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 1utc_1_A DATA FIRST_RESID 4 DATA SEQUENCE ILPIRFQEHL QLQNLGINPA NIGFSTLTME SDKFICIREK VGEQAQVVII DATA SEQUENCE DMNDPSNPIR RPISADSAIM NPASKVIALK AGKTLQIFNI EMKSKMKAHT DATA SEQUENCE MTDDVTFWKW ISLNTVALVT DNAVYHWSME GESQPVKMFD RHSSLAGCQI DATA SEQUENCE INYRTDAKQK WLLLTGISAQ QNRVVGAMQL YSVDRKVSQP IEGHAASFAQ DATA SEQUENCE FKMEGNAEES TLFCFAVRGQ AGGKLHIIEV GTPPTGNQPF PKKAVDVFFP DATA SEQUENCE PEAQNDFPVA MQISEKHDVV FLITKYGYIH LYDLETGTCI YMNRISGETI DATA SEQUENCE FVTAPHEATA GIIGVNRKGQ VLSVCVEEEN IIPYITNVLQ NPDLALRMAV DATA SEQUENCE RN 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.157 176.117 0.067 0.000 1.063 4 I CA 0.000 61.334 61.300 0.056 0.000 1.566 4 I CB 0.000 38.049 38.000 0.081 0.000 1.214 5 L N 6.076 127.222 121.223 -0.129 0.000 2.319 5 L HA 0.684 5.024 4.340 -0.000 0.000 0.267 5 L C -1.602 174.926 176.870 -0.571 0.000 1.011 5 L CA -1.683 52.882 54.840 -0.459 0.000 0.818 5 L CB 2.324 44.136 42.059 -0.410 0.000 1.316 5 L HN 0.408 nan 8.230 nan 0.000 0.432 6 P HA -0.009 nan 4.420 nan 0.000 0.229 6 P C -0.145 176.922 177.300 -0.387 0.000 1.160 6 P CA 1.044 63.795 63.100 -0.581 0.000 0.777 6 P CB 0.075 31.396 31.700 -0.631 0.000 0.814 7 I N -4.554 115.755 120.570 -0.434 0.000 2.892 7 I HA 0.608 4.778 4.170 -0.000 0.000 0.306 7 I C -0.390 175.640 176.117 -0.146 0.000 1.078 7 I CA -1.702 59.464 61.300 -0.223 0.000 1.032 7 I CB 2.669 40.572 38.000 -0.160 0.000 1.229 7 I HN -0.416 nan 8.210 nan 0.000 0.435 8 R N 2.950 123.422 120.500 -0.046 0.000 2.437 8 R HA 0.474 4.814 4.340 -0.000 0.000 0.310 8 R C -1.890 174.450 176.300 0.067 0.000 0.955 8 R CA -0.631 55.467 56.100 -0.002 0.000 0.851 8 R CB 1.823 32.110 30.300 -0.022 0.000 1.161 8 R HN 0.741 nan 8.270 nan 0.000 0.446 9 F N 2.944 122.858 119.950 -0.061 0.000 2.425 9 F HA 0.398 4.925 4.527 -0.000 0.000 0.331 9 F C -0.653 175.097 175.800 -0.083 0.000 1.085 9 F CA -0.196 57.773 58.000 -0.053 0.000 1.028 9 F CB 1.364 40.343 39.000 -0.035 0.000 1.177 9 F HN 0.443 nan 8.300 nan 0.000 0.487 10 Q N 4.404 123.556 119.800 -1.081 0.000 2.403 10 Q HA 0.164 4.504 4.340 -0.000 0.000 0.267 10 Q C -1.888 173.522 176.000 -0.983 0.000 0.991 10 Q CA -0.763 54.501 55.803 -0.899 0.000 0.906 10 Q CB 1.814 30.186 28.738 -0.610 0.000 1.422 10 Q HN 0.854 nan 8.270 nan 0.000 0.400 11 E N 3.340 123.130 120.200 -0.684 0.000 2.105 11 E HA 0.116 4.466 4.350 -0.000 0.000 0.285 11 E C 0.015 176.408 176.600 -0.345 0.000 1.055 11 E CA -0.081 56.081 56.400 -0.397 0.000 0.843 11 E CB 0.571 30.157 29.700 -0.190 0.000 1.067 11 E HN 0.630 nan 8.360 nan 0.000 0.398 12 H N 4.233 123.201 119.070 -0.169 0.000 2.482 12 H HA 0.205 4.761 4.556 0.000 0.000 0.286 12 H C 0.197 175.475 175.328 -0.083 0.000 1.017 12 H CA 0.715 56.690 56.048 -0.121 0.000 1.322 12 H CB 0.543 30.224 29.762 -0.135 0.000 1.426 12 H HN 0.394 nan 8.280 nan 0.000 0.546 13 L N 0.538 121.787 121.223 0.042 0.000 2.724 13 L HA 0.165 4.505 4.340 -0.000 0.000 0.258 13 L C -1.203 175.676 176.870 0.015 0.000 0.967 13 L CA -0.858 53.996 54.840 0.023 0.000 0.891 13 L CB 2.672 44.744 42.059 0.023 0.000 1.456 13 L HN -0.081 nan 8.230 nan 0.000 0.416 14 Q N 1.550 121.360 119.800 0.017 0.000 2.327 14 Q HA 0.466 4.806 4.340 -0.000 0.000 0.270 14 Q C -0.212 175.805 176.000 0.029 0.000 1.022 14 Q CA -0.331 55.487 55.803 0.025 0.000 0.773 14 Q CB 1.844 30.596 28.738 0.022 0.000 1.251 14 Q HN 0.665 nan 8.270 nan 0.000 0.457 15 L N 2.530 123.776 121.223 0.039 0.000 2.191 15 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 15 L C 1.750 178.644 176.870 0.040 0.000 1.103 15 L CA 1.207 56.073 54.840 0.043 0.000 0.769 15 L CB -0.122 41.974 42.059 0.061 0.000 0.908 15 L HN 0.755 nan 8.230 nan 0.000 0.438 16 Q N 0.110 119.933 119.800 0.039 0.000 2.124 16 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 16 Q C 1.701 177.717 176.000 0.026 0.000 0.977 16 Q CA 1.633 57.456 55.803 0.034 0.000 0.850 16 Q CB -0.253 28.505 28.738 0.033 0.000 0.901 16 Q HN 0.648 nan 8.270 nan 0.000 0.429 17 N N 0.059 118.773 118.700 0.024 0.000 2.512 17 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 17 N C 0.932 176.454 175.510 0.019 0.000 1.073 17 N CA 0.308 53.369 53.050 0.019 0.000 0.911 17 N CB 0.160 38.657 38.487 0.016 0.000 0.964 17 N HN 0.178 nan 8.380 nan 0.000 0.447 18 L N -0.527 120.710 121.223 0.022 0.000 2.628 18 L HA 0.259 4.599 4.340 -0.000 0.000 0.229 18 L C 1.019 177.903 176.870 0.024 0.000 1.137 18 L CA -0.106 54.747 54.840 0.023 0.000 0.909 18 L CB 0.051 42.125 42.059 0.025 0.000 1.137 18 L HN 0.187 nan 8.230 nan 0.000 0.470 19 G N 1.016 109.831 108.800 0.023 0.000 2.131 19 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.223 19 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.223 19 G C -0.037 174.878 174.900 0.025 0.000 0.990 19 G CA -0.413 44.700 45.100 0.022 0.000 0.671 19 G HN 0.251 nan 8.290 nan 0.000 0.521 20 I N 1.027 121.615 120.570 0.031 0.000 2.353 20 I HA 0.291 4.461 4.170 -0.000 0.000 0.293 20 I C 0.518 176.655 176.117 0.034 0.000 0.992 20 I CA -0.974 60.347 61.300 0.035 0.000 1.268 20 I CB 1.299 39.327 38.000 0.045 0.000 1.387 20 I HN 0.186 nan 8.210 nan 0.000 0.478 21 N N 8.829 127.547 118.700 0.030 0.000 2.513 21 N HA 0.161 4.901 4.740 -0.000 0.000 0.268 21 N C -1.663 173.866 175.510 0.032 0.000 1.180 21 N CA -1.486 51.581 53.050 0.027 0.000 0.948 21 N CB 0.948 39.448 38.487 0.021 0.000 1.083 21 N HN 0.253 nan 8.380 nan 0.000 0.455 22 P HA -0.166 nan 4.420 nan 0.000 0.219 22 P C 0.662 177.977 177.300 0.025 0.000 1.146 22 P CA 1.152 64.273 63.100 0.035 0.000 0.808 22 P CB -0.093 31.625 31.700 0.031 0.000 0.779 23 A N 0.313 123.144 122.820 0.017 0.000 2.032 23 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 23 A C 1.950 179.537 177.584 0.005 0.000 1.165 23 A CA 1.685 53.727 52.037 0.009 0.000 0.645 23 A CB -1.051 17.954 19.000 0.008 0.000 0.807 23 A HN 0.191 nan 8.150 nan 0.000 0.453 24 N N -0.649 118.061 118.700 0.017 0.000 2.280 24 N HA 0.174 4.914 4.740 -0.000 0.000 0.192 24 N C -0.080 175.449 175.510 0.031 0.000 1.109 24 N CA 0.179 53.240 53.050 0.019 0.000 0.855 24 N CB 0.293 38.796 38.487 0.028 0.000 0.974 24 N HN 0.466 nan 8.380 nan 0.000 0.482 25 I N 1.411 122.005 120.570 0.040 0.000 2.241 25 I HA 0.330 4.500 4.170 -0.000 0.000 0.294 25 I C 0.563 176.635 176.117 -0.075 0.000 1.145 25 I CA -0.387 60.970 61.300 0.094 0.000 1.261 25 I CB 0.252 38.340 38.000 0.147 0.000 1.475 25 I HN -0.095 nan 8.210 nan 0.000 0.533 26 G N 2.542 111.168 108.800 -0.291 0.000 2.576 26 G HA2 0.215 4.175 3.960 -0.000 0.000 0.290 26 G HA3 0.215 4.175 3.960 -0.000 0.000 0.290 26 G C -0.286 174.150 174.900 -0.773 0.000 1.442 26 G CA -0.621 43.978 45.100 -0.836 0.000 0.792 26 G HN 0.274 nan 8.290 nan 0.000 0.491 27 F N 1.299 120.699 119.950 -0.917 0.000 2.154 27 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 27 F C 2.590 178.401 175.800 0.019 0.000 1.087 27 F CA 2.708 60.612 58.000 -0.159 0.000 1.274 27 F CB 0.154 39.171 39.000 0.029 0.000 1.009 27 F HN 0.308 nan 8.300 nan 0.000 0.485 28 S N -1.549 114.153 115.700 0.003 0.000 2.522 28 S HA -0.066 4.403 4.470 -0.000 0.000 0.227 28 S C 1.544 176.117 174.600 -0.045 0.000 0.986 28 S CA 1.042 59.229 58.200 -0.022 0.000 0.929 28 S CB -0.609 62.621 63.200 0.051 0.000 0.769 28 S HN 0.620 nan 8.310 nan 0.000 0.529 29 T N -1.350 113.182 114.554 -0.036 0.000 2.986 29 T HA 0.443 4.793 4.350 -0.000 0.000 0.264 29 T C -0.026 174.699 174.700 0.042 0.000 0.964 29 T CA -0.405 61.696 62.100 0.001 0.000 0.895 29 T CB -0.107 68.764 68.868 0.004 0.000 1.163 29 T HN 0.278 nan 8.240 nan 0.000 0.517 30 L N 2.825 124.100 121.223 0.087 0.000 2.381 30 L HA 0.739 5.079 4.340 -0.000 0.000 0.274 30 L C -0.952 176.039 176.870 0.202 0.000 0.988 30 L CA -0.377 54.571 54.840 0.180 0.000 0.824 30 L CB 2.107 44.353 42.059 0.312 0.000 1.263 30 L HN 0.341 nan 8.230 nan 0.000 0.410 31 T N 2.098 116.729 114.554 0.129 0.000 2.908 31 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 31 T C -0.496 174.259 174.700 0.091 0.000 1.034 31 T CA -0.732 61.429 62.100 0.102 0.000 1.010 31 T CB 1.890 70.790 68.868 0.054 0.000 1.068 31 T HN 0.696 nan 8.240 nan 0.000 0.481 32 M N 2.434 122.084 119.600 0.083 0.000 2.060 32 M HA 0.288 4.768 4.480 -0.000 0.000 0.231 32 M C 0.073 176.419 176.300 0.077 0.000 0.936 32 M CA -0.452 54.885 55.300 0.062 0.000 0.981 32 M CB 1.104 33.712 32.600 0.014 0.000 2.216 32 M HN 0.673 nan 8.290 nan 0.000 0.399 33 E N 0.818 121.071 120.200 0.089 0.000 2.427 33 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 33 E C 0.347 176.994 176.600 0.079 0.000 1.028 33 E CA 0.566 57.031 56.400 0.109 0.000 0.864 33 E CB 0.318 30.097 29.700 0.131 0.000 0.813 33 E HN 0.727 nan 8.360 nan 0.000 0.514 34 S N 0.112 115.842 115.700 0.050 0.000 2.672 34 S HA 0.163 4.633 4.470 -0.000 0.000 0.271 34 S C -0.107 174.479 174.600 -0.023 0.000 1.171 34 S CA -0.436 57.776 58.200 0.019 0.000 0.817 34 S CB 1.289 64.490 63.200 0.002 0.000 1.150 34 S HN -0.096 nan 8.310 nan 0.000 0.478 35 D N 0.128 120.494 120.400 -0.056 0.000 2.363 35 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 35 D C 1.047 177.238 176.300 -0.182 0.000 1.020 35 D CA 0.289 54.214 54.000 -0.126 0.000 0.892 35 D CB -0.006 40.728 40.800 -0.109 0.000 0.900 35 D HN 0.331 nan 8.370 nan 0.000 0.531 36 K N -0.330 119.940 120.400 -0.216 0.000 2.137 36 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 36 K C 0.113 176.276 176.600 -0.729 0.000 1.052 36 K CA 0.473 56.460 56.287 -0.500 0.000 0.961 36 K CB 0.091 32.223 32.500 -0.615 0.000 0.741 36 K HN 0.269 nan 8.250 nan 0.000 0.452 37 F N -0.276 119.628 119.950 -0.077 0.000 2.588 37 F HA 0.458 4.985 4.527 0.000 0.000 0.310 37 F C -0.202 175.568 175.800 -0.051 0.000 1.082 37 F CA -1.078 56.884 58.000 -0.063 0.000 0.929 37 F CB 1.690 40.651 39.000 -0.065 0.000 1.254 37 F HN -0.333 nan 8.300 nan 0.000 0.455 38 I N 2.088 122.760 120.570 0.169 0.000 2.474 38 I HA 0.429 4.599 4.170 -0.000 0.000 0.294 38 I C -1.143 175.035 176.117 0.101 0.000 1.005 38 I CA -0.687 60.675 61.300 0.103 0.000 1.113 38 I CB 1.919 39.954 38.000 0.057 0.000 1.289 38 I HN 0.554 nan 8.210 nan 0.000 0.436 39 C N 7.642 126.989 119.300 0.079 0.000 2.340 39 C HA 0.691 5.151 4.460 -0.000 0.000 0.323 39 C C -0.534 174.495 174.990 0.065 0.000 1.260 39 C CA -0.415 58.636 59.018 0.055 0.000 1.464 39 C CB -0.152 27.607 27.740 0.030 0.000 2.156 39 C HN 0.599 nan 8.230 nan 0.000 0.476 40 I N 6.078 126.681 120.570 0.056 0.000 2.389 40 I HA 0.496 4.666 4.170 -0.000 0.000 0.288 40 I C 0.237 176.378 176.117 0.040 0.000 0.999 40 I CA -0.235 61.100 61.300 0.058 0.000 1.129 40 I CB 0.978 39.015 38.000 0.062 0.000 1.288 40 I HN 0.448 nan 8.210 nan 0.000 0.444 41 R N 6.567 127.089 120.500 0.037 0.000 2.196 41 R HA 0.370 4.710 4.340 -0.000 0.000 0.340 41 R C -0.696 175.615 176.300 0.019 0.000 1.043 41 R CA -0.086 56.029 56.100 0.025 0.000 0.883 41 R CB 0.533 30.848 30.300 0.025 0.000 1.078 41 R HN 0.678 nan 8.270 nan 0.000 0.462 42 E N 2.679 122.888 120.200 0.015 0.000 2.249 42 E HA 0.293 4.643 4.350 -0.000 0.000 0.263 42 E C -0.953 175.650 176.600 0.006 0.000 0.950 42 E CA -0.979 55.428 56.400 0.012 0.000 0.827 42 E CB 2.103 31.812 29.700 0.015 0.000 1.220 42 E HN 0.166 nan 8.360 nan 0.000 0.411 43 K N 1.005 121.407 120.400 0.005 0.000 2.578 43 K HA 0.315 4.635 4.320 -0.000 0.000 0.250 43 K C -1.908 174.693 176.600 0.001 0.000 0.955 43 K CA -0.425 55.862 56.287 0.001 0.000 0.825 43 K CB 1.471 33.971 32.500 -0.001 0.000 1.151 43 K HN 0.214 nan 8.250 nan 0.000 0.432 44 V N 4.950 124.864 119.914 0.000 0.000 2.350 44 V HA 0.614 4.734 4.120 -0.000 0.000 0.285 44 V C 1.004 177.098 176.094 -0.001 0.000 1.014 44 V CA 0.204 62.505 62.300 0.001 0.000 0.831 44 V CB 0.446 32.270 31.823 0.002 0.000 1.000 44 V HN 1.054 nan 8.190 nan 0.000 0.433 45 G N 5.890 114.689 108.800 -0.001 0.000 2.629 45 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.313 45 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.313 45 G C 0.404 175.302 174.900 -0.004 0.000 1.217 45 G CA 0.892 45.991 45.100 -0.002 0.000 0.994 45 G HN 0.869 nan 8.290 nan 0.000 0.549 46 E N 0.386 120.583 120.200 -0.005 0.000 2.501 46 E HA 0.464 4.813 4.350 -0.000 0.000 0.201 46 E C 0.745 177.339 176.600 -0.009 0.000 1.016 46 E CA 0.235 56.630 56.400 -0.007 0.000 0.920 46 E CB 0.684 30.379 29.700 -0.008 0.000 1.023 46 E HN 0.432 nan 8.360 nan 0.000 0.474 47 Q N 1.654 121.449 119.800 -0.008 0.000 2.303 47 Q HA 0.573 4.913 4.340 -0.000 0.000 0.257 47 Q C -0.842 175.152 176.000 -0.010 0.000 0.941 47 Q CA -0.582 55.215 55.803 -0.010 0.000 0.931 47 Q CB 1.150 29.883 28.738 -0.009 0.000 1.215 47 Q HN 0.270 nan 8.270 nan 0.000 0.437 48 A N 4.484 127.296 122.820 -0.013 0.000 2.340 48 A HA 0.582 4.902 4.320 -0.000 0.000 0.268 48 A C -0.699 176.877 177.584 -0.014 0.000 1.100 48 A CA -0.314 51.715 52.037 -0.012 0.000 0.803 48 A CB 0.494 19.485 19.000 -0.016 0.000 1.043 48 A HN 0.788 nan 8.150 nan 0.000 0.488 49 Q N 0.466 120.261 119.800 -0.009 0.000 2.389 49 Q HA 0.557 4.897 4.340 -0.000 0.000 0.277 49 Q C -1.031 174.967 176.000 -0.004 0.000 1.082 49 Q CA -1.006 54.792 55.803 -0.009 0.000 0.810 49 Q CB 2.179 30.915 28.738 -0.003 0.000 1.374 49 Q HN 0.825 nan 8.270 nan 0.000 0.422 50 V N -1.036 118.873 119.914 -0.008 0.000 2.435 50 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 50 V C -0.493 175.603 176.094 0.003 0.000 1.030 50 V CA -0.578 61.722 62.300 -0.000 0.000 0.881 50 V CB 1.521 33.341 31.823 -0.006 0.000 0.983 50 V HN 0.538 nan 8.190 nan 0.000 0.445 51 V N 6.861 126.784 119.914 0.015 0.000 2.350 51 V HA 0.490 4.610 4.120 -0.000 0.000 0.276 51 V C 0.126 176.236 176.094 0.026 0.000 1.028 51 V CA -0.309 62.004 62.300 0.021 0.000 0.860 51 V CB 1.031 32.871 31.823 0.029 0.000 0.990 51 V HN 0.827 nan 8.190 nan 0.000 0.453 52 I N 5.984 126.568 120.570 0.023 0.000 2.321 52 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 52 I C -0.375 175.793 176.117 0.086 0.000 0.998 52 I CA -0.245 61.077 61.300 0.036 0.000 1.227 52 I CB 1.490 39.476 38.000 -0.023 0.000 1.368 52 I HN 0.454 nan 8.210 nan 0.000 0.466 53 I N 5.585 126.230 120.570 0.124 0.000 2.330 53 I HA 0.137 4.307 4.170 -0.000 0.000 0.286 53 I C 0.095 176.319 176.117 0.178 0.000 1.025 53 I CA -0.358 61.013 61.300 0.117 0.000 1.197 53 I CB 0.735 38.777 38.000 0.070 0.000 1.358 53 I HN 0.509 nan 8.210 nan 0.000 0.467 54 D N 7.119 127.620 120.400 0.168 0.000 2.382 54 D HA 0.032 4.671 4.640 -0.000 0.000 0.259 54 D C 0.988 177.240 176.300 -0.082 0.000 1.224 54 D CA -0.070 53.957 54.000 0.046 0.000 0.894 54 D CB 1.009 41.846 40.800 0.063 0.000 1.127 54 D HN 0.363 nan 8.370 nan 0.000 0.487 55 M N 3.292 122.773 119.600 -0.199 0.000 2.549 55 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 55 M C 1.100 177.318 176.300 -0.137 0.000 1.076 55 M CA 0.525 55.727 55.300 -0.163 0.000 1.090 55 M CB -0.663 31.808 32.600 -0.214 0.000 1.418 55 M HN 0.365 nan 8.290 nan 0.000 0.486 56 N N 0.282 118.893 118.700 -0.147 0.000 2.376 56 N HA -0.073 4.667 4.740 -0.000 0.000 0.177 56 N C 0.259 175.735 175.510 -0.056 0.000 1.024 56 N CA 0.866 53.858 53.050 -0.097 0.000 0.893 56 N CB 0.175 38.598 38.487 -0.107 0.000 0.980 56 N HN 0.265 nan 8.380 nan 0.000 0.439 57 D N -0.318 120.056 120.400 -0.044 0.000 2.772 57 D HA 0.221 4.861 4.640 -0.000 0.000 0.326 57 D C -1.922 174.375 176.300 -0.005 0.000 1.207 57 D CA -1.913 52.077 54.000 -0.017 0.000 0.777 57 D CB 0.768 41.565 40.800 -0.005 0.000 1.169 57 D HN -0.085 nan 8.370 nan 0.000 0.506 58 P HA -0.107 nan 4.420 nan 0.000 0.216 58 P C 1.185 178.491 177.300 0.009 0.000 1.150 58 P CA 0.844 63.943 63.100 -0.002 0.000 0.843 58 P CB 0.298 31.994 31.700 -0.007 0.000 0.787 59 S N -1.066 114.638 115.700 0.007 0.000 2.561 59 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 59 S C 0.864 175.472 174.600 0.014 0.000 0.977 59 S CA 0.430 58.636 58.200 0.010 0.000 0.926 59 S CB -0.610 62.594 63.200 0.007 0.000 0.769 59 S HN 0.226 nan 8.310 nan 0.000 0.533 60 N N 2.272 120.982 118.700 0.017 0.000 2.818 60 N HA 0.270 5.010 4.740 -0.000 0.000 0.301 60 N C -3.040 172.487 175.510 0.029 0.000 1.821 60 N CA -0.967 52.095 53.050 0.021 0.000 0.930 60 N CB 0.855 39.353 38.487 0.019 0.000 1.263 60 N HN 0.166 nan 8.380 nan 0.000 0.487 61 P HA 0.065 nan 4.420 nan 0.000 0.265 61 P C 0.037 177.356 177.300 0.033 0.000 1.187 61 P CA 0.259 63.380 63.100 0.036 0.000 0.766 61 P CB 0.857 32.576 31.700 0.031 0.000 0.820 62 I N 3.215 123.807 120.570 0.036 0.000 2.313 62 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 62 I C 0.921 177.049 176.117 0.018 0.000 1.091 62 I CA -0.251 61.065 61.300 0.027 0.000 1.216 62 I CB 0.185 38.201 38.000 0.028 0.000 1.434 62 I HN 0.149 nan 8.210 nan 0.000 0.487 63 R N 6.515 127.025 120.500 0.016 0.000 2.215 63 R HA 0.498 4.838 4.340 -0.000 0.000 0.337 63 R C -0.903 175.400 176.300 0.005 0.000 1.010 63 R CA -0.563 55.544 56.100 0.011 0.000 0.871 63 R CB 0.524 30.832 30.300 0.013 0.000 1.134 63 R HN 0.437 nan 8.270 nan 0.000 0.477 64 R N 4.500 124.999 120.500 -0.002 0.000 2.621 64 R HA 0.418 4.757 4.340 -0.000 0.000 0.284 64 R C -2.799 173.489 176.300 -0.019 0.000 0.998 64 R CA -2.545 53.549 56.100 -0.009 0.000 0.895 64 R CB 1.964 32.258 30.300 -0.011 0.000 1.195 64 R HN 0.533 nan 8.270 nan 0.000 0.450 65 P HA 0.428 nan 4.420 nan 0.000 0.276 65 P C -0.464 176.809 177.300 -0.046 0.000 1.230 65 P CA -0.161 62.923 63.100 -0.026 0.000 0.776 65 P CB 0.825 32.513 31.700 -0.019 0.000 0.888 66 I N 0.966 121.507 120.570 -0.049 0.000 3.004 66 I HA 0.268 4.438 4.170 -0.000 0.000 0.305 66 I C -0.705 175.379 176.117 -0.055 0.000 1.312 66 I CA -0.605 60.651 61.300 -0.073 0.000 0.992 66 I CB 2.430 40.382 38.000 -0.081 0.000 1.282 66 I HN 0.246 nan 8.210 nan 0.000 0.449 67 S N 3.643 119.305 115.700 -0.063 0.000 2.516 67 S HA 0.926 5.396 4.470 -0.000 0.000 0.268 67 S C -0.775 173.800 174.600 -0.042 0.000 1.251 67 S CA -0.349 57.823 58.200 -0.046 0.000 1.153 67 S CB 1.109 64.282 63.200 -0.044 0.000 1.009 67 S HN 0.913 nan 8.310 nan 0.000 0.479 68 A N 2.744 125.547 122.820 -0.029 0.000 2.594 68 A HA 0.607 4.927 4.320 -0.000 0.000 0.296 68 A C -0.023 177.552 177.584 -0.014 0.000 1.061 68 A CA -0.544 51.482 52.037 -0.019 0.000 0.689 68 A CB 0.679 19.681 19.000 0.005 0.000 1.280 68 A HN 0.755 nan 8.150 nan 0.000 0.406 69 D N 0.047 120.431 120.400 -0.027 0.000 2.347 69 D HA 0.302 4.942 4.640 -0.000 0.000 0.213 69 D C 0.473 176.769 176.300 -0.007 0.000 0.985 69 D CA 0.978 54.960 54.000 -0.029 0.000 0.879 69 D CB 0.435 41.201 40.800 -0.056 0.000 0.919 69 D HN 0.511 nan 8.370 nan 0.000 0.526 70 S N -1.121 114.599 115.700 0.034 0.000 2.548 70 S HA 0.646 5.116 4.470 -0.000 0.000 0.278 70 S C -1.983 172.780 174.600 0.272 0.000 1.150 70 S CA -0.485 57.791 58.200 0.127 0.000 0.907 70 S CB 1.211 64.457 63.200 0.078 0.000 1.108 70 S HN 0.446 nan 8.310 nan 0.000 0.459 71 A N 4.074 127.036 122.820 0.237 0.000 2.408 71 A HA 0.809 5.129 4.320 -0.000 0.000 0.295 71 A C -0.864 176.777 177.584 0.095 0.000 1.040 71 A CA -0.744 51.401 52.037 0.179 0.000 0.707 71 A CB 0.805 19.860 19.000 0.093 0.000 1.235 71 A HN 1.246 nan 8.150 nan 0.000 0.418 72 I N -0.176 120.399 120.570 0.009 0.000 2.478 72 I HA 0.544 4.714 4.170 -0.000 0.000 0.287 72 I C -0.575 175.617 176.117 0.125 0.000 1.042 72 I CA -0.902 60.394 61.300 -0.008 0.000 1.067 72 I CB 1.740 39.600 38.000 -0.233 0.000 1.233 72 I HN 0.390 nan 8.210 nan 0.000 0.431 73 M N 4.560 124.168 119.600 0.013 0.000 2.228 73 M HA 0.156 4.636 4.480 -0.000 0.000 0.351 73 M C 0.514 176.561 176.300 -0.422 0.000 1.233 73 M CA 0.312 55.510 55.300 -0.170 0.000 1.129 73 M CB 0.338 32.773 32.600 -0.276 0.000 1.604 73 M HN 0.747 nan 8.290 nan 0.000 0.457 74 N N 4.285 122.518 118.700 -0.779 0.000 2.292 74 N HA -0.054 4.686 4.740 -0.000 0.000 0.242 74 N C -1.880 173.228 175.510 -0.671 0.000 1.243 74 N CA -0.591 51.617 53.050 -1.404 0.000 0.851 74 N CB 0.893 38.723 38.487 -1.096 0.000 1.093 74 N HN 0.293 nan 8.380 nan 0.000 0.450 75 P HA -0.037 nan 4.420 nan 0.000 0.222 75 P C 0.005 177.257 177.300 -0.080 0.000 1.147 75 P CA 1.397 64.381 63.100 -0.194 0.000 0.790 75 P CB 0.329 31.950 31.700 -0.133 0.000 0.780 76 A N -2.608 120.143 122.820 -0.115 0.000 1.853 76 A HA 0.216 4.536 4.320 -0.000 0.000 0.204 76 A C 1.275 178.889 177.584 0.050 0.000 1.724 76 A CA 0.258 52.283 52.037 -0.019 0.000 1.105 76 A CB -0.516 18.447 19.000 -0.062 0.000 1.101 76 A HN 0.102 nan 8.150 nan 0.000 0.495 77 S N 0.481 116.131 115.700 -0.083 0.000 2.614 77 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 77 S C 0.044 174.580 174.600 -0.107 0.000 1.303 77 S CA -0.398 57.755 58.200 -0.078 0.000 1.000 77 S CB 0.355 63.465 63.200 -0.150 0.000 0.935 77 S HN 0.288 nan 8.310 nan 0.000 0.551 78 K N 2.536 122.884 120.400 -0.086 0.000 2.480 78 K HA 0.253 4.573 4.320 -0.000 0.000 0.241 78 K C -1.146 175.354 176.600 -0.166 0.000 1.261 78 K CA -0.042 56.143 56.287 -0.170 0.000 1.193 78 K CB -0.276 32.181 32.500 -0.072 0.000 1.598 78 K HN 0.251 nan 8.250 nan 0.000 0.278 79 V N 2.283 122.067 119.914 -0.216 0.000 2.709 79 V HA 0.498 4.618 4.120 -0.000 0.000 0.308 79 V C -0.569 175.452 176.094 -0.121 0.000 1.062 79 V CA -1.035 61.185 62.300 -0.133 0.000 0.901 79 V CB 2.418 34.146 31.823 -0.158 0.000 1.003 79 V HN 0.394 nan 8.190 nan 0.000 0.425 80 I N 2.729 123.325 120.570 0.044 0.000 2.619 80 I HA 0.847 5.017 4.170 -0.000 0.000 0.292 80 I C -0.190 176.049 176.117 0.204 0.000 1.100 80 I CA -0.556 60.800 61.300 0.093 0.000 1.043 80 I CB 1.911 39.933 38.000 0.037 0.000 1.239 80 I HN 0.756 nan 8.210 nan 0.000 0.420 81 A N 7.984 130.918 122.820 0.190 0.000 2.305 81 A HA 0.822 5.142 4.320 -0.000 0.000 0.322 81 A C -1.316 176.397 177.584 0.216 0.000 1.187 81 A CA -0.452 51.650 52.037 0.108 0.000 0.825 81 A CB 0.730 19.540 19.000 -0.316 0.000 1.164 81 A HN 0.663 nan 8.150 nan 0.000 0.498 82 L N 1.808 123.263 121.223 0.387 0.000 2.385 82 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 82 L C -0.096 176.996 176.870 0.370 0.000 0.990 82 L CA -0.501 54.554 54.840 0.357 0.000 0.821 82 L CB 2.209 44.353 42.059 0.142 0.000 1.279 82 L HN 0.757 nan 8.230 nan 0.000 0.412 83 K N 2.378 122.903 120.400 0.208 0.000 2.274 83 K HA 0.803 5.123 4.320 -0.000 0.000 0.262 83 K C -0.935 175.612 176.600 -0.089 0.000 0.961 83 K CA -0.383 55.831 56.287 -0.123 0.000 0.833 83 K CB 1.723 33.882 32.500 -0.568 0.000 1.102 83 K HN 0.699 nan 8.250 nan 0.000 0.436 84 A N 3.991 126.755 122.820 -0.094 0.000 2.855 84 A HA 0.616 4.935 4.320 -0.000 0.000 0.313 84 A C 0.266 177.793 177.584 -0.094 0.000 1.173 84 A CA 0.031 52.023 52.037 -0.073 0.000 0.753 84 A CB 0.252 19.226 19.000 -0.044 0.000 1.200 84 A HN 1.018 nan 8.150 nan 0.000 0.442 85 G N 1.818 110.552 108.800 -0.111 0.000 2.514 85 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.265 85 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.265 85 G C 0.737 175.542 174.900 -0.158 0.000 1.150 85 G CA 0.545 45.575 45.100 -0.117 0.000 0.959 85 G HN 0.754 nan 8.290 nan 0.000 0.556 86 K N 0.556 120.865 120.400 -0.152 0.000 2.404 86 K HA 0.286 4.606 4.320 -0.000 0.000 0.194 86 K C 0.492 176.971 176.600 -0.201 0.000 1.023 86 K CA 0.590 56.766 56.287 -0.186 0.000 1.094 86 K CB 0.267 32.666 32.500 -0.168 0.000 0.841 86 K HN 0.362 nan 8.250 nan 0.000 0.523 87 T N 1.751 116.208 114.554 -0.162 0.000 2.743 87 T HA 0.362 4.712 4.350 -0.000 0.000 0.293 87 T C -0.332 174.311 174.700 -0.095 0.000 0.945 87 T CA -0.371 61.650 62.100 -0.131 0.000 1.030 87 T CB 0.658 69.474 68.868 -0.086 0.000 0.912 87 T HN 0.012 nan 8.240 nan 0.000 0.483 88 L N 3.682 124.866 121.223 -0.064 0.000 2.325 88 L HA 0.637 4.977 4.340 -0.000 0.000 0.278 88 L C 0.066 177.103 176.870 0.278 0.000 1.023 88 L CA -0.933 53.962 54.840 0.093 0.000 0.811 88 L CB 1.516 43.589 42.059 0.024 0.000 1.249 88 L HN 0.476 nan 8.230 nan 0.000 0.431 89 Q N 2.564 122.595 119.800 0.385 0.000 2.359 89 Q HA 0.622 4.961 4.340 -0.000 0.000 0.274 89 Q C -1.330 174.898 176.000 0.381 0.000 1.074 89 Q CA -0.473 55.558 55.803 0.380 0.000 0.810 89 Q CB 3.472 32.367 28.738 0.261 0.000 1.342 89 Q HN 0.500 nan 8.270 nan 0.000 0.427 90 I N 2.081 122.825 120.570 0.290 0.000 2.339 90 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 90 I C -1.066 175.185 176.117 0.223 0.000 0.994 90 I CA -0.590 60.818 61.300 0.179 0.000 1.191 90 I CB 0.758 38.742 38.000 -0.028 0.000 1.343 90 I HN 0.459 nan 8.210 nan 0.000 0.458 91 F N 6.360 126.342 119.950 0.054 0.000 2.493 91 F HA 0.372 4.899 4.527 -0.000 0.000 0.329 91 F C 0.168 175.967 175.800 -0.002 0.000 1.126 91 F CA -0.649 57.369 58.000 0.030 0.000 0.937 91 F CB 1.332 40.353 39.000 0.035 0.000 1.146 91 F HN 0.400 nan 8.300 nan 0.000 0.442 92 N N 6.021 124.504 118.700 -0.362 0.000 2.430 92 N HA 0.153 4.893 4.740 -0.000 0.000 0.265 92 N C 1.017 176.387 175.510 -0.234 0.000 1.100 92 N CA 0.263 53.163 