.189 119.914 0.133 0.000 2.479 330 V HA 0.138 4.257 4.120 -0.001 0.000 0.281 330 V C 0.719 176.884 176.094 0.118 0.000 1.031 330 V CA 0.189 62.550 62.300 0.102 0.000 1.038 330 V CB 0.326 32.199 31.823 0.083 0.000 0.981 330 V HN 0.586 nan 8.190 nan 0.000 0.478 331 R N 3.787 124.367 120.500 0.133 0.000 2.532 331 R HA 0.616 4.956 4.340 -0.001 0.000 0.297 331 R C 0.413 176.862 176.300 0.249 0.000 0.984 331 R CA 0.493 56.686 56.100 0.156 0.000 0.884 331 R CB 1.685 32.074 30.300 0.147 0.000 1.182 331 R HN 0.994 nan 8.270 nan 0.000 0.442 332 G N 2.163 111.059 108.800 0.160 0.000 2.601 332 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.252 332 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.252 332 G C -1.112 173.826 174.900 0.063 0.000 1.294 332 G CA 0.348 45.468 45.100 0.033 0.000 0.912 332 G HN 0.857 nan 8.290 nan 0.000 0.574 333 H N -0.923 117.999 119.070 -0.247 0.000 3.038 333 H HA 0.680 5.238 4.556 0.003 0.000 0.362 333 H C -0.132 175.135 175.328 -0.102 0.000 1.167 333 H CA 0.449 56.429 56.048 -0.114 0.000 1.197 333 H CB 1.511 31.189 29.762 -0.142 0.000 1.840 333 H HN 1.447 nan 8.280 nan 0.000 0.540 334 A N 3.365 126.150 122.820 -0.058 0.000 2.435 334 A HA 0.704 5.023 4.320 -0.001 0.000 0.304 334 A C -1.444 176.197 177.584 0.095 0.000 1.064 334 A CA -0.584 51.511 52.037 0.097 0.000 0.727 334 A CB 1.490 20.583 19.000 0.155 0.000 1.284 334 A HN 0.415 nan 8.150 nan 0.000 0.415 335 V N 1.259 121.265 119.914 0.153 0.000 2.680 335 V HA 0.565 4.684 4.120 -0.001 0.000 0.309 335 V C -0.203 175.964 176.094 0.122 0.000 1.052 335 V CA -0.530 61.873 62.300 0.171 0.000 0.908 335 V CB 1.753 33.723 31.823 0.246 0.000 1.001 335 V HN 0.987 nan 8.190 nan 0.000 0.431 336 E N 2.619 122.876 120.200 0.096 0.000 2.187 336 E HA 0.509 4.858 4.350 -0.001 0.000 0.268 336 E C -1.596 175.039 176.600 0.058 0.000 0.896 336 E CA -0.445 55.994 56.400 0.065 0.000 0.766 336 E CB 1.653 31.365 29.700 0.021 0.000 1.142 336 E HN 0.743 nan 8.360 nan 0.000 0.408 337 C N 4.861 124.202 119.300 0.068 0.000 2.281 337 C HA 0.450 4.909 4.460 -0.001 0.000 0.323 337 C C 0.118 175.150 174.990 0.070 0.000 1.270 337 C CA -0.736 58.316 59.018 0.057 0.000 1.559 337 C CB 0.112 27.894 27.740 0.070 0.000 2.239 337 C HN 0.733 nan 8.230 nan 0.000 0.488 338 R N 3.046 123.571 120.500 0.043 0.000 2.442 338 R HA 0.364 4.704 4.340 -0.001 0.000 0.291 338 R C -0.416 175.935 176.300 0.085 0.000 1.069 338 R CA -0.059 56.068 56.100 0.044 0.000 1.022 338 R CB 0.404 30.715 30.300 0.018 0.000 0.976 338 R HN 0.534 nan 8.270 nan 0.000 0.443 339 I N 3.417 124.053 120.570 0.110 0.000 2.321 339 I HA 0.239 4.408 4.170 -0.001 0.000 0.291 339 I C 0.013 176.205 176.117 0.124 0.000 0.998 339 I CA -0.438 60.956 61.300 0.156 0.000 1.227 339 I CB 0.964 39.135 38.000 0.286 0.000 1.368 339 I HN 0.524 nan 8.210 nan 0.000 0.466 340 N N 4.343 123.114 118.700 0.118 0.000 2.284 340 N HA 0.485 5.224 4.740 -0.001 0.000 0.300 340 N C -0.455 175.114 175.510 0.100 0.000 1.047 340 N CA -0.547 52.569 53.050 0.109 0.000 0.821 340 N CB 2.874 41.427 38.487 0.110 0.000 1.337 340 N HN 0.622 nan 8.380 nan 0.000 0.482 341 A N 2.303 125.181 122.820 0.096 0.000 2.915 341 A HA 0.192 4.511 4.320 -0.001 0.000 0.292 341 A C 0.071 177.690 177.584 0.058 0.000 1.632 341 A CA -0.055 52.027 52.037 0.075 0.000 1.337 341 A CB -0.564 18.483 19.000 0.079 0.000 1.111 341 A HN 0.742 nan 8.150 nan 0.000 0.569 342 E N 0.913 121.139 120.200 0.044 0.000 2.366 342 E HA 0.319 4.668 4.350 -0.001 0.000 0.278 342 E C -1.669 174.912 176.600 -0.032 0.000 0.923 342 E CA -0.999 55.417 56.400 0.026 0.000 0.761 342 E CB 1.053 30.799 29.700 0.076 0.000 1.231 342 E HN 0.135 nan 8.360 nan 0.000 0.443 343 D N 2.896 123.258 120.400 -0.064 0.000 2.346 343 D HA 0.113 4.752 4.640 -0.001 0.000 0.260 343 D C -1.573 174.556 176.300 -0.286 0.000 1.252 343 D CA -2.241 51.683 54.000 -0.128 0.000 0.895 343 D CB 1.365 42.103 40.800 -0.104 0.000 1.097 343 D HN 0.189 nan 8.370 nan 0.000 0.489 344 P HA -0.166 nan 4.420 nan 0.000 0.216 344 P C 0.757 177.348 177.300 -1.181 0.000 1.154 344 P CA 1.146 63.866 63.100 -0.633 0.000 0.865 344 P CB 