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 1dm3_1_B DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLXGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EANEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGHPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.611 174.600 0.019 0.000 1.055 4 S CA 0.000 58.212 58.200 0.021 0.000 1.107 4 S CB 0.000 63.214 63.200 0.023 0.000 0.593 5 I N 3.458 124.040 120.570 0.019 0.000 2.377 5 I HA 0.587 4.777 4.170 0.033 0.000 0.293 5 I C 0.002 176.125 176.117 0.011 0.000 0.987 5 I CA -1.039 60.269 61.300 0.013 0.000 1.185 5 I CB 0.933 38.939 38.000 0.010 0.000 1.341 5 I HN 0.454 nan 8.210 nan 0.000 0.455 6 V N 4.290 124.207 119.914 0.005 0.000 3.019 6 V HA 0.662 4.802 4.120 0.033 0.000 0.317 6 V C -0.179 175.909 176.094 -0.010 0.000 1.094 6 V CA -0.860 61.441 62.300 0.001 0.000 1.000 6 V CB 2.240 34.064 31.823 0.001 0.000 1.060 6 V HN 0.448 nan 8.190 nan 0.000 0.443 7 I N 2.596 123.155 120.570 -0.018 0.000 2.310 7 I HA 0.460 4.650 4.170 0.033 0.000 0.287 7 I C 1.424 177.519 176.117 -0.036 0.000 1.073 7 I CA -0.045 61.236 61.300 -0.031 0.000 1.216 7 I CB 1.269 39.242 38.000 -0.044 0.000 1.415 7 I HN 0.900 nan 8.210 nan 0.000 0.480 8 A N 4.584 127.390 122.820 -0.022 0.000 1.930 8 A HA -0.009 4.331 4.320 0.033 0.000 0.217 8 A C 1.048 178.621 177.584 -0.019 0.000 1.175 8 A CA 1.504 53.531 52.037 -0.016 0.000 0.627 8 A CB -0.113 18.885 19.000 -0.004 0.000 0.815 8 A HN 0.682 nan 8.150 nan 0.000 0.443 9 S N -3.766 111.926 115.700 -0.014 0.000 2.615 9 S HA 0.754 5.243 4.470 0.033 0.000 0.269 9 S C -0.780 173.836 174.600 0.026 0.000 1.161 9 S CA -0.118 58.088 58.200 0.010 0.000 0.817 9 S CB 1.128 64.358 63.200 0.051 0.000 1.131 9 S HN 1.757 nan 8.310 nan 0.000 0.467 10 A N 0.021 122.911 122.820 0.116 0.000 2.604 10 A HA 1.015 5.355 4.320 0.033 0.000 0.295 10 A C -0.730 177.049 177.584 0.325 0.000 1.067 10 A CA -0.393 51.746 52.037 0.169 0.000 0.683 10 A CB 0.891 19.968 19.000 0.129 0.000 1.281 10 A HN 2.372 nan 8.150 nan 0.000 0.407 11 A N 0.805 123.747 122.820 0.203 0.000 2.612 11 A HA 0.952 5.292 4.320 0.033 0.000 0.293 11 A C -0.696 176.938 177.584 0.083 0.000 1.075 11 A CA -0.295 51.826 52.037 0.140 0.000 0.680 11 A CB 1.362 20.410 19.000 0.080 0.000 1.279 11 A HN 1.857 nan 8.150 nan 0.000 0.411 12 R N -0.476 120.050 120.500 0.044 0.000 2.739 12 R HA 0.782 5.141 4.340 0.033 0.000 0.271 12 R C -0.490 175.818 176.300 0.014 0.000 1.010 12 R CA -0.176 55.937 56.100 0.022 0.000 0.897 12 R CB 1.251 31.563 30.300 0.020 0.000 1.236 12 R HN 0.840 nan 8.270 nan 0.000 0.466 13 T N -0.776 113.780 114.554 0.003 0.000 2.874 13 T HA 0.599 4.968 4.350 0.033 0.000 0.281 13 T C 0.796 175.538 174.700 0.070 0.000 0.994 13 T CA -0.448 61.675 62.100 0.038 0.000 1.015 13 T CB 1.238 70.068 68.868 -0.064 0.000 1.028 13 T HN 0.774 nan 8.240 nan 0.000 0.523 14 A N 1.311 124.217 122.820 0.143 0.000 2.492 14 A HA 0.472 4.812 4.320 0.033 0.000 0.236 14 A C 0.337 178.026 177.584 0.175 0.000 1.078 14 A CA -0.640 51.463 52.037 0.109 0.000 0.773 14 A CB -0.202 18.873 19.000 0.125 0.000 1.023 14 A HN 0.854 nan 8.150 nan 0.000 0.504 15 V N 2.024 121.981 119.914 0.071 0.000 2.406 15 V HA 0.465 4.604 4.120 0.033 0.000 0.272 15 V C 1.166 177.277 176.094 0.029 0.000 1.043 15 V CA 0.143 62.488 62.300 0.075 0.000 0.915 15 V CB 0.640 32.473 31.823 0.017 0.000 0.988 15 V HN 1.098 nan 8.190 nan 0.000 0.466 16 G N 3.547 112.368 108.800 0.036 0.000 2.476 16 G HA2 0.419 4.399 3.960 0.033 0.000 0.269 16 G HA3 0.419 4.399 3.960 0.033 0.000 0.269 16 G C 0.031 174.881 174.900 -0.084 0.000 1.195 16 G CA -0.264 44.719 45.100 -0.195 0.000 0.843 16 G HN 0.639 nan 8.290 nan 0.000 0.545 17 S N -0.359 115.291 115.700 -0.082 0.000 2.617 17 S HA 0.333 4.822 4.470 0.033 0.000 0.269 17 S C -0.221 174.392 174.600 0.022 0.000 1.292 17 S CA -0.425 57.760 58.200 -0.025 0.000 1.010 17 S CB 0.855 64.100 63.200 0.075 0.000 0.944 17 S HN 0.427 nan 8.310 nan 0.000 0.536 18 F N 3.468 123.345 119.950 -0.122 0.000 2.578 18 F HA 0.077 4.623 4.527 0.031 0.000 0.381 18 F C 1.020 176.800 175.800 -0.034 0.000 1.069 18 F CA -0.296 57.660 58.000 -0.074 0.000 1.231 18 F CB -0.594 38.365 39.000 -0.067 0.000 1.086 18 F HN 0.619 nan 8.300 nan 0.000 0.564 19 N N 2.877 121.317 118.700 -0.433 0.000 2.721 19 N HA -0.198 4.562 4.740 0.033 0.000 0.249 19 N C 0.273 175.686 175.510 -0.161 0.000 1.072 19 N CA 0.914 53.750 53.050 -0.356 0.000 0.710 19 N CB -1.347 36.853 38.487 -0.479 0.000 0.993 19 N HN 0.826 nan 8.380 nan 0.000 0.547 20 G N -0.349 108.384 108.800 -0.113 0.000 3.271 20 G HA2 0.612 4.592 3.960 0.033 0.000 0.174 20 G HA3 0.612 4.592 3.960 0.033 0.000 0.174 20 G C 1.074 175.890 174.900 -0.140 0.000 1.385 20 G CA 0.357 45.394 45.100 -0.105 0.000 0.979 20 G HN 0.269 nan 8.290 nan 0.000 0.610 21 A N -0.705 121.961 122.820 -0.258 0.000 1.978 21 A HA 0.096 4.436 4.320 0.033 0.000 0.220 21 A C 1.513 178.972 177.584 -0.209 0.000 1.170 21 A CA 1.465 53.303 52.037 -0.331 0.000 0.636 21 A CB -0.477 18.153 19.000 -0.616 0.000 0.810 21 A HN 0.350 nan 8.150 nan 0.000 0.448 22 F N -0.857 119.065 119.950 -0.047 0.000 2.684 22 F HA 0.492 5.042 4.527 0.038 0.000 0.298 22 F C 1.990 177.739 175.800 -0.086 0.000 1.120 22 F CA -0.860 57.088 58.000 -0.086 0.000 1.332 22 F CB -0.994 37.904 39.000 -0.168 0.000 0.986 22 F HN 0.213 nan 8.300 nan 0.000 0.524 23 A N 0.521 123.368 122.820 0.045 0.000 1.997 23 A HA -0.227 4.113 4.320 0.033 0.000 0.221 23 A C 1.680 179.256 177.584 -0.014 0.000 1.172 23 A CA 1.955 53.973 52.037 -0.031 0.000 0.645 23 A CB -0.406 18.552 19.000 -0.070 0.000 0.813 23 A HN 0.403 nan 8.150 nan 0.000 0.454 24 N N -0.589 118.125 118.700 0.024 0.000 2.433 24 N HA 0.096 4.856 4.740 0.033 0.000 0.270 24 N C -1.068 174.454 175.510 0.021 0.000 1.354 24 N CA 0.078 53.137 53.050 0.015 0.000 0.889 24 N CB 0.949 39.446 38.487 0.015 0.000 1.285 24 N HN 0.177 nan 8.380 nan 0.000 0.503 25 T N 2.488 117.049 114.554 0.012 0.000 2.770 25 T HA 0.333 4.703 4.350 0.033 0.000 0.297 25 T C -2.488 172.134 174.700 -0.130 0.000 0.997 25 T CA -1.307 60.760 62.100 -0.054 0.000 0.949 25 T CB 1.931 70.725 68.868 -0.124 0.000 0.941 25 T HN -0.016 nan 8.240 nan 0.000 0.457 26 P HA 0.140 nan 4.420 nan 0.000 0.267 26 P C 0.622 177.778 177.300 -0.240 0.000 1.200 26 P CA -0.174 62.843 63.100 -0.138 0.000 0.772 26 P CB 0.507 32.138 31.700 -0.116 0.000 0.855 27 A N 3.258 125.990 122.820 -0.146 0.000 1.940 27 A HA -0.239 4.101 4.320 0.033 0.000 0.219 27 A C 1.933 179.414 177.584 -0.172 0.000 1.176 27 A CA 1.731 53.669 52.037 -0.165 0.000 0.631 27 A CB -1.621 17.334 19.000 -0.075 0.000 0.814 27 A HN 0.810 nan 8.150 nan 0.000 0.446 28 H N -0.868 118.154 119.070 -0.079 0.000 2.491 28 H HA -0.006 4.568 4.556 0.029 0.000 0.290 28 H C 1.463 176.766 175.328 -0.042 0.000 1.050 28 H CA 1.401 57.415 56.048 -0.056 0.000 1.309 28 H CB -0.323 29.419 29.762 -0.032 0.000 1.392 28 H HN 0.635 nan 8.280 nan 0.000 0.554 29 E N 0.912 120.778 120.200 -0.556 0.000 2.072 29 E HA -0.033 4.336 4.350 0.033 0.000 0.190 29 E C 2.616 179.177 176.600 -0.064 0.000 0.982 29 E CA 0.802 57.066 56.400 -0.228 0.000 0.803 29 E CB 0.172 29.779 29.700 -0.155 0.000 0.755 29 E HN 0.427 nan 8.360 nan 0.000 0.453 30 L N 0.239 121.249 121.223 -0.355 0.000 2.017 30 L HA -0.101 4.258 4.340 0.033 0.000 0.208 30 L C 2.627 179.389 176.870 -0.180 0.000 1.073 30 L CA 1.271 55.820 54.840 -0.485 0.000 0.745 30 L CB -0.845 40.784 42.059 -0.717 0.000 0.894 30 L HN 0.229 nan 8.230 nan 0.000 0.432 31 G N -0.152 108.568 108.800 -0.134 0.000 2.440 31 G HA2 -0.271 3.708 3.960 0.033 0.000 0.218 31 G HA3 -0.271 3.708 3.960 0.033 0.000 0.218 31 G C 1.797 176.690 174.900 -0.012 0.000 1.154 31 G CA 0.900 45.964 45.100 -0.061 0.000 0.767 31 G HN 0.465 nan 8.290 nan 0.000 0.552 32 A N 0.142 122.974 122.820 0.019 0.000 1.908 32 A HA -0.058 4.282 4.320 0.033 0.000 0.218 32 A C 2.523 180.133 177.584 0.043 0.000 1.181 32 A CA 2.541 54.603 52.037 0.042 0.000 0.627 32 A CB -0.934 18.105 19.000 0.065 0.000 0.818 32 A HN 0.314 nan 8.150 nan 0.000 0.445 33 T N -0.761 113.837 114.554 0.073 0.000 2.821 33 T HA -0.064 4.305 4.350 0.033 0.000 0.267 33 T C 1.832 176.562 174.700 0.050 0.000 1.046 33 T CA 1.422 63.569 62.100 0.078 0.000 1.139 33 T CB -0.251 68.731 68.868 0.190 0.000 0.871 33 T HN 0.151 nan 8.240 nan 0.000 0.454 34 V N 1.210 121.143 119.914 0.031 0.000 2.453 34 V HA -0.047 4.093 4.120 0.033 0.000 0.247 34 V C 2.294 178.397 176.094 0.015 0.000 1.048 34 V CA 1.162 63.473 62.300 0.018 0.000 1.049 34 V CB -0.492 31.328 31.823 -0.006 0.000 0.672 34 V HN 0.483 nan 8.190 nan 0.000 0.457 35 I N -0.151 120.424 120.570 0.008 0.000 2.286 35 I HA -0.202 3.987 4.170 0.033 0.000 0.248 35 I C 2.482 178.607 176.117 0.012 0.000 1.115 35 I CA 1.453 62.756 61.300 0.005 0.000 1.392 35 I CB -0.347 37.653 38.000 -0.000 0.000 1.065 35 I HN 0.232 nan 8.210 nan 0.000 0.418 36 S N 0.635 116.345 115.700 0.016 0.000 2.423 36 S HA -0.101 4.389 4.470 0.033 0.000 0.231 36 S C 2.200 176.811 174.600 0.020 0.000 1.014 36 S CA 1.163 59.372 58.200 0.015 0.000 0.965 36 S CB -0.227 62.980 63.200 0.012 0.000 0.785 36 S HN 0.540 nan 8.310 nan 0.000 0.495 37 A N 1.486 124.321 122.820 0.026 0.000 1.897 37 A HA -0.025 4.315 4.320 0.033 0.000 0.215 37 A C 2.437 180.047 177.584 0.043 0.000 1.181 37 A CA 1.498 53.555 52.037 0.033 0.000 0.620 37 A CB -1.017 18.006 19.000 0.037 0.000 0.821 37 A HN 0.525 nan 8.150 nan 0.000 0.443 38 V N -2.211 117.729 119.914 0.042 0.000 2.407 38 V HA -0.184 3.955 4.120 0.033 0.000 0.248 38 V C 2.152 178.268 176.094 0.035 0.000 1.055 38 V CA 1.914 64.242 62.300 0.046 0.000 1.049 38 V CB -0.924 30.922 31.823 0.039 0.000 0.662 38 V HN 0.251 nan 8.190 nan 0.000 0.455 39 L N 0.506 121.744 121.223 0.025 0.000 1.994 39 L HA -0.056 4.303 4.340 0.033 0.000 0.208 39 L C 2.793 179.676 176.870 0.022 0.000 1.071 39 L CA 2.258 57.110 54.840 0.019 0.000 0.745 39 L CB -1.519 40.549 42.059 0.014 0.000 0.892 39 L HN 0.489 nan 8.230 nan 0.000 0.431 40 E N -0.114 120.100 120.200 0.024 0.000 2.085 40 E HA -0.235 4.134 4.350 0.033 0.000 0.194 40 E C 2.356 178.975 176.600 0.032 0.000 0.994 40 E CA 1.177 57.591 56.400 0.024 