53.050 -0.250 0.000 0.961 92 N CB 0.879 39.216 38.487 -0.250 0.000 1.075 92 N HN 0.818 nan 8.380 nan 0.000 0.478 93 I N 2.926 123.489 120.570 -0.013 0.000 2.233 93 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 93 I C 2.324 178.459 176.117 0.029 0.000 1.093 93 I CA 0.937 62.294 61.300 0.095 0.000 1.380 93 I CB 0.021 38.045 38.000 0.040 0.000 1.067 93 I HN 0.700 nan 8.210 nan 0.000 0.413 94 E N 1.192 121.378 120.200 -0.023 0.000 2.107 94 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 94 E C 2.127 178.705 176.600 -0.037 0.000 0.982 94 E CA 1.067 57.456 56.400 -0.019 0.000 0.809 94 E CB -0.219 29.469 29.700 -0.020 0.000 0.756 94 E HN 0.443 nan 8.360 nan 0.000 0.459 95 M N 0.483 120.032 119.600 -0.084 0.000 2.562 95 M HA 0.058 4.538 4.480 -0.000 0.000 0.257 95 M C 0.237 176.468 176.300 -0.116 0.000 1.099 95 M CA 0.613 55.851 55.300 -0.104 0.000 1.099 95 M CB -0.125 32.387 32.600 -0.146 0.000 1.427 95 M HN -0.042 nan 8.290 nan 0.000 0.489 96 K N 1.910 122.247 120.400 -0.105 0.000 3.071 96 K HA -0.150 4.170 4.320 -0.000 0.000 0.262 96 K C -0.277 176.147 176.600 -0.294 0.000 0.977 96 K CA 0.633 56.904 56.287 -0.027 0.000 0.721 96 K CB -1.727 30.847 32.500 0.123 0.000 1.293 96 K HN 0.566 nan 8.250 nan 0.000 0.475 97 S N -0.547 114.698 115.700 -0.759 0.000 2.548 97 S HA 0.429 4.899 4.470 -0.000 0.000 0.286 97 S C -0.516 173.525 174.600 -0.931 0.000 1.098 97 S CA -1.202 56.603 58.200 -0.658 0.000 0.930 97 S CB 2.360 65.387 63.200 -0.288 0.000 1.070 97 S HN 0.262 nan 8.310 nan 0.000 0.480 98 K N 2.201 122.382 120.400 -0.364 0.000 2.378 98 K HA 0.225 4.545 4.320 -0.000 0.000 0.288 98 K C 0.905 177.466 176.600 -0.066 0.000 1.057 98 K CA -0.122 56.134 56.287 -0.051 0.000 0.971 98 K CB 0.188 32.786 32.500 0.163 0.000 0.975 98 K HN 0.785 nan 8.250 nan 0.000 0.475 99 M N 2.737 122.306 119.600 -0.052 0.000 2.248 99 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 99 M C 0.440 176.753 176.300 0.022 0.000 1.079 99 M CA 1.206 56.485 55.300 -0.035 0.000 1.150 99 M CB 0.198 32.765 32.600 -0.055 0.000 1.366 99 M HN 0.420 nan 8.290 nan 0.000 0.433 100 K N -0.415 120.034 120.400 0.081 0.000 2.589 100 K HA 0.617 4.937 4.320 -0.000 0.000 0.265 100 K C -2.154 174.623 176.600 0.294 0.000 0.935 100 K CA -0.399 55.977 56.287 0.148 0.000 0.850 100 K CB 2.171 34.690 32.500 0.031 0.000 1.372 100 K HN 0.071 nan 8.250 nan 0.000 0.420 101 A N 2.165 125.197 122.820 0.353 0.000 2.498 101 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 101 A C -1.945 175.847 177.584 0.346 0.000 1.075 101 A CA -0.477 51.770 52.037 0.350 0.000 0.714 101 A CB 1.461 20.577 19.000 0.193 0.000 1.299 101 A HN 0.797 nan 8.150 nan 0.000 0.407 102 H N -0.468 118.623 119.070 0.035 0.000 3.038 102 H HA 0.654 5.210 4.556 -0.000 0.000 0.362 102 H C -1.256 173.936 175.328 -0.226 0.000 1.167 102 H CA 0.044 55.982 56.048 -0.183 0.000 1.197 102 H CB 2.053 31.497 29.762 -0.529 0.000 1.840 102 H HN 0.544 nan 8.280 nan 0.000 0.540 103 T N 6.090 120.170 114.554 -0.790 0.000 2.772 103 T HA 0.316 4.666 4.350 -0.000 0.000 0.288 103 T C -0.090 174.231 174.700 -0.633 0.000 0.994 103 T CA -0.810 60.969 62.100 -0.536 0.000 0.951 103 T CB 0.269 68.931 68.868 -0.344 0.000 0.933 103 T HN 0.377 nan 8.240 nan 0.000 0.447 104 M N 2.030 121.397 119.600 -0.388 0.000 2.291 104 M HA 0.260 4.740 4.480 -0.000 0.000 0.324 104 M C 1.696 177.859 176.300 -0.228 0.000 1.148 104 M CA -0.157 54.969 55.300 -0.290 0.000 1.104 104 M CB 0.845 33.282 32.600 -0.273 0.000 1.483 104 M HN 0.514 nan 8.290 nan 0.000 0.467 105 T N 0.313 114.757 114.554 -0.184 0.000 2.732 105 T HA -0.042 4.308 4.350 -0.000 0.000 0.261 105 T C 0.179 174.811 174.700 -0.114 0.000 1.040 105 T CA 1.125 63.147 62.100 -0.130 0.000 1.145 105 T CB 0.016 68.827 68.868 -0.096 0.000 0.866 105 T HN 0.552 nan 8.240 nan 0.000 0.427 106 D N 1.544 121.873 120.400 -0.119 0.000 2.217 106 D HA 0.291 4.931 4.640 -0.000 0.000 0.248 106 D C -0.468 175.758 176.300 -0.125 0.000 1.008 106 D CA -0.564 53.379 54.000 -0.096 0.000 0.914 106 D CB 0.646 41.412 40.800 -0.057 0.000 1.182 106 D HN 0.094 nan 8.370 nan 0.000 0.451 107 D N 0.185 120.522 120.400 -0.106 0.000 2.472 107 D HA 0.036 4.676 4.640 -0.000 0.000 0.237 107 D C -0.113 176.109 176.300 -0.129 0.000 1.141 107 D CA 0.169 54.094 54.000 -0.125 0.000 0.875 107 D CB 1.029 41.772 40.800 -0.096 0.000 1.192 107 D HN -0.056 nan 8.370 nan 0.000 0.450 108 V N 2.718 122.517 119.914 -0.192 0.000 2.368 108 V HA 0.050 4.170 4.120 -0.000 0.000 0.266 108 V C 1.632 177.628 176.094 -0.163 0.000 1.045 108 V CA -0.101 62.080 62.300 -0.199 0.000 0.899 108 V CB 0.917 32.532 31.823 -0.348 0.000 1.006 108 V HN 0.711 nan 8.190 nan 0.000 0.470 109 T N 1.631 116.166 114.554 -0.032 0.000 3.054 109 T HA 0.179 4.529 4.350 -0.000 0.000 0.259 109 T C 0.084 174.892 174.700 0.179 0.000 1.092 109 T CA 0.383 62.513 62.100 0.049 0.000 1.121 109 T CB 0.075 68.998 68.868 0.093 0.000 0.912 109 T HN 0.360 nan 8.240 nan 0.000 0.489 110 F N 1.562 121.529 119.950 0.029 0.000 2.608 110 F HA 0.552 5.079 4.527 -0.000 0.000 0.309 110 F C -2.305 173.627 175.800 0.220 0.000 1.103 110 F CA -1.348 56.740 58.000 0.147 0.000 0.954 110 F CB 1.783 40.910 39.000 0.212 0.000 1.267 110 F HN 0.263 nan 8.300 nan 0.000 0.444 111 W N 5.149 126.013 121.300 -0.728 0.000 3.074 111 W HA 0.740 5.400 4.660 -0.000 0.000 0.332 111 W C -2.333 173.819 176.519 -0.612 0.000 1.253 111 W CA -2.102 54.952 57.345 -0.485 0.000 1.180 111 W CB 0.989 30.296 29.460 -0.255 0.000 1.445 111 W HN 0.820 nan 8.180 nan 0.000 0.573 112 K N 1.203 121.453 120.400 -0.250 0.000 2.572 112 K HA 0.316 4.636 4.320 -0.000 0.000 0.263 112 K C -1.864 174.649 176.600 -0.146 0.000 0.932 112 K CA -0.452 55.741 56.287 -0.157 0.000 0.838 112 K CB 1.479 34.092 32.500 0.189 0.000 1.366 112 K HN 0.493 nan 8.250 nan 0.000 0.425 113 W N 5.509 126.744 121.300 -0.108 0.000 2.368 113 W HA 0.213 4.873 4.660 0.000 0.000 0.316 113 W C 1.426 177.966 176.519 0.035 0.000 1.375 113 W CA -0.364 56.945 57.345 -0.060 0.000 1.261 113 W CB 0.380 29.787 29.460 -0.088 0.000 1.298 113 W HN 0.528 nan 8.180 nan 0.000 0.539 114 I N 0.603 121.322 120.570 0.248 0.000 3.860 114 I HA 0.251 4.421 4.170 -0.000 0.000 0.319 114 I C 0.646 176.862 176.117 0.166 0.000 1.279 114 I CA 0.052 61.473 61.300 0.202 0.000 1.220 114 I CB -0.146 37.947 38.000 0.154 0.000 1.027 114 I HN 0.231 nan 8.210 nan 0.000 0.428 115 S N -0.281 115.539 115.700 0.200 0.000 2.727 115 S HA 0.431 4.901 4.470 -0.000 0.000 0.278 115 S C 0.242 174.941 174.600 0.165 0.000 1.186 115 S CA -0.850 57.438 58.200 0.147 0.000 0.836 115 S CB 0.925 64.188 63.200 0.104 0.000 1.186 115 S HN 0.131 nan 8.310 nan 0.000 0.499 116 L N 0.780 122.038 121.223 0.059 0.000 2.265 116 L HA 0.004 4.343 4.340 -0.000 0.000 0.215 116 L C 2.192 179.096 176.870 0.056 0.000 1.117 116 L CA 1.735 56.557 54.840 -0.031 0.000 0.782 116 L CB -0.704 41.324 42.059 -0.052 0.000 0.914 116 L HN 0.819 nan 8.230 nan 0.000 0.441 117 N N -1.561 117.225 118.700 0.142 0.000 2.407 117 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 117 N C 0.056 175.682 175.510 0.193 0.000 1.079 117 N CA 0.333 53.474 53.050 0.151 0.000 0.882 117 N CB 0.702 39.227 38.487 0.064 0.000 1.106 117 N HN -0.058 nan 8.380 nan 0.000 0.461 118 T N 0.527 115.197 114.554 0.193 0.000 2.807 118 T HA 0.477 4.827 4.350 -0.000 0.000 0.279 118 T C -0.923 173.721 174.700 -0.094 0.000 0.993 118 T CA -0.569 61.548 62.100 0.028 0.000 0.970 118 T CB 2.135 71.003 68.868 -0.001 0.000 0.950 118 T HN -0.210 nan 8.240 nan 0.000 0.441 119 V N 2.832 122.565 119.914 -0.302 0.000 2.370 119 V HA 0.669 4.789 4.120 -0.000 0.000 0.279 119 V C 0.445 176.495 176.094 -0.074 0.000 1.029 119 V CA -1.014 61.026 62.300 -0.433 0.000 0.870 119 V CB 1.143 32.571 31.823 -0.659 0.000 0.984 119 V HN 1.080 nan 8.190 nan 0.000 0.451 120 A N 6.567 129.364 122.820 -0.040 0.000 2.328 120 A HA 0.789 5.109 4.320 -0.000 0.000 0.284 120 A C -0.540 177.104 177.584 0.099 0.000 1.160 120 A CA -0.337 51.733 52.037 0.055 0.000 0.818 120 A CB 0.223 19.228 19.000 0.009 0.000 1.087 120 A HN 0.822 nan 8.150 nan 0.000 0.504 121 L N 3.357 124.651 121.223 0.118 0.000 2.325 121 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 121 L C -0.910 176.017 176.870 0.095 0.000 1.004 121 L CA -0.788 54.131 54.840 0.132 0.000 0.823 121 L CB 1.785 43.885 42.059 0.069 0.000 1.236 121 L HN 0.395 nan 8.230 nan 0.000 0.415 122 V N 1.911 121.893 119.914 0.114 0.000 2.357 122 V HA 0.425 4.545 4.120 -0.000 0.000 0.284 122 V C 0.573 176.713 176.094 0.077 0.000 1.018 122 V CA -0.435 61.918 62.300 0.090 0.000 0.841 122 V CB 1.627 33.559 31.823 0.181 0.000 0.991 122 V HN 0.907 nan 8.190 nan 0.000 0.437 123 T N -0.151 114.442 114.554 0.065 0.000 2.888 123 T HA 0.304 4.654 4.350 -0.000 0.000 0.283 123 T C 0.803 175.522 174.700 0.031 0.000 1.013 123 T CA -0.239 61.886 62.100 0.042 0.000 0.938 123 T CB 1.120 70.027 68.868 0.065 0.000 1.298 123 T HN 0.467 nan 8.240 nan 0.000 0.580 124 D N -0.026 120.387 120.400 0.020 0.000 2.144 124 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 124 D C 1.728 178.034 176.300 0.009 0.000 0.984 124 D CA 1.086 55.096 54.000 0.017 0.000 0.834 124 D CB 0.066 40.870 40.800 0.008 0.000 0.955 124 D HN 0.446 nan 8.370 nan 0.000 0.465 125 N N -0.747 117.954 118.700 0.001 0.000 2.414 125 N HA 0.234 4.973 4.740 -0.000 0.000 0.177 125 N C -0.083 175.382 175.510 -0.075 0.000 1.062 125 N CA 0.337 53.376 53.050 -0.019 0.000 0.890 125 N CB 1.053 39.533 38.487 -0.011 0.000 1.070 125 N HN 0.082 nan 8.380 nan 0.000 0.454 126 A N -0.142 122.608 122.820 -0.117 0.000 2.602 126 A HA 0.676 4.996 4.320 -0.000 0.000 0.290 126 A C -1.414 175.905 177.584 -0.441 0.000 1.114 126 A CA -0.482 51.346 52.037 -0.348 0.000 0.683 126 A CB 1.228 19.935 19.000 -0.489 0.000 1.281 126 A HN -0.159 nan 8.150 nan 0.000 0.416 127 V N 0.795 120.204 119.914 -0.840 0.000 2.495 127 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 127 V C -1.326 174.313 176.094 -0.757 0.000 1.031 127 V CA -0.316 61.530 62.300 -0.757 0.000 0.871 127 V CB 1.040 32.188 31.823 -1.125 0.000 0.988 127 V HN 0.743 nan 8.190 nan 0.000 0.432 128 Y N 1.871 121.995 120.300 -0.293 0.000 2.570 128 Y HA 0.613 5.163 4.550 -0.000 0.000 0.345 128 Y C 0.123 176.064 175.900 0.069 0.000 1.014 128 Y CA -0.973 57.026 58.100 -0.169 0.000 1.063 128 Y CB 1.656 40.034 38.460 -0.138 0.000 1.272 128 Y HN 0.582 nan 8.280 nan 0.000 0.477 129 H N 0.165 119.317 119.070 0.137 0.000 2.547 129 H HA 0.172 4.728 4.556 -0.000 0.000 0.342 129 H C -1.695 173.764 175.328 0.219 0.000 1.048 129 H CA -0.800 55.339 56.048 0.152 0.000 1.204 129 H CB 1.606 31.453 29.762 0.140 0.000 1.493 129 H HN 0.665 nan 8.280 nan 0.000 0.511 130 W N 4.059 125.400 121.300 0.069 0.000 2.362 130 W HA 0.278 4.938 4.660 -0.000 0.000 0.316 130 W C -0.472 176.033 176.519 -0.023 0.000 1.024 130 W CA -0.946 56.389 57.345 -0.018 0.000 1.270 130 W CB 1.582 30.994 29.460 -0.079 0.000 1.273 130 W HN 0.347 nan 8.180 nan 0.000 0.424 131 S N 6.341 122.054 115.700 0.022 0.000 2.528 131 S HA 0.091 4.560 4.470 -0.000 0.000 0.277 131 S C 1.276 175.671 174.600 -0.342 0.000 1.297 131 S CA -0.335 57.798 58.200 -0.111 0.000 1.052 131 S CB 0.616 63.815 63.200 -0.002 0.000 0.917 131 S HN 0.761 nan 8.310 nan 0.000 0.492 132 M N 4.323 123.757 119.600 -0.276 0.000 2.099 132 M HA -0.025 4.455 4.480 -0.000 0.000 0.262 132 M C 0.967 177.167 176.300 -0.166 0.000 1.067 132 M CA 1.241 56.373 55.300 -0.280 0.000 1.124 132 M CB -0.428 32.131 32.600 -0.069 0.000 1.353 132 M HN 0.855 nan 8.290 nan 0.000 0.410 133 E N 0.969 121.119 120.200 -0.084 0.000 2.398 133 E HA 0.419 4.769 4.350 -0.000 0.000 0.263 133 E C 0.461 177.040 176.600 -0.035 0.000 1.046 133 E CA 0.067 56.439 56.400 -0.047 0.000 0.908 133 E CB 0.439 30.126 29.700 -0.021 0.000 0.963 133 E HN 0.599 nan 8.360 nan 0.000 0.431 134 G N 2.521 111.311 108.800 -0.017 0.000 2.584 134 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.229 134 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.229 134 G C 0.260 175.172 174.900 0.020 0.000 1.320 134 G CA 0.225 45.328 45.100 0.005 0.000 0.891 134 G HN 0.767 nan 8.290 nan 0.000 0.573 135 E N -0.181 120.046 120.200 0.044 0.000 2.485 135 E HA 0.270 4.620 4.350 -0.000 0.000 0.213 135 E C 1.543 178.207 176.600 0.106 0.000 0.923 135 E CA 0.873 57.316 56.400 0.071 0.000 1.054 135 E CB 0.007 29.742 29.700 0.057 0.000 1.077 135 E HN 1.138 nan 8.360 