0.347 31.855 31.700 -0.321 0.000 0.789 345 N N -1.414 116.916 118.700 -0.617 0.000 2.062 345 N HA -0.104 4.635 4.740 -0.001 0.000 0.191 345 N C 1.733 177.032 175.510 -0.350 0.000 1.042 345 N CA 2.140 54.922 53.050 -0.446 0.000 0.845 345 N CB -1.535 36.837 38.487 -0.192 0.000 1.024 345 N HN 0.256 nan 8.380 nan 0.000 0.424 346 T N -2.940 111.480 114.554 -0.222 0.000 3.055 346 T HA 0.038 4.387 4.350 -0.001 0.000 0.265 346 T C 0.592 175.348 174.700 0.093 0.000 1.111 346 T CA 0.154 62.235 62.100 -0.032 0.000 1.118 346 T CB -0.442 68.411 68.868 -0.025 0.000 0.909 346 T HN 0.167 nan 8.240 nan 0.000 0.501 347 F N -0.287 119.663 119.950 -0.002 0.000 2.935 347 F HA -0.162 4.363 4.527 -0.002 0.000 0.317 347 F C 0.230 176.033 175.800 0.005 0.000 0.699 347 F CA 0.109 58.109 58.000 0.001 0.000 1.127 347 F CB -2.031 36.967 39.000 -0.003 0.000 1.491 347 F HN 0.276 nan 8.300 nan 0.000 0.337 348 L N 1.056 122.355 121.223 0.127 0.000 2.309 348 L HA 0.490 4.829 4.340 -0.001 0.000 0.282 348 L C -1.753 175.146 176.870 0.048 0.000 1.036 348 L CA -2.053 52.836 54.840 0.083 0.000 0.806 348 L CB 0.797 42.889 42.059 0.055 0.000 1.220 348 L HN -0.367 nan 8.230 nan 0.000 0.429 349 P HA -0.167 nan 4.420 nan 0.000 0.266 349 P C -0.556 176.749 177.300 0.008 0.000 1.162 349 P CA 0.469 63.590 63.100 0.035 0.000 0.758 349 P CB 0.403 32.121 31.700 0.030 0.000 0.774 350 S N 3.286 118.991 115.700 0.008 0.000 2.399 350 S HA 0.450 4.920 4.470 -0.001 0.000 0.215 350 S C -2.455 172.137 174.600 -0.013 0.000 1.456 350 S CA -1.598 56.597 58.200 -0.009 0.000 1.199 350 S CB 0.079 63.274 63.200 -0.009 0.000 1.063 350 S HN 0.150 nan 8.310 nan 0.000 0.476 351 P HA 0.764 nan 4.420 nan 0.000 0.277 351 P C 0.367 177.630 177.300 -0.061 0.000 1.271 351 P CA 0.068 63.137 63.100 -0.052 0.000 0.795 351 P CB 0.851 32.497 31.700 -0.090 0.000 1.101 352 G N -1.109 107.641 108.800 -0.085 0.000 2.351 352 G HA2 0.053 4.012 3.960 -0.001 0.000 0.353 352 G HA3 0.053 4.012 3.960 -0.001 0.000 0.353 352 G C -1.590 173.245 174.900 -0.109 0.000 1.358 352 G CA -0.864 44.186 45.100 -0.083 0.000 0.995 352 G HN 0.658 nan 8.290 nan 0.000 0.611 353 K N 0.037 120.384 120.400 -0.088 0.000 2.276 353 K HA 0.517 4.836 4.320 -0.001 0.000 0.283 353 K C 0.238 176.811 176.600 -0.046 0.000 1.044 353 K CA -0.564 55.669 56.287 -0.091 0.000 0.944 353 K CB 0.398 32.864 32.500 -0.056 0.000 1.012 353 K HN 0.362 nan 8.250 nan 0.000 0.472 354 I N 4.638 125.182 120.570 -0.043 0.000 2.379 354 I HA -0.030 4.139 4.170 -0.001 0.000 0.290 354 I C 1.517 177.666 176.117 0.052 0.000 1.063 354 I CA -0.072 61.241 61.300 0.021 0.000 1.351 354 I CB 1.254 39.275 38.000 0.033 0.000 1.410 354 I HN 0.801 nan 8.210 nan 0.000 0.505 355 T N 2.856 117.447 114.554 0.061 0.000 3.051 355 T HA 0.136 4.485 4.350 -0.001 0.000 0.255 355 T C 0.817 175.571 174.700 0.089 0.000 1.085 355 T CA 0.057 62.195 62.100 0.063 0.000 1.109 355 T CB 0.255 69.148 68.868 0.041 0.000 0.921 355 T HN 0.529 nan 8.240 nan 0.000 0.488 356 R N -0.351 120.216 120.500 0.113 0.000 2.584 356 R HA 0.610 4.949 4.340 -0.001 0.000 0.276 356 R C -2.380 174.050 176.300 0.217 0.000 1.046 356 R CA -0.993 55.187 56.100 0.132 0.000 0.906 356 R CB 1.782 32.125 30.300 0.072 0.000 1.215 356 R HN 0.290 nan 8.270 nan 0.000 0.449 357 F N 3.124 123.117 119.950 0.071 0.000 2.561 357 F HA 0.451 4.977 4.527 -0.001 0.000 0.313 357 F C -1.570 174.287 175.800 0.095 0.000 1.126 357 F CA -0.581 57.458 58.000 0.066 0.000 0.918 357 F CB 1.760 40.808 39.000 0.080 0.000 1.199 357 F HN 0.704 nan 8.300 nan 0.000 0.444 358 H N 4.095 122.502 119.070 -1.105 0.000 2.877 358 H HA 0.722 5.277 4.556 -0.002 0.000 0.347 358 H C -1.377 173.196 175.328 -1.259 0.000 1.042 358 H CA -0.316 55.142 56.048 -0.983 0.000 1.276 358 H CB 1.732 31.224 29.762 -0.451 0.000 1.681 358 H HN 0.899 nan 8.280 nan 0.000 0.521 359 A N 5.887 127.802 122.820 -1.507 0.000 2.316 359 A HA 0.518 4.837 4.320 -0.001 0.000 0.284 359 A C -2.381 174.745 177.584 -0.763 0.000 1.115 359 A CA -1.507 49.856 52.037 -1.123 0.000 0.812 359 A CB 0.063 18.622 19.000 -0.734 0.000 1.064 359 A HN 0.621 nan 8.150 nan 0.000 0.489 360 P