0.000 0.801 40 E CB 0.083 29.796 29.700 0.022 0.000 0.743 40 E HN 0.385 nan 8.360 nan 0.000 0.453 41 R N -0.329 120.198 120.500 0.045 0.000 2.096 41 R HA -0.056 4.304 4.340 0.033 0.000 0.235 41 R C 2.118 178.449 176.300 0.052 0.000 1.127 41 R CA 1.309 57.446 56.100 0.062 0.000 0.968 41 R CB -0.140 30.218 30.300 0.097 0.000 0.861 41 R HN 0.080 nan 8.270 nan 0.000 0.440 42 A N -0.441 122.402 122.820 0.039 0.000 2.275 42 A HA 0.272 4.611 4.320 0.033 0.000 0.212 42 A C 1.243 178.841 177.584 0.022 0.000 1.201 42 A CA 0.529 52.583 52.037 0.028 0.000 0.843 42 A CB 0.111 19.124 19.000 0.022 0.000 0.873 42 A HN 0.400 nan 8.150 nan 0.000 0.492 43 G N -0.961 107.852 108.800 0.022 0.000 2.176 43 G HA2 -0.177 3.802 3.960 0.033 0.000 0.252 43 G HA3 -0.177 3.802 3.960 0.033 0.000 0.252 43 G C 0.022 174.930 174.900 0.014 0.000 1.024 43 G CA 0.330 45.440 45.100 0.017 0.000 0.755 43 G HN 0.834 nan 8.290 nan 0.000 0.507 44 V N 0.360 120.283 119.914 0.014 0.000 2.435 44 V HA 0.804 4.943 4.120 0.033 0.000 0.290 44 V C 0.768 176.868 176.094 0.011 0.000 1.030 44 V CA -0.345 61.962 62.300 0.012 0.000 0.881 44 V CB 1.567 33.396 31.823 0.011 0.000 0.983 44 V HN 1.016 nan 8.190 nan 0.000 0.445 45 A N 3.535 126.360 122.820 0.009 0.000 2.302 45 A HA 0.735 5.074 4.320 0.033 0.000 0.285 45 A C 1.410 178.999 177.584 0.008 0.000 1.105 45 A CA 0.213 52.255 52.037 0.008 0.000 0.816 45 A CB 0.908 19.912 19.000 0.008 0.000 1.067 45 A HN 1.275 nan 8.150 nan 0.000 0.489 46 A N 1.364 124.188 122.820 0.008 0.000 2.019 46 A HA 0.077 4.417 4.320 0.033 0.000 0.219 46 A C 2.058 179.647 177.584 0.008 0.000 1.164 46 A CA 2.061 54.102 52.037 0.007 0.000 0.644 46 A CB -1.059 17.945 19.000 0.007 0.000 0.805 46 A HN 1.470 nan 8.150 nan 0.000 0.449 47 G N -0.385 108.420 108.800 0.007 0.000 2.498 47 G HA2 -0.135 3.845 3.960 0.033 0.000 0.219 47 G HA3 -0.135 3.845 3.960 0.033 0.000 0.219 47 G C 1.170 176.075 174.900 0.008 0.000 1.119 47 G CA 0.870 45.975 45.100 0.008 0.000 0.766 47 G HN 0.732 nan 8.290 nan 0.000 0.552 48 E N -0.370 119.835 120.200 0.008 0.000 2.479 48 E HA 0.153 4.523 4.350 0.033 0.000 0.193 48 E C 0.180 176.785 176.600 0.009 0.000 1.049 48 E CA -0.414 55.992 56.400 0.009 0.000 0.870 48 E CB 0.788 30.493 29.700 0.008 0.000 0.944 48 E HN 0.176 nan 8.360 nan 0.000 0.492 49 V N 2.234 122.153 119.914 0.009 0.000 2.637 49 V HA -0.036 4.104 4.120 0.033 0.000 0.296 49 V C 0.825 176.927 176.094 0.013 0.000 1.046 49 V CA 0.436 62.741 62.300 0.008 0.000 1.066 49 V CB 1.122 32.947 31.823 0.004 0.000 0.968 49 V HN 0.199 nan 8.190 nan 0.000 0.483 50 N N 2.516 121.227 118.700 0.017 0.000 2.368 50 N HA 0.104 4.864 4.740 0.033 0.000 0.178 50 N C 0.334 175.868 175.510 0.039 0.000 1.021 50 N CA 0.251 53.318 53.050 0.027 0.000 0.875 50 N CB 0.543 39.048 38.487 0.029 0.000 1.020 50 N HN 0.808 nan 8.380 nan 0.000 0.433 51 E N 0.025 120.246 120.200 0.036 0.000 2.372 51 E HA 0.348 4.718 4.350 0.033 0.000 0.279 51 E C -1.869 174.727 176.600 -0.008 0.000 0.946 51 E CA -0.572 55.859 56.400 0.052 0.000 0.769 51 E CB 2.005 31.780 29.700 0.126 0.000 1.230 51 E HN -0.270 nan 8.360 nan 0.000 0.442 52 V N 4.949 124.840 119.914 -0.039 0.000 2.357 52 V HA 0.419 4.558 4.120 0.033 0.000 0.284 52 V C -0.240 175.677 176.094 -0.294 0.000 1.018 52 V CA -0.485 61.744 62.300 -0.118 0.000 0.841 52 V CB 1.125 32.902 31.823 -0.077 0.000 0.991 52 V HN 0.551 nan 8.190 nan 0.000 0.437 53 I N 6.712 127.032 120.570 -0.417 0.000 2.359 53 I HA 0.452 4.642 4.170 0.033 0.000 0.284 53 I C -0.750 175.071 176.117 -0.493 0.000 1.018 53 I CA -0.242 60.603 61.300 -0.759 0.000 1.173 53 I CB 1.171 38.642 38.000 -0.882 0.000 1.326 53 I HN 0.346 nan 8.210 nan 0.000 0.462 54 L N 5.774 126.743 121.223 -0.422 0.000 2.343 54 L HA 0.522 4.882 4.340 0.033 0.000 0.278 54 L C 0.772 177.525 176.870 -0.195 0.000 0.996 54 L CA -0.644 54.049 54.840 -0.245 0.000 0.831 54 L CB 1.804 43.772 42.059 -0.150 0.000 1.232 54 L HN 0.635 nan 8.230 nan 0.000 0.413 55 G N 2.409 111.110 108.800 -0.164 0.000 2.353 55 G HA2 0.263 4.242 3.960 0.033 0.000 0.239 55 G HA3 0.263 4.242 3.960 0.033 0.000 0.239 55 G C -0.550 174.306 174.900 -0.073 0.000 1.295 55 G CA 0.150 45.188 45.100 -0.103 0.000 0.884 55 G HN 0.666 nan 8.290 nan 0.000 0.537 56 Q N 1.691 121.462 119.800 -0.049 0.000 2.443 56 Q HA 0.226 4.586 4.340 0.033 0.000 0.241 56 Q C -0.442 175.543 176.000 -0.026 0.000 0.880 56 Q CA -0.706 55.074 55.803 -0.039 0.000 0.974 56 Q CB 1.610 30.328 28.738 -0.032 0.000 1.482 56 Q HN 0.305 nan 8.270 nan 0.000 0.448 57 V N 4.066 123.959 119.914 -0.035 0.000 3.174 57 V HA 0.130 4.270 4.120 0.033 0.000 0.254 57 V C 0.461 176.540 176.094 -0.026 0.000 1.120 57 V CA 0.751 63.033 62.300 -0.030 0.000 1.114 57 V CB 0.297 32.092 31.823 -0.046 0.000 0.756 57 V HN 0.655 nan 8.190 nan 0.000 0.467 58 L N 2.332 123.539 121.223 -0.026 0.000 2.488 58 L HA 0.350 4.710 4.340 0.033 0.000 0.250 58 L C -1.948 174.920 176.870 -0.004 0.000 1.280 58 L CA -0.601 54.228 54.840 -0.017 0.000 0.929 58 L CB 1.776 43.823 42.059 -0.021 0.000 1.200 58 L HN 0.076 nan 8.230 nan 0.000 0.495 59 P HA 0.112 nan 4.420 nan 0.000 0.267 59 P C 0.541 177.852 177.300 0.017 0.000 1.289 59 P CA 0.001 63.108 63.100 0.012 0.000 0.866 59 P CB 0.652 32.358 31.700 0.011 0.000 1.309 60 A N 0.723 123.551 122.820 0.014 0.000 2.546 60 A HA 0.391 4.730 4.320 0.033 0.000 0.243 60 A C 1.590 179.190 177.584 0.028 0.000 1.063 60 A CA 0.900 52.949 52.037 0.019 0.000 0.757 60 A CB -1.153 17.857 19.000 0.017 0.000 0.991 60 A HN 0.374 nan 8.150 nan 0.000 0.503 61 G N 1.366 110.183 108.800 0.028 0.000 2.184 61 G HA2 -0.307 3.673 3.960 0.033 0.000 0.264 61 G HA3 -0.307 3.673 3.960 0.033 0.000 0.264 61 G C 0.699 175.620 174.900 0.035 0.000 0.975 61 G CA 0.875 45.995 45.100 0.033 0.000 0.642 61 G HN 0.941 nan 8.290 nan 0.000 0.536 62 E N 0.335 120.557 120.200 0.036 0.000 2.489 62 E HA 0.407 4.777 4.350 0.033 0.000 0.193 62 E C 1.462 178.070 176.600 0.013 0.000 1.057 62 E CA 0.998 57.427 56.400 0.050 0.000 0.866 62 E CB -0.175 29.571 29.700 0.076 0.000 0.916 62 E HN 1.696 nan 8.360 nan 0.000 0.500 63 G N 0.815 109.616 108.800 0.001 0.000 2.710 63 G HA2 -0.266 3.714 3.960 0.033 0.000 0.668 63 G HA3 -0.266 3.714 3.960 0.033 0.000 0.668 63 G C -0.817 174.066 174.900 -0.028 0.000 1.320 63 G CA -0.550 44.540 45.100 -0.018 0.000 0.860 63 G HN 0.252 nan 8.290 nan 0.000 0.538 64 Q N 0.299 120.081 119.800 -0.030 0.000 2.269 64 Q HA 0.092 4.452 4.340 0.033 0.000 0.300 64 Q C 1.068 177.050 176.000 -0.032 0.000 1.070 64 Q CA 0.724 56.513 55.803 -0.024 0.000 0.957 64 Q CB 0.122 28.847 28.738 -0.022 0.000 1.131 64 Q HN 0.832 nan 8.270 nan 0.000 0.377 65 N N 4.009 122.704 118.700 -0.009 0.000 2.724 65 N HA -0.189 4.571 4.740 0.033 0.000 0.293 65 N C -2.274 173.220 175.510 -0.027 0.000 1.090 65 N CA -0.042 53.008 53.050 0.001 0.000 0.793 65 N CB -0.034 38.464 38.487 0.019 0.000 0.958 65 N HN 0.423 nan 8.380 nan 0.000 0.575 66 P HA -0.219 nan 4.420 nan 0.000 0.217 66 P C 1.145 178.432 177.300 -0.021 0.000 1.151 66 P CA 2.314 65.385 63.100 -0.049 0.000 0.849 66 P CB -0.023 31.686 31.700 0.016 0.000 0.787 67 A N -0.278 122.535 122.820 -0.012 0.000 1.903 67 A HA -0.293 4.047 4.320 0.033 0.000 0.219 67 A C 2.400 179.973 177.584 -0.018 0.000 1.191 67 A CA 2.424 54.446 52.037 -0.026 0.000 0.638 67 A CB -1.218 17.750 19.000 -0.053 0.000 0.823 67 A HN 0.030 nan 8.150 nan 0.000 0.451 68 R N -0.060 120.435 120.500 -0.008 0.000 2.096 68 R HA -0.103 4.257 4.340 0.033 0.000 0.235 68 R C 2.260 178.542 176.300 -0.031 0.000 1.127 68 R CA 2.044 58.140 56.100 -0.008 0.000 0.968 68 R CB -0.659 29.641 30.300 -0.000 0.000 0.861 68 R HN 0.736 nan 8.270 nan 0.000 0.440 69 Q N -0.655 119.098 119.800 -0.080 0.000 2.050 69 Q HA -0.108 4.252 4.340 0.033 0.000 0.202 69 Q C 2.117 178.111 176.000 -0.010 0.000 0.980 69 Q CA 1.771 57.484 55.803 -0.149 0.000 0.840 69 Q CB -0.273 28.161 28.738 -0.506 0.000 0.898 69 Q HN 0.451 nan 8.270 nan 0.000 0.424 70 A N 1.297 124.149 122.820 0.053 0.000 1.883 70 A HA -0.167 4.173 4.320 0.033 0.000 0.217 70 A C 2.339 179.951 177.584 0.047 0.000 1.186 70 A CA 1.754 53.850 52.037 0.099 0.000 0.624 70 A CB -0.904 18.135 19.000 0.065 0.000 0.822 70 A HN 0.410 nan 8.150 nan 0.000 0.444 71 A N -0.806 122.024 122.820 0.017 0.000 1.877 71 A HA -0.147 4.193 4.320 0.033 0.000 0.216 71 A C 2.232 179.824 177.584 0.014 0.000 1.186 71 A CA 2.045 54.087 52.037 0.008 0.000 0.620 71 A CB -0.514 18.486 19.000 0.000 0.000 0.822 71 A HN 0.450 nan 8.150 nan 0.000 0.443 72 M N -0.574 119.033 119.600 0.012 0.000 2.117 72 M HA -0.136 4.364 4.480 0.033 0.000 0.262 72 M C 2.174 178.487 176.300 0.022 0.000 1.065 72 M CA 2.037 57.345 55.300 0.012 0.000 1.114 72 M CB -1.053 31.547 32.600 0.001 0.000 1.361 72 M HN 0.569 nan 8.290 nan 0.000 0.408 73 K N 0.411 120.836 120.400 0.041 0.000 2.097 73 K HA -0.073 4.267 4.320 0.033 0.000 0.206 73 K C 1.662 178.284 176.600 0.037 0.000 1.049 73 K CA 1.459 57.778 56.287 0.054 0.000 0.933 73 K CB -0.028 32.536 32.500 0.106 0.000 0.717 73 K HN 0.255 nan 8.250 nan 0.000 0.442 74 A N -0.135 122.705 122.820 0.032 0.000 2.235 74 A HA 0.196 4.536 4.320 0.033 0.000 0.208 74 A C 1.313 178.906 177.584 0.014 0.000 1.172 74 A CA 0.818 52.868 52.037 0.021 0.000 0.786 74 A CB -0.435 18.576 19.000 0.019 0.000 0.804 74 A HN 0.585 nan 8.150 nan 0.000 0.479 75 G N -1.671 107.138 108.800 0.014 0.000 2.176 75 G HA2 -0.208 3.772 3.960 0.033 0.000 0.253 75 G HA3 -0.208 3.772 3.960 0.033 0.000 0.253 75 G C 0.243 175.149 174.900 0.009 0.000 0.979 75 G CA 0.060 45.166 45.100 0.010 0.000 0.641 75 G HN 0.742 nan 8.290 nan 0.000 0.530 76 V N 3.508 123.427 119.914 0.010 0.000 2.599 76 V HA 0.290 4.430 4.120 0.033 0.000 0.300 76 V C -0.659 175.441 176.094 0.010 0.000 1.034 76 V CA -0.415 61.890 62.300 0.009 0.000 1.115 76 V CB 0.850 32.677 31.823 0.008 0.000 0.934 76 V HN 0.330 nan 8.190 nan 0.000 0.485 77 P HA 0.033 nan 4.420 nan 0.000 0.269 77 P C 0.465 177.772 177.300 0.011 0.000 1.215 77 P CA -0.260 62.845 63.100 0.009 0.000 0.780 77 P CB 0.473 32.178 31.700 0.009 0.000 0.898 78 Q N 0.815 120.620 119.800 0.009 0.000 2.439 78 Q HA -0.182 4.177 4.340 0.033 0.000 0.211 78 Q C 0.574 176.581 