nan 0.000 0.509 136 S N 1.310 117.068 115.700 0.097 0.000 2.599 136 S HA -0.108 4.362 4.470 -0.000 0.000 0.303 136 S C 0.280 174.998 174.600 0.195 0.000 1.267 136 S CA -0.040 58.232 58.200 0.120 0.000 1.055 136 S CB 0.556 63.822 63.200 0.110 0.000 0.790 136 S HN 0.220 nan 8.310 nan 0.000 0.500 137 Q N 2.094 121.955 119.800 0.102 0.000 2.249 137 Q HA 0.355 4.695 4.340 -0.000 0.000 0.226 137 Q C -2.376 173.573 176.000 -0.085 0.000 0.983 137 Q CA -2.159 53.596 55.803 -0.081 0.000 0.930 137 Q CB -0.170 28.479 28.738 -0.148 0.000 1.193 137 Q HN 0.481 nan 8.270 nan 0.000 0.508 138 P HA -0.053 nan 4.420 nan 0.000 0.264 138 P C -1.043 176.268 177.300 0.019 0.000 1.183 138 P CA 0.322 63.301 63.100 -0.203 0.000 0.763 138 P CB 0.388 31.741 31.700 -0.579 0.000 0.807 139 V N 4.286 124.292 119.914 0.153 0.000 2.398 139 V HA 0.227 4.347 4.120 -0.000 0.000 0.286 139 V C 0.567 176.718 176.094 0.095 0.000 1.026 139 V CA -0.701 61.675 62.300 0.126 0.000 0.868 139 V CB 1.342 33.213 31.823 0.079 0.000 0.982 139 V HN 0.439 nan 8.190 nan 0.000 0.443 140 K N 4.425 124.821 120.400 -0.008 0.000 2.368 140 K HA 0.233 4.553 4.320 -0.000 0.000 0.282 140 K C 0.675 177.060 176.600 -0.359 0.000 1.035 140 K CA -0.273 55.741 56.287 -0.455 0.000 0.973 140 K CB 0.624 32.834 32.500 -0.484 0.000 0.957 140 K HN 0.557 nan 8.250 nan 0.000 0.474 141 M N 3.908 123.210 119.600 -0.496 0.000 2.691 141 M HA 0.178 4.658 4.480 -0.000 0.000 0.261 141 M C -0.020 176.032 176.300 -0.413 0.000 1.227 141 M CA 0.716 55.787 55.300 -0.382 0.000 1.197 141 M CB -0.391 31.965 32.600 -0.407 0.000 1.294 141 M HN 0.597 nan 8.290 nan 0.000 0.508 142 F N -1.874 117.705 119.950 -0.619 0.000 2.703 142 F HA 0.548 5.075 4.527 -0.000 0.000 0.308 142 F C -1.546 174.034 175.800 -0.367 0.000 1.126 142 F CA -1.808 55.840 58.000 -0.586 0.000 0.959 142 F CB 0.559 39.002 39.000 -0.927 0.000 1.297 142 F HN -0.233 nan 8.300 nan 0.000 0.441 143 D N 2.094 122.455 120.400 -0.065 0.000 2.302 143 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 143 D C -0.100 176.271 176.300 0.118 0.000 1.094 143 D CA -0.215 53.750 54.000 -0.059 0.000 0.897 143 D CB 1.397 42.189 40.800 -0.014 0.000 1.200 143 D HN 0.509 nan 8.370 nan 0.000 0.429 144 R N 1.036 121.562 120.500 0.044 0.000 2.643 144 R HA 0.055 4.395 4.340 -0.000 0.000 0.270 144 R C 0.664 177.063 176.300 0.165 0.000 1.061 144 R CA -0.177 56.016 56.100 0.154 0.000 1.107 144 R CB 0.564 30.912 30.300 0.079 0.000 0.999 144 R HN 0.458 nan 8.270 nan 0.000 0.460 145 H N 0.727 119.864 119.070 0.111 0.000 2.525 145 H HA -0.003 4.553 4.556 -0.000 0.000 0.339 145 H C 0.877 176.233 175.328 0.045 0.000 1.109 145 H CA 0.168 56.258 56.048 0.069 0.000 1.352 145 H CB 1.890 31.691 29.762 0.065 0.000 1.461 145 H HN 0.607 nan 8.280 nan 0.000 0.533 146 S N 2.529 118.099 115.700 -0.217 0.000 2.407 146 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 146 S C 2.161 176.814 174.600 0.089 0.000 1.036 146 S CA 2.000 60.151 58.200 -0.083 0.000 1.013 146 S CB -0.285 62.803 63.200 -0.186 0.000 0.820 146 S HN 0.788 nan 8.310 nan 0.000 0.476 147 S N 0.858 116.754 115.700 0.326 0.000 2.469 147 S HA 0.082 4.552 4.470 -0.000 0.000 0.238 147 S C 1.535 176.212 174.600 0.128 0.000 0.998 147 S CA 0.736 59.071 58.200 0.226 0.000 0.957 147 S CB -0.497 62.833 63.200 0.216 0.000 0.764 147 S HN 0.585 nan 8.310 nan 0.000 0.514 148 L N 0.990 122.297 121.223 0.140 0.000 2.592 148 L HA 0.379 4.719 4.340 -0.000 0.000 0.227 148 L C 1.263 178.172 176.870 0.065 0.000 1.127 148 L CA 0.072 54.966 54.840 0.090 0.000 0.884 148 L CB -1.221 40.902 42.059 0.106 0.000 1.065 148 L HN 0.341 nan 8.230 nan 0.000 0.457 149 A N 0.403 123.257 122.820 0.057 0.000 2.511 149 A HA 0.394 4.714 4.320 -0.000 0.000 0.242 149 A C 1.489 179.091 177.584 0.030 0.000 1.069 149 A CA 0.809 52.868 52.037 0.036 0.000 0.763 149 A CB -0.051 18.963 19.000 0.022 0.000 1.001 149 A HN 0.605 nan 8.150 nan 0.000 0.498 150 G N 0.801 109.617 108.800 0.028 0.000 2.189 150 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 150 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 150 G C 0.452 175.368 174.900 0.028 0.000 0.975 150 G CA 0.377 45.491 45.100 0.025 0.000 0.644 150 G HN 1.072 nan 8.290 nan 0.000 0.537 151 C N 0.611 119.931 119.300 0.034 0.000 2.539 151 C HA 0.534 4.994 4.460 -0.000 0.000 0.392 151 C C 1.083 176.099 174.990 0.044 0.000 1.269 151 C CA -0.336 58.702 59.018 0.033 0.000 2.250 151 C CB 1.051 28.811 27.740 0.034 0.000 2.584 151 C HN 0.632 nan 8.230 nan 0.000 0.589 152 Q N 2.165 121.990 119.800 0.042 0.000 2.286 152 Q HA 0.241 4.581 4.340 -0.000 0.000 0.267 152 Q C -0.424 175.603 176.000 0.045 0.000 1.028 152 Q CA -0.118 55.720 55.803 0.060 0.000 0.901 152 Q CB 0.362 29.129 28.738 0.047 0.000 1.183 152 Q HN 0.528 nan 8.270 nan 0.000 0.392 153 I N 6.522 127.129 120.570 0.061 0.000 2.452 153 I HA -0.030 4.140 4.170 -0.000 0.000 0.287 153 I C 1.043 177.101 176.117 -0.099 0.000 1.079 153 I CA 0.491 61.763 61.300 -0.046 0.000 1.387 153 I CB 0.453 38.403 38.000 -0.082 0.000 1.404 153 I HN 0.755 nan 8.210 nan 0.000 0.522 154 I N 2.351 122.833 120.570 -0.147 0.000 4.187 154 I HA 0.379 4.549 4.170 -0.000 0.000 0.326 154 I C 0.398 176.507 176.117 -0.014 0.000 1.302 154 I CA 0.206 61.476 61.300 -0.051 0.000 1.196 154 I CB 0.478 38.448 38.000 -0.049 0.000 1.095 154 I HN 0.470 nan 8.210 nan 0.000 0.411 155 N N 0.056 118.612 118.700 -0.240 0.000 3.043 155 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 155 N C -2.296 173.275 175.510 0.102 0.000 1.347 155 N CA -0.417 52.651 53.050 0.031 0.000 0.896 155 N CB 2.368 40.979 38.487 0.206 0.000 1.501 155 N HN 0.119 nan 8.380 nan 0.000 0.504 156 Y N 1.093 121.536 120.300 0.238 0.000 2.401 156 Y HA 0.595 5.145 4.550 -0.000 0.000 0.330 156 Y C -1.190 174.922 175.900 0.354 0.000 1.071 156 Y CA -0.506 57.783 58.100 0.315 0.000 1.049 156 Y CB 0.983 39.696 38.460 0.423 0.000 1.239 156 Y HN 0.396 nan 8.280 nan 0.000 0.437 157 R N 3.147 123.544 120.500 -0.171 0.000 2.808 157 R HA 0.705 5.045 4.340 -0.000 0.000 0.272 157 R C -1.343 174.938 176.300 -0.032 0.000 0.995 157 R CA -0.925 55.208 56.100 0.054 0.000 0.917 157 R CB 2.328 32.805 30.300 0.295 0.000 1.217 157 R HN 0.762 nan 8.270 nan 0.000 0.471 158 T N 0.950 115.560 114.554 0.093 0.000 2.903 158 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 158 T C -0.850 173.742 174.700 -0.181 0.000 1.093 158 T CA -0.801 61.259 62.100 -0.066 0.000 1.002 158 T CB 1.818 70.690 68.868 0.007 0.000 1.127 158 T HN 0.597 nan 8.240 nan 0.000 0.488 159 D N 1.125 121.127 120.400 -0.665 0.000 2.398 159 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 159 D C 1.470 177.728 176.300 -0.070 0.000 1.227 159 D CA -0.384 53.381 54.000 -0.391 0.000 0.980 159 D CB 0.712 41.241 40.800 -0.453 0.000 1.106 159 D HN 0.516 nan 8.370 nan 0.000 0.493 160 A N 0.637 123.468 122.820 0.018 0.000 2.032 160 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 160 A C 1.903 179.510 177.584 0.039 0.000 1.165 160 A CA 1.495 53.559 52.037 0.046 0.000 0.645 160 A CB -0.517 18.520 19.000 0.062 0.000 0.807 160 A HN 0.639 nan 8.150 nan 0.000 0.453 161 K N -1.390 119.031 120.400 0.034 0.000 2.367 161 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 161 K C -0.131 176.488 176.600 0.031 0.000 1.027 161 K CA 0.311 56.621 56.287 0.039 0.000 1.075 161 K CB 0.284 32.816 32.500 0.054 0.000 0.845 161 K HN 0.547 nan 8.250 nan 0.000 0.529 162 Q N 0.118 119.929 119.800 0.019 0.000 2.494 162 Q HA -0.205 4.135 4.340 -0.000 0.000 0.272 162 Q C 0.373 176.374 176.000 0.001 0.000 1.145 162 Q CA 0.450 56.276 55.803 0.039 0.000 0.943 162 Q CB -0.717 28.080 28.738 0.098 0.000 1.338 162 Q HN 0.053 nan 8.270 nan 0.000 0.492 163 K N -1.149 119.204 120.400 -0.079 0.000 2.354 163 K HA 0.111 4.431 4.320 -0.000 0.000 0.194 163 K C -0.262 175.959 176.600 -0.633 0.000 1.045 163 K CA 0.744 56.862 56.287 -0.281 0.000 1.026 163 K CB 0.461 32.807 32.500 -0.257 0.000 0.866 163 K HN 0.238 nan 8.250 nan 0.000 0.530 164 W N 1.524 122.681 121.300 -0.238 0.000 2.619 164 W HA 0.471 5.131 4.660 -0.000 0.000 0.327 164 W C -0.645 175.682 176.519 -0.319 0.000 1.027 164 W CA -0.515 56.638 57.345 -0.320 0.000 1.233 164 W CB 0.981 30.145 29.460 -0.493 0.000 1.370 164 W HN -0.293 nan 8.180 nan 0.000 0.453 165 L N 4.767 126.047 121.223 0.095 0.000 2.365 165 L HA 0.717 5.056 4.340 -0.000 0.000 0.273 165 L C -0.977 175.981 176.870 0.147 0.000 1.000 165 L CA -1.277 53.644 54.840 0.135 0.000 0.819 165 L CB 1.715 43.991 42.059 0.362 0.000 1.284 165 L HN 0.256 nan 8.230 nan 0.000 0.418 166 L N 3.967 125.254 121.223 0.107 0.000 2.404 166 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 166 L C -1.398 175.587 176.870 0.192 0.000 0.980 166 L CA -0.337 54.594 54.840 0.152 0.000 0.836 166 L CB 1.834 44.028 42.059 0.225 0.000 1.238 166 L HN 0.502 nan 8.230 nan 0.000 0.408 167 L N 4.368 125.791 121.223 0.333 0.000 2.307 167 L HA 0.731 5.071 4.340 -0.000 0.000 0.284 167 L C -0.543 176.451 176.870 0.206 0.000 1.023 167 L CA 0.398 55.477 54.840 0.399 0.000 0.810 167 L CB 1.880 44.239 42.059 0.499 0.000 1.231 167 L HN 0.680 nan 8.230 nan 0.000 0.423 168 T N 4.030 118.669 114.554 0.142 0.000 2.792 168 T HA 0.779 5.128 4.350 -0.000 0.000 0.280 168 T C -0.108 174.615 174.700 0.039 0.000 0.990 168 T CA -0.465 61.685 62.100 0.083 0.000 0.960 168 T CB 1.388 70.314 68.868 0.097 0.000 0.939 168 T HN 0.841 nan 8.240 nan 0.000 0.439 169 G N 2.194 111.019 108.800 0.041 0.000 2.524 169 G HA2 0.796 4.756 3.960 -0.000 0.000 0.310 169 G HA3 0.796 4.756 3.960 -0.000 0.000 0.310 169 G C -0.840 174.082 174.900 0.036 0.000 1.279 169 G CA -0.958 44.161 45.100 0.032 0.000 0.974 169 G HN 0.895 nan 8.290 nan 0.000 0.484 170 I N -1.538 119.056 120.570 0.040 0.000 2.892 170 I HA 0.877 5.047 4.170 -0.000 0.000 0.306 170 I C -0.562 175.561 176.117 0.010 0.000 1.078 170 I CA -1.118 60.205 61.300 0.039 0.000 1.032 170 I CB 2.692 40.752 38.000 0.101 0.000 1.229 170 I HN 0.431 nan 8.210 nan 0.000 0.435 171 S N 2.688 118.376 115.700 -0.018 0.000 2.677 171 S HA 0.766 5.236 4.470 -0.000 0.000 0.283 171 S C -0.604 173.963 174.600 -0.054 0.000 1.159 171 S CA -0.447 57.739 58.200 -0.024 0.000 1.001 171 S CB 1.324 64.514 63.200 -0.016 0.000 1.032 171 S HN 1.025 nan 8.310 nan 0.000 0.487 172 A N 4.798 127.592 122.820 -0.044 0.000 2.354 172 A HA 0.661 4.980 4.320 -0.000 0.000 0.281 172 A C 0.015 177.576 177.584 -0.038 0.000 1.174 172 A CA -0.215 51.788 52.037 -0.055 0.000 0.828 172 A CB 0.321 19.304 19.000 -0.029 0.000 1.099 172 A HN 0.754 nan 8.150 nan 0.000 0.516 173 Q N 0.922 120.693 119.800 -0.048 0.000 2.495 173 Q HA 0.246 4.586 4.340 -0.000 0.000 0.283 173 Q C 0.630 176.612 176.000 -0.030 0.000 1.097 173 Q CA -0.915 54.869 55.803 -0.033 0.000 0.836 173 Q CB 1.048 29.767 28.738 -0.033 0.000 1.426 173 Q HN 0.835 nan 8.270 nan 0.000 0.459 174 Q N 0.976 120.764 119.800 -0.021 0.000 2.014 174 Q HA -0.117 4.223 4.340 -0.000 0.000 0.207 174 Q C 0.509 176.498 176.000 -0.019 0.000 0.993 174 Q CA 2.110 57.904 55.803 -0.015 0.000 0.850 174 Q CB 0.109 28.840 28.738 -0.010 0.000 0.916 174 Q HN 0.505 nan 8.270 nan 0.000 0.417 175 N N 0.285 118.970 118.700 -0.025 0.000 2.251 175 N HA 0.149 4.888 4.740 -0.000 0.000 0.217 175 N C -0.765 174.716 175.510 -0.049 0.000 1.124 175 N CA 0.156 53.188 53.050 -0.029 0.000 0.843 175 N CB 0.665 39.139 38.487 -0.023 0.000 1.024 175 N HN 0.332 nan 8.380 nan 0.000 0.501 176 R N -2.775 117.686 120.500 -0.064 0.000 2.825 176 R HA 0.281 4.621 4.340 -0.000 0.000 0.274 176 R C -1.972 174.243 176.300 -0.142 0.000 1.026 176 R CA -0.748 55.290 56.100 -0.104 0.000 0.867 176 R CB 0.355 30.606 30.300 -0.082 0.000 1.268 176 R HN -0.261 nan 8.270 nan 0.000 0.491 177 V N 2.381 122.142 119.914 -0.254 0.000 2.364 177 V HA 0.297 4.417 4.120 -0.000 0.000 0.272 177 V C 0.129 176.146 176.094 -0.128 0.000 1.036 177 V CA -0.693 61.408 62.300 -0.333 0.000 0.880 177 V CB 1.407 32.713 31.823 -0.862 0.000 0.991 177 V HN 0.518 nan 8.190 nan 0.000 0.460 178 V N 4.367 124.235 119.914 -0.077 0.000 2.583 178 V HA 0.555 4.675 4.120 -0.000 0.000 0.287 178 V C 0.937 176.988 176.094 -0.073 0.000 1.051 178 V CA -0.008 62.262 62.300 -0.049 0.000 1.010 178 V CB 1.343 33.137 31.823 -0.049 0.000 0.988 178 V HN 0.948 nan 8.190 nan 0.000 0.478 179 G N 2.930 111.577 108.800 -0.256 0.000 2.417 179 G HA2 0.696 4.655 3.960 -0.000 0.000 0.320 179 G HA3 0.696 4.655 3.960 -0.000 0.000 0.320 179 G C -0.660 