HA 0.448 nan 4.420 nan 0.000 0.274 360 P C 0.161 177.377 177.300 -0.139 0.000 1.237 360 P CA 0.135 63.091 63.100 -0.240 0.000 0.793 360 P CB 1.388 32.995 31.700 -0.155 0.000 0.977 361 G N -1.300 107.470 108.800 -0.050 0.000 3.176 361 G HA2 0.753 4.712 3.960 -0.001 0.000 0.272 361 G HA3 0.753 4.712 3.960 -0.001 0.000 0.272 361 G C -0.458 174.476 174.900 0.057 0.000 1.349 361 G CA -0.605 44.502 45.100 0.011 0.000 0.953 361 G HN 0.823 nan 8.290 nan 0.000 0.559 362 G N -2.019 106.834 108.800 0.088 0.000 2.462 362 G HA2 0.371 4.330 3.960 -0.001 0.000 0.685 362 G HA3 0.371 4.330 3.960 -0.001 0.000 0.685 362 G C -0.855 174.179 174.900 0.224 0.000 1.295 362 G CA -0.466 44.714 45.100 0.133 0.000 0.941 362 G HN 1.288 nan 8.290 nan 0.000 0.554 363 F N 2.137 122.120 119.950 0.056 0.000 2.543 363 F HA 0.473 5.000 4.527 -0.001 0.000 0.375 363 F C 1.653 177.515 175.800 0.104 0.000 1.075 363 F CA 0.710 58.754 58.000 0.074 0.000 1.225 363 F CB 0.635 39.675 39.000 0.068 0.000 1.099 363 F HN 2.187 nan 8.300 nan 0.000 0.561 364 G N 3.799 112.687 108.800 0.146 0.000 2.184 364 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.264 364 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.264 364 G C -0.363 174.609 174.900 0.119 0.000 0.975 364 G CA 0.175 45.303 45.100 0.046 0.000 0.642 364 G HN 0.745 nan 8.290 nan 0.000 0.536 365 V N 1.113 121.110 119.914 0.138 0.000 2.383 365 V HA 0.658 4.777 4.120 -0.001 0.000 0.275 365 V C 0.597 176.780 176.094 0.149 0.000 1.036 365 V CA -0.427 61.953 62.300 0.134 0.000 0.889 365 V CB 1.519 33.411 31.823 0.115 0.000 0.985 365 V HN 0.447 nan 8.190 nan 0.000 0.459 366 R N 5.182 125.780 120.500 0.163 0.000 2.476 366 R HA 0.322 4.661 4.340 -0.001 0.000 0.305 366 R C -1.481 174.969 176.300 0.250 0.000 0.965 366 R CA -0.584 55.617 56.100 0.168 0.000 0.867 366 R CB 1.428 31.789 30.300 0.102 0.000 1.176 366 R HN 0.846 nan 8.270 nan 0.000 0.447 367 W N 6.462 127.790 121.300 0.047 0.000 2.417 367 W HA 0.334 4.993 4.660 -0.002 0.000 0.315 367 W C -1.239 175.312 176.519 0.054 0.000 1.045 367 W CA -0.598 56.782 57.345 0.058 0.000 1.221 367 W CB 1.702 31.208 29.460 0.076 0.000 1.309 367 W HN 0.513 nan 8.180 nan 0.000 0.453 368 E N 4.828 124.734 120.200 -0.490 0.000 2.173 368 E HA 0.246 4.595 4.350 -0.001 0.000 0.249 368 E C -0.999 175.144 176.600 -0.762 0.000 0.923 368 E CA -0.113 56.008 56.400 -0.465 0.000 0.754 368 E CB 1.673 31.222 29.700 -0.251 0.000 1.177 368 E HN 0.321 nan 8.360 nan 0.000 0.430 369 S N 1.428 116.676 115.700 -0.753 0.000 2.542 369 S HA 0.156 4.625 4.470 -0.001 0.000 0.276 369 S C 0.349 174.791 174.600 -0.264 0.000 1.148 369 S CA -0.670 57.167 58.200 -0.604 0.000 0.886 369 S CB 0.564 63.148 63.200 -1.026 0.000 1.109 369 S HN 0.591 nan 8.310 nan 0.000 0.458 370 H N 3.601 122.518 119.070 -0.255 0.000 2.551 370 H HA 0.252 4.807 4.556 -0.002 0.000 0.266 370 H C 1.029 176.183 175.328 -0.290 0.000 0.977 370 H CA 0.244 56.166 56.048 -0.211 0.000 1.163 370 H CB -0.712 28.918 29.762 -0.221 0.000 1.381 370 H HN 0.670 nan 8.280 nan 0.000 0.581 371 I N -0.300 119.833 120.570 -0.728 0.000 2.779 371 I HA 0.368 4.537 4.170 -0.001 0.000 0.285 371 I C -0.645 175.157 176.117 -0.524 0.000 1.134 371 I CA -0.966 59.874 61.300 -0.766 0.000 1.398 371 I CB 0.712 38.330 38.000 -0.636 0.000 1.404 371 I HN 0.044 nan 8.210 nan 0.000 0.587 372 Y N 2.669 122.730 120.300 -0.398 0.000 2.638 372 Y HA 0.753 5.302 4.550 -0.002 0.000 0.335 372 Y C -0.578 175.337 175.900 0.025 0.000 1.155 372 Y CA -1.530 56.461 58.100 -0.183 0.000 1.046 372 Y CB 0.503 38.943 38.460 -0.034 0.000 1.303 372 Y HN 0.821 nan 8.280 nan 0.000 0.460 373 A N 1.130 124.168 122.820 0.363 0.000 2.492 373 A HA 0.468 4.787 4.320 -0.001 0.000 0.254 373 A C 1.370 179.122 177.584 0.281 0.000 1.091 373 A CA 0.851 53.062 52.037 0.289 0.000 0.768 373 A CB -1.188 17.984 19.000 0.288 0.000 1.028 373 A HN 2.254 nan 8.150 nan 0.000 0.498 374 G N 0.699 109.590 108.800 0.152 0.000 2.195 374 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.246 374 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.246 374 G C 0.169 175.095 174.900 0.043 0.000 0.984 