176.000 0.012 0.000 0.978 78 Q CA 1.544 57.352 55.803 0.009 0.000 0.897 78 Q CB -0.381 28.361 28.738 0.007 0.000 0.956 78 Q HN 0.390 nan 8.270 nan 0.000 0.483 79 E N 1.312 121.519 120.200 0.012 0.000 2.285 79 E HA 0.139 4.509 4.350 0.033 0.000 0.194 79 E C 0.515 177.126 176.600 0.018 0.000 0.997 79 E CA 0.699 57.107 56.400 0.013 0.000 0.845 79 E CB 0.106 29.812 29.700 0.010 0.000 0.782 79 E HN 0.518 nan 8.360 nan 0.000 0.491 80 A N 0.701 123.533 122.820 0.020 0.000 2.280 80 A HA 0.490 4.830 4.320 0.033 0.000 0.268 80 A C 0.608 178.216 177.584 0.039 0.000 1.111 80 A CA -0.038 52.016 52.037 0.028 0.000 0.814 80 A CB 0.229 19.244 19.000 0.024 0.000 1.093 80 A HN 0.184 nan 8.150 nan 0.000 0.498 81 T N -2.716 111.875 114.554 0.061 0.000 2.910 81 T HA 0.856 5.225 4.350 0.033 0.000 0.287 81 T C -0.434 174.337 174.700 0.118 0.000 1.050 81 T CA -0.164 61.990 62.100 0.090 0.000 1.011 81 T CB 1.721 70.657 68.868 0.113 0.000 1.195 81 T HN 2.174 nan 8.240 nan 0.000 0.540 82 A N 0.672 123.596 122.820 0.173 0.000 2.594 82 A HA 0.706 5.046 4.320 0.033 0.000 0.296 82 A C -1.922 175.835 177.584 0.288 0.000 1.056 82 A CA -1.119 51.005 52.037 0.145 0.000 0.693 82 A CB 1.202 20.226 19.000 0.040 0.000 1.278 82 A HN 1.199 nan 8.150 nan 0.000 0.408 83 W N 0.926 122.214 121.300 -0.020 0.000 3.137 83 W HA 0.748 5.434 4.660 0.044 0.000 0.324 83 W C -0.311 176.196 176.519 -0.021 0.000 1.253 83 W CA -0.802 56.531 57.345 -0.021 0.000 1.183 83 W CB 0.988 30.435 29.460 -0.021 0.000 1.424 83 W HN 1.319 nan 8.180 nan 0.000 0.566 84 G N 1.168 110.086 108.800 0.195 0.000 2.537 84 G HA2 0.829 4.809 3.960 0.033 0.000 0.323 84 G HA3 0.829 4.809 3.960 0.033 0.000 0.323 84 G C -1.194 173.803 174.900 0.160 0.000 1.207 84 G CA -1.025 44.096 45.100 0.035 0.000 0.976 84 G HN 0.605 nan 8.290 nan 0.000 0.487 85 M N -0.817 118.809 119.600 0.044 0.000 2.683 85 M HA 0.682 5.182 4.480 0.033 0.000 0.274 85 M C -1.452 174.877 176.300 0.047 0.000 1.272 85 M CA -1.355 54.019 55.300 0.123 0.000 0.833 85 M CB 2.146 34.870 32.600 0.208 0.000 1.708 85 M HN 0.369 nan 8.290 nan 0.000 0.463 86 N N 0.690 119.428 118.700 0.064 0.000 2.594 86 N HA 0.297 5.056 4.740 0.033 0.000 0.280 86 N C -1.945 173.593 175.510 0.046 0.000 1.156 86 N CA -0.069 53.002 53.050 0.036 0.000 0.831 86 N CB 1.523 40.027 38.487 0.029 0.000 1.379 86 N HN 0.911 nan 8.380 nan 0.000 0.536 87 Q N 5.351 125.176 119.800 0.042 0.000 2.462 87 Q HA 0.359 4.718 4.340 0.033 0.000 0.395 87 Q C -0.202 175.828 176.000 0.049 0.000 0.911 87 Q CA -0.404 55.432 55.803 0.056 0.000 1.112 87 Q CB 0.005 28.784 28.738 0.069 0.000 1.350 87 Q HN 0.736 nan 8.270 nan 0.000 0.407 91 S N 0.860 116.573 115.700 0.023 0.000 2.365 91 S HA -0.105 4.384 4.470 0.033 0.000 0.225 91 S C 2.463 177.040 174.600 -0.037 0.000 1.039 91 S CA 2.022 60.217 58.200 -0.009 0.000 1.033 91 S CB -0.480 62.708 63.200 -0.019 0.000 0.887 91 S HN 0.698 nan 8.310 nan 0.000 0.447 92 G N 0.765 109.549 108.800 -0.027 0.000 2.443 92 G HA2 -0.101 3.879 3.960 0.033 0.000 0.219 92 G HA3 -0.101 3.879 3.960 0.033 0.000 0.219 92 G C 1.350 176.226 174.900 -0.041 0.000 1.131 92 G CA 0.599 45.674 45.100 -0.043 0.000 0.775 92 G HN 0.382 nan 8.290 nan 0.000 0.547 93 L N 0.320 121.534 121.223 -0.014 0.000 2.068 93 L HA 0.285 4.644 4.340 0.033 0.000 0.204 93 L C 2.697 179.531 176.870 -0.061 0.000 1.076 93 L CA 1.441 56.273 54.840 -0.012 0.000 0.753 93 L CB -0.613 41.466 42.059 0.033 0.000 0.910 93 L HN 0.146 nan 8.230 nan 0.000 0.439 94 R N 0.383 120.849 120.500 -0.055 0.000 2.103 94 R HA -0.172 4.187 4.340 0.033 0.000 0.242 94 R C 2.163 178.347 176.300 -0.193 0.000 1.142 94 R CA 1.834 57.855 56.100 -0.131 0.000 0.960 94 R CB -1.013 29.255 30.300 -0.054 0.000 0.858 94 R HN 0.484 nan 8.270 nan 0.000 0.439 95 A N -0.454 122.267 122.820 -0.165 0.000 1.917 95 A HA -0.177 4.163 4.320 0.033 0.000 0.219 95 A C 2.359 179.812 177.584 -0.218 0.000 1.182 95 A CA 2.070 53.970 52.037 -0.228 0.000 0.633 95 A CB -0.830 18.035 19.000 -0.226 0.000 0.819 95 A HN 0.211 nan 8.150 nan 0.000 0.448 96 V N -0.401 119.408 119.914 -0.176 0.000 2.358 96 V HA -0.215 3.924 4.120 0.033 0.000 0.246 96 V C 3.048 179.016 176.094 -0.210 0.000 1.047 96 V CA 1.896 64.104 62.300 -0.154 0.000 1.035 96 V CB -1.272 30.490 31.823 -0.101 0.000 0.658 96 V HN 0.637 nan 8.190 nan 0.000 0.452 97 A N -0.121 122.503 122.820 -0.327 0.000 1.902 97 A HA -0.159 4.180 4.320 0.033 0.000 0.217 97 A C 2.197 179.483 177.584 -0.497 0.000 1.181 97 A CA 1.832 53.509 52.037 -0.599 0.000 0.623 97 A CB -0.536 17.704 19.000 -1.267 0.000 0.818 97 A HN 0.516 nan 8.150 nan 0.000 0.443 98 L N -0.815 120.197 121.223 -0.352 0.000 2.093 98 L HA -0.054 4.306 4.340 0.033 0.000 0.208 98 L C 2.801 179.637 176.870 -0.057 0.000 1.085 98 L CA 0.980 55.730 54.840 -0.150 0.000 0.755 98 L CB -0.692 41.382 42.059 0.025 0.000 0.904 98 L HN 0.460 nan 8.230 nan 0.000 0.435 99 G N -0.609 108.128 108.800 -0.105 0.000 2.402 99 G HA2 -0.276 3.704 3.960 0.033 0.000 0.216 99 G HA3 -0.276 3.704 3.960 0.033 0.000 0.216 99 G C 1.639 176.512 174.900 -0.045 0.000 1.162 99 G CA 0.546 45.611 45.100 -0.058 0.000 0.777 99 G HN 0.171 nan 8.290 nan 0.000 0.539 100 M N 0.167 119.716 119.600 -0.085 0.000 2.082 100 M HA -0.189 4.311 4.480 0.033 0.000 0.258 100 M C 2.716 179.001 176.300 -0.025 0.000 1.069 100 M CA 1.812 57.078 55.300 -0.055 0.000 1.102 100 M CB -0.318 32.233 32.600 -0.082 0.000 1.336 100 M HN 0.310 nan 8.290 nan 0.000 0.404 101 Q N -0.423 119.355 119.800 -0.036 0.000 2.181 101 Q HA -0.226 4.133 4.340 0.033 0.000 0.205 101 Q C 2.014 178.031 176.000 0.028 0.000 0.980 101 Q CA 1.421 57.229 55.803 0.008 0.000 0.862 101 Q CB -0.119 28.622 28.738 0.006 0.000 0.905 101 Q HN 0.585 nan 8.270 nan 0.000 0.429 102 Q N 0.307 120.129 119.800 0.036 0.000 2.096 102 Q HA -0.153 4.207 4.340 0.033 0.000 0.204 102 Q C 2.087 178.107 176.000 0.033 0.000 0.982 102 Q CA 1.331 57.164 55.803 0.050 0.000 0.850 102 Q CB -0.286 28.500 28.738 0.080 0.000 0.901 102 Q HN 0.490 nan 8.270 nan 0.000 0.422 103 I N 0.548 121.132 120.570 0.024 0.000 2.286 103 I HA -0.181 4.008 4.170 0.033 0.000 0.245 103 I C 2.341 178.470 176.117 0.021 0.000 1.104 103 I CA 0.884 62.195 61.300 0.019 0.000 1.397 103 I CB -0.412 37.595 38.000 0.012 0.000 1.072 103 I HN 0.052 nan 8.210 nan 0.000 0.417 104 A N 0.650 123.484 122.820 0.024 0.000 1.933 104 A HA -0.207 4.133 4.320 0.033 0.000 0.218 104 A C 2.311 179.912 177.584 0.028 0.000 1.175 104 A CA 2.257 54.311 52.037 0.029 0.000 0.628 104 A CB -1.086 17.939 19.000 0.041 0.000 0.814 104 A HN 0.515 nan 8.150 nan 0.000 0.444 105 T N -4.354 110.217 114.554 0.028 0.000 3.129 105 T HA 0.397 4.766 4.350 0.033 0.000 0.251 105 T C 1.286 175.997 174.700 0.019 0.000 1.117 105 T CA 1.029 63.143 62.100 0.024 0.000 1.034 105 T CB -0.134 68.748 68.868 0.024 0.000 0.968 105 T HN 1.709 nan 8.240 nan 0.000 0.526 106 G N 1.471 110.282 108.800 0.019 0.000 2.143 106 G HA2 -0.225 3.755 3.960 0.033 0.000 0.248 106 G HA3 -0.225 3.755 3.960 0.033 0.000 0.248 106 G C 0.428 175.338 174.900 0.016 0.000 0.991 106 G CA 0.300 45.409 45.100 0.016 0.000 0.689 106 G HN 0.556 nan 8.290 nan 0.000 0.522 107 D N 0.061 120.473 120.400 0.019 0.000 2.354 107 D HA 0.458 5.117 4.640 0.033 0.000 0.209 107 D C 1.276 177.591 176.300 0.025 0.000 1.015 107 D CA 1.284 55.296 54.000 0.019 0.000 0.867 107 D CB 0.597 41.408 40.800 0.018 0.000 0.933 107 D HN 0.951 nan 8.370 nan 0.000 0.520 108 A N -0.792 122.045 122.820 0.027 0.000 2.587 108 A HA 0.560 4.899 4.320 0.033 0.000 0.293 108 A C 0.356 177.953 177.584 0.021 0.000 1.087 108 A CA -0.409 51.645 52.037 0.028 0.000 0.692 108 A CB 1.696 20.720 19.000 0.040 0.000 1.291 108 A HN -0.127 nan 8.150 nan 0.000 0.407 109 S N -0.322 115.389 115.700 0.018 0.000 2.566 109 S HA 0.395 4.884 4.470 0.033 0.000 0.234 109 S C 0.279 174.886 174.600 0.011 0.000 1.075 109 S CA 0.532 58.740 58.200 0.013 0.000 0.926 109 S CB 0.021 63.228 63.200 0.012 0.000 0.811 109 S HN 0.547 nan 8.310 nan 0.000 0.518 110 I N 2.577 123.154 120.570 0.011 0.000 2.439 110 I HA 0.416 4.605 4.170 0.033 0.000 0.285 110 I C -1.379 174.741 176.117 0.004 0.000 1.021 110 I CA -0.406 60.898 61.300 0.006 0.000 1.091 110 I CB 1.753 39.757 38.000 0.006 0.000 1.242 110 I HN 0.086 nan 8.210 nan 0.000 0.439 111 I N 6.587 127.154 120.570 -0.005 0.000 2.689 111 I HA 0.446 4.635 4.170 0.033 0.000 0.299 111 I C -0.287 175.810 176.117 -0.033 0.000 1.059 111 I CA -0.902 60.388 61.300 -0.017 0.000 1.055 111 I CB 2.417 40.403 38.000 -0.023 0.000 1.243 111 I HN 0.097 nan 8.210 nan 0.000 0.425 112 V N 4.462 124.347 119.914 -0.048 0.000 2.357 112 V HA 0.803 4.942 4.120 0.033 0.000 0.284 112 V C 0.134 176.169 176.094 -0.100 0.000 1.018 112 V CA -0.430 61.836 62.300 -0.057 0.000 0.841 112 V CB 1.358 33.155 31.823 -0.043 0.000 0.991 112 V HN 0.902 nan 8.190 nan 0.000 0.437 113 A N 3.542 126.300 122.820 -0.103 0.000 2.498 113 A HA 1.059 5.399 4.320 0.033 0.000 0.298 113 A C 0.113 177.622 177.584 -0.125 0.000 1.075 113 A CA 0.106 52.049 52.037 -0.157 0.000 0.714 113 A CB 2.206 21.106 19.000 -0.167 0.000 1.299 113 A HN 1.370 nan 8.150 nan 0.000 0.407 114 G N -0.677 108.038 108.800 -0.141 0.000 2.552 114 G HA2 0.658 4.638 3.960 0.033 0.000 0.137 114 G HA3 0.658 4.638 3.960 0.033 0.000 0.137 114 G C -0.191 174.644 174.900 -0.108 0.000 1.135 114 G CA 0.523 45.563 45.100 -0.098 0.000 1.047 114 G HN 2.000 nan 8.290 nan 0.000 0.501 115 G N -0.636 108.115 108.800 -0.082 0.000 2.684 115 G HA2 0.780 4.760 3.960 0.033 0.000 0.290 115 G HA3 0.780 4.760 3.960 0.033 0.000 0.290 115 G C -0.725 174.128 174.900 -0.077 0.000 1.425 115 G CA 0.043 45.094 45.100 -0.082 0.000 0.822 115 G HN 1.523 nan 8.290 nan 0.000 0.482 116 M N -0.582 118.971 119.600 -0.079 0.000 2.520 116 M HA 0.922 5.422 4.480 0.033 0.000 0.283 116 M C -1.739 174.512 176.300 -0.080 0.000 1.237 116 M CA -0.938 54.309 55.300 -0.088 0.000 0.885 116 M CB 2.790 35.336 32.600 -0.090 0.000 1.727 116 M HN 0.502 nan 8.290 nan 0.000 0.468 117 E N 0.714 120.859 120.200 -0.092 0.000 2.381 117 E HA 0.474 4.844 4.350 0.033 0.000 0.286 117 E C -2.003 174.555 176.600 -0.069 0.000 0.960 117 E CA -0.205 56.150 56.400 -0.075 0.000 0.793 117 E