174.115 174.900 -0.209 0.000 1.204 179 G CA -0.267 44.613 45.100 -0.367 0.000 0.923 179 G HN 1.143 nan 8.290 nan 0.000 0.466 180 A N 3.114 125.873 122.820 -0.101 0.000 2.375 180 A HA 0.797 5.117 4.320 -0.000 0.000 0.295 180 A C -0.357 177.205 177.584 -0.038 0.000 1.066 180 A CA -0.554 51.442 52.037 -0.068 0.000 0.722 180 A CB 1.176 20.159 19.000 -0.029 0.000 1.206 180 A HN 0.648 nan 8.150 nan 0.000 0.435 181 M N 1.396 120.956 119.600 -0.067 0.000 2.598 181 M HA 0.487 4.966 4.480 -0.000 0.000 0.317 181 M C -0.408 175.851 176.300 -0.069 0.000 1.179 181 M CA -0.371 54.904 55.300 -0.041 0.000 0.936 181 M CB 2.416 34.973 32.600 -0.072 0.000 1.713 181 M HN 0.786 nan 8.290 nan 0.000 0.460 182 Q N 2.774 122.567 119.800 -0.012 0.000 2.309 182 Q HA 0.500 4.840 4.340 -0.000 0.000 0.270 182 Q C -2.017 173.934 176.000 -0.082 0.000 1.023 182 Q CA -0.741 55.032 55.803 -0.051 0.000 0.758 182 Q CB 1.797 30.573 28.738 0.063 0.000 1.247 182 Q HN 0.646 nan 8.270 nan 0.000 0.455 183 L N 5.318 126.450 121.223 -0.151 0.000 2.262 183 L HA 0.412 4.752 4.340 -0.000 0.000 0.288 183 L C -1.846 174.947 176.870 -0.129 0.000 1.035 183 L CA -0.355 54.395 54.840 -0.150 0.000 0.820 183 L CB 0.758 42.657 42.059 -0.267 0.000 1.204 183 L HN 0.618 nan 8.230 nan 0.000 0.424 184 Y N 3.751 123.848 120.300 -0.337 0.000 2.331 184 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 184 Y C 0.013 175.715 175.900 -0.330 0.000 0.992 184 Y CA -0.299 57.540 58.100 -0.435 0.000 1.121 184 Y CB 1.621 39.538 38.460 -0.905 0.000 1.184 184 Y HN 0.672 nan 8.280 nan 0.000 0.469 185 S N 5.263 120.376 115.700 -0.978 0.000 2.411 185 S HA 0.245 4.715 4.470 -0.000 0.000 0.294 185 S C 0.625 174.489 174.600 -1.226 0.000 1.115 185 S CA -0.624 56.835 58.200 -1.236 0.000 1.071 185 S CB 0.440 62.987 63.200 -1.089 0.000 0.967 185 S HN 0.719 nan 8.310 nan 0.000 0.488 186 V N 4.832 124.240 119.914 -0.843 0.000 2.407 186 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 186 V C 1.947 177.816 176.094 -0.375 0.000 1.055 186 V CA 1.836 63.894 62.300 -0.403 0.000 1.049 186 V CB -0.504 31.216 31.823 -0.171 0.000 0.662 186 V HN 0.735 nan 8.190 nan 0.000 0.455 187 D N 0.176 120.301 120.400 -0.458 0.000 2.120 187 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 187 D C 2.379 178.519 176.300 -0.265 0.000 0.972 187 D CA 1.052 54.875 54.000 -0.295 0.000 0.837 187 D CB -0.225 40.431 40.800 -0.240 0.000 0.989 187 D HN 0.372 nan 8.370 nan 0.000 0.469 188 R N 0.599 120.892 120.500 -0.345 0.000 2.280 188 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 188 R C 0.376 176.525 176.300 -0.252 0.000 1.043 188 R CA 0.143 56.094 56.100 -0.248 0.000 1.006 188 R CB 0.034 30.201 30.300 -0.222 0.000 0.885 188 R HN 0.078 nan 8.270 nan 0.000 0.467 189 K N 0.117 120.298 120.400 -0.365 0.000 3.077 189 K HA -0.164 4.156 4.320 -0.000 0.000 0.264 189 K C -1.212 175.265 176.600 -0.205 0.000 1.008 189 K CA 0.360 56.485 56.287 -0.269 0.000 0.740 189 K CB -1.178 31.282 32.500 -0.068 0.000 1.273 189 K HN 0.007 nan 8.250 nan 0.000 0.477 190 V N -0.282 119.394 119.914 -0.398 0.000 3.049 190 V HA 0.388 4.508 4.120 -0.000 0.000 0.309 190 V C -0.251 175.713 176.094 -0.217 0.000 1.148 190 V CA -0.847 61.345 62.300 -0.179 0.000 0.990 190 V CB 2.487 34.239 31.823 -0.120 0.000 1.039 190 V HN 0.197 nan 8.190 nan 0.000 0.430 191 S N 1.703 117.387 115.700 -0.026 0.000 2.621 191 S HA 0.735 5.205 4.470 -0.000 0.000 0.302 191 S C -0.901 173.666 174.600 -0.055 0.000 1.093 191 S CA -0.575 57.608 58.200 -0.029 0.000 1.017 191 S CB 1.762 64.988 63.200 0.043 0.000 1.077 191 S HN 0.749 nan 8.310 nan 0.000 0.517 192 Q N 1.379 121.117 119.800 -0.103 0.000 2.275 192 Q HA 0.457 4.797 4.340 -0.000 0.000 0.266 192 Q C -2.968 172.907 176.000 -0.208 0.000 1.002 192 Q CA -1.857 53.869 55.803 -0.127 0.000 0.761 192 Q CB 1.538 30.219 28.738 -0.095 0.000 1.255 192 Q HN 0.204 nan 8.270 nan 0.000 0.446 193 P HA 0.273 nan 4.420 nan 0.000 0.271 193 P C -0.907 176.254 177.300 -0.233 0.000 1.216 193 P CA 0.169 63.050 63.100 -0.365 0.000 0.776 193 P CB 0.672 32.046 31.700 -0.544 0.000 0.881 194 I N 0.462 120.902 120.570 -0.218 0.000 2.827 194 I HA 0.264 4.434 4.170 -0.000 0.000 0.298 194 I C -0.025 175.976 176.117 -0.194 0.000 1.235 194 I CA -0.879 60.281 61.300 -0.234 0.000 1.021 194 I CB 2.717 40.487 38.000 -0.384 0.000 1.259 194 I HN 0.250 nan 8.210 nan 0.000 0.427 195 E N 3.578 123.694 120.200 -0.139 0.000 2.130 195 E HA 0.624 4.974 4.350 -0.000 0.000 0.284 195 E C -0.618 175.953 176.600 -0.049 0.000 1.018 195 E CA -0.249 56.094 56.400 -0.095 0.000 0.817 195 E CB 1.297 30.974 29.700 -0.039 0.000 1.078 195 E HN 0.844 nan 8.360 nan 0.000 0.396 196 G N 2.900 111.626 108.800 -0.123 0.000 2.579 196 G HA2 0.180 4.140 3.960 -0.000 0.000 0.292 196 G HA3 0.180 4.140 3.960 -0.000 0.000 0.292 196 G C -0.858 173.969 174.900 -0.122 0.000 1.484 196 G CA -0.547 44.554 45.100 0.002 0.000 0.813 196 G HN 0.633 nan 8.290 nan 0.000 0.515 197 H N -0.192 118.990 119.070 0.187 0.000 2.695 197 H HA 0.630 5.186 4.556 -0.000 0.000 0.267 197 H C 1.106 176.540 175.328 0.178 0.000 0.973 197 H CA 0.941 57.104 56.048 0.192 0.000 1.223 197 H CB 1.351 31.280 29.762 0.278 0.000 1.442 197 H HN 0.779 nan 8.280 nan 0.000 0.478 198 A N 0.453 123.438 122.820 0.274 0.000 2.520 198 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 198 A C -1.358 176.302 177.584 0.126 0.000 1.051 198 A CA 0.001 52.150 52.037 0.187 0.000 0.690 198 A CB 1.270 20.369 19.000 0.166 0.000 1.281 198 A HN 0.307 nan 8.150 nan 0.000 0.402 199 A N 0.276 123.152 122.820 0.092 0.000 2.599 199 A HA 0.989 5.309 4.320 -0.000 0.000 0.290 199 A C -0.510 177.077 177.584 0.005 0.000 1.101 199 A CA 0.076 52.112 52.037 -0.001 0.000 0.674 199 A CB 1.195 20.215 19.000 0.034 0.000 1.277 199 A HN 2.264 nan 8.150 nan 0.000 0.419 200 S N -1.177 114.454 115.700 -0.115 0.000 2.578 200 S HA 0.699 5.169 4.470 -0.000 0.000 0.272 200 S C -1.803 172.701 174.600 -0.159 0.000 1.145 200 S CA -0.481 57.700 58.200 -0.032 0.000 0.835 200 S CB 0.485 63.716 63.200 0.051 0.000 1.104 200 S HN 0.756 nan 8.310 nan 0.000 0.458 201 F N 1.679 121.728 119.950 0.166 0.000 2.450 201 F HA 0.879 5.406 4.527 -0.000 0.000 0.328 201 F C 0.711 176.559 175.800 0.079 0.000 1.068 201 F CA -0.084 58.001 58.000 0.142 0.000 1.007 201 F CB 1.888 40.976 39.000 0.146 0.000 1.251 201 F HN 0.752 nan 8.300 nan 0.000 0.492 202 A N 0.960 123.925 122.820 0.243 0.000 2.589 202 A HA 0.590 4.910 4.320 -0.000 0.000 0.296 202 A C -1.614 176.047 177.584 0.128 0.000 1.062 202 A CA -0.903 51.225 52.037 0.151 0.000 0.686 202 A CB 1.599 20.647 19.000 0.081 0.000 1.282 202 A HN 0.516 nan 8.150 nan 0.000 0.404 203 Q N 0.588 120.460 119.800 0.121 0.000 2.267 203 Q HA 0.560 4.900 4.340 -0.000 0.000 0.255 203 Q C -1.631 174.460 176.000 0.153 0.000 0.923 203 Q CA 0.185 56.053 55.803 0.108 0.000 0.925 203 Q CB 1.600 30.385 28.738 0.078 0.000 1.195 203 Q HN 0.597 nan 8.270 nan 0.000 0.417 204 F N 1.954 121.884 119.950 -0.033 0.000 2.574 204 F HA 0.358 4.885 4.527 -0.000 0.000 0.313 204 F C -0.891 174.910 175.800 0.001 0.000 1.130 204 F CA -1.066 56.914 58.000 -0.034 0.000 0.936 204 F CB 1.548 40.481 39.000 -0.112 0.000 1.219 204 F HN 0.201 nan 8.300 nan 0.000 0.445 205 K N 7.222 127.239 120.400 -0.639 0.000 2.292 205 K HA 0.460 4.780 4.320 -0.000 0.000 0.270 205 K C -0.944 175.287 176.600 -0.614 0.000 1.062 205 K CA -0.256 55.766 56.287 -0.442 0.000 0.916 205 K CB 0.508 32.842 32.500 -0.275 0.000 1.166 205 K HN 0.740 nan 8.250 nan 0.000 0.458 206 M N 3.311 122.780 119.600 -0.219 0.000 2.242 206 M HA 0.109 4.589 4.480 -0.000 0.000 0.344 206 M C 0.393 176.672 176.300 -0.036 0.000 1.140 206 M CA -0.220 55.072 55.300 -0.012 0.000 1.160 206 M CB 0.739 33.468 32.600 0.214 0.000 1.491 206 M HN 0.568 nan 8.290 nan 0.000 0.459 207 E N 1.010 121.205 120.200 -0.008 0.000 2.384 207 E HA 0.359 4.709 4.350 -0.000 0.000 0.266 207 E C 0.837 177.443 176.600 0.010 0.000 1.012 207 E CA 0.128 56.523 56.400 -0.009 0.000 0.901 207 E CB 0.371 30.072 29.700 0.002 0.000 0.967 207 E HN 0.889 nan 8.360 nan 0.000 0.435 208 G N 3.057 111.859 108.800 0.003 0.000 2.241 208 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 208 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 208 G C -0.029 174.880 174.900 0.015 0.000 0.998 208 G CA 0.094 45.200 45.100 0.010 0.000 0.621 208 G HN 0.585 nan 8.290 nan 0.000 0.519 209 N N 0.409 119.119 118.700 0.017 0.000 2.503 209 N HA 0.645 5.385 4.740 -0.000 0.000 0.267 209 N C 1.323 176.841 175.510 0.014 0.000 1.214 209 N CA 0.567 53.632 53.050 0.024 0.000 0.959 209 N CB 1.247 39.758 38.487 0.040 0.000 1.142 209 N HN 0.452 nan 8.380 nan 0.000 0.455 210 A N 1.338 124.170 122.820 0.019 0.000 1.930 210 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 210 A C 0.356 177.948 177.584 0.013 0.000 1.176 210 A CA 1.193 53.239 52.037 0.015 0.000 0.632 210 A CB -0.065 18.946 19.000 0.019 0.000 0.819 210 A HN 0.727 nan 8.150 nan 0.000 0.445 211 E N -0.824 119.388 120.200 0.020 0.000 2.378 211 E HA 0.384 4.734 4.350 -0.000 0.000 0.265 211 E C -1.106 175.507 176.600 0.021 0.000 0.932 211 E CA -0.844 55.568 56.400 0.021 0.000 0.795 211 E CB 1.197 30.916 29.700 0.032 0.000 1.296 211 E HN 0.370 nan 8.360 nan 0.000 0.438 212 E N 0.596 120.807 120.200 0.017 0.000 2.437 212 E HA 0.081 4.431 4.350 -0.000 0.000 0.263 212 E C -0.738 175.899 176.600 0.060 0.000 1.030 212 E CA 0.298 56.713 56.400 0.025 0.000 0.934 212 E CB 0.633 30.348 29.700 0.025 0.000 0.943 212 E HN 0.191 nan 8.360 nan 0.000 0.444 213 S N 1.308 117.063 115.700 0.092 0.000 2.541 213 S HA 0.217 4.687 4.470 -0.000 0.000 0.283 213 S C -0.346 174.293 174.600 0.065 0.000 1.196 213 S CA -0.792 57.467 58.200 0.098 0.000 1.062 213 S CB 1.537 64.828 63.200 0.151 0.000 1.009 213 S HN 0.363 nan 8.310 nan 0.000 0.502 214 T N 3.911 118.485 114.554 0.033 0.000 2.727 214 T HA 0.371 4.721 4.350 -0.000 0.000 0.298 214 T C -0.123 174.553 174.700 -0.040 0.000 0.942 214 T CA -0.310 61.799 62.100 0.015 0.000 0.997 214 T CB -0.218 68.649 68.868 -0.001 0.000 0.917 214 T HN 0.329 nan 8.240 nan 0.000 0.487 215 L N 3.475 124.681 121.223 -0.028 0.000 2.325 215 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 215 L C -0.471 176.445 176.870 0.076 0.000 1.054 215 L CA -1.028 53.745 54.840 -0.112 0.000 0.804 215 L CB 1.095 42.949 42.059 -0.342 0.000 1.200 215 L HN 0.525 nan 8.230 nan 0.000 0.436 216 F N 3.119 122.970 119.950 -0.166 0.000 2.426 216 F HA 0.450 4.977 4.527 0.000 0.000 0.348 216 F C -0.454 175.244 175.800 -0.170 0.000 1.124 216 F CA -1.083 56.756 58.000 -0.268 0.000 1.008 216 F CB 1.193 40.038 39.000 -0.258 0.000 1.139 216 F HN 0.412 nan 8.300 nan 0.000 0.452 217 C N 8.921 127.820 119.300 -0.669 0.000 2.379 217 C HA 0.854 5.314 4.460 -0.000 0.000 0.323 217 C C -1.085 173.512 174.990 -0.656 0.000 1.262 217 C CA -0.638 58.032 59.018 -0.579 0.000 1.581 217 C CB -0.575 26.956 27.740 -0.349 0.000 2.221 217 C HN 0.780 nan 8.230 nan 0.000 0.497 218 F N 4.190 123.740 119.950 -0.666 0.000 2.591 218 F HA 0.846 5.373 4.527 -0.000 0.000 0.309 218 F C -0.489 175.175 175.800 -0.226 0.000 1.098 218 F CA -0.712 57.012 58.000 -0.461 0.000 0.937 218 F CB 0.885 39.569 39.000 -0.526 0.000 1.250 218 F HN 0.782 nan 8.300 nan 0.000 0.447 219 A N 2.939 125.732 122.820 -0.046 0.000 2.340 219 A HA 0.893 5.213 4.320 -0.000 0.000 0.331 219 A C -1.546 176.157 177.584 0.199 0.000 1.140 219 A CA -0.881 51.121 52.037 -0.058 0.000 0.801 219 A CB 1.790 20.740 19.000 -0.082 0.000 1.234 219 A HN 1.509 nan 8.150 nan 0.000 0.469 220 V N 1.695 121.730 119.914 0.201 0.000 3.012 220 V HA 0.707 4.827 4.120 -0.000 0.000 0.307 220 V C -0.861 175.437 176.094 0.340 0.000 1.166 220 V CA -0.773 61.746 62.300 0.365 0.000 0.974 220 V CB 2.133 34.123 31.823 0.279 0.000 1.040 220 V HN 0.988 nan 8.190 nan 0.000 0.428 221 R N 3.563 124.317 120.500 0.423 0.000 2.335 221 R HA 0.669 5.009 4.340 -0.000 0.000 0.302 221 R C 0.012 176.418 176.300 0.177 0.000 1.147 221 R CA 0.341 56.553 56.100 0.187 0.000 1.111 221 R CB 0.853 31.064 30.300 -0.149 0.000 1.122 221 R HN 0.994 nan 8.270 nan 0.000 0.557 222 G N 0.446 109.322 108.800 0.128 0.000 3.122 222 G HA2 0.047 4.007 3.960 -0.000 0.000 0.180 222 G HA3 0.047 4.007 3.960 -0.000 0.000 0.180 222 G C 0.121 175.050 174.900 0.049 0.000 1.279 222 G CA -0.269 44.880 45.100 0.083 0.000 0.987 222 G HN 0.483 nan 8.290 nan 0.000 0.589 223 Q N -0.651 119.173 119.800 0.040 