374 G CA 0.441 45.620 45.100 0.131 0.000 0.633 374 G HN 1.635 nan 8.290 nan 0.000 0.525 375 Y N 2.904 122.998 120.300 -0.343 0.000 2.442 375 Y HA 0.533 5.082 4.550 -0.002 0.000 0.330 375 Y C 0.481 176.228 175.900 -0.255 0.000 1.129 375 Y CA 0.596 58.342 58.100 -0.590 0.000 1.365 375 Y CB 0.865 38.579 38.460 -1.244 0.000 1.233 375 Y HN 0.073 nan 8.280 nan 0.000 0.529 376 T N 6.941 120.989 114.554 -0.843 0.000 2.744 376 T HA 0.307 4.656 4.350 -0.001 0.000 0.291 376 T C -0.590 173.487 174.700 -1.039 0.000 0.957 376 T CA -0.597 61.094 62.100 -0.681 0.000 1.002 376 T CB 0.409 69.078 68.868 -0.331 0.000 0.919 376 T HN 0.477 nan 8.240 nan 0.000 0.468 377 V N 7.947 127.508 119.914 -0.589 0.000 2.439 377 V HA 0.189 4.308 4.120 -0.001 0.000 0.271 377 V C -1.811 174.211 176.094 -0.120 0.000 1.040 377 V CA -1.509 60.644 62.300 -0.244 0.000 1.002 377 V CB 0.106 31.918 31.823 -0.018 0.000 1.000 377 V HN 0.704 nan 8.190 nan 0.000 0.477 378 P HA 0.281 nan 4.420 nan 0.000 0.276 378 P C -2.144 175.101 177.300 -0.092 0.000 1.252 378 P CA -1.833 61.278 63.100 0.018 0.000 0.802 378 P CB 0.175 32.042 31.700 0.279 0.000 1.035 379 P HA 0.035 nan 4.420 nan 0.000 0.249 379 P C 0.363 177.388 177.300 -0.458 0.000 1.229 379 P CA 0.892 63.742 63.100 -0.417 0.000 0.788 379 P CB -0.073 31.323 31.700 -0.506 0.000 1.072 380 Y N -1.809 118.326 120.300 -0.275 0.000 2.503 380 Y HA 0.128 4.677 4.550 -0.002 0.000 0.278 380 Y C 1.270 176.878 175.900 -0.486 0.000 1.111 380 Y CA 0.215 58.002 58.100 -0.522 0.000 1.270 380 Y CB -0.173 37.692 38.460 -0.991 0.000 1.063 380 Y HN -0.109 nan 8.280 nan 0.000 0.548 381 Y N -0.825 119.627 120.300 0.252 0.000 2.833 381 Y HA 0.294 4.843 4.550 -0.002 0.000 0.323 381 Y C 0.008 175.988 175.900 0.134 0.000 1.220 381 Y CA -1.898 56.331 58.100 0.216 0.000 1.174 381 Y CB 0.086 38.696 38.460 0.251 0.000 1.404 381 Y HN -0.336 nan 8.280 nan 0.000 0.607 382 D N -0.162 120.419 120.400 0.300 0.000 2.400 382 D HA 0.012 4.651 4.640 -0.001 0.000 0.238 382 D C 1.038 177.439 176.300 0.168 0.000 1.157 382 D CA 0.693 54.795 54.000 0.169 0.000 0.889 382 D CB 1.002 41.873 40.800 0.118 0.000 1.199 382 D HN 0.524 nan 8.370 nan 0.000 0.436 383 S N 2.960 118.735 115.700 0.125 0.000 2.481 383 S HA -0.127 4.342 4.470 -0.001 0.000 0.231 383 S C 1.187 175.864 174.600 0.128 0.000 0.996 383 S CA 0.070 58.342 58.200 0.120 0.000 0.942 383 S CB -0.235 63.026 63.200 0.102 0.000 0.768 383 S HN 0.601 nan 8.310 nan 0.000 0.520 384 M N 2.705 122.379 119.600 0.124 0.000 2.251 384 M HA 0.266 4.745 4.480 -0.001 0.000 0.346 384 M C 0.555 176.950 176.300 0.158 0.000 1.499 384 M CA -0.044 55.326 55.300 0.117 0.000 1.128 384 M CB 0.434 33.089 32.600 0.090 0.000 1.809 384 M HN 0.514 nan 8.290 nan 0.000 0.464 385 I N 1.372 122.023 120.570 0.135 0.000 4.139 385 I HA 0.577 4.746 4.170 -0.001 0.000 0.335 385 I C 0.498 176.593 176.117 -0.036 0.000 1.327 385 I CA -0.270 61.104 61.300 0.124 0.000 1.112 385 I CB 0.352 38.390 38.000 0.063 0.000 1.058 385 I HN 0.642 nan 8.210 nan 0.000 0.396 386 G N 1.152 109.920 108.800 -0.054 0.000 2.466 386 G HA2 0.479 4.439 3.960 -0.001 0.000 0.291 386 G HA3 0.479 4.439 3.960 -0.001 0.000 0.291 386 G C -1.969 172.796 174.900 -0.224 0.000 1.460 386 G CA -0.906 44.006 45.100 -0.314 0.000 0.791 386 G HN 0.070 nan 8.290 nan 0.000 0.505 387 K N -0.007 120.163 120.400 -0.385 0.000 2.507 387 K HA 0.510 4.829 4.320 -0.001 0.000 0.251 387 K C -1.541 175.033 176.600 -0.043 0.000 0.943 387 K CA -0.816 55.389 56.287 -0.138 0.000 0.794 387 K CB 2.824 35.254 32.500 -0.117 0.000 1.188 387 K HN 0.322 nan 8.250 nan 0.000 0.428 388 L N 4.644 125.986 121.223 0.198 0.000 2.272 388 L HA 0.514 4.853 4.340 -0.001 0.000 0.289 388 L C -1.360 175.615 176.870 0.176 0.000 1.032 388 L CA -0.447 54.592 54.840 0.332 0.000 0.810 388 L CB 0.729 43.022 42.059 0.390 0.000 1.205 388 L HN 0.528 nan 8.230 nan 0.000 0.422 389 I N 4.943 125.608 120.570 0.158 0.000 2.418 389 I HA 0.407 4.576 4.170 -0.001 0.000 0.287 389 I C -0.821 175.375 176.117 0.131 0.000 1.008 389 I CA -0.080 61.287 61.300 0.112 0.000 1.104 389 I CB 1.678 39.715 38.000 0.062 0.000 1.264 