CB 2.436 32.086 29.700 -0.083 0.000 1.225 117 E HN 0.749 nan 8.360 nan 0.000 0.420 118 S N 5.080 120.754 115.700 -0.043 0.000 2.532 118 S HA 0.301 4.790 4.470 0.033 0.000 0.256 118 S C 0.588 175.205 174.600 0.029 0.000 1.298 118 S CA -0.389 57.800 58.200 -0.017 0.000 1.166 118 S CB 0.161 63.340 63.200 -0.036 0.000 1.022 118 S HN 0.721 nan 8.310 nan 0.000 0.480 119 M N 2.124 121.764 119.600 0.067 0.000 2.229 119 M HA -0.041 4.458 4.480 0.033 0.000 0.264 119 M C 2.282 178.759 176.300 0.295 0.000 1.063 119 M CA 1.163 56.545 55.300 0.135 0.000 1.114 119 M CB -0.355 32.303 32.600 0.097 0.000 1.387 119 M HN 0.593 nan 8.290 nan 0.000 0.420 120 S N 0.286 116.127 115.700 0.235 0.000 2.374 120 S HA -0.100 4.390 4.470 0.033 0.000 0.227 120 S C 1.704 176.308 174.600 0.007 0.000 1.037 120 S CA 1.183 59.388 58.200 0.008 0.000 1.024 120 S CB -0.144 63.003 63.200 -0.090 0.000 0.861 120 S HN 0.419 nan 8.310 nan 0.000 0.456 121 M N 0.879 120.496 119.600 0.030 0.000 2.618 121 M HA 0.280 4.779 4.480 0.033 0.000 0.240 121 M C 0.755 177.082 176.300 0.044 0.000 1.123 121 M CA -0.188 55.127 55.300 0.025 0.000 1.060 121 M CB -1.482 31.125 32.600 0.012 0.000 1.535 121 M HN 0.158 nan 8.290 nan 0.000 0.507 122 A N 3.193 126.051 122.820 0.063 0.000 2.511 122 A HA 0.382 4.722 4.320 0.033 0.000 0.242 122 A C -1.960 175.654 177.584 0.049 0.000 1.069 122 A CA -0.692 51.373 52.037 0.046 0.000 0.763 122 A CB -0.574 18.455 19.000 0.047 0.000 1.001 122 A HN 0.163 nan 8.150 nan 0.000 0.498 123 P HA 0.416 nan 4.420 nan 0.000 0.284 123 P C -0.973 176.347 177.300 0.033 0.000 1.287 123 P CA -0.401 62.746 63.100 0.079 0.000 0.824 123 P CB 0.774 32.521 31.700 0.078 0.000 1.180 124 H N -1.345 117.758 119.070 0.054 0.000 2.463 124 H HA 0.480 5.056 4.556 0.033 0.000 0.332 124 H C 0.125 175.493 175.328 0.067 0.000 1.127 124 H CA 0.106 56.190 56.048 0.060 0.000 1.238 124 H CB 0.572 30.367 29.762 0.054 0.000 1.478 124 H HN 0.618 nan 8.280 nan 0.000 0.499 125 C N 1.465 120.860 119.300 0.159 0.000 3.236 125 C HA 1.000 5.479 4.460 0.033 0.000 0.312 125 C C -0.883 174.205 174.990 0.164 0.000 1.374 125 C CA -0.645 58.456 59.018 0.138 0.000 1.455 125 C CB 0.843 28.636 27.740 0.087 0.000 1.834 125 C HN 0.989 nan 8.230 nan 0.000 0.460 126 A N 0.232 123.146 122.820 0.157 0.000 2.566 126 A HA 0.631 4.971 4.320 0.033 0.000 0.297 126 A C -1.142 176.497 177.584 0.091 0.000 1.059 126 A CA -0.235 51.901 52.037 0.165 0.000 0.691 126 A CB 0.678 19.844 19.000 0.277 0.000 1.282 126 A HN 1.293 nan 8.150 nan 0.000 0.401 127 H N 3.431 122.493 119.070 -0.013 0.000 3.004 127 H HA 0.416 4.992 4.556 0.032 0.000 0.267 127 H C -0.599 174.658 175.328 -0.118 0.000 1.165 127 H CA 0.180 56.200 56.048 -0.047 0.000 1.450 127 H CB 0.432 30.174 29.762 -0.033 0.000 1.488 127 H HN 0.546 nan 8.280 nan 0.000 0.478 128 L N 4.819 125.754 121.223 -0.479 0.000 3.016 128 L HA 0.195 4.555 4.340 0.033 0.000 0.267 128 L C 2.299 178.925 176.870 -0.407 0.000 1.182 128 L CA -0.122 54.446 54.840 -0.454 0.000 0.997 128 L CB 0.217 42.100 42.059 -0.293 0.000 1.354 128 L HN 0.530 nan 8.230 nan 0.000 0.569 129 R N 0.605 120.793 120.500 -0.519 0.000 2.096 129 R HA -0.078 4.281 4.340 0.033 0.000 0.235 129 R C 2.041 178.203 176.300 -0.229 0.000 1.127 129 R CA 1.552 57.481 56.100 -0.285 0.000 0.968 129 R CB -0.205 30.002 30.300 -0.156 0.000 0.861 129 R HN 0.368 nan 8.270 nan 0.000 0.440 130 G N -0.276 108.347 108.800 -0.294 0.000 2.880 130 G HA2 0.262 4.242 3.960 0.033 0.000 0.209 130 G HA3 0.262 4.242 3.960 0.033 0.000 0.209 130 G C 0.364 175.175 174.900 -0.149 0.000 1.157 130 G CA 0.376 45.388 45.100 -0.146 0.000 0.779 130 G HN 0.572 nan 8.290 nan 0.000 0.539 131 G N -1.319 107.355 108.800 -0.211 0.000 2.755 131 G HA2 -0.010 3.970 3.960 0.033 0.000 0.686 131 G HA3 -0.010 3.970 3.960 0.033 0.000 0.686 131 G C -0.620 174.172 174.900 -0.180 0.000 1.427 131 G CA -0.408 44.582 45.100 -0.183 0.000 0.873 131 G HN 0.841 nan 8.290 nan 0.000 0.580 132 V N 3.161 122.973 119.914 -0.170 0.000 2.293 132 V HA 0.299 4.438 4.120 0.033 0.000 0.275 132 V C 1.413 177.487 176.094 -0.034 0.000 1.021 132 V CA -0.311 61.925 62.300 -0.107 0.000 0.815 132 V CB 1.237 32.982 31.823 -0.130 0.000 1.025 132 V HN 0.834 nan 8.190 nan 0.000 0.448 133 K N 4.417 124.805 120.400 -0.020 0.000 2.097 133 K HA 0.027 4.366 4.320 0.033 0.000 0.206 133 K C 0.510 177.119 176.600 0.015 0.000 1.049 133 K CA 1.373 57.657 56.287 -0.005 0.000 0.933 133 K CB 0.029 32.527 32.500 -0.004 0.000 0.717 133 K HN 0.789 nan 8.250 nan 0.000 0.442 134 M N -3.161 116.456 119.600 0.028 0.000 2.694 134 M HA 0.508 5.007 4.480 0.033 0.000 0.276 134 M C -0.980 175.356 176.300 0.059 0.000 1.167 134 M CA -0.414 54.912 55.300 0.043 0.000 0.849 134 M CB 2.355 34.973 32.600 0.030 0.000 1.705 134 M HN 0.141 nan 8.290 nan 0.000 0.504 135 G N 1.376 110.216 108.800 0.068 0.000 2.650 135 G HA2 0.023 4.003 3.960 0.033 0.000 0.686 135 G HA3 0.023 4.003 3.960 0.033 0.000 0.686 135 G C -1.583 173.385 174.900 0.114 0.000 1.205 135 G CA -0.596 44.547 45.100 0.072 0.000 0.781 135 G HN 0.979 nan 8.290 nan 0.000 0.648 136 D N -0.182 120.267 120.400 0.082 0.000 2.361 136 D HA 0.587 5.246 4.640 0.033 0.000 0.239 136 D C 0.671 177.066 176.300 0.159 0.000 1.200 136 D CA 1.013 55.048 54.000 0.058 0.000 0.915 136 D CB 0.534 41.327 40.800 -0.011 0.000 1.170 136 D HN 0.664 nan 8.370 nan 0.000 0.444 137 F N -2.230 117.730 119.950 0.016 0.000 2.613 137 F HA 0.578 5.124 4.527 0.032 0.000 0.314 137 F C -0.287 175.531 175.800 0.030 0.000 1.075 137 F CA -1.330 56.684 58.000 0.022 0.000 0.945 137 F CB 1.158 40.170 39.000 0.019 0.000 1.310 137 F HN -0.115 nan 8.300 nan 0.000 0.467 138 K N 1.931 122.428 120.400 0.162 0.000 2.118 138 K HA 0.487 4.826 4.320 0.033 0.000 0.267 138 K C -0.779 175.915 176.600 0.155 0.000 0.991 138 K CA -0.873 55.454 56.287 0.067 0.000 0.916 138 K CB 1.149 33.710 32.500 0.101 0.000 1.041 138 K HN 0.542 nan 8.250 nan 0.000 0.455 139 M N 4.149 123.800 119.600 0.084 0.000 2.061 139 M HA 0.300 4.799 4.480 0.033 0.000 0.346 139 M C -0.675 175.762 176.300 0.229 0.000 1.112 139 M CA -0.704 54.692 55.300 0.161 0.000 1.021 139 M CB 0.632 33.281 32.600 0.082 0.000 1.530 139 M HN 0.389 nan 8.290 nan 0.000 0.437 140 I N 2.538 123.225 120.570 0.195 0.000 2.365 140 I HA 0.150 4.339 4.170 0.033 0.000 0.291 140 I C 0.510 176.619 176.117 -0.013 0.000 1.004 140 I CA -0.431 60.939 61.300 0.117 0.000 1.311 140 I CB 0.930 38.976 38.000 0.077 0.000 1.401 140 I HN 0.484 nan 8.210 nan 0.000 0.491 141 D N 4.947 125.266 120.400 -0.134 0.000 2.352 141 D HA 0.018 4.678 4.640 0.033 0.000 0.245 141 D C 1.417 177.594 176.300 -0.205 0.000 1.224 141 D CA -0.024 53.701 54.000 -0.460 0.000 0.879 141 D CB 1.070 41.680 40.800 -0.316 0.000 1.057 141 D HN 0.711 nan 8.370 nan 0.000 0.491 142 T N 1.474 115.916 114.554 -0.187 0.000 2.833 142 T HA -0.244 4.125 4.350 0.033 0.000 0.269 142 T C 2.020 176.679 174.700 -0.069 0.000 1.054 142 T CA 0.911 62.962 62.100 -0.083 0.000 1.135 142 T CB -0.222 68.619 68.868 -0.045 0.000 0.869 142 T HN 0.495 nan 8.240 nan 0.000 0.466 143 M N 0.552 120.110 119.600 -0.070 0.000 2.065 143 M HA -0.071 4.429 4.480 0.033 0.000 0.259 143 M C 2.003 178.267 176.300 -0.060 0.000 1.069 143 M CA 1.925 57.194 55.300 -0.052 0.000 1.110 143 M CB -0.280 32.307 32.600 -0.021 0.000 1.328 143 M HN 0.194 nan 8.290 nan 0.000 0.405 144 I N 0.389 120.931 120.570 -0.046 0.000 2.163 144 I HA -0.242 3.947 4.170 0.033 0.000 0.240 144 I C 2.410 178.506 176.117 -0.036 0.000 1.081 144 I CA 1.447 62.738 61.300 -0.016 0.000 1.353 144 I CB -1.466 36.559 38.000 0.041 0.000 1.054 144 I HN 0.339 nan 8.210 nan 0.000 0.407 145 K N 1.497 121.876 120.400 -0.035 0.000 2.026 145 K HA -0.176 4.163 4.320 0.033 0.000 0.208 145 K C 1.497 178.062 176.600 -0.058 0.000 1.048 145 K CA 1.784 58.048 56.287 -0.038 0.000 0.929 145 K CB -0.139 32.344 32.500 -0.028 0.000 0.713 145 K HN 0.194 nan 8.250 nan 0.000 0.439 146 D N -1.678 118.689 120.400 -0.056 0.000 2.346 146 D HA 0.091 4.751 4.640 0.033 0.000 0.206 146 D C 1.401 177.663 176.300 -0.063 0.000 1.001 146 D CA 1.000 54.965 54.000 -0.058 0.000 0.871 146 D CB 0.624 41.397 40.800 -0.044 0.000 0.943 146 D HN 0.443 nan 8.370 nan 0.000 0.518 147 G N -0.280 108.477 108.800 -0.072 0.000 2.747 147 G HA2 0.130 4.109 3.960 0.033 0.000 0.202 147 G HA3 0.130 4.109 3.960 0.033 0.000 0.202 147 G C 1.172 176.010 174.900 -0.103 0.000 1.090 147 G CA -0.095 44.956 45.100 -0.080 0.000 0.779 147 G HN 0.197 nan 8.290 nan 0.000 0.535 148 L N 1.032 122.171 121.223 -0.139 0.000 3.016 148 L HA 0.337 4.696 4.340 0.033 0.000 0.267 148 L C -0.030 176.648 176.870 -0.319 0.000 1.182 148 L CA 0.043 54.726 54.840 -0.263 0.000 0.997 148 L CB 1.210 43.039 42.059 -0.385 0.000 1.354 148 L HN -0.112 nan 8.230 nan 0.000 0.569 149 T N -0.204 114.256 114.554 -0.156 0.000 2.794 149 T HA 0.197 4.567 4.350 0.033 0.000 0.280 149 T C -0.615 174.036 174.700 -0.082 0.000 0.987 149 T CA -0.362 61.684 62.100 -0.090 0.000 0.993 149 T CB 2.081 70.923 68.868 -0.044 0.000 0.939 149 T HN 0.004 nan 8.240 nan 0.000 0.449 150 D N 1.846 122.224 120.400 -0.036 0.000 2.390 150 D HA 0.378 5.038 4.640 0.033 0.000 0.249 150 D C 1.061 177.228 176.300 -0.223 0.000 1.144 150 D CA -0.275 53.685 54.000 -0.067 0.000 0.880 150 D CB 0.786 41.618 40.800 0.053 0.000 1.182 150 D HN 0.525 nan 8.370 nan 0.000 0.451 151 A N 3.201 125.756 122.820 -0.442 0.000 2.067 151 A HA -0.020 4.320 4.320 0.033 0.000 0.217 151 A C 1.364 178.473 177.584 -0.792 0.000 1.156 151 A CA 0.656 52.300 52.037 -0.655 0.000 0.683 151 A CB -0.457 18.030 19.000 -0.855 0.000 0.808 151 A HN 0.640 nan 8.150 nan 0.000 0.455 152 F N -2.568 117.254 119.950 -0.214 0.000 2.262 152 F HA 0.114 4.660 4.527 0.032 0.000 0.292 152 F C 1.678 177.039 175.800 -0.731 0.000 1.081 152 F CA 0.714 58.449 58.000 -0.442 0.000 1.355 152 F CB -0.485 38.232 39.000 -0.471 0.000 1.069 152 F HN 0.227 nan 8.300 nan 0.000 0.506 153 Y N -0.608 119.564 120.300 -0.212 0.000 2.449 153 Y HA 0.409 4.979 4.550 0.032 0.000 0.254 153 Y C 2.000 177.621 175.900 -0.465 0.000 1.140 153 Y CA 0.130 57.953 58.100 -0.461 0.000 1.272 153 Y CB 0.215 38.052 38.460 -1.039 0.000 1.114 153 Y HN 0.162 