0.000 2.181 223 Q HA -0.100 4.240 4.340 -0.000 0.000 0.205 223 Q C 2.355 178.377 176.000 0.037 0.000 0.980 223 Q CA 1.466 57.287 55.803 0.029 0.000 0.862 223 Q CB -0.153 28.600 28.738 0.025 0.000 0.905 223 Q HN 0.453 nan 8.270 nan 0.000 0.429 224 A N 0.358 123.209 122.820 0.052 0.000 2.302 224 A HA 0.402 4.721 4.320 -0.000 0.000 0.219 224 A C 0.917 178.537 177.584 0.060 0.000 1.243 224 A CA 0.746 52.815 52.037 0.053 0.000 0.856 224 A CB -0.368 18.670 19.000 0.063 0.000 0.893 224 A HN 0.399 nan 8.150 nan 0.000 0.491 225 G N -1.159 107.680 108.800 0.064 0.000 2.632 225 G HA2 0.194 4.154 3.960 -0.000 0.000 0.224 225 G HA3 0.194 4.154 3.960 -0.000 0.000 0.224 225 G C 0.435 175.415 174.900 0.132 0.000 1.341 225 G CA -0.305 44.849 45.100 0.090 0.000 0.880 225 G HN 1.470 nan 8.290 nan 0.000 0.566 226 G N 0.352 109.283 108.800 0.217 0.000 2.354 226 G HA2 0.508 4.468 3.960 -0.000 0.000 0.266 226 G HA3 0.508 4.468 3.960 -0.000 0.000 0.266 226 G C -0.153 174.776 174.900 0.050 0.000 1.242 226 G CA 0.270 45.524 45.100 0.258 0.000 0.923 226 G HN 0.544 nan 8.290 nan 0.000 0.476 227 K N 1.841 122.223 120.400 -0.029 0.000 2.427 227 K HA 0.403 4.723 4.320 -0.000 0.000 0.252 227 K C -1.323 175.012 176.600 -0.441 0.000 0.931 227 K CA -0.924 55.211 56.287 -0.254 0.000 0.793 227 K CB 2.815 35.169 32.500 -0.242 0.000 1.211 227 K HN 0.387 nan 8.250 nan 0.000 0.426 228 L N 3.287 124.129 121.223 -0.634 0.000 2.325 228 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 228 L C -0.924 175.387 176.870 -0.930 0.000 1.004 228 L CA -0.259 54.131 54.840 -0.751 0.000 0.823 228 L CB 0.804 42.393 42.059 -0.783 0.000 1.236 228 L HN 0.508 nan 8.230 nan 0.000 0.415 229 H N 6.362 124.991 119.070 -0.736 0.000 2.466 229 H HA 0.510 5.066 4.556 0.000 0.000 0.338 229 H C -0.887 174.137 175.328 -0.507 0.000 1.091 229 H CA -0.427 55.236 56.048 -0.642 0.000 1.207 229 H CB 1.979 31.200 29.762 -0.902 0.000 1.466 229 H HN 0.527 nan 8.280 nan 0.000 0.493 230 I N 5.330 125.803 120.570 -0.161 0.000 2.411 230 I HA 0.291 4.461 4.170 -0.000 0.000 0.284 230 I C 0.143 176.303 176.117 0.073 0.000 1.012 230 I CA -0.445 60.793 61.300 -0.104 0.000 1.119 230 I CB 1.333 39.287 38.000 -0.076 0.000 1.261 230 I HN 0.406 nan 8.210 nan 0.000 0.448 231 I N 2.456 123.054 120.570 0.046 0.000 2.689 231 I HA 0.567 4.737 4.170 -0.000 0.000 0.299 231 I C -0.589 175.564 176.117 0.059 0.000 1.059 231 I CA -0.617 60.765 61.300 0.137 0.000 1.055 231 I CB 2.342 40.435 38.000 0.156 0.000 1.243 231 I HN 0.581 nan 8.210 nan 0.000 0.425 232 E N 4.811 125.072 120.200 0.101 0.000 2.316 232 E HA 0.382 4.732 4.350 -0.000 0.000 0.275 232 E C -0.870 175.679 176.600 -0.085 0.000 1.029 232 E CA -0.690 55.710 56.400 -0.000 0.000 0.871 232 E CB 1.379 31.135 29.700 0.093 0.000 1.022 232 E HN 0.595 nan 8.360 nan 0.000 0.418 233 V N 1.990 121.752 119.914 -0.254 0.000 2.435 233 V HA 0.887 5.007 4.120 -0.000 0.000 0.290 233 V C 0.440 176.257 176.094 -0.461 0.000 1.030 233 V CA 0.258 62.195 62.300 -0.606 0.000 0.881 233 V CB 0.540 31.573 31.823 -1.317 0.000 0.983 233 V HN 0.998 nan 8.190 nan 0.000 0.445 234 G N 3.265 111.963 108.800 -0.170 0.000 2.710 234 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.668 234 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.668 234 G C -0.279 174.695 174.900 0.122 0.000 1.320 234 G CA -0.354 44.879 45.100 0.222 0.000 0.860 234 G HN 1.261 nan 8.290 nan 0.000 0.538 235 T N 3.400 118.038 114.554 0.140 0.000 2.749 235 T HA 0.554 4.904 4.350 -0.000 0.000 0.295 235 T C -1.839 172.911 174.700 0.084 0.000 0.936 235 T CA -0.285 61.872 62.100 0.095 0.000 1.060 235 T CB 1.103 70.021 68.868 0.082 0.000 0.904 235 T HN 0.573 nan 8.240 nan 0.000 0.500 236 P HA 0.160 nan 4.420 nan 0.000 0.262 236 P C -2.391 174.946 177.300 0.063 0.000 1.182 236 P CA -1.019 62.124 63.100 0.073 0.000 0.761 236 P CB -0.379 31.363 31.700 0.071 0.000 0.795 237 P HA 0.051 nan 4.420 nan 0.000 0.270 237 P C -0.305 177.020 177.300 0.042 0.000 1.223 237 P CA -0.033 63.097 63.100 0.050 0.000 0.785 237 P CB 0.135 31.863 31.700 0.047 0.000 0.923 238 T N 1.677 116.252 114.554 0.035 0.000 2.866 238 T HA 0.292 4.642 4.350 -0.000 0.000 0.293 238 T C 1.401 176.118 174.700 0.028 0.000 1.005 238 T CA 1.627 63.745 62.100 0.029 0.000 1.162 238 T CB -0.601 68.281 68.868 0.024 0.000 0.968 238 T HN 0.830 nan 8.240 nan 0.000 0.530 239 G N 3.601 112.418 108.800 0.028 0.000 2.213 239 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.226 239 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.226 239 G C 0.028 174.948 174.900 0.033 0.000 0.992 239 G CA -0.532 44.584 45.100 0.026 0.000 0.632 239 G HN 0.648 nan 8.290 nan 0.000 0.511 240 N N 1.452 120.177 118.700 0.041 0.000 2.421 240 N HA 0.543 5.283 4.740 -0.000 0.000 0.285 240 N C 0.283 175.827 175.510 0.056 0.000 1.027 240 N CA -0.345 52.737 53.050 0.054 0.000 0.918 240 N CB 1.079 39.605 38.487 0.066 0.000 1.152 240 N HN 0.756 nan 8.380 nan 0.000 0.485 241 Q N 1.690 121.527 119.800 0.061 0.000 2.306 241 Q HA 0.512 4.852 4.340 -0.000 0.000 0.241 241 Q C -2.400 173.654 176.000 0.089 0.000 0.948 241 Q CA -1.729 54.111 55.803 0.061 0.000 0.886 241 Q CB 0.291 29.059 28.738 0.050 0.000 1.227 241 Q HN 0.303 nan 8.270 nan 0.000 0.457 242 P HA -0.015 nan 4.420 nan 0.000 0.272 242 P C -1.115 176.273 177.300 0.148 0.000 1.223 242 P CA -0.220 62.947 63.100 0.112 0.000 0.784 242 P CB 0.323 32.069 31.700 0.076 0.000 0.923 243 F N 4.076 124.052 119.950 0.043 0.000 2.495 243 F HA 0.295 4.822 4.527 -0.000 0.000 0.365 243 F C -1.920 173.882 175.800 0.003 0.000 1.090 243 F CA -2.157 55.863 58.000 0.033 0.000 1.235 243 F CB 0.047 39.060 39.000 0.022 0.000 1.119 243 F HN 0.184 nan 8.300 nan 0.000 0.562 244 P HA 0.106 nan 4.420 nan 0.000 0.276 244 P C -1.136 175.920 177.300 -0.408 0.000 1.264 244 P CA -0.289 62.581 63.100 -0.384 0.000 0.769 244 P CB 0.417 31.906 31.700 -0.352 0.000 0.840 245 K N 3.410 123.755 120.400 -0.092 0.000 2.530 245 K HA 0.004 4.324 4.320 -0.000 0.000 0.280 245 K C 0.554 177.132 176.600 -0.036 0.000 1.004 245 K CA 0.467 56.769 56.287 0.025 0.000 1.071 245 K CB 0.243 32.764 32.500 0.034 0.000 0.876 245 K HN 0.306 nan 8.250 nan 0.000 0.487 246 K N 1.142 121.554 120.400 0.019 0.000 2.221 246 K HA 0.628 4.948 4.320 -0.000 0.000 0.243 246 K C -0.839 175.735 176.600 -0.043 0.000 0.968 246 K CA -0.894 55.370 56.287 -0.038 0.000 0.846 246 K CB 2.161 34.632 32.500 -0.048 0.000 1.141 246 K HN 0.604 nan 8.250 nan 0.000 0.434 247 A N 1.181 123.945 122.820 -0.093 0.000 2.684 247 A HA 0.449 4.769 4.320 -0.000 0.000 0.289 247 A C -0.465 176.992 177.584 -0.211 0.000 1.139 247 A CA -0.678 51.252 52.037 -0.178 0.000 0.793 247 A CB 0.262 19.265 19.000 0.005 0.000 1.334 247 A HN 0.435 nan 8.150 nan 0.000 0.408 248 V N -1.297 118.438 119.914 -0.298 0.000 3.229 248 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 248 V C -0.635 175.334 176.094 -0.208 0.000 1.206 248 V CA -1.009 61.174 62.300 -0.195 0.000 1.051 248 V CB 1.498 33.244 31.823 -0.128 0.000 1.183 248 V HN 0.559 nan 8.190 nan 0.000 0.466 249 D N 0.495 120.844 120.400 -0.086 0.000 2.193 249 D HA 0.570 5.210 4.640 -0.000 0.000 0.249 249 D C -0.733 175.568 176.300 0.003 0.000 1.034 249 D CA -0.048 53.926 54.000 -0.043 0.000 0.902 249 D CB 2.057 42.868 40.800 0.018 0.000 1.182 249 D HN 0.491 nan 8.370 nan 0.000 0.436 250 V N 2.678 122.560 119.914 -0.053 0.000 2.347 250 V HA 0.175 4.295 4.120 -0.000 0.000 0.280 250 V C -0.194 175.812 176.094 -0.146 0.000 1.021 250 V CA -0.907 61.310 62.300 -0.139 0.000 0.847 250 V CB 0.850 32.457 31.823 -0.360 0.000 0.990 250 V HN 0.345 nan 8.190 nan 0.000 0.444 251 F N 6.466 126.281 119.950 -0.225 0.000 2.445 251 F HA 0.583 5.110 4.527 -0.000 0.000 0.359 251 F C -0.587 174.942 175.800 -0.451 0.000 1.101 251 F CA -1.313 56.560 58.000 -0.212 0.000 1.177 251 F CB 0.341 39.270 39.000 -0.118 0.000 1.110 251 F HN 0.352 nan 8.300 nan 0.000 0.522 252 F N 7.515 127.094 119.950 -0.618 0.000 2.361 252 F HA 0.433 4.960 4.527 -0.000 0.000 0.364 252 F C -1.915 173.235 175.800 -1.084 0.000 1.117 252 F CA -2.213 55.316 58.000 -0.785 0.000 1.071 252 F CB 0.578 39.307 39.000 -0.452 0.000 1.188 252 F HN 0.410 nan 8.300 nan 0.000 0.464 253 P HA 0.025 nan 4.420 nan 0.000 0.270 253 P C -1.946 175.197 177.300 -0.262 0.000 1.227 253 P CA -0.951 61.766 63.100 -0.638 0.000 0.788 253 P CB 0.208 31.689 31.700 -0.366 0.000 0.926 254 P HA -0.179 nan 4.420 nan 0.000 0.215 254 P C 1.172 178.458 177.300 -0.024 0.000 1.153 254 P CA 1.510 64.588 63.100 -0.036 0.000 0.853 254 P CB -0.291 31.418 31.700 0.015 0.000 0.788 255 E N 0.289 120.490 120.200 0.002 0.000 2.510 255 E HA -0.064 4.286 4.350 -0.000 0.000 0.202 255 E C 0.600 177.249 176.600 0.082 0.000 1.072 255 E CA 0.790 57.224 56.400 0.057 0.000 0.883 255 E CB -0.725 29.030 29.700 0.093 0.000 0.818 255 E HN 0.158 nan 8.360 nan 0.000 0.548 256 A N 1.593 124.373 122.820 -0.067 0.000 3.154 256 A HA 0.175 4.495 4.320 -0.000 0.000 0.310 256 A C 1.344 178.713 177.584 -0.358 0.000 1.093 256 A CA -0.593 51.273 52.037 -0.284 0.000 1.006 256 A CB 0.081 18.805 19.000 -0.461 0.000 1.084 256 A HN 0.115 nan 8.150 nan 0.000 0.549 257 Q N 0.318 120.041 119.800 -0.129 0.000 2.084 257 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 257 Q C 0.632 176.552 176.000 -0.133 0.000 0.978 257 Q CA 1.205 56.946 55.803 -0.103 0.000 0.844 257 Q CB -0.083 28.651 28.738 -0.006 0.000 0.898 257 Q HN 0.654 nan 8.270 nan 0.000 0.426 258 N N 0.917 119.599 118.700 -0.030 0.000 2.270 258 N HA 0.012 4.752 4.740 -0.000 0.000 0.198 258 N C -0.348 175.166 175.510 0.007 0.000 1.117 258 N CA 0.149 53.229 53.050 0.049 0.000 0.845 258 N CB 0.258 38.886 38.487 0.235 0.000 0.980 258 N HN 0.190 nan 8.380 nan 0.000 0.486 259 D N 0.778 120.889 120.400 -0.482 0.000 2.357 259 D HA 0.257 4.897 4.640 -0.000 0.000 0.242 259 D C -0.245 175.830 176.300 -0.376 0.000 1.153 259 D CA 0.084 53.759 54.000 -0.542 0.000 0.918 259 D CB 0.544 40.823 40.800 -0.868 0.000 1.181 259 D HN 0.109 nan 8.370 nan 0.000 0.435 260 F N -1.783 117.960 119.950 -0.345 0.000 2.770 260 F HA 0.539 5.066 4.527 0.000 0.000 0.313 260 F C -3.072 172.704 175.800 -0.040 0.000 1.154 260 F CA -2.060 55.700 58.000 -0.400 0.000 0.923 260 F CB 0.729 39.349 39.000 -0.634 0.000 1.301 260 F HN 0.047 nan 8.300 nan 0.000 0.449 261 P HA 0.288 nan 4.420 nan 0.000 0.275 261 P C 0.359 177.656 177.300 -0.006 0.000 1.227 261 P CA -0.066 63.069 63.100 0.058 0.000 0.781 261 P CB 1.606 33.414 31.700 0.180 0.000 0.906 262 V N -0.435 119.467 119.914 -0.019 0.000 3.431 262 V HA 0.684 4.804 4.120 -0.000 0.000 0.255 262 V C 0.327 176.483 176.094 0.103 0.000 1.403 262 V CA 0.429 62.745 62.300 0.027 0.000 1.101 262 V CB -0.252 31.533 31.823 -0.064 0.000 0.891 262 V HN 0.517 nan 8.190 nan 0.000 0.446 263 A N 0.817 123.700 122.820 0.104 0.000 2.475 263 A HA 0.912 5.232 4.320 -0.000 0.000 0.301 263 A C -1.049 176.616 177.584 0.135 0.000 1.059 263 A CA -0.488 51.626 52.037 0.128 0.000 0.710 263 A CB 2.254 21.326 19.000 0.121 0.000 1.288 263 A HN 0.462 nan 8.150 nan 0.000 0.408 264 M N 1.633 121.318 119.600 0.142 0.000 2.378 264 M HA 0.484 4.964 4.480 -0.000 0.000 0.289 264 M C -1.881 174.522 176.300 0.172 0.000 1.136 264 M CA -0.423 54.966 55.300 0.149 0.000 0.917 264 M CB 2.064 34.721 32.600 0.094 0.000 1.669 264 M HN 0.753 nan 8.290 nan 0.000 0.461 265 Q N 4.190 124.128 119.800 0.230 0.000 2.421 265 Q HA 0.644 4.984 4.340 -0.000 0.000 0.280 265 Q C -1.487 174.705 176.000 0.320 0.000 1.085 265 Q CA -0.541 55.411 55.803 0.247 0.000 0.807 265 Q CB 3.119 31.992 28.738 0.225 0.000 1.405 265 Q HN 0.822 nan 8.270 nan 0.000 0.419 266 I N 0.609 121.332 120.570 0.255 0.000 2.436 266 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 266 I C 0.025 176.281 176.117 0.232 0.000 1.010 266 I CA -0.692 60.730 61.300 0.203 0.000 1.098 266 I CB 2.159 40.225 38.000 0.110 0.000 1.266 266 I HN 0.382 nan 8.210 nan 0.000 0.434 267 S N 4.681 120.522 115.700 0.236 0.000 2.422 267 S HA 0.163 4.633 4.470 -0.000 0.000 0.283 267 S C 0.874 175.559 174.600 0.141 0.000 1.163 267 S CA -0.254 58.094 58.200 0.247 0.000 1.054 267 S CB 0.261 63.679 63.200 0.363 0.000 0.967 267 S HN 0.649 nan 8.310 nan 0.000 0.499 268 E N 3.402 123.663 120.200 0.101 0.000 2.481 268 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 268 E C 1.664 178.264 176.600 -0.001 0.000 1.047 268 E CA 0.109 56.549 56.400 0.068 0.000 0.867 268 E CB 0.209 29.949 