389 I HN 0.485 nan 8.210 nan 0.000 0.438 390 C N 5.333 124.710 119.300 0.129 0.000 2.408 390 C HA 0.516 4.975 4.460 -0.001 0.000 0.321 390 C C -0.538 174.535 174.990 0.139 0.000 1.245 390 C CA -0.824 58.268 59.018 0.124 0.000 1.523 390 C CB 0.784 28.583 27.740 0.098 0.000 2.178 390 C HN 0.684 nan 8.230 nan 0.000 0.488 391 Y N 1.901 122.197 120.300 -0.006 0.000 2.409 391 Y HA 0.754 5.306 4.550 0.003 0.000 0.339 391 Y C 0.206 176.053 175.900 -0.088 0.000 1.033 391 Y CA 0.124 58.205 58.100 -0.031 0.000 1.094 391 Y CB 1.398 39.825 38.460 -0.054 0.000 1.210 391 Y HN 0.812 nan 8.280 nan 0.000 0.456 392 G N 3.530 111.769 108.800 -0.936 0.000 2.694 392 G HA2 0.222 4.181 3.960 -0.001 0.000 0.290 392 G HA3 0.222 4.181 3.960 -0.001 0.000 0.290 392 G C -0.376 173.981 174.900 -0.905 0.000 1.386 392 G CA -0.624 44.026 45.100 -0.749 0.000 0.872 392 G HN 0.651 nan 8.290 nan 0.000 0.475 393 E N -0.580 119.346 120.200 -0.457 0.000 2.265 393 E HA -0.098 4.251 4.350 -0.001 0.000 0.196 393 E C 0.435 176.926 176.600 -0.181 0.000 0.996 393 E CA 1.227 57.480 56.400 -0.244 0.000 0.832 393 E CB -0.237 29.404 29.700 -0.098 0.000 0.756 393 E HN 0.524 nan 8.360 nan 0.000 0.491 394 N N -0.963 117.618 118.700 -0.198 0.000 2.972 394 N HA 0.167 4.906 4.740 -0.001 0.000 0.262 394 N C 0.224 175.602 175.510 -0.219 0.000 1.478 394 N CA -0.806 52.150 53.050 -0.157 0.000 0.841 394 N CB 0.990 39.398 38.487 -0.132 0.000 1.512 394 N HN -0.160 nan 8.380 nan 0.000 0.548 395 R N -0.671 119.609 120.500 -0.368 0.000 2.096 395 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 395 R C 0.146 176.246 176.300 -0.332 0.000 1.127 395 R CA 1.742 57.461 56.100 -0.635 0.000 0.968 395 R CB -0.378 29.347 30.300 -0.957 0.000 0.861 395 R HN 0.605 nan 8.270 nan 0.000 0.440 396 D N -0.186 120.067 120.400 -0.244 0.000 2.117 396 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 396 D C 1.902 178.136 176.300 -0.111 0.000 0.987 396 D CA 1.251 55.157 54.000 -0.157 0.000 0.829 396 D CB -0.138 40.588 40.800 -0.124 0.000 0.961 396 D HN 0.096 nan 8.370 nan 0.000 0.460 397 V N 1.331 121.171 119.914 -0.123 0.000 2.358 397 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 397 V C 2.526 178.563 176.094 -0.095 0.000 1.047 397 V CA 1.659 63.896 62.300 -0.105 0.000 1.035 397 V CB -0.794 30.949 31.823 -0.134 0.000 0.658 397 V HN 0.173 nan 8.190 nan 0.000 0.452 398 A N 0.080 122.831 122.820 -0.115 0.000 1.908 398 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 398 A C 2.176 179.775 177.584 0.024 0.000 1.181 398 A CA 2.136 54.146 52.037 -0.046 0.000 0.627 398 A CB -0.569 18.440 19.000 0.015 0.000 0.818 398 A HN 0.522 nan 8.150 nan 0.000 0.445 399 I N -0.510 120.071 120.570 0.019 0.000 2.315 399 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 399 I C 2.940 179.097 176.117 0.066 0.000 1.117 399 I CA 0.871 62.224 61.300 0.088 0.000 1.404 399 I CB -0.316 37.734 38.000 0.083 0.000 1.071 399 I HN 0.356 nan 8.210 nan 0.000 0.419 400 A N 0.958 123.791 122.820 0.022 0.000 1.877 400 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 400 A C 2.395 179.995 177.584 0.027 0.000 1.186 400 A CA 1.494 53.543 52.037 0.020 0.000 0.620 400 A CB -0.553 18.447 19.000 0.000 0.000 0.822 400 A HN 0.294 nan 8.150 nan 0.000 0.443 401 R N -1.861 118.651 120.500 0.021 0.000 2.120 401 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 401 R C 2.164 178.494 176.300 0.049 0.000 1.123 401 R CA 1.607 57.725 56.100 0.031 0.000 0.975 401 R CB -0.326 29.985 30.300 0.019 0.000 0.866 401 R HN 0.572 nan 8.270 nan 0.000 0.446 402 M N 1.256 120.894 119.600 0.063 0.000 2.099 402 M HA -0.126 4.353 4.480 -0.001 0.000 0.262 402 M C 1.582 177.918 176.300 0.061 0.000 1.067 402 M CA 1.788 57.134 55.300 0.076 0.000 1.124 402 M CB 0.042 32.703 32.600 0.102 0.000 1.353 402 M HN -0.138 nan 8.290 nan 0.000 0.410 403 K N -0.132 120.303 120.400 0.058 0.000 2.032 403 K HA -0.169 4.150 4.320 -0.001 0.000 0.209 403 K C 1.817 178.436 176.600 0.031 0.000 1.048 403 K CA 2.114 58.428 56.287 0.045 0.000 0.927 403 K CB -0.542 31.986 32.500 0.047 0.000 0.712 403 K HN 0.584 nan 8.250 nan 0.000 0.441 404 N N 0.351 