nan 8.280 nan 0.000 0.525 154 G N -0.136 108.518 108.800 -0.243 0.000 2.205 154 G HA2 -0.349 3.631 3.960 0.033 0.000 0.261 154 G HA3 -0.349 3.631 3.960 0.033 0.000 0.261 154 G C 0.003 174.919 174.900 0.027 0.000 0.980 154 G CA 0.488 45.529 45.100 -0.099 0.000 0.632 154 G HN 0.403 nan 8.290 nan 0.000 0.533 155 Y N 0.081 120.449 120.300 0.114 0.000 2.519 155 Y HA 0.825 5.395 4.550 0.032 0.000 0.324 155 Y C 0.616 176.576 175.900 0.099 0.000 1.214 155 Y CA -2.634 55.534 58.100 0.114 0.000 1.260 155 Y CB 0.226 38.749 38.460 0.106 0.000 1.311 155 Y HN 0.282 nan 8.280 nan 0.000 0.505 156 H N 2.047 121.276 119.070 0.265 0.000 2.671 156 H HA 0.096 4.672 4.556 0.033 0.000 0.372 156 H C 1.048 176.371 175.328 -0.008 0.000 1.227 156 H CA 0.019 56.131 56.048 0.107 0.000 1.426 156 H CB 1.089 30.921 29.762 0.118 0.000 1.480 156 H HN 0.813 nan 8.280 nan 0.000 0.611 157 M N 2.604 122.118 119.600 -0.143 0.000 2.149 157 M HA -0.111 4.389 4.480 0.033 0.000 0.261 157 M C 2.350 178.487 176.300 -0.272 0.000 1.064 157 M CA 1.487 56.789 55.300 0.004 0.000 1.102 157 M CB -1.607 31.089 32.600 0.159 0.000 1.369 157 M HN 0.810 nan 8.290 nan 0.000 0.408 158 G N -0.667 107.850 108.800 -0.471 0.000 2.462 158 G HA2 -0.206 3.774 3.960 0.033 0.000 0.220 158 G HA3 -0.206 3.774 3.960 0.033 0.000 0.220 158 G C 1.551 175.844 174.900 -1.012 0.000 1.121 158 G CA 1.532 45.638 45.100 -1.656 0.000 0.758 158 G HN 0.428 nan 8.290 nan 0.000 0.559 159 T N 0.778 114.958 114.554 -0.623 0.000 2.904 159 T HA -0.099 4.271 4.350 0.033 0.000 0.267 159 T C 2.823 177.201 174.700 -0.537 0.000 1.059 159 T CA 1.891 63.662 62.100 -0.548 0.000 1.137 159 T CB -0.406 68.023 68.868 -0.732 0.000 0.879 159 T HN 0.589 nan 8.240 nan 0.000 0.467 160 T N 0.855 115.176 114.554 -0.390 0.000 2.867 160 T HA 0.049 4.419 4.350 0.033 0.000 0.268 160 T C 2.233 176.747 174.700 -0.310 0.000 1.057 160 T CA 1.059 63.022 62.100 -0.229 0.000 1.136 160 T CB -0.471 68.362 68.868 -0.058 0.000 0.874 160 T HN 0.293 nan 8.240 nan 0.000 0.466 161 A N 1.715 124.199 122.820 -0.559 0.000 1.930 161 A HA -0.048 4.291 4.320 0.033 0.000 0.217 161 A C 2.471 179.858 177.584 -0.328 0.000 1.175 161 A CA 1.290 52.999 52.037 -0.547 0.000 0.627 161 A CB -0.477 17.863 19.000 -1.101 0.000 0.815 161 A HN 0.476 nan 8.150 nan 0.000 0.443 162 E N 0.652 120.658 120.200 -0.323 0.000 2.051 162 E HA -0.171 4.199 4.350 0.033 0.000 0.192 162 E C 1.752 178.263 176.600 -0.149 0.000 0.991 162 E CA 1.161 57.447 56.400 -0.190 0.000 0.799 162 E CB -0.499 29.096 29.700 -0.174 0.000 0.748 162 E HN 0.574 nan 8.360 nan 0.000 0.449 163 N N 0.756 119.345 118.700 -0.185 0.000 2.061 163 N HA -0.147 4.613 4.740 0.033 0.000 0.193 163 N C 2.027 177.514 175.510 -0.037 0.000 1.030 163 N CA 1.062 54.043 53.050 -0.115 0.000 0.856 163 N CB -0.570 37.842 38.487 -0.124 0.000 1.023 163 N HN 0.019 nan 8.380 nan 0.000 0.424 164 V N 1.245 121.136 119.914 -0.038 0.000 2.515 164 V HA -0.106 4.033 4.120 0.033 0.000 0.250 164 V C 2.318 178.467 176.094 0.091 0.000 1.058 164 V CA 1.516 63.852 62.300 0.059 0.000 1.064 164 V CB -0.784 31.015 31.823 -0.040 0.000 0.675 164 V HN 0.311 nan 8.190 nan 0.000 0.461 165 A N 0.132 122.952 122.820 0.000 0.000 1.897 165 A HA -0.168 4.172 4.320 0.033 0.000 0.215 165 A C 2.262 179.883 177.584 0.061 0.000 1.181 165 A CA 1.594 53.645 52.037 0.024 0.000 0.620 165 A CB -0.315 18.674 19.000 -0.018 0.000 0.821 165 A HN 0.540 nan 8.150 nan 0.000 0.443 166 K N -0.443 119.971 120.400 0.024 0.000 1.991 166 K HA -0.243 4.097 4.320 0.033 0.000 0.212 166 K C 2.385 179.004 176.600 0.032 0.000 1.049 166 K CA 1.727 58.023 56.287 0.015 0.000 0.932 166 K CB -0.306 32.185 32.500 -0.015 0.000 0.717 166 K HN 0.643 nan 8.250 nan 0.000 0.441 167 Q N -0.071 119.757 119.800 0.047 0.000 2.135 167 Q HA -0.190 4.169 4.340 0.033 0.000 0.204 167 Q C 1.102 177.077 176.000 -0.042 0.000 0.981 167 Q CA 1.688 57.494 55.803 0.005 0.000 0.856 167 Q CB -0.004 28.758 28.738 0.041 0.000 0.902 167 Q HN 0.421 nan 8.270 nan 0.000 0.425 168 W N 1.006 122.278 121.300 -0.046 0.000 3.278 168 W HA 0.210 4.891 4.660 0.034 0.000 0.308 168 W C -0.200 176.298 176.519 -0.034 0.000 1.253 168 W CA -0.062 57.258 57.345 -0.041 0.000 1.759 168 W CB 0.449 29.881 29.460 -0.046 0.000 1.093 168 W HN 0.147 nan 8.180 nan 0.000 0.648 169 Q N 0.527 120.407 119.800 0.133 0.000 2.453 169 Q HA -0.215 4.145 4.340 0.033 0.000 0.330 169 Q C -0.580 175.473 176.000 0.089 0.000 1.417 169 Q CA 0.641 56.490 55.803 0.077 0.000 0.902 169 Q CB -2.503 26.258 28.738 0.038 0.000 1.154 169 Q HN 0.379 nan 8.270 nan 0.000 0.395 170 L N 1.058 122.334 121.223 0.089 0.000 2.264 170 L HA 0.350 4.710 4.340 0.033 0.000 0.289 170 L C 1.120 178.013 176.870 0.039 0.000 1.044 170 L CA -0.511 54.365 54.840 0.059 0.000 0.807 170 L CB 1.283 43.359 42.059 0.028 0.000 1.192 170 L HN 0.316 nan 8.230 nan 0.000 0.425 171 S N 1.928 117.652 115.700 0.039 0.000 2.624 171 S HA 0.211 4.701 4.470 0.033 0.000 0.263 171 S C 0.993 175.614 174.600 0.035 0.000 1.287 171 S CA -0.639 57.581 58.200 0.034 0.000 0.990 171 S CB 1.568 64.788 63.200 0.034 0.000 0.950 171 S HN 0.687 nan 8.310 nan 0.000 0.561 172 R N 0.980 121.500 120.500 0.033 0.000 2.083 172 R HA -0.128 4.232 4.340 0.033 0.000 0.237 172 R C 1.339 177.667 176.300 0.046 0.000 1.137 172 R CA 2.333 58.456 56.100 0.038 0.000 0.951 172 R CB -1.414 28.906 30.300 0.032 0.000 0.851 172 R HN 0.793 nan 8.270 nan 0.000 0.434 173 D N 0.167 120.592 120.400 0.042 0.000 2.116 173 D HA -0.208 4.452 4.640 0.033 0.000 0.193 173 D C 1.723 178.059 176.300 0.059 0.000 0.998 173 D CA 1.782 55.809 54.000 0.045 0.000 0.836 173 D CB -0.330 40.493 40.800 0.038 0.000 0.951 173 D HN 0.593 nan 8.370 nan 0.000 0.449 174 E N 0.342 120.578 120.200 0.060 0.000 2.106 174 E HA -0.193 4.176 4.350 0.033 0.000 0.192 174 E C 1.920 178.582 176.600 0.103 0.000 0.984 174 E CA 0.805 57.252 56.400 0.077 0.000 0.806 174 E CB 0.065 29.802 29.700 0.061 0.000 0.750 174 E HN 0.310 nan 8.360 nan 0.000 0.458 175 Q N 0.154 120.002 119.800 0.081 0.000 2.079 175 Q HA -0.159 4.200 4.340 0.033 0.000 0.200 175 Q C 1.775 177.867 176.000 0.153 0.000 0.974 175 Q CA 1.530 57.393 55.803 0.099 0.000 0.840 175 Q CB 0.060 28.837 28.738 0.065 0.000 0.898 175 Q HN 0.301 nan 8.270 nan 0.000 0.430 176 D N 0.329 120.795 120.400 0.109 0.000 2.117 176 D HA -0.109 4.551 4.640 0.033 0.000 0.198 176 D C 1.724 178.084 176.300 0.099 0.000 0.982 176 D CA 1.276 55.334 54.000 0.097 0.000 0.828 176 D CB -0.179 40.661 40.800 0.065 0.000 0.967 176 D HN 0.254 nan 8.370 nan 0.000 0.464 177 A N 0.060 122.940 122.820 0.101 0.000 1.933 177 A HA -0.152 4.187 4.320 0.033 0.000 0.218 177 A C 2.091 179.737 177.584 0.103 0.000 1.175 177 A CA 0.862 52.949 52.037 0.083 0.000 0.628 177 A CB -0.923 18.123 19.000 0.077 0.000 0.814 177 A HN 0.266 nan 8.150 nan 0.000 0.444 178 F N 0.815 120.777 119.950 0.020 0.000 2.113 178 F HA -0.029 4.517 4.527 0.032 0.000 0.297 178 F C 2.527 178.337 175.800 0.016 0.000 1.103 178 F CA 1.237 59.249 58.000 0.019 0.000 1.248 178 F CB -0.314 38.701 39.000 0.024 0.000 0.999 178 F HN 0.255 nan 8.300 nan 0.000 0.475 179 A N -0.103 122.838 122.820 0.202 0.000 1.858 179 A HA -0.150 4.190 4.320 0.033 0.000 0.216 179 A C 2.261 179.837 177.584 -0.012 0.000 1.190 179 A CA 2.116 54.219 52.037 0.110 0.000 0.617 179 A CB -1.405 17.677 19.000 0.135 0.000 0.827 179 A HN 0.258 nan 8.150 nan 0.000 0.443 180 V N -0.102 119.809 119.914 -0.005 0.000 2.343 180 V HA -0.243 3.897 4.120 0.033 0.000 0.247 180 V C 3.004 179.051 176.094 -0.080 0.000 1.051 180 V CA 1.941 64.219 62.300 -0.036 0.000 1.036 180 V CB -1.261 30.553 31.823 -0.015 0.000 0.654 180 V HN 0.616 nan 8.190 nan 0.000 0.451 181 A N -0.789 121.962 122.820 -0.115 0.000 2.015 181 A HA -0.195 4.145 4.320 0.033 0.000 0.219 181 A C 2.531 179.994 177.584 -0.202 0.000 1.163 181 A CA 1.934 53.878 52.037 -0.156 0.000 0.646 181 A CB -0.593 18.290 19.000 -0.194 0.000 0.806 181 A HN 0.480 nan 8.150 nan 0.000 0.448 182 S N -0.860 114.684 115.700 -0.260 0.000 2.355 182 S HA -0.184 4.306 4.470 0.033 0.000 0.222 182 S C 2.191 176.721 174.600 -0.117 0.000 1.031 182 S CA 1.509 59.576 58.200 -0.221 0.000 0.993 182 S CB -0.344 62.738 63.200 -0.197 0.000 0.859 182 S HN 0.609 nan 8.310 nan 0.000 0.453 183 Q N 1.195 120.934 119.800 -0.102 0.000 2.050 183 Q HA -0.078 4.282 4.340 0.033 0.000 0.202 183 Q C 1.987 177.927 176.000 -0.101 0.000 0.980 183 Q CA 1.602 57.349 55.803 -0.093 0.000 0.840 183 Q CB -0.941 27.744 28.738 -0.089 0.000 0.898 183 Q HN 0.705 nan 8.270 nan 0.000 0.424 184 N N 0.467 119.107 118.700 -0.099 0.000 2.166 184 N HA -0.125 4.635 4.740 0.033 0.000 0.186 184 N C 1.737 177.189 175.510 -0.097 0.000 1.019 184 N CA 0.769 53.760 53.050 -0.098 0.000 0.856 184 N CB 0.046 38.484 38.487 -0.082 0.000 0.993 184 N HN 0.192 nan 8.380 nan 0.000 0.426 185 K N 0.557 120.901 120.400 -0.092 0.000 2.103 185 K HA 0.048 4.388 4.320 0.033 0.000 0.204 185 K C 2.090 178.658 176.600 -0.053 0.000 1.052 185 K CA 0.852 57.090 56.287 -0.081 0.000 0.945 185 K CB 0.027 32.476 32.500 -0.085 0.000 0.722 185 K HN 0.125 nan 8.250 nan 0.000 0.443 186 A N 1.494 124.312 122.820 -0.003 0.000 1.929 186 A HA -0.164 4.176 4.320 0.033 0.000 0.216 186 A C 2.047 179.670 177.584 0.065 0.000 1.176 186 A CA 1.179 53.296 52.037 0.133 0.000 0.628 186 A CB -0.272 18.814 19.000 0.143 0.000 0.816 186 A HN 0.251 nan 8.150 nan 0.000 0.444 187 E N 0.101 120.250 120.200 -0.085 0.000 2.077 187 E HA -0.150 4.220 4.350 0.033 0.000 0.193 187 E C 2.205 178.711 176.600 -0.156 0.000 0.989 187 E CA 1.065 57.335 56.400 -0.217 0.000 0.800 187 E CB -0.187 29.301 29.700 -0.353 0.000 0.746 187 E HN 0.514 nan 8.360 nan 0.000 0.452 188 A N 1.235 123.977 122.820 -0.130 0.000 1.902 188 A HA -0.079 4.261 4.320 0.033 0.000 0.217 188 A C 2.383 179.875 177.584 -0.154 0.000 1.181 188 A CA 1.844 53.810 52.037 -0.119 0.000 0.623 188 A CB -0.623 18.315 19.000 -0.103 0.000 0.818 188 A HN 0.364 nan 8.150 nan 0.000 0.443 189 A N -0.713 121.976 122.820 -0.218 0.000 1.902 189 A HA -0.214 4.126 4.320 0.033 0.000 0.217 189 A C 2.218 179.525 177.584 -0.461 0.000 1.181 189 A CA 1.847 53.633 52.037 -0.418 0.000 0.623 189 A CB -0.601 17.991 