29.700 0.066 0.000 0.858 268 E HN 0.599 nan 8.360 nan 0.000 0.513 269 K N 0.046 120.394 120.400 -0.086 0.000 2.116 269 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 269 K C 1.007 177.435 176.600 -0.288 0.000 1.052 269 K CA 1.075 57.206 56.287 -0.260 0.000 0.952 269 K CB 0.169 32.390 32.500 -0.465 0.000 0.729 269 K HN 0.244 nan 8.250 nan 0.000 0.446 270 H N -0.350 118.758 119.070 0.062 0.000 2.705 270 H HA 0.121 4.677 4.556 -0.000 0.000 0.269 270 H C -0.633 174.730 175.328 0.059 0.000 0.998 270 H CA -0.060 56.018 56.048 0.050 0.000 1.193 270 H CB 0.714 30.499 29.762 0.038 0.000 1.485 270 H HN 0.148 nan 8.280 nan 0.000 0.521 271 D N 1.269 121.768 120.400 0.165 0.000 2.737 271 D HA -0.135 4.505 4.640 -0.000 0.000 0.238 271 D C -0.500 175.860 176.300 0.099 0.000 1.157 271 D CA 0.972 55.076 54.000 0.174 0.000 0.694 271 D CB -1.251 39.729 40.800 0.300 0.000 1.021 271 D HN 0.343 nan 8.370 nan 0.000 0.420 272 V N -3.484 116.444 119.914 0.023 0.000 2.823 272 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 272 V C 0.210 176.174 176.094 -0.217 0.000 1.072 272 V CA -0.984 61.243 62.300 -0.121 0.000 0.937 272 V CB 2.752 34.416 31.823 -0.265 0.000 1.013 272 V HN -0.100 nan 8.190 nan 0.000 0.430 273 V N 3.782 123.594 119.914 -0.170 0.000 2.394 273 V HA 0.491 4.611 4.120 -0.000 0.000 0.282 273 V C -0.436 175.579 176.094 -0.133 0.000 1.031 273 V CA -0.115 62.133 62.300 -0.087 0.000 0.881 273 V CB 0.877 32.705 31.823 0.009 0.000 0.982 273 V HN 0.749 nan 8.190 nan 0.000 0.451 274 F N 5.417 125.454 119.950 0.146 0.000 2.410 274 F HA 0.608 5.135 4.527 -0.000 0.000 0.349 274 F C -0.100 175.792 175.800 0.154 0.000 1.117 274 F CA -0.472 57.620 58.000 0.153 0.000 1.104 274 F CB 1.431 40.510 39.000 0.131 0.000 1.122 274 F HN 0.305 nan 8.300 nan 0.000 0.483 275 L N 5.562 126.996 121.223 0.352 0.000 2.356 275 L HA 0.605 4.945 4.340 -0.000 0.000 0.277 275 L C -1.110 175.913 176.870 0.254 0.000 0.996 275 L CA -0.398 54.589 54.840 0.245 0.000 0.822 275 L CB 1.064 43.229 42.059 0.177 0.000 1.256 275 L HN 0.412 nan 8.230 nan 0.000 0.413 276 I N 3.603 124.288 120.570 0.192 0.000 2.474 276 I HA 0.418 4.588 4.170 -0.000 0.000 0.294 276 I C 0.247 176.444 176.117 0.132 0.000 1.005 276 I CA -0.412 60.997 61.300 0.182 0.000 1.113 276 I CB 2.090 40.176 38.000 0.143 0.000 1.289 276 I HN 0.681 nan 8.210 nan 0.000 0.436 277 T N 1.475 116.129 114.554 0.166 0.000 2.944 277 T HA 0.295 4.645 4.350 -0.000 0.000 0.284 277 T C 0.968 175.695 174.700 0.046 0.000 1.010 277 T CA -0.657 61.504 62.100 0.100 0.000 1.025 277 T CB 2.273 71.273 68.868 0.221 0.000 1.079 277 T HN 0.564 nan 8.240 nan 0.000 0.516 278 K N 0.185 120.480 120.400 -0.175 0.000 2.107 278 K HA -0.210 4.110 4.320 -0.000 0.000 0.211 278 K C 1.424 178.137 176.600 0.187 0.000 1.049 278 K CA 1.957 58.152 56.287 -0.152 0.000 0.927 278 K CB -0.859 31.354 32.500 -0.478 0.000 0.714 278 K HN 0.723 nan 8.250 nan 0.000 0.452 279 Y N -1.011 119.328 120.300 0.065 0.000 2.561 279 Y HA 0.185 4.735 4.550 -0.000 0.000 0.291 279 Y C 1.515 177.478 175.900 0.104 0.000 1.141 279 Y CA 0.627 58.814 58.100 0.144 0.000 1.303 279 Y CB 0.197 38.838 38.460 0.302 0.000 1.015 279 Y HN 0.349 nan 8.280 nan 0.000 0.547 280 G N -1.543 107.411 108.800 0.257 0.000 2.131 280 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.201 280 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.201 280 G C -0.396 174.517 174.900 0.023 0.000 1.000 280 G CA -0.585 44.578 45.100 0.106 0.000 0.680 280 G HN 0.223 nan 8.290 nan 0.000 0.514 281 Y N -0.432 119.924 120.300 0.093 0.000 2.304 281 Y HA 0.672 5.223 4.550 0.000 0.000 0.327 281 Y C 0.935 176.895 175.900 0.100 0.000 1.209 281 Y CA -0.629 57.497 58.100 0.043 0.000 1.299 281 Y CB 1.055 39.532 38.460 0.027 0.000 1.249 281 Y HN 0.264 nan 8.280 nan 0.000 0.519 282 I N 3.207 123.885 120.570 0.180 0.000 2.493 282 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 282 I C -0.891 175.296 176.117 0.117 0.000 0.998 282 I CA -0.576 60.863 61.300 0.233 0.000 1.137 282 I CB 0.950 39.077 38.000 0.211 0.000 1.310 282 I HN 0.633 nan 8.210 nan 0.000 0.445 283 H N 6.732 125.853 119.070 0.085 0.000 2.637 283 H HA 0.439 4.996 4.556 0.000 0.000 0.363 283 H C -1.427 173.871 175.328 -0.050 0.000 1.131 283 H CA -0.901 55.110 56.048 -0.060 0.000 1.183 283 H CB 2.717 32.430 29.762 -0.082 0.000 1.637 283 H HN 0.335 nan 8.280 nan 0.000 0.531 284 L N 3.286 124.445 121.223 -0.107 0.000 2.333 284 L HA 0.349 4.689 4.340 -0.000 0.000 0.280 284 L C -1.570 175.091 176.870 -0.348 0.000 1.004 284 L CA -0.402 54.360 54.840 -0.130 0.000 0.820 284 L CB 0.732 42.770 42.059 -0.034 0.000 1.247 284 L HN 0.481 nan 8.230 nan 0.000 0.416 285 Y N 1.648 121.910 120.300 -0.063 0.000 2.499 285 Y HA 0.367 4.918 4.550 0.000 0.000 0.347 285 Y C -0.358 175.493 175.900 -0.081 0.000 0.987 285 Y CA -1.092 56.973 58.100 -0.059 0.000 1.044 285 Y CB 1.613 40.028 38.460 -0.074 0.000 1.245 285 Y HN 0.570 nan 8.280 nan 0.000 0.461 286 D N 1.719 122.184 120.400 0.110 0.000 2.383 286 D HA 0.037 4.677 4.640 -0.000 0.000 0.252 286 D C 0.648 176.971 176.300 0.039 0.000 1.166 286 D CA -0.049 53.988 54.000 0.061 0.000 0.879 286 D CB 1.214 42.051 40.800 0.062 0.000 1.164 286 D HN 0.533 nan 8.370 nan 0.000 0.462 287 L N 4.064 125.288 121.223 0.001 0.000 2.056 287 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 287 L C 1.942 178.709 176.870 -0.172 0.000 1.078 287 L CA 1.841 56.620 54.840 -0.102 0.000 0.749 287 L CB -0.673 41.320 42.059 -0.110 0.000 0.901 287 L HN 0.742 nan 8.230 nan 0.000 0.433 288 E N -1.109 119.012 120.200 -0.131 0.000 2.031 288 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 288 E C 1.821 178.430 176.600 0.015 0.000 0.994 288 E CA 2.132 58.482 56.400 -0.082 0.000 0.800 288 E CB -0.115 29.694 29.700 0.182 0.000 0.752 288 E HN 0.670 nan 8.360 nan 0.000 0.447 289 T N -3.982 110.582 114.554 0.016 0.000 3.037 289 T HA 0.265 4.615 4.350 -0.000 0.000 0.252 289 T C 1.493 176.186 174.700 -0.012 0.000 1.073 289 T CA 0.608 62.703 62.100 -0.008 0.000 1.091 289 T CB 0.549 69.423 68.868 0.009 0.000 0.935 289 T HN 0.398 nan 8.240 nan 0.000 0.488 290 G N 1.418 110.222 108.800 0.006 0.000 2.143 290 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.249 290 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.249 290 G C 0.120 175.078 174.900 0.098 0.000 0.981 290 G CA 0.179 45.278 45.100 -0.002 0.000 0.665 290 G HN 0.723 nan 8.290 nan 0.000 0.528 291 T N 0.547 115.159 114.554 0.097 0.000 2.851 291 T HA 0.350 4.700 4.350 -0.000 0.000 0.298 291 T C 0.810 175.587 174.700 0.128 0.000 0.977 291 T CA 0.374 62.533 62.100 0.097 0.000 1.126 291 T CB 1.476 70.371 68.868 0.046 0.000 0.916 291 T HN 0.692 nan 8.240 nan 0.000 0.529 292 C N 5.686 125.030 119.300 0.074 0.000 2.555 292 C HA 0.333 4.793 4.460 -0.000 0.000 0.385 292 C C 1.773 176.691 174.990 -0.121 0.000 1.296 292 C CA -0.594 58.297 59.018 -0.212 0.000 1.757 292 C CB -2.156 25.437 27.740 -0.244 0.000 2.445 292 C HN 0.955 nan 8.230 nan 0.000 0.571 293 I N 3.867 124.366 120.570 -0.118 0.000 2.585 293 I HA 0.147 4.317 4.170 -0.000 0.000 0.254 293 I C 0.078 176.276 176.117 0.135 0.000 1.129 293 I CA 0.625 61.943 61.300 0.030 0.000 1.455 293 I CB -0.108 37.904 38.000 0.018 0.000 1.111 293 I HN 0.676 nan 8.210 nan 0.000 0.433 294 Y N 0.820 121.025 120.300 -0.158 0.000 2.565 294 Y HA 0.547 5.097 4.550 -0.000 0.000 0.330 294 Y C -1.230 174.551 175.900 -0.198 0.000 1.150 294 Y CA -1.634 56.384 58.100 -0.136 0.000 1.055 294 Y CB 1.561 39.925 38.460 -0.161 0.000 1.337 294 Y HN -0.097 nan 8.280 nan 0.000 0.457 295 M N 5.645 124.668 119.600 -0.961 0.000 2.365 295 M HA 0.579 5.059 4.480 -0.000 0.000 0.287 295 M C -2.409 173.400 176.300 -0.818 0.000 1.154 295 M CA -0.223 54.609 55.300 -0.780 0.000 0.941 295 M CB 2.072 34.302 32.600 -0.617 0.000 1.704 295 M HN 0.765 nan 8.290 nan 0.000 0.479 296 N N 1.717 120.142 118.700 -0.459 0.000 3.116 296 N HA 0.454 5.194 4.740 -0.000 0.000 0.244 296 N C -2.099 173.293 175.510 -0.196 0.000 1.485 296 N CA -0.644 52.246 53.050 -0.268 0.000 0.884 296 N CB 2.608 40.964 38.487 -0.219 0.000 1.415 296 N HN 0.849 nan 8.380 nan 0.000 0.524 297 R N 1.783 122.087 120.500 -0.327 0.000 2.229 297 R HA 0.396 4.736 4.340 -0.000 0.000 0.332 297 R C 0.974 177.051 176.300 -0.371 0.000 0.989 297 R CA -0.157 55.616 56.100 -0.546 0.000 0.842 297 R CB 0.209 30.023 30.300 -0.810 0.000 1.119 297 R HN 0.651 nan 8.270 nan 0.000 0.456 298 I N -0.564 119.833 120.570 -0.289 0.000 3.854 298 I HA 0.281 4.451 4.170 -0.000 0.000 0.312 298 I C 0.296 176.312 176.117 -0.169 0.000 1.273 298 I CA -0.111 60.990 61.300 -0.330 0.000 1.298 298 I CB 0.855 38.760 38.000 -0.159 0.000 1.071 298 I HN 0.210 nan 8.210 nan 0.000 0.428 299 S N 0.413 116.047 115.700 -0.111 0.000 2.548 299 S HA 0.608 5.078 4.470 -0.000 0.000 0.276 299 S C 0.694 175.259 174.600 -0.059 0.000 1.129 299 S CA -0.178 58.004 58.200 -0.029 0.000 0.931 299 S CB 1.596 64.822 63.200 0.043 0.000 1.068 299 S HN 0.315 nan 8.310 nan 0.000 0.480 300 G N 2.344 111.121 108.800 -0.039 0.000 2.534 300 G HA2 0.137 4.096 3.960 -0.000 0.000 0.217 300 G HA3 0.137 4.096 3.960 -0.000 0.000 0.217 300 G C 0.227 175.112 174.900 -0.025 0.000 1.128 300 G CA 0.457 45.532 45.100 -0.041 0.000 0.784 300 G HN 0.649 nan 8.290 nan 0.000 0.542 301 E N 0.079 120.285 120.200 0.010 0.000 2.277 301 E HA 0.270 4.620 4.350 -0.000 0.000 0.266 301 E C -0.653 175.989 176.600 0.069 0.000 0.901 301 E CA -0.508 55.911 56.400 0.031 0.000 0.782 301 E CB 1.327 31.061 29.700 0.058 0.000 1.228 301 E HN -0.104 nan 8.360 nan 0.000 0.424 302 T N 1.969 116.575 114.554 0.086 0.000 2.849 302 T HA 0.026 4.376 4.350 -0.000 0.000 0.289 302 T C 0.652 175.465 174.700 0.188 0.000 1.010 302 T CA 0.492 62.670 62.100 0.130 0.000 1.161 302 T CB -0.357 68.598 68.868 0.144 0.000 0.989 302 T HN 0.211 nan 8.240 nan 0.000 0.523 303 I N 5.343 125.989 120.570 0.125 0.000 2.322 303 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 303 I C 0.891 177.054 176.117 0.077 0.000 1.060 303 I CA -0.309 61.022 61.300 0.052 0.000 1.309 303 I CB 0.379 38.395 38.000 0.026 0.000 1.415 303 I HN 0.722 nan 8.210 nan 0.000 0.492 304 F N 5.370 125.398 119.950 0.131 0.000 2.704 304 F HA 0.563 5.090 4.527 -0.000 0.000 0.304 304 F C 0.008 175.970 175.800 0.269 0.000 1.094 304 F CA -0.450 57.658 58.000 0.180 0.000 1.275 304 F CB 0.030 39.162 39.000 0.220 0.000 1.073 304 F HN 0.183 nan 8.300 nan 0.000 0.586 305 V N 1.175 120.968 119.914 -0.202 0.000 2.891 305 V HA 0.656 4.776 4.120 -0.000 0.000 0.304 305 V C -0.848 175.206 176.094 -0.067 0.000 1.171 305 V CA 0.213 62.504 62.300 -0.015 0.000 0.943 305 V CB 2.161 33.964 31.823 -0.033 0.000 1.037 305 V HN 0.476 nan 8.190 nan 0.000 0.427 306 T N 3.146 117.723 114.554 0.039 0.000 2.901 306 T HA 0.991 5.341 4.350 -0.000 0.000 0.293 306 T C -0.518 174.212 174.700 0.049 0.000 1.084 306 T CA -0.159 61.952 62.100 0.019 0.000 1.008 306 T CB 2.060 70.954 68.868 0.043 0.000 1.170 306 T HN 1.873 nan 8.240 nan 0.000 0.509 307 A N 1.223 124.054 122.820 0.018 0.000 2.594 307 A HA 0.911 5.231 4.320 -0.000 0.000 0.291 307 A C -3.160 174.445 177.584 0.035 0.000 1.105 307 A CA -1.952 50.111 52.037 0.043 0.000 0.694 307 A CB 0.936 19.952 19.000 0.026 0.000 1.291 307 A HN 0.684 nan 8.150 nan 0.000 0.410 308 P HA 0.159 nan 4.420 nan 0.000 0.268 308 P C -0.862 176.493 177.300 0.092 0.000 1.204 308 P CA 0.450 63.600 63.100 0.084 0.000 0.768 308 P CB 0.183 31.946 31.700 0.104 0.000 0.842 309 H N 3.044 122.087 119.070 -0.044 0.000 3.014 309 H HA 0.113 4.668 4.556 -0.000 0.000 0.266 309 H C 1.062 176.375 175.328 -0.025 0.000 1.455 309 H CA 0.056 56.067 56.048 -0.062 0.000 1.402 309 H CB -0.303 29.405 29.762 -0.090 0.000 1.626 309 H HN 0.441 nan 8.280 nan 0.000 0.520 310 E N 2.823 123.083 120.200 0.100 0.000 2.153 310 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 310 E C 1.698 178.270 176.600 -0.045 0.000 0.988 310 E CA 1.023 57.436 56.400 0.022 0.000 0.811 310 E CB 0.266 29.979 29.700 0.021 0.000 0.746 310 E HN 0.689 nan 8.360 nan 0.000 0.466 311 A N 1.018 123.765 122.820 -0.122 0.000 2.066 311 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 311 A C 2.154 179.641 177.584 -0.161 0.000 1.157 311 A CA 1.560 53.510 52.037 -0.144 0.000 0.670 311 A CB -0.226 18.678 19.000 -0.161 0.000 0.804 311 A HN 0.315 nan 8.150 nan 0.000 0.453 312 T N -5.633 108.786 114.554 -0.225 0.000 3.043 312 T HA 0.504 4.854 4.350 -0.000 0.000 0.272 312 T C 0.827 175.555 174.700 0.048 0.000 0.990 312 T CA 0.959 62.991 62.100 -0.114 0.000 0.897 312 T CB 0.070 68.811 68.868 -0.212 0.000 1.111 312 T HN 1.626 nan 8.240 nan 0.000 0.529 313 A N 0.240 123.084 122.820 0.039 0.000 2.771 313 A HA 0.052 4.372 4.320 -0.000 0.000 0.294 313 A C 1.051 178.788 177.584 0.255 0.000 1.500 313 A CA 1.049 53.170 52.037 0.139 0.000 0.829 313 A CB -2.058 17.013 19.000 0.118 0.000 0.998 313 A HN 1.182 nan 8.150 nan 0.000 0.526 314 G N -1.643 107.223 108.800 0.111 0.000 2.641 314 G HA2 0.633 4.593 3.960 -0.000 0.000 0.239 314 G HA3 0.633 4.593 3.960 -0.000 0.000 0.239 314 G C -0.081 174.671 174.900 -0.246 0.000 1.402 314 G CA -0.156 44.875 45.100 -0.116 0.000 1.046 314 G HN 1.097 nan 8.290 nan 0.000 0.565 315 I N -0.291 119.976 120.570 -0.505 0.000 2.465 315 I HA 0.635 4.805 4.170 -0.000 0.000 0.291 315 I C -1.220 174.799 176.117 -0.164 0.000 1.014 315 I CA -1.024 60.103 61.300 -0.288 0.000 1.093 315 I CB 1.730 39.517 38.000 -0.355 0.000 1.267 315 I HN 0.353 nan 8.210 nan 0.000 0.431 316 I N 6.548 127.039 120.570 -0.131 0.000 2.569 316 I HA 0.797 4.967 4.170 -0.000 0.000 0.296 316 I C -0.347 175.698 176.117 -0.120 0.000 1.028 316 I CA -0.270 60.923 61.300 -0.178 0.000 1.082 316 I CB 1.795 39.567 38.000 -0.380 0.000 1.264 316 I HN 0.692 nan 8.210 nan 0.000 0.429 317 G N 5.248 113.985 108.800 -0.106 0.000 2.708 317 G HA2 0.648 4.608 3.960 -0.000 0.000 0.289 317 G HA3 0.648 4.608 3.960 -0.000 0.000 0.289 317 G C -2.018 172.798 174.900 -0.139 0.000 1.416 317 G CA -0.452 44.583 45.100 -0.109 0.000 0.829 317 G HN 0.425 nan 8.290 nan 0.000 0.480 318 V N 1.411 121.178 119.914 -0.245 0.000 2.588 318 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 318 V C -0.440 175.451 176.094 -0.338 0.000 1.042 318 V CA -1.036 61.100 62.300 -0.274 0.000 0.877 318 V CB 1.507 33.138 31.823 -0.321 0.000 0.996 318 V HN 1.000 nan 8.190 nan 0.000 0.425 319 N N 4.070 122.733 118.700 -0.062 0.000 2.502 319 N HA 0.367 5.107 4.740 -0.000 0.000 0.280 319 N C 0.705 176.412 175.510 0.328 0.000 1.223 319 N CA -0.889 52.226 53.050 0.108 0.000 0.966 319 N CB 0.856 39.404 38.487 0.102 0.000 1.203 319 N HN 0.292 nan 8.380 nan 0.000 0.565 320 R N -0.142 120.569 120.500 0.352 0.000 2.189 320 R HA 0.035 4.375 4.340 -0.000 0.000 0.223 320 R C 0.561 176.966 176.300 0.175 0.000 1.092 320 R CA 0.814 57.089 56.100 0.292 0.000 0.989 320 R CB -0.199 30.209 30.300 0.181 0.000 0.876 320 R HN 0.648 nan 8.270 nan 0.000 0.457 321 K N -0.635 119.848 120.400 0.138 0.000 2.487 321 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 321 K C 0.771 177.430 176.600 0.098 0.000 1.027 321 K CA 0.555 56.899 56.287 0.096 0.000 1.054 321 K CB 0.391 32.934 32.500 0.072 0.000 0.824 321 K HN 0.320 nan 8.250 nan 0.000 0.510 322 G N 1.741 110.620 108.800 0.132 0.000 2.162 322 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 322 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 322 G C -0.223 174.719 174.900 0.070 0.000 0.976 322 G CA -0.004 45.161 45.100 0.108 0.000 0.655 322 G HN 0.401 nan 8.290 nan 0.000 0.533 323 Q N 0.019 119.858 119.800 0.064 0.000 2.297 323 Q HA 0.454 4.794 4.340 -0.000 0.000 0.267 323 Q C 0.126 176.137 176.000 0.018 0.000 1.006 323 Q CA -0.186 55.641 55.803 0.041 0.000 0.896 323 Q CB 1.842 30.613 28.738 0.054 0.000 1.186 323 Q HN 0.200 nan 8.270 nan 0.000 0.392 324 V N 5.646 125.563 119.914 0.005 0.000 2.348 324 V HA 0.299 4.419 4.120 -0.000 0.000 0.270 324 V C -0.082 176.017 176.094 0.008 0.000 1.037 324 V CA -0.311 61.981 62.300 -0.013 0.000 0.872 324 V CB 0.139 31.950 31.823 -0.021 0.000 1.002 324 V HN 0.591 nan 8.190 nan 0.000 0.464 325 L N 4.594 125.809 121.223 -0.013 0.000 2.342 325 L HA 0.830 5.170 4.340 -0.000 0.000 0.271 325 L C 0.127 176.981 176.870 -0.026 0.000 1.008 325 L CA -0.317 54.485 54.840 -0.064 0.000 0.818 325 L CB 2.368 44.433 42.059 0.011 0.000 1.296 325 L HN 0.729 nan 8.230 nan 0.000 0.427 326 S N 0.915 116.570 115.700 -0.075 0.000 2.569 326 S HA 0.848 5.318 4.470 -0.000 0.000 0.280 326 S C -1.080 173.501 174.600 -0.032 0.000 1.111 326 S CA -0.715 57.480 58.200 -0.008 0.000 0.887 326 S CB 2.283 65.606 63.200 0.205 0.000 1.095 326 S HN 0.240 nan 8.310 nan 0.000 0.476 327 V N 1.545 121.437 119.914 -0.036 0.000 2.577 327 V HA 0.666 4.786 4.120 -0.000 0.000 0.303 327 V C -0.004 176.009 176.094 -0.135 0.000 1.042 327 V CA -0.651 61.636 62.300 -0.021 0.000 0.872 327 V CB 0.935 32.775 31.823 0.029 0.000 0.998 327 V HN 1.383 nan 8.190 nan 0.000 0.423 328 C N 2.583 121.876 119.300 -0.010 0.000 2.971 328 C HA 0.855 5.314 4.460 -0.000 0.000 0.310 328 C C -0.014 175.031 174.990 0.092 0.000 1.285 328 C CA -1.061 57.982 59.018 0.041 0.000 1.593 328 C CB 1.094 28.854 27.740 0.033 0.000 2.076 328 C HN 0.565 nan 8.230 nan 0.000 0.472 329 V N 1.694 121.669 119.914 0.101 0.000 2.599 329 V HA 0.103 4.223 4.120 -0.000 0.000 0.300 329 V C 0.631 176.648 176.094 -0.128 0.000 1.034 329 V CA 0.789 63.019 62.300 -0.117 0.000 1.115 329 V CB 0.423 31.936 31.823 -0.517 0.000 0.934 329 V HN 0.958 nan 8.190 nan 0.000 0.485 330 E N 3.802 123.924 120.200 -0.131 0.000 2.029 330 E HA 0.072 4.422 4.350 -0.000 0.000 0.276 330 E C 1.091 177.633 176.600 -0.096 0.000 1.163 330 E CA 0.174 56.514 56.400 -0.099 0.000 0.909 330 E CB 0.328 29.963 29.700 -0.107 0.000 1.046 330 E HN 0.658 nan 8.360 nan 0.000 0.406 331 E N 3.118 123.283 120.200 -0.059 0.000 2.204 331 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 331 E C 0.785 177.383 176.600 -0.003 0.000 0.990 331 E CA 0.799 57.188 56.400 -0.019 0.000 0.821 331 E CB 0.293 30.033 29.700 0.067 0.000 0.750 331 E HN 0.534 nan 8.360 nan 0.000 0.477 332 E N 0.024 120.220 120.200 -0.008 0.000 2.385 332 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 332 E C 0.921 177.520 176.600 -0.001 0.000 1.013 332 E CA 0.412 56.812 56.400 0.000 0.000 0.866 332 E CB -0.074 29.627 29.700 0.001 0.000 0.832 332 E HN 0.363 nan 8.360 nan 0.000 0.500 333 N N 0.103 118.793 118.700 -0.016 0.000 2.227 333 N HA 0.171 4.911 4.740 -0.000 0.000 0.196 333 N C 1.723 177.240 175.510 0.012 0.000 1.142 333 N CA -0.080 52.968 53.050 -0.004 0.000 0.887 333 N CB 0.833 39.304 38.487 -0.027 0.000 1.022 333 N HN 0.024 nan 8.380 nan 0.000 0.500 334 I N 1.444 122.000 120.570 -0.022 0.000 2.202 334 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 334 I C 1.761 177.914 176.117 0.061 0.000 1.091 334 I CA 1.023 62.314 61.300 -0.015 0.000 1.368 334 I CB 0.139 38.092 38.000 -0.078 0.000 1.058 334 I HN -0.033 nan 8.210 nan 0.000 0.410 335 I N 1.750 122.345 120.570 0.043 0.000 2.099 335 I HA -0.174 3.996 4.170 -0.000 0.000 0.239 335 I C -0.080 176.069 176.117 0.053 0.000 1.066 335 I CA 1.844 63.172 61.300 0.048 0.000 1.324 335 I CB -3.324 34.697 38.000 0.035 0.000 1.037 335 I HN 0.177 nan 8.210 nan 0.000 0.401 336 P HA -0.241 nan 4.420 nan 0.000 0.216 336 P C 1.991 179.325 177.300 0.058 0.000 1.154 336 P CA 1.677 64.804 63.100 0.044 0.000 0.865 336 P CB -0.259 31.469 31.700 0.046 0.000 0.789 337 Y N -0.361 119.923 120.300 -0.026 0.000 2.263 337 Y HA -0.106 4.443 4.550 -0.000 0.000 0.292 337 Y C 2.092 177.981 175.900 -0.018 0.000 1.130 337 Y CA 1.263 59.346 58.100 -0.027 0.000 1.179 337 Y CB -0.626 37.805 38.460 -0.047 0.000 0.998 337 Y HN -0.172 nan 8.280 nan 0.000 0.532 338 I N -0.851 119.787 120.570 0.114 0.000 2.163 338 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 338 I C 2.251 178.344 176.117 -0.039 0.000 1.081 338 I CA 1.643 62.964 61.300 0.035 0.000 1.353 338 I CB -0.778 37.265 38.000 0.073 0.000 1.054 338 I HN 0.161 nan 8.210 nan 0.000 0.407 339 T N 1.184 115.726 114.554 -0.020 0.000 2.570 339 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 339 T C 1.687 176.345 174.700 -0.070 0.000 1.071 339 T CA 2.010 64.090 62.100 -0.033 0.000 1.172 339 T CB -0.274 68.585 68.868 -0.015 0.000 0.864 339 T HN 0.296 nan 8.240 nan 0.000 0.421 340 N N 0.120 118.764 118.700 -0.092 0.000 2.278 340 N HA 0.067 4.807 4.740 -0.000 0.000 0.181 340 N C 2.013 177.417 175.510 -0.176 0.000 1.023 340 N CA 0.617 53.603 53.050 -0.106 0.000 0.862 340 N CB -0.497 37.946 38.487 -0.074 0.000 1.003 340 N HN 0.202 nan 8.380 nan 0.000 0.431 341 V N 1.382 121.100 119.914 -0.326 0.000 2.446 341 V HA 0.037 4.157 4.120 -0.000 0.000 0.244 341 V C 2.300 178.174 176.094 -0.368 0.000 1.039 341 V CA 0.855 62.892 62.300 -0.438 0.000 1.045 341 V CB -0.311 31.001 31.823 -0.851 0.000 0.681 341 V HN 0.142 nan 8.190 nan 0.000 0.459 342 L N -0.546 120.452 121.223 -0.375 0.000 2.240 342 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 342 L C 0.946 177.745 176.870 -0.118 0.000 1.106 342 L CA 0.765 55.489 54.840 -0.193 0.000 0.793 342 L CB -0.259 41.734 42.059 -0.111 0.000 0.927 342 L HN 0.485 nan 8.230 nan 0.000 0.446 343 Q N -0.020 119.712 119.800 -0.113 0.000 2.470 343 Q HA -0.220 4.120 4.340 -0.000 0.000 0.290 343 Q C -0.262 175.707 176.000 -0.052 0.000 1.353 343 Q CA 0.315 56.074 55.803 -0.074 0.000 0.787 343 Q CB -2.098 26.599 28.738 -0.068 0.000 1.158 343 Q HN 0.342 nan 8.270 nan 0.000 0.426 344 N N -0.033 118.641 118.700 -0.044 0.000 2.765 344 N HA 0.245 4.985 4.740 -0.000 0.000 0.277 344 N C -2.328 173.174 175.510 -0.014 0.000 1.750 344 N CA -1.885 51.151 53.050 -0.024 0.000 0.827 344 N CB 1.093 39.570 38.487 -0.017 0.000 1.200 344 N HN -0.065 nan 8.380 nan 0.000 0.494 345 P HA -0.013 nan 4.420 nan 0.000 0.222 345 P C 0.691 177.992 177.300 0.001 0.000 1.147 345 P CA 0.848 63.944 63.100 -0.007 0.000 0.790 345 P CB 0.610 32.303 31.700 -0.011 0.000 0.780 346 D N -0.657 119.743 120.400 0.000 0.000 2.084 346 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 346 D C 1.881 178.190 176.300 0.015 0.000 0.985 346 D CA 0.934 54.938 54.000 0.006 0.000 0.826 346 D CB -0.802 39.999 40.800 0.002 0.000 0.978 346 D HN 0.031 nan 8.370 nan 0.000 0.456 347 L N 1.276 122.509 121.223 0.016 0.000 2.012 347 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 347 L C 2.171 179.061 176.870 0.034 0.000 1.073 347 L CA 1.910 56.767 54.840 0.028 0.000 0.748 347 L CB -0.944 41.132 42.059 0.027 0.000 0.891 347 L HN -0.026 nan 8.230 nan 0.000 0.431 348 A N -0.774 122.062 122.820 0.027 0.000 1.902 348 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 348 A C 2.306 179.907 177.584 0.029 0.000 1.181 348 A CA 1.909 53.964 52.037 0.029 0.000 0.623 348 A CB -0.864 18.149 19.000 0.021 0.000 0.818 348 A HN 0.500 nan 8.150 nan 0.000 0.443 349 L N -1.313 119.923 121.223 0.022 0.000 2.012 349 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 349 L C 2.799 179.686 176.870 0.029 0.000 1.073 349 L CA 1.822 56.675 54.840 0.021 0.000 0.748 349 L CB -0.377 41.691 42.059 0.015 0.000 0.891 349 L HN 0.384 nan 8.230 nan 0.000 0.431 350 R N 0.006 120.526 120.500 0.034 0.000 2.096 350 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 350 R C 2.193 178.528 176.300 0.057 0.000 1.127 350 R CA 1.656 57.784 56.100 0.046 0.000 0.968 350 R CB -0.216 30.116 30.300 0.053 0.000 0.861 350 R HN 0.252 nan 8.270 nan 0.000 0.440 351 M N -0.828 118.807 119.600 0.059 0.000 2.123 351 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 351 M C 2.310 178.643 176.300 0.055 0.000 1.069 351 M CA 1.680 57.021 55.300 0.068 0.000 1.133 351 M CB -0.349 32.293 32.600 0.069 0.000 1.356 351 M HN 0.293 nan 8.290 nan 0.000 0.415 352 A N 0.194 123.040 122.820 0.044 0.000 1.859 352 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 352 A C 2.245 179.846 177.584 0.028 0.000 1.198 352 A CA 2.192 54.249 52.037 0.034 0.000 0.629 352 A CB -1.281 17.735 19.000 0.027 0.000 0.830 352 A HN 0.297 nan 8.150 nan 0.000 0.446 353 V N -0.021 119.909 119.914 0.027 0.000 2.392 353 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 353 V C 2.601 178.705 176.094 0.017 0.000 1.059 353 V CA 2.318 64.630 62.300 0.020 0.000 1.051 353 V CB -0.816 31.019 31.823 0.021 0.000 0.658 353 V HN 0.529 nan 8.190 nan 0.000 0.455 354 R N -0.327 120.187 120.500 0.024 0.000 2.235 354 R HA -0.005 4.335 4.340 -0.000 0.000 0.213 354 R C 1.028 177.330 176.300 0.003 0.000 1.059 354 R CA 0.123 56.229 56.100 0.010 0.000 0.997 354 R CB -0.192 30.123 30.300 0.024 0.000 0.884 354 R HN 0.537 nan 8.270 nan 0.000 0.462 355 N N 0.000 118.710 118.700 0.017 0.000 1.763 355 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 355 N CA 0.000 53.058 53.050 0.014 0.000 0.885 355 N CB 0.000 38.504 38.487 0.029 0.000 1.341 355 N HN 0.000 nan 8.380 nan 0.000 0.667