119.069 118.700 0.031 0.000 2.120 404 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 404 N C 1.899 177.418 175.510 0.015 0.000 1.024 404 N CA 0.789 53.853 53.050 0.023 0.000 0.852 404 N CB -0.116 38.387 38.487 0.027 0.000 1.003 404 N HN 0.191 nan 8.380 nan 0.000 0.424 405 A N 1.402 124.235 122.820 0.022 0.000 1.898 405 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 405 A C 2.162 179.737 177.584 -0.016 0.000 1.181 405 A CA 0.916 52.958 52.037 0.007 0.000 0.620 405 A CB -0.690 18.332 19.000 0.036 0.000 0.819 405 A HN 0.152 nan 8.150 nan 0.000 0.442 406 L N -0.604 120.623 121.223 0.008 0.000 2.083 406 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 406 L C 2.769 179.630 176.870 -0.015 0.000 1.083 406 L CA 1.069 55.910 54.840 0.002 0.000 0.752 406 L CB -0.399 41.675 42.059 0.024 0.000 0.899 406 L HN 0.375 nan 8.230 nan 0.000 0.433 407 Q N -0.099 119.695 119.800 -0.009 0.000 2.224 407 Q HA -0.177 4.162 4.340 -0.001 0.000 0.203 407 Q C 1.966 177.949 176.000 -0.030 0.000 0.970 407 Q CA 1.245 57.039 55.803 -0.015 0.000 0.865 407 Q CB -0.042 28.692 28.738 -0.007 0.000 0.922 407 Q HN 0.607 nan 8.270 nan 0.000 0.445 408 E N 0.098 120.277 120.200 -0.035 0.000 2.230 408 E HA -0.054 4.295 4.350 -0.001 0.000 0.192 408 E C 0.209 176.767 176.600 -0.070 0.000 0.987 408 E CA -0.262 56.118 56.400 -0.034 0.000 0.841 408 E CB 0.144 29.833 29.700 -0.018 0.000 0.783 408 E HN 0.036 nan 8.360 nan 0.000 0.481 409 L N 2.203 123.347 121.223 -0.132 0.000 2.500 409 L HA 0.103 4.442 4.340 -0.001 0.000 0.272 409 L C -0.604 176.181 176.870 -0.143 0.000 1.149 409 L CA 0.725 55.428 54.840 -0.228 0.000 0.897 409 L CB 0.098 42.026 42.059 -0.218 0.000 1.178 409 L HN -0.062 nan 8.230 nan 0.000 0.473 410 I N 7.054 127.517 120.570 -0.179 0.000 2.389 410 I HA 0.367 4.536 4.170 -0.001 0.000 0.288 410 I C -0.504 175.624 176.117 0.018 0.000 0.999 410 I CA -0.356 60.899 61.300 -0.076 0.000 1.129 410 I CB 1.281 39.239 38.000 -0.070 0.000 1.288 410 I HN 0.493 nan 8.210 nan 0.000 0.444 411 I N 5.374 126.004 120.570 0.100 0.000 2.542 411 I HA 0.272 4.442 4.170 -0.001 0.000 0.278 411 I C -1.197 174.988 176.117 0.114 0.000 1.069 411 I CA -0.496 60.923 61.300 0.198 0.000 1.100 411 I CB 1.201 39.333 38.000 0.220 0.000 1.204 411 I HN 0.421 nan 8.210 nan 0.000 0.470 412 D N 3.543 124.006 120.400 0.104 0.000 2.217 412 D HA 0.641 5.280 4.640 -0.001 0.000 0.248 412 D C 1.029 177.363 176.300 0.056 0.000 1.008 412 D CA 0.353 54.390 54.000 0.062 0.000 0.914 412 D CB 2.173 43.002 40.800 0.048 0.000 1.182 412 D HN 0.744 nan 8.370 nan 0.000 0.451 413 G N 0.217 109.036 108.800 0.032 0.000 2.259 413 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 413 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 413 G C 0.278 175.182 174.900 0.007 0.000 1.001 413 G CA 0.321 45.432 45.100 0.018 0.000 0.627 413 G HN 0.619 nan 8.290 nan 0.000 0.501 414 I N -2.452 118.128 120.570 0.016 0.000 3.074 414 I HA 0.796 4.965 4.170 -0.001 0.000 0.310 414 I C -0.353 175.773 176.117 0.015 0.000 1.153 414 I CA -1.633 59.672 61.300 0.009 0.000 0.993 414 I CB 1.680 39.687 38.000 0.012 0.000 1.237 414 I HN -0.090 nan 8.210 nan 0.000 0.443 415 K N 1.993 122.396 120.400 0.004 0.000 2.218 415 K HA 0.537 4.856 4.320 -0.001 0.000 0.276 415 K C -0.233 176.376 176.600 0.014 0.000 1.022 415 K CA -0.376 55.910 56.287 -0.002 0.000 0.946 415 K CB 1.406 33.891 32.500 -0.024 0.000 1.000 415 K HN 0.873 nan 8.250 nan 0.000 0.468 416 T N -1.756 112.810 114.554 0.018 0.000 2.838 416 T HA 0.204 4.553 4.350 -0.001 0.000 0.292 416 T C 0.281 174.996 174.700 0.024 0.000 1.113 416 T CA -1.040 61.085 62.100 0.041 0.000 1.008 416 T CB 1.003 69.917 68.868 0.076 0.000 1.259 416 T HN 0.595 nan 8.240 nan 0.000 0.520 417 N N 0.561 119.292 118.700 0.050 0.000 2.322 417 N HA 0.063 4.802 4.740 -0.001 0.000 0.216 417 N C 1.233 176.775 175.510 0.053 0.000 1.144 417 N CA -0.236 52.843 53.050 0.049 0.000 0.830 417 N CB -0.467 38.076 38.487 0.094 0.000 1.034 417 N HN 0.377 nan 8.380 nan 0.000 0.484 418 V N 0.775 120.720 119.914 0.053 0.000 2.343 418 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 