19.000 -0.680 0.000 0.818 189 A HN 0.682 nan 8.150 nan 0.000 0.443 190 Q N -0.072 119.581 119.800 -0.245 0.000 2.020 190 Q HA -0.210 4.150 4.340 0.033 0.000 0.202 190 Q C 1.963 177.955 176.000 -0.013 0.000 0.982 190 Q CA 1.902 57.712 55.803 0.011 0.000 0.838 190 Q CB -0.176 28.702 28.738 0.233 0.000 0.899 190 Q HN 0.656 nan 8.270 nan 0.000 0.423 191 K N 0.213 120.597 120.400 -0.026 0.000 2.063 191 K HA -0.155 4.185 4.320 0.033 0.000 0.208 191 K C 1.445 178.020 176.600 -0.042 0.000 1.048 191 K CA 1.404 57.684 56.287 -0.012 0.000 0.928 191 K CB -0.053 32.439 32.500 -0.013 0.000 0.713 191 K HN 0.288 nan 8.250 nan 0.000 0.442 192 D N -0.588 119.761 120.400 -0.084 0.000 2.378 192 D HA -0.000 4.659 4.640 0.033 0.000 0.227 192 D C 1.011 177.259 176.300 -0.086 0.000 1.012 192 D CA 0.883 54.833 54.000 -0.084 0.000 0.905 192 D CB 0.326 41.063 40.800 -0.105 0.000 0.895 192 D HN 0.463 nan 8.370 nan 0.000 0.532 193 G N 0.914 109.661 108.800 -0.088 0.000 2.157 193 G HA2 -0.368 3.611 3.960 0.033 0.000 0.248 193 G HA3 -0.368 3.611 3.960 0.033 0.000 0.248 193 G C 1.210 176.043 174.900 -0.112 0.000 0.979 193 G CA 0.109 45.169 45.100 -0.067 0.000 0.650 193 G HN 0.340 nan 8.290 nan 0.000 0.529 194 R N -0.974 119.386 120.500 -0.233 0.000 2.235 194 R HA 0.139 4.499 4.340 0.033 0.000 0.213 194 R C 1.577 177.732 176.300 -0.241 0.000 1.059 194 R CA 1.090 57.026 56.100 -0.274 0.000 0.997 194 R CB -0.222 29.835 30.300 -0.406 0.000 0.884 194 R HN 0.432 nan 8.270 nan 0.000 0.462 195 F N 0.555 120.486 119.950 -0.032 0.000 2.789 195 F HA 0.111 4.655 4.527 0.029 0.000 0.300 195 F C 2.106 177.849 175.800 -0.094 0.000 1.132 195 F CA 0.122 58.093 58.000 -0.049 0.000 1.404 195 F CB -0.173 38.816 39.000 -0.019 0.000 1.114 195 F HN -0.133 nan 8.300 nan 0.000 0.584 196 K N 0.671 121.101 120.400 0.049 0.000 2.057 196 K HA -0.171 4.169 4.320 0.033 0.000 0.207 196 K C 1.411 177.942 176.600 -0.115 0.000 1.049 196 K CA 1.845 58.124 56.287 -0.014 0.000 0.931 196 K CB -0.061 32.429 32.500 -0.016 0.000 0.714 196 K HN 0.052 nan 8.250 nan 0.000 0.440 197 D N 0.790 121.071 120.400 -0.199 0.000 2.117 197 D HA -0.191 4.469 4.640 0.033 0.000 0.198 197 D C 1.851 177.659 176.300 -0.820 0.000 0.982 197 D CA 1.520 55.280 54.000 -0.400 0.000 0.828 197 D CB -0.128 40.467 40.800 -0.342 0.000 0.967 197 D HN 0.587 nan 8.370 nan 0.000 0.464 198 E N 0.518 120.206 120.200 -0.853 0.000 2.216 198 E HA -0.076 4.294 4.350 0.033 0.000 0.192 198 E C 0.857 177.289 176.600 -0.280 0.000 0.988 198 E CA 0.243 56.154 56.400 -0.814 0.000 0.834 198 E CB 0.023 29.538 29.700 -0.309 0.000 0.772 198 E HN 0.216 nan 8.360 nan 0.000 0.479 199 I N 2.251 122.732 120.570 -0.149 0.000 2.474 199 I HA 0.061 4.251 4.170 0.033 0.000 0.287 199 I C -0.298 175.796 176.117 -0.037 0.000 1.048 199 I CA -0.548 60.725 61.300 -0.045 0.000 1.383 199 I CB 1.767 39.774 38.000 0.012 0.000 1.412 199 I HN -0.039 nan 8.210 nan 0.000 0.531 200 V N 8.925 128.844 119.914 0.008 0.000 2.417 200 V HA 0.474 4.613 4.120 0.033 0.000 0.291 200 V C -2.285 173.851 176.094 0.070 0.000 1.024 200 V CA -2.168 60.148 62.300 0.025 0.000 0.861 200 V CB 1.780 33.621 31.823 0.031 0.000 0.985 200 V HN 0.518 nan 8.190 nan 0.000 0.436 201 P HA 0.153 nan 4.420 nan 0.000 0.265 201 P C -1.266 176.108 177.300 0.123 0.000 1.193 201 P CA 0.284 63.441 63.100 0.096 0.000 0.765 201 P CB 0.121 31.849 31.700 0.046 0.000 0.823 202 F N 4.489 124.477 119.950 0.064 0.000 2.444 202 F HA 0.425 4.965 4.527 0.021 0.000 0.342 202 F C -0.622 175.222 175.800 0.074 0.000 1.121 202 F CA -1.105 56.916 58.000 0.035 0.000 0.997 202 F CB 0.731 39.726 39.000 -0.008 0.000 1.130 202 F HN 0.086 nan 8.300 nan 0.000 0.454 203 I N 7.501 127.543 120.570 -0.881 0.000 2.312 203 I HA 0.168 4.357 4.170 0.033 0.000 0.291 203 I C -0.317 175.497 176.117 -0.505 0.000 1.031 203 I CA -0.776 60.232 61.300 -0.486 0.000 1.293 203 I CB 0.828 38.609 38.000 -0.366 0.000 1.403 203 I HN 0.244 nan 8.210 nan 0.000 0.484 204 V N 7.815 127.720 119.914 -0.015 0.000 2.370 204 V HA 0.111 4.251 4.120 0.033 0.000 0.257 204 V C 0.832 176.955 176.094 0.048 0.000 1.064 204 V CA -0.841 61.575 62.300 0.193 0.000 0.975 204 V CB -0.214 31.792 31.823 0.305 0.000 1.067 204 V HN 0.511 nan 8.190 nan 0.000 0.485 205 K N 4.490 124.896 120.400 0.009 0.000 2.402 205 K HA 0.279 4.618 4.320 0.033 0.000 0.285 205 K C 0.588 177.201 176.600 0.022 0.000 1.054 205 K CA 0.180 56.461 56.287 -0.011 0.000 1.001 205 K CB 1.165 33.652 32.500 -0.023 0.000 0.946 205 K HN 0.785 nan 8.250 nan 0.000 0.473 206 G N 2.038 110.845 108.800 0.012 0.000 2.705 206 G HA2 0.310 4.289 3.960 0.033 0.000 0.299 206 G HA3 0.310 4.289 3.960 0.033 0.000 0.299 206 G C 0.714 175.619 174.900 0.007 0.000 1.315 206 G CA -0.487 44.622 45.100 0.016 0.000 1.045 206 G HN 0.494 nan 8.290 nan 0.000 0.517 207 R N -0.602 119.902 120.500 0.007 0.000 2.119 207 R HA 0.190 4.550 4.340 0.033 0.000 0.202 207 R C 0.796 177.097 176.300 0.001 0.000 1.114 207 R CA 0.309 56.411 56.100 0.004 0.000 1.089 207 R CB -0.186 30.118 30.300 0.005 0.000 1.000 207 R HN 0.370 nan 8.270 nan 0.000 0.487 208 K N 1.746 122.147 120.400 0.002 0.000 2.862 208 K HA 0.291 4.631 4.320 0.033 0.000 0.229 208 K C -0.282 176.318 176.600 -0.000 0.000 1.107 208 K CA 0.426 56.713 56.287 0.000 0.000 1.222 208 K CB 0.593 33.094 32.500 0.000 0.000 1.067 208 K HN 0.520 nan 8.250 nan 0.000 0.464 209 G N 1.558 110.358 108.800 -0.001 0.000 2.931 209 G HA2 -0.114 3.865 3.960 0.033 0.000 0.675 209 G HA3 -0.114 3.865 3.960 0.033 0.000 0.675 209 G C -1.615 173.285 174.900 -0.000 0.000 1.339 209 G CA -1.107 43.992 45.100 -0.002 0.000 0.866 209 G HN 0.098 nan 8.290 nan 0.000 0.616 210 D N 0.446 120.842 120.400 -0.006 0.000 2.256 210 D HA 0.632 5.291 4.640 0.033 0.000 0.250 210 D C 0.522 176.820 176.300 -0.003 0.000 1.093 210 D CA 0.238 54.231 54.000 -0.011 0.000 0.882 210 D CB 1.624 42.406 40.800 -0.031 0.000 1.185 210 D HN 0.462 nan 8.370 nan 0.000 0.437 211 I N 1.128 121.706 120.570 0.012 0.000 2.465 211 I HA 0.169 4.358 4.170 0.033 0.000 0.291 211 I C 0.147 176.286 176.117 0.037 0.000 1.014 211 I CA -0.505 60.810 61.300 0.025 0.000 1.093 211 I CB 2.024 40.047 38.000 0.040 0.000 1.267 211 I HN 0.043 nan 8.210 nan 0.000 0.431 212 T N 5.611 120.181 114.554 0.028 0.000 2.771 212 T HA 0.382 4.751 4.350 0.033 0.000 0.291 212 T C -0.198 174.552 174.700 0.084 0.000 0.954 212 T CA -0.375 61.750 62.100 0.042 0.000 1.045 212 T CB 1.035 69.911 68.868 0.014 0.000 0.917 212 T HN 0.182 nan 8.240 nan 0.000 0.484 213 V N 4.877 124.892 119.914 0.168 0.000 2.334 213 V HA 0.332 4.471 4.120 0.033 0.000 0.281 213 V C 0.228 176.428 176.094 0.176 0.000 1.016 213 V CA -0.698 61.704 62.300 0.171 0.000 0.832 213 V CB 1.149 33.120 31.823 0.246 0.000 0.999 213 V HN 1.010 nan 8.190 nan 0.000 0.439 214 D N 2.834 123.294 120.400 0.100 0.000 2.582 214 D HA 0.368 5.027 4.640 0.033 0.000 0.246 214 D C 0.082 176.428 176.300 0.077 0.000 1.334 214 D CA 0.068 54.124 54.000 0.095 0.000 0.805 214 D CB 1.013 41.855 40.800 0.070 0.000 1.087 214 D HN 0.514 nan 8.370 nan 0.000 0.499 215 A N 0.155 123.012 122.820 0.063 0.000 2.371 215 A HA 0.470 4.809 4.320 0.033 0.000 0.311 215 A C -0.724 176.880 177.584 0.033 0.000 1.068 215 A CA -0.758 51.316 52.037 0.061 0.000 0.744 215 A CB 1.138 20.171 19.000 0.055 0.000 1.239 215 A HN -0.011 nan 8.150 nan 0.000 0.435 216 D N 2.271 122.689 120.400 0.030 0.000 2.389 216 D HA 0.041 4.700 4.640 0.033 0.000 0.263 216 D C 1.136 177.461 176.300 0.040 0.000 1.255 216 D CA 0.604 54.603 54.000 -0.002 0.000 0.914 216 D CB 0.880 41.627 40.800 -0.087 0.000 1.116 216 D HN 0.778 nan 8.370 nan 0.000 0.502 217 E N 2.043 122.256 120.200 0.021 0.000 2.474 217 E HA -0.158 4.211 4.350 0.033 0.000 0.194 217 E C 1.172 177.842 176.600 0.117 0.000 1.041 217 E CA 0.083 56.503 56.400 0.034 0.000 0.874 217 E CB -0.048 29.627 29.700 -0.041 0.000 0.914 217 E HN 0.413 nan 8.360 nan 0.000 0.498 218 Y N 1.876 122.171 120.300 -0.009 0.000 2.457 218 Y HA 0.206 4.775 4.550 0.032 0.000 0.292 218 Y C 0.600 176.526 175.900 0.042 0.000 1.125 218 Y CA -0.618 57.491 58.100 0.015 0.000 1.254 218 Y CB 0.206 38.671 38.460 0.009 0.000 1.012 218 Y HN -0.078 nan 8.280 nan 0.000 0.555 219 I N 4.219 124.797 120.570 0.013 0.000 2.741 219 I HA -0.067 4.122 4.170 0.033 0.000 0.288 219 I C 0.135 176.274 176.117 0.036 0.000 1.192 219 I CA 0.433 61.718 61.300 -0.024 0.000 1.426 219 I CB 0.247 38.285 38.000 0.064 0.000 1.367 219 I HN 0.074 nan 8.210 nan 0.000 0.563 220 R N 5.191 125.662 120.500 -0.049 0.000 2.312 220 R HA 0.459 4.819 4.340 0.033 0.000 0.311 220 R C -0.911 175.443 176.300 0.090 0.000 1.004 220 R CA -0.927 55.203 56.100 0.050 0.000 0.902 220 R CB 0.631 30.904 30.300 -0.046 0.000 1.073 220 R HN 0.459 nan 8.270 nan 0.000 0.457 221 H N 0.577 119.621 119.070 -0.043 0.000 2.580 221 H HA 0.247 4.822 4.556 0.032 0.000 0.322 221 H C 1.159 176.470 175.328 -0.028 0.000 1.082 221 H CA 0.682 56.714 56.048 -0.028 0.000 1.383 221 H CB 1.379 31.130 29.762 -0.018 0.000 1.450 221 H HN 0.985 nan 8.280 nan 0.000 0.505 222 G N 1.888 110.705 108.800 0.028 0.000 2.249 222 G HA2 -0.209 3.771 3.960 0.033 0.000 0.273 222 G HA3 -0.209 3.771 3.960 0.033 0.000 0.273 222 G C 0.457 175.357 174.900 -0.000 0.000 1.036 222 G CA 0.088 45.195 45.100 0.011 0.000 0.824 222 G HN 0.935 nan 8.290 nan 0.000 0.504 223 A N 0.205 123.015 122.820 -0.018 0.000 2.567 223 A HA 0.575 4.914 4.320 0.033 0.000 0.240 223 A C 1.073 178.648 177.584 -0.016 0.000 1.053 223 A CA 1.389 53.413 52.037 -0.021 0.000 0.755 223 A CB 0.159 19.134 19.000 -0.042 0.000 0.978 223 A HN 1.943 nan 8.150 nan 0.000 0.507 224 T N 0.773 115.322 114.554 -0.009 0.000 2.888 224 T HA 0.460 4.829 4.350 0.033 0.000 0.284 224 T C 0.827 175.526 174.700 -0.001 0.000 1.017 224 T CA -0.608 61.489 62.100 -0.005 0.000 1.022 224 T CB 1.153 70.020 68.868 -0.001 0.000 1.013 224 T HN 0.552 nan 8.240 nan 0.000 0.465 225 L N 1.173 122.397 121.223 0.002 0.000 2.046 225 L HA 0.037 4.396 4.340 0.033 0.000 0.208 225 L C 1.974 178.850 176.870 0.011 0.000 1.077 225 L CA 1.923 56.769 54.840 0.009 0.000 0.747 225 L CB -0.952 41.113 42.059 0.010 0.000 0.896 225 L HN 0.763 nan 8.230 nan 0.000 0.432 226 D N -0.654 119.750 120.400 0.008 0.000 2.116 226 D HA -0.206 4.453 4.640 0.033 0.000 0.193 226 D C 2.382 178.687 176.300 0.008 0.000 0.998 226 D CA 1.837 55.841 54.000 0.008 0.000 0.836 226 D CB -0.250 40.553 40.800 0.006 0.000 0.951 226 D HN 0.563 nan 8.370 nan 0.000 0.449 227 S N -0.392 115.312 115.700 0.006 0.000 2.419 227 S HA -0.153 4.336 4.470 0.033 0.000 0.233 227 S C 1.903 176.509 174.600 0.009 0.000 1.016 227 S CA 0.807 59.011 58.200 0.006 0.000 0.974 227 S CB -0.134 63.067 63.200 0.003 0.000 0.786 227 S HN 0.040 nan 8.310 nan 0.000 0.492 228 M N 2.399 122.007 119.600 0.013 0.000 2.156 228 M HA 0.358 4.858 4.480 0.033 0.000 0.264 228 M C 2.267 178.582 176.300 0.024 0.000 1.067 228 M CA 1.177 56.489 55.300 0.021 0.000 1.131 228 M CB -1.161 31.454 32.600 0.026 0.000 1.368 228 M HN 0.418 nan 8.290 nan 0.000 0.416 229 A N -0.840 121.993 122.820 0.021 0.000 2.019 229 A HA -0.158 4.182 4.320 0.033 0.000 0.219 229 A C 2.143 179.736 177.584 0.015 0.000 1.164 229 A CA 1.574 53.623 52.037 0.020 0.000 0.644 229 A CB -0.591 18.420 19.000 0.017 0.000 0.805 229 A HN 0.536 nan 8.150 nan 0.000 0.449 230 K N -0.779 119.628 120.400 0.012 0.000 2.400 230 K HA 0.263 4.603 4.320 0.033 0.000 0.194 230 K C -0.009 176.594 176.600 0.006 0.000 1.033 230 K CA -0.269 56.023 56.287 0.008 0.000 1.021 230 K CB -0.075 32.429 32.500 0.006 0.000 0.808 230 K HN 0.414 nan 8.250 nan 0.000 0.505 231 L N 1.804 123.032 121.223 0.008 0.000 2.483 231 L HA 0.024 4.384 4.340 0.033 0.000 0.275 231 L C 0.276 177.145 176.870 -0.002 0.000 1.220 231 L CA 0.091 54.934 54.840 0.003 0.000 0.833 231 L CB 0.369 42.435 42.059 0.011 0.000 1.102 231 L HN 0.021 nan 8.230 nan 0.000 0.490 232 R N 2.153 122.645 120.500 -0.015 0.000 2.536 232 R HA 0.365 4.725 4.340 0.033 0.000 0.279 232 R C -2.337 173.940 176.300 -0.037 0.000 1.001 232 R CA -1.567 54.520 56.100 -0.021 0.000 1.027 232 R CB 0.290 30.573 30.300 -0.028 0.000 1.096 232 R HN 0.331 nan 8.270 nan 0.000 0.502 233 P HA -0.019 nan 4.420 nan 0.000 0.264 233 P C -0.491 176.734 177.300 -0.125 0.000 1.193 233 P CA 0.319 63.396 63.100 -0.038 0.000 0.763 233 P CB 0.936 32.632 31.700 -0.006 0.000 0.810 234 A N 1.919 124.589 122.820 -0.251 0.000 2.147 234 A HA 0.112 4.452 4.320 0.033 0.000 0.211 234 A C 0.953 178.045 177.584 -0.820 0.000 1.160 234 A CA 0.890 52.566 52.037 -0.602 0.000 0.781 234 A CB -0.642 17.831 19.000 -0.879 0.000 0.842 234 A HN 0.499 nan 8.150 nan 0.000 0.475 235 F N -1.065 118.842 119.950 -0.072 0.000 2.640 235 F HA 0.259 4.805 4.527 0.032 0.000 0.285 235 F C 0.293 176.050 175.800 -0.072 0.000 1.031 235 F CA -0.500 57.445 58.000 -0.091 0.000 1.240 235 F CB 0.519 39.440 39.000 -0.131 0.000 1.011 235 F HN 0.057 nan 8.300 nan 0.000 0.656 236 D N 0.765 121.225 120.400 0.100 0.000 2.441 236 D HA 0.188 4.848 4.640 0.033 0.000 0.231 236 D C 0.833 177.139 176.300 0.009 0.000 1.073 236 D CA -0.104 53.916 54.000 0.035 0.000 0.850 236 D CB 1.509 42.315 40.800 0.010 0.000 1.062 236 D HN -0.227 nan 8.370 nan 0.000 0.524 237 K N 1.835 122.235 120.400 0.000 0.000 2.189 237 K HA -0.202 4.138 4.320 0.033 0.000 0.207 237 K C 1.058 177.655 176.600 -0.005 0.000 1.046 237 K CA 1.357 57.639 56.287 -0.009 0.000 0.928 237 K CB -0.017 32.479 32.500 -0.007 0.000 0.720 237 K HN 0.679 nan 8.250 nan 0.000 0.458 238 E N -1.032 119.167 120.200 -0.001 0.000 2.939 238 E HA 0.238 4.608 4.350 0.033 0.000 0.215 238 E C 0.531 177.132 176.600 0.001 0.000 1.025 238 E CA -0.362 56.038 56.400 -0.000 0.000 1.259 238 E CB 0.307 30.007 29.700 -0.000 0.000 1.228 238 E HN 0.116 nan 8.360 nan 0.000 0.443 239 G N 0.067 108.870 108.800 0.005 0.000 2.531 239 G HA2 0.157 4.136 3.960 0.033 0.000 0.253 239 G HA3 0.157 4.136 3.960 0.033 0.000 0.253 239 G C 0.337 175.246 174.900 0.016 0.000 1.439 239 G CA 0.169 45.275 45.100 0.010 0.000 1.056 239 G HN 0.145 nan 8.290 nan 0.000 0.555 240 T N -1.491 113.078 114.554 0.025 0.000 2.993 240 T HA 0.226 4.596 4.350 0.033 0.000 0.260 240 T C 0.229 174.965 174.700 0.059 0.000 0.939 240 T CA -0.127 61.992 62.100 0.033 0.000 0.886 240 T CB 0.218 69.097 68.868 0.019 0.000 1.209 240 T HN 0.167 nan 8.240 nan 0.000 0.518 241 V N 3.773 123.741 119.914 0.089 0.000 2.498 241 V HA 0.571 4.710 4.120 0.033 0.000 0.279 241 V C 0.694 176.898 176.094 0.184 0.000 1.048 241 V CA -0.338 62.063 62.300 0.168 0.000 0.967 241 V CB 1.012 32.946 31.823 0.185 0.000 0.988 241 V HN 0.575 nan 8.190 nan 0.000 0.473 242 T N 1.525 116.185 114.554 0.176 0.000 2.773 242 T HA 0.685 5.054 4.350 0.033 0.000 0.278 242 T C 1.045 175.822 174.700 0.128 0.000 1.011 242 T CA -0.045 62.109 62.100 0.090 0.000 1.014 242 T CB 1.865 70.767 68.868 0.056 0.000 1.293 242 T HN 0.597 nan 8.240 nan 0.000 0.554 243 A N -0.112 122.736 122.820 0.047 0.000 2.015 243 A HA 0.269 4.609 4.320 0.033 0.000 0.219 243 A C 2.224 179.871 177.584 0.105 0.000 1.163 243 A CA 1.676 53.758 52.037 0.075 0.000 0.646 243 A CB -1.488 17.529 19.000 0.028 0.000 0.806 243 A HN 1.097 nan 8.150 nan 0.000 0.448 244 G N 0.521 109.370 108.800 0.081 0.000 2.494 244 G HA2 -0.121 3.859 3.960 0.033 0.000 0.216 244 G HA3 -0.121 3.859 3.960 0.033 0.000 0.216 244 G C 1.037 175.996 174.900 0.098 0.000 1.140 244 G CA 0.929 46.070 45.100 0.069 0.000 0.801 244 G HN 0.747 nan 8.290 nan 0.000 0.536 245 N N 0.262 119.043 118.700 0.135 0.000 2.270 245 N HA 0.444 5.203 4.740 0.033 0.000 0.198 245 N C 0.367 176.006 175.510 0.216 0.000 1.117 245 N CA 0.230 53.380 53.050 0.168 0.000 0.845 245 N CB 0.385 38.968 38.487 0.160 0.000 0.980 245 N HN 0.266 nan 8.380 nan 0.000 0.486 246 A N -0.034 122.918 122.820 0.220 0.000 2.322 246 A HA 0.727 5.067 4.320 0.033 0.000 0.327 246 A C 0.355 177.969 177.584 0.050 0.000 1.134 246 A CA -0.469 51.675 52.037 0.178 0.000 0.831 246 A CB 0.752 19.968 19.000 0.360 0.000 1.288 246 A HN 0.379 nan 8.150 nan 0.000 0.472 247 S N -0.058 115.556 115.700 -0.144 0.000 2.641 247 S HA 0.646 5.136 4.470 0.033 0.000 0.261 247 S C 0.614 175.252 174.600 0.063 0.000 1.257 247 S CA 0.062 58.247 58.200 -0.025 0.000 0.983 247 S CB 0.766 63.852 63.200 -0.191 0.000 0.990 247 S HN 1.524 nan 8.310 nan 0.000 0.572 248 G N -0.722 108.117 108.800 0.065 0.000 2.857 248 G HA2 0.619 4.598 3.960 0.033 0.000 0.217 248 G HA3 0.619 4.598 3.960 0.033 0.000 0.217 248 G C -1.144 173.633 174.900 -0.204 0.000 1.357 248 G CA -1.229 43.804 45.100 -0.112 0.000 1.033 248 G HN 0.725 nan 8.290 nan 0.000 0.571 249 L N 0.647 121.678 121.223 -0.321 0.000 2.313 249 L HA 0.508 4.867 4.340 0.033 0.000 0.283 249 L C -0.703 176.020 176.870 -0.245 0.000 1.013 249 L CA -0.598 54.025 54.840 -0.362 0.000 0.816 249 L CB 1.710 43.283 42.059 -0.809 0.000 1.236 249 L HN 0.470 nan 8.230 nan 0.000 0.419 250 N N 0.859 119.469 118.700 -0.150 0.000 2.732 250 N HA 0.501 5.260 4.740 0.033 0.000 0.259 250 N C -1.870 173.639 175.510 -0.001 0.000 1.402 250 N CA -0.907 52.095 53.050 -0.080 0.000 0.829 250 N CB 1.916 40.308 38.487 -0.159 0.000 1.495 250 N HN 0.389 nan 8.380 nan 0.000 0.511 251 D N -0.465 119.967 120.400 0.053 0.000 2.342 251 D HA 0.771 5.431 4.640 0.033 0.000 0.243 251 D C -0.135 176.227 176.300 0.104 0.000 1.019 251 D CA -0.268 53.784 54.000 0.086 0.000 0.864 251 D CB 1.912 42.828 40.800 0.193 0.000 1.315 251 D HN 0.646 nan 8.370 nan 0.000 0.468 252 G N -0.858 107.927 108.800 -0.025 0.000 2.328 252 G HA2 0.620 4.600 3.960 0.033 0.000 0.295 252 G HA3 0.620 4.600 3.960 0.033 0.000 0.295 252 G C -1.965 172.853 174.900 -0.137 0.000 1.413 252 G CA -0.253 44.802 45.100 -0.074 0.000 0.817 252 G HN 0.612 nan 8.290 nan 0.000 0.546 253 A N -1.188 121.547 122.820 -0.141 0.000 2.556 253 A HA 1.160 5.500 4.320 0.033 0.000 0.294 253 A C -0.297 177.249 177.584 -0.064 0.000 1.091 253 A CA 0.164 52.133 52.037 -0.113 0.000 0.704 253 A CB 1.664 20.581 19.000 -0.137 0.000 1.300 253 A HN 2.651 nan 8.150 nan 0.000 0.406 254 A N -0.551 122.242 122.820 -0.045 0.000 2.594 254 A HA 0.978 5.318 4.320 0.033 0.000 0.296 254 A C -0.578 176.996 177.584 -0.017 0.000 1.061 254 A CA 0.222 52.251 52.037 -0.013 0.000 0.689 254 A CB 0.760 19.760 19.000 -0.000 0.000 1.280 254 A HN 2.727 nan 8.150 nan 0.000 0.406 255 A N -0.106 122.716 122.820 0.003 0.000 2.581 255 A HA 1.078 5.417 4.320 0.033 0.000 0.290 255 A C -0.602 176.991 177.584 0.016 0.000 1.119 255 A CA -0.044 51.987 52.037 -0.009 0.000 0.670 255 A CB 0.813 19.797 19.000 -0.027 0.000 1.280 255 A HN 2.696 nan 8.150 nan 0.000 0.425 256 A N -0.173 122.642 122.820 -0.008 0.000 2.475 256 A HA 0.725 5.065 4.320 0.033 0.000 0.301 256 A C -1.344 176.230 177.584 -0.018 0.000 1.059 256 A CA -0.355 51.679 52.037 -0.006 0.000 0.710 256 A CB 1.253 20.241 19.000 -0.021 0.000 1.288 256 A HN 1.649 nan 8.150 nan 0.000 0.408 257 L N 3.195 124.413 121.223 -0.009 0.000 2.272 257 L HA 0.582 4.941 4.340 0.033 0.000 0.289 257 L C -1.465 175.395 176.870 -0.016 0.000 1.032 257 L CA -0.845 53.989 54.840 -0.011 0.000 0.810 257 L CB 0.776 42.836 42.059 0.001 0.000 1.205 257 L HN 0.557 nan 8.230 nan 0.000 0.422 258 L N 6.425 127.636 121.223 -0.020 0.000 2.334 258 L HA 0.667 5.026 4.340 0.033 0.000 0.276 258 L C -0.059 176.806 176.870 -0.009 0.000 1.014 258 L CA -0.452 54.377 54.840 -0.018 0.000 0.815 258 L CB 1.410 43.453 42.059 -0.026 0.000 1.268 258 L HN 0.809 nan 8.230 nan 0.000 0.428 259 M N 0.038 119.635 119.600 -0.005 0.000 2.732 259 M HA 0.520 5.019 4.480 0.033 0.000 0.272 259 M C -0.213 176.089 176.300 0.003 0.000 1.203 259 M CA -0.721 54.580 55.300 0.001 0.000 0.841 259 M CB 2.096 34.698 32.600 0.003 0.000 1.685 259 M HN 0.453 nan 8.290 nan 0.000 0.492 260 S N -0.177 115.527 115.700 0.007 0.000 2.566 260 S HA 0.050 4.539 4.470 0.033 0.000 0.280 260 S C 0.718 175.323 174.600 0.009 0.000 1.343 260 S CA 0.612 58.817 58.200 0.009 0.000 1.036 260 S CB 0.968 64.174 63.200 0.011 0.000 0.866 260 S HN 0.991 nan 8.310 nan 0.000 0.526 261 E N 2.008 122.214 120.200 0.011 0.000 2.077 261 E HA -0.169 4.200 4.350 0.033 0.000 0.193 261 E C 2.133 178.739 176.600 0.011 0.000 0.989 261 E CA 1.225 57.632 56.400 0.012 0.000 0.800 261 E CB -0.627 29.082 29.700 0.016 0.000 0.746 261 E HN 0.881 nan 8.360 nan 0.000 0.452 262 A N 0.946 123.773 122.820 0.012 0.000 1.972 262 A HA -0.240 4.100 4.320 0.033 