418 V C 1.658 177.770 176.094 0.029 0.000 1.051 418 V CA 1.964 64.294 62.300 0.050 0.000 1.036 418 V CB -0.383 31.469 31.823 0.048 0.000 0.654 418 V HN 0.268 nan 8.190 nan 0.000 0.451 419 D N -0.207 120.203 120.400 0.016 0.000 2.144 419 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 419 D C 1.950 178.256 176.300 0.011 0.000 0.984 419 D CA 1.058 55.062 54.000 0.008 0.000 0.834 419 D CB -0.255 40.542 40.800 -0.004 0.000 0.955 419 D HN 0.367 nan 8.370 nan 0.000 0.465 420 L N 1.011 122.244 121.223 0.017 0.000 2.046 420 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 420 L C 1.982 178.862 176.870 0.018 0.000 1.077 420 L CA 1.664 56.522 54.840 0.030 0.000 0.747 420 L CB -0.532 41.567 42.059 0.066 0.000 0.896 420 L HN -0.116 nan 8.230 nan 0.000 0.432 421 Q N -0.202 119.608 119.800 0.017 0.000 2.124 421 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 421 Q C 2.386 178.374 176.000 -0.019 0.000 0.977 421 Q CA 2.026 57.825 55.803 -0.008 0.000 0.850 421 Q CB -0.327 28.422 28.738 0.019 0.000 0.901 421 Q HN 0.622 nan 8.270 nan 0.000 0.429 422 I N 0.446 121.018 120.570 0.004 0.000 2.208 422 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 422 I C 2.517 178.640 176.117 0.010 0.000 1.097 422 I CA 1.172 62.478 61.300 0.010 0.000 1.363 422 I CB -0.230 37.778 38.000 0.014 0.000 1.051 422 I HN 0.157 nan 8.210 nan 0.000 0.413 423 R N 0.596 121.102 120.500 0.010 0.000 2.081 423 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 423 R C 2.315 178.625 176.300 0.017 0.000 1.131 423 R CA 1.423 57.536 56.100 0.021 0.000 0.960 423 R CB -0.403 29.912 30.300 0.025 0.000 0.856 423 R HN 0.381 nan 8.270 nan 0.000 0.436 424 I N 0.478 121.026 120.570 -0.036 0.000 2.252 424 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 424 I C 2.336 178.334 176.117 -0.198 0.000 1.102 424 I CA 0.988 62.212 61.300 -0.127 0.000 1.385 424 I CB -0.214 37.637 38.000 -0.248 0.000 1.064 424 I HN 0.111 nan 8.210 nan 0.000 0.414 425 M N 0.275 119.791 119.600 -0.141 0.000 2.159 425 M HA -0.170 4.309 4.480 -0.001 0.000 0.263 425 M C 1.669 178.072 176.300 0.172 0.000 1.063 425 M CA 1.604 56.925 55.300 0.034 0.000 1.110 425 M CB -1.384 31.249 32.600 0.055 0.000 1.374 425 M HN 0.263 nan 8.290 nan 0.000 0.411 426 N N 0.668 119.430 118.700 0.103 0.000 2.461 426 N HA -0.046 4.694 4.740 -0.001 0.000 0.188 426 N C 0.184 175.773 175.510 0.131 0.000 1.134 426 N CA 0.196 53.311 53.050 0.107 0.000 0.878 426 N CB -0.074 38.454 38.487 0.069 0.000 0.972 426 N HN 0.402 nan 8.380 nan 0.000 0.456 427 D N 1.420 121.924 120.400 0.172 0.000 2.383 427 D HA -0.019 4.620 4.640 -0.001 0.000 0.252 427 D C 0.730 177.151 176.300 0.202 0.000 1.166 427 D CA 0.166 54.288 54.000 0.203 0.000 0.879 427 D CB 1.221 42.180 40.800 0.266 0.000 1.164 427 D HN 0.143 nan 8.370 nan 0.000 0.462 428 E N 2.881 123.167 120.200 0.144 0.000 2.110 428 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 428 E C 1.254 177.898 176.600 0.073 0.000 0.988 428 E CA 0.748 57.206 56.400 0.097 0.000 0.804 428 E CB 0.209 29.951 29.700 0.071 0.000 0.745 428 E HN 0.510 nan 8.360 nan 0.000 0.458 429 N N 0.476 119.205 118.700 0.048 0.000 2.216 429 N HA -0.126 4.613 4.740 -0.001 0.000 0.183 429 N C 1.661 177.130 175.510 -0.068 0.000 1.017 429 N CA 0.646 53.647 53.050 -0.083 0.000 0.861 429 N CB -0.417 37.888 38.487 -0.304 0.000 0.986 429 N HN 0.147 nan 8.380 nan 0.000 0.428 430 F N 2.253 122.124 119.950 -0.132 0.000 2.134 430 F HA -0.156 4.372 4.527 0.002 0.000 0.299 430 F C 2.368 178.156 175.800 -0.020 0.000 1.097 430 F CA 1.358 59.320 58.000 -0.064 0.000 1.264 430 F CB -0.002 39.001 39.000 0.004 0.000 1.001 430 F HN 0.006 nan 8.300 nan 0.000 0.479 431 Q N -0.905 118.869 119.800 -0.044 0.000 2.124 431 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 431 Q C 2.251 178.151 176.000 -0.167 0.000 0.977 431 Q CA 1.558 57.280 55.803 -0.135 0.000 0.850 431 Q CB -0.579 28.169 28.738 0.016 0.000 0.901 431 Q HN 0.592 nan 8.270 nan 0.000 0.429 432 H N -0.113 118.857 119.070 -0.166 0.000 2.326 432 H HA -0.020 4.530 4.556 -0.010 0.000 0.301 432 H C 0.652 175.863 175.328 -0.195 0.000 1.081 432 H CA 1.657 57.615 56.048 -0.149 0.000 1.334 432 H CB 0.180 29.881 29.762 -0.103 0.000 1.385 432 H HN 0.276 nan 8.280 nan 0.000 0.504 433 G N -2.086 106.620 108.800 -0.157 0.000 2.619 433 G HA2 0.120 4.079 3.960 -0.001 0.000 0.686 433 G HA3 0.120 4.079 3.960 -0.001 0.000 0.686 433 G C 0.604 175.487 174.900 -0.028 0.000 1.256 433 G CA 0.226 45.198 45.100 -0.212 0.000 0.826 433 G HN 1.057 nan 8.290 nan 0.000 0.619 434 G N -1.374 107.413 108.800 -0.021 0.000 2.136 434 G HA2 0.169 4.128 3.960 -0.001 0.000 0.242 434 G HA3 0.169 4.128 3.960 -0.001 0.000 0.242 434 G C 0.991 175.922 174.900 0.052 0.000 0.989 434 G CA 1.426 46.554 45.100 0.047 0.000 0.682 434 G HN 2.793 nan 8.290 nan 0.000 0.522 435 T N -0.472 114.087 114.554 0.008 0.000 2.900 435 T HA 0.460 4.809 4.350 -0.001 0.000 0.307 435 T C 0.784 175.531 174.700 0.078 0.000 1.065 435 T CA 0.252 62.337 62.100 -0.026 0.000 1.105 435 T CB 1.382 70.118 68.868 -0.219 0.000 0.979 435 T HN 0.978 nan 8.240 nan 0.000 0.544 436 N N 1.421 120.189 118.700 0.113 0.000 2.405 436 N HA 0.192 4.931 4.740 -0.001 0.000 0.269 436 N C 1.214 176.771 175.510 0.079 0.000 1.249 436 N CA -1.014 52.098 53.050 0.103 0.000 0.974 436 N CB 0.031 38.582 38.487 0.107 0.000 1.204 436 N HN 0.827 nan 8.380 nan 0.000 0.565 437 I N -3.850 116.684 120.570 -0.061 0.000 3.083 437 I HA -0.024 4.146 4.170 -0.001 0.000 0.273 437 I C 0.456 176.457 176.117 -0.193 0.000 1.297 437 I CA 0.937 62.160 61.300 -0.128 0.000 1.452 437 I CB -0.463 37.435 38.000 -0.170 0.000 1.078 437 I HN 0.393 nan 8.210 nan 0.000 0.484 438 H N -0.895 118.247 119.070 0.120 0.000 2.575 438 H HA 0.060 4.614 4.556 -0.002 0.000 0.267 438 H C 1.479 176.857 175.328 0.083 0.000 0.966 438 H CA 0.325 56.422 56.048 0.082 0.000 1.165 438 H CB -0.123 29.685 29.762 0.076 0.000 1.433 438 H HN 0.438 nan 8.280 nan 0.000 0.544 439 Y N 1.733 122.099 120.300 0.110 0.000 2.114 439 Y HA -0.212 4.339 4.550 0.001 0.000 0.284 439 Y C 2.378 178.315 175.900 0.062 0.000 1.143 439 Y CA 1.035 59.190 58.100 0.092 0.000 1.135 439 Y CB -0.375 38.141 38.460 0.093 0.000 0.980 439 Y HN 0.085 nan 8.280 nan 0.000 0.499 440 L N 0.854 122.099 121.223 0.036 0.000 2.042 440 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 440 L C 2.084 178.871 176.870 -0.138 0.000 1.076 440 L CA 2.117 56.918 54.840 -0.064 0.000 0.749 440 L CB -0.859 41.205 42.059 0.009 0.000 0.893 440 L HN 0.336 nan 8.230 nan 0.000 0.432 441 E N -0.777 119.364 120.200 -0.098 0.000 2.072 441 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 441 E C 2.146 178.683 176.600 -0.104 0.000 0.985 441 E CA 1.296 57.638 56.400 -0.096 0.000 0.801 441 E CB -0.069 29.588 29.700 -0.072 0.000 0.750 441 E HN 0.488 nan 8.360 nan 0.000 0.452 442 K N 0.997 121.321 120.400 -0.126 0.000 2.026 442 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 442 K C 2.202 178.676 176.600 -0.210 0.000 1.048 442 K CA 1.154 57.354 56.287 -0.145 0.000 0.929 442 K CB -0.097 32.326 32.500 -0.128 0.000 0.713 442 K HN -0.052 nan 8.250 nan 0.000 0.439 443 K N 1.274 121.444 120.400 -0.385 0.000 2.032 443 K HA -0.165 4.154 4.320 -0.001 0.000 0.209 443 K C 1.996 178.512 176.600 -0.140 0.000 1.048 443 K CA 1.358 57.445 56.287 -0.333 0.000 0.927 443 K CB -0.048 32.170 32.500 -0.469 0.000 0.712 443 K HN 0.099 nan 8.250 nan 0.000 0.441 444 L N -0.993 120.169 121.223 -0.102 0.000 2.179 444 L HA 0.049 4.388 4.340 -0.001 0.000 0.208 444 L C 1.198 178.062 176.870 -0.010 0.000 1.096 444 L CA 0.821 55.649 54.840 -0.020 0.000 0.779 444 L CB -0.035 42.042 42.059 0.030 0.000 0.922 444 L HN 0.631 nan 8.230 nan 0.000 0.443 445 G N 0.267 109.047 108.800 -0.033 0.000 2.226 445 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.176 445 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.176 445 G C -0.284 174.609 174.900 -0.012 0.000 1.042 445 G CA -0.367 44.721 45.100 -0.020 0.000 0.732 445 G HN 0.135 nan 8.290 nan 0.000 0.494 446 L N 0.000 121.206 121.223 -0.028 0.000 2.949 446 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 446 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 446 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502