0.000 0.219 262 A C 2.002 179.592 177.584 0.009 0.000 1.169 262 A CA 1.816 53.860 52.037 0.011 0.000 0.635 262 A CB -0.546 18.461 19.000 0.011 0.000 0.810 262 A HN 0.434 nan 8.150 nan 0.000 0.446 263 E N 0.119 120.325 120.200 0.009 0.000 2.072 263 E HA 0.034 4.403 4.350 0.033 0.000 0.190 263 E C 1.961 178.566 176.600 0.008 0.000 0.982 263 E CA 1.340 57.745 56.400 0.008 0.000 0.803 263 E CB -0.408 29.297 29.700 0.008 0.000 0.755 263 E HN 0.425 nan 8.360 nan 0.000 0.453 264 A N 0.589 123.413 122.820 0.007 0.000 1.883 264 A HA -0.233 4.107 4.320 0.033 0.000 0.217 264 A C 2.474 180.062 177.584 0.007 0.000 1.186 264 A CA 2.185 54.226 52.037 0.006 0.000 0.624 264 A CB -1.304 17.699 19.000 0.005 0.000 0.822 264 A HN 0.396 nan 8.150 nan 0.000 0.444 265 S N -0.396 115.308 115.700 0.008 0.000 2.359 265 S HA -0.242 4.247 4.470 0.033 0.000 0.224 265 S C 2.175 176.780 174.600 0.008 0.000 1.035 265 S CA 1.595 59.799 58.200 0.008 0.000 1.018 265 S CB -0.446 62.760 63.200 0.009 0.000 0.876 265 S HN 0.604 nan 8.310 nan 0.000 0.448 266 R N 0.376 120.881 120.500 0.008 0.000 2.091 266 R HA 0.012 4.372 4.340 0.033 0.000 0.238 266 R C 2.523 178.827 176.300 0.008 0.000 1.136 266 R CA 1.662 57.767 56.100 0.008 0.000 0.959 266 R CB -0.304 30.001 30.300 0.008 0.000 0.856 266 R HN 0.454 nan 8.270 nan 0.000 0.437 267 R N -0.492 120.013 120.500 0.008 0.000 2.313 267 R HA 0.052 4.412 4.340 0.033 0.000 0.199 267 R C 0.927 177.232 176.300 0.008 0.000 0.958 267 R CA 0.533 56.637 56.100 0.008 0.000 1.047 267 R CB 0.393 30.698 30.300 0.008 0.000 0.955 267 R HN 0.417 nan 8.270 nan 0.000 0.481 268 G N 1.562 110.366 108.800 0.008 0.000 2.147 268 G HA2 -0.277 3.703 3.960 0.033 0.000 0.244 268 G HA3 -0.277 3.703 3.960 0.033 0.000 0.244 268 G C 0.092 174.998 174.900 0.009 0.000 1.005 268 G CA -0.170 44.935 45.100 0.008 0.000 0.713 268 G HN 0.247 nan 8.290 nan 0.000 0.515 269 I N 0.264 120.839 120.570 0.008 0.000 2.395 269 I HA 0.268 4.457 4.170 0.033 0.000 0.289 269 I C 0.560 176.680 176.117 0.005 0.000 1.023 269 I CA -0.666 60.639 61.300 0.008 0.000 1.350 269 I CB 1.475 39.479 38.000 0.007 0.000 1.409 269 I HN -0.005 nan 8.210 nan 0.000 0.507 270 Q N 8.841 128.644 119.800 0.005 0.000 2.406 270 Q HA 0.370 4.729 4.340 0.033 0.000 0.242 270 Q C -2.424 173.571 176.000 -0.009 0.000 1.036 270 Q CA -2.233 53.570 55.803 0.001 0.000 0.904 270 Q CB 0.551 29.291 28.738 0.004 0.000 1.244 270 Q HN 0.234 nan 8.270 nan 0.000 0.478 271 P HA 0.061 nan 4.420 nan 0.000 0.274 271 P C 0.271 177.540 177.300 -0.051 0.000 1.237 271 P CA -0.571 62.512 63.100 -0.027 0.000 0.793 271 P CB 0.834 32.524 31.700 -0.017 0.000 0.977 272 L N 0.172 121.342 121.223 -0.087 0.000 2.376 272 L HA 0.254 4.614 4.340 0.033 0.000 0.219 272 L C 1.250 178.066 176.870 -0.091 0.000 1.133 272 L CA 1.226 55.979 54.840 -0.145 0.000 0.816 272 L CB -1.657 40.246 42.059 -0.260 0.000 0.933 272 L HN 0.733 nan 8.230 nan 0.000 0.449 273 G N -1.048 107.723 108.800 -0.047 0.000 2.328 273 G HA2 0.248 4.228 3.960 0.033 0.000 0.299 273 G HA3 0.248 4.228 3.960 0.033 0.000 0.299 273 G C -1.286 173.619 174.900 0.009 0.000 1.435 273 G CA -0.967 44.128 45.100 -0.010 0.000 0.865 273 G HN -0.012 nan 8.290 nan 0.000 0.601 274 R N 0.265 120.787 120.500 0.037 0.000 2.393 274 R HA 0.636 4.996 4.340 0.033 0.000 0.310 274 R C -0.279 176.051 176.300 0.049 0.000 0.968 274 R CA -0.861 55.264 56.100 0.042 0.000 0.867 274 R CB 0.822 31.154 30.300 0.053 0.000 1.124 274 R HN 0.413 nan 8.270 nan 0.000 0.450 275 I N 6.316 126.905 120.570 0.033 0.000 2.406 275 I HA -0.032 4.157 4.170 0.033 0.000 0.293 275 I C 1.407 177.536 176.117 0.019 0.000 1.101 275 I CA -0.091 61.229 61.300 0.033 0.000 1.334 275 I CB 1.544 39.562 38.000 0.031 0.000 1.421 275 I HN 0.624 nan 8.210 nan 0.000 0.513 276 V N 4.938 124.837 119.914 -0.025 0.000 2.878 276 V HA 0.101 4.240 4.120 0.033 0.000 0.250 276 V C 0.738 176.748 176.094 -0.141 0.000 1.075 276 V CA 1.473 63.706 62.300 -0.112 0.000 1.096 276 V CB 0.204 31.917 31.823 -0.183 0.000 0.724 276 V HN 0.839 nan 8.190 nan 0.000 0.467 277 S N -0.831 114.813 115.700 -0.093 0.000 2.627 277 S HA 0.550 5.039 4.470 0.033 0.000 0.268 277 S C -1.363 173.304 174.600 0.112 0.000 1.130 277 S CA -0.311 57.864 58.200 -0.042 0.000 0.819 277 S CB 1.035 64.104 63.200 -0.218 0.000 1.100 277 S HN 1.259 nan 8.310 nan 0.000 0.465 278 W N 0.231 121.489 121.300 -0.069 0.000 3.042 278 W HA 0.874 5.557 4.660 0.039 0.000 0.342 278 W C -1.516 174.991 176.519 -0.020 0.000 1.240 278 W CA -0.887 56.438 57.345 -0.033 0.000 1.166 278 W CB 0.957 30.409 29.460 -0.014 0.000 1.469 278 W HN 1.566 nan 8.180 nan 0.000 0.579 279 A N 0.966 123.649 122.820 -0.229 0.000 2.605 279 A HA 0.656 4.995 4.320 0.033 0.000 0.294 279 A C -1.654 175.888 177.584 -0.071 0.000 1.062 279 A CA -0.436 51.281 52.037 -0.534 0.000 0.682 279 A CB 1.596 20.407 19.000 -0.315 0.000 1.278 279 A HN 0.783 nan 8.150 nan 0.000 0.410 280 T N 0.502 114.995 114.554 -0.102 0.000 2.921 280 T HA 0.644 5.014 4.350 0.033 0.000 0.297 280 T C -1.518 173.198 174.700 0.027 0.000 1.013 280 T CA -0.243 61.920 62.100 0.106 0.000 0.990 280 T CB 0.927 69.974 68.868 0.299 0.000 1.023 280 T HN 1.237 nan 8.240 nan 0.000 0.447 281 V N 3.064 123.002 119.914 0.040 0.000 3.049 281 V HA 0.862 5.002 4.120 0.033 0.000 0.309 281 V C 0.729 176.846 176.094 0.039 0.000 1.148 281 V CA -0.845 61.467 62.300 0.020 0.000 0.990 281 V CB 2.303 34.126 31.823 -0.000 0.000 1.039 281 V HN 1.037 nan 8.190 nan 0.000 0.430 282 G N 0.733 109.551 108.800 0.030 0.000 2.462 282 G HA2 0.779 4.759 3.960 0.033 0.000 0.319 282 G HA3 0.779 4.759 3.960 0.033 0.000 0.319 282 G C -0.706 174.211 174.900 0.028 0.000 1.171 282 G CA -0.239 44.882 45.100 0.035 0.000 0.920 282 G HN 1.290 nan 8.290 nan 0.000 0.499 283 V N -2.139 117.796 119.914 0.036 0.000 3.181 283 V HA 0.572 4.712 4.120 0.033 0.000 0.308 283 V C -0.597 175.518 176.094 0.036 0.000 1.214 283 V CA -1.320 61.001 62.300 0.036 0.000 1.053 283 V CB 1.795 33.647 31.823 0.048 0.000 1.069 283 V HN 0.628 nan 8.190 nan 0.000 0.441 284 D N 1.810 122.231 120.400 0.035 0.000 2.531 284 D HA 0.152 4.812 4.640 0.033 0.000 0.239 284 D C -1.667 174.678 176.300 0.074 0.000 1.144 284 D CA -0.743 53.282 54.000 0.040 0.000 0.869 284 D CB 1.903 42.722 40.800 0.031 0.000 1.160 284 D HN 0.405 nan 8.370 nan 0.000 0.484 285 P HA -0.145 nan 4.420 nan 0.000 0.216 285 P C 1.002 178.410 177.300 0.181 0.000 1.150 285 P CA 1.474 64.698 63.100 0.206 0.000 0.843 285 P CB 0.244 32.170 31.700 0.377 0.000 0.787 286 K N -0.591 119.857 120.400 0.080 0.000 2.280 286 K HA -0.042 4.297 4.320 0.033 0.000 0.202 286 K C 0.876 177.487 176.600 0.019 0.000 1.047 286 K CA 1.245 57.523 56.287 -0.014 0.000 0.942 286 K CB -0.223 32.160 32.500 -0.194 0.000 0.739 286 K HN 0.164 nan 8.250 nan 0.000 0.457 287 V N -0.801 119.134 119.914 0.034 0.000 2.759 287 V HA 0.130 4.269 4.120 0.033 0.000 0.342 287 V C 0.963 177.088 176.094 0.052 0.000 1.228 287 V CA -0.561 61.760 62.300 0.036 0.000 1.302 287 V CB 0.002 31.859 31.823 0.057 0.000 1.496 287 V HN 0.135 nan 8.190 nan 0.000 0.628 288 M N 0.799 120.439 119.600 0.067 0.000 2.260 288 M HA 0.094 4.594 4.480 0.033 0.000 0.261 288 M C 1.766 178.107 176.300 0.070 0.000 1.066 288 M CA 2.611 57.960 55.300 0.083 0.000 1.082 288 M CB -1.379 31.288 32.600 0.111 0.000 1.388 288 M HN 0.316 nan 8.290 nan 0.000 0.419 289 G N 0.052 108.881 108.800 0.049 0.000 2.470 289 G HA2 -0.167 3.812 3.960 0.033 0.000 0.220 289 G HA3 -0.167 3.812 3.960 0.033 0.000 0.220 289 G C 1.557 176.455 174.900 -0.003 0.000 1.121 289 G CA 1.233 46.352 45.100 0.032 0.000 0.766 289 G HN 0.717 nan 8.290 nan 0.000 0.553 290 T N -1.781 112.779 114.554 0.010 0.000 3.113 290 T HA 0.231 4.601 4.350 0.033 0.000 0.256 290 T C 2.334 177.052 174.700 0.029 0.000 1.131 290 T CA 0.979 63.086 62.100 0.010 0.000 1.074 290 T CB 0.067 68.986 68.868 0.085 0.000 0.944 290 T HN 0.197 nan 8.240 nan 0.000 0.516 291 G N 3.196 112.023 108.800 0.045 0.000 2.624 291 G HA2 -0.245 3.734 3.960 0.033 0.000 0.221 291 G HA3 -0.245 3.734 3.960 0.033 0.000 0.221 291 G C -0.427 174.505 174.900 0.053 0.000 1.169 291 G CA 1.171 46.304 45.100 0.055 0.000 0.771 291 G HN 0.500 nan 8.290 nan 0.000 0.598 292 P HA -0.055 nan 4.420 nan 0.000 0.219 292 P C 1.816 179.142 177.300 0.044 0.000 1.146 292 P CA 0.733 63.880 63.100 0.077 0.000 0.808 292 P CB -0.076 31.690 31.700 0.109 0.000 0.779 293 I N 1.112 121.681 120.570 -0.000 0.000 2.072 293 I HA -0.159 4.031 4.170 0.033 0.000 0.235 293 I C -0.276 175.832 176.117 -0.014 0.000 1.058 293 I CA 2.116 63.395 61.300 -0.036 0.000 1.320 293 I CB -2.079 35.913 38.000 -0.014 0.000 1.047 293 I HN 0.028 nan 8.210 nan 0.000 0.397 294 P HA -0.175 nan 4.420 nan 0.000 0.217 294 P C 1.361 178.663 177.300 0.004 0.000 1.150 294 P CA 2.137 65.238 63.100 0.002 0.000 0.832 294 P CB -0.067 31.637 31.700 0.007 0.000 0.787 295 A N 0.348 123.182 122.820 0.023 0.000 1.902 295 A HA -0.134 4.205 4.320 0.033 0.000 0.217 295 A C 2.464 180.074 177.584 0.043 0.000 1.181 295 A CA 2.222 54.277 52.037 0.030 0.000 0.623 295 A CB -1.481 17.560 19.000 0.068 0.000 0.818 295 A HN 0.210 nan 8.150 nan 0.000 0.443 296 S N -0.388 115.359 115.700 0.079 0.000 2.368 296 S HA -0.126 4.364 4.470 0.033 0.000 0.224 296 S C 2.036 176.683 174.600 0.078 0.000 1.029 296 S CA 1.192 59.468 58.200 0.127 0.000 0.988 296 S CB -0.326 63.020 63.200 0.244 0.000 0.838 296 S HN 0.580 nan 8.310 nan 0.000 0.462 297 R N 1.190 121.706 120.500 0.027 0.000 2.091 297 R HA -0.061 4.299 4.340 0.033 0.000 0.238 297 R C 2.350 178.647 176.300 -0.006 0.000 1.136 297 R CA 1.219 57.325 56.100 0.009 0.000 0.959 297 R CB -0.218 30.073 30.300 -0.015 0.000 0.856 297 R HN 0.091 nan 8.270 nan 0.000 0.437 298 K N 0.984 121.367 120.400 -0.029 0.000 2.097 298 K HA -0.032 4.308 4.320 0.033 0.000 0.206 298 K C 1.764 178.302 176.600 -0.103 0.000 1.049 298 K CA 1.761 58.005 56.287 -0.071 0.000 0.933 298 K CB -0.418 32.027 32.500 -0.092 0.000 0.717 298 K HN 0.162 nan 8.250 nan 0.000 0.442 299 A N 0.820 123.592 122.820 -0.081 0.000 1.902 299 A HA -0.076 4.264 4.320 0.033 0.000 0.217 299 A C 2.395 179.912 177.584 -0.112 0.000 1.181 299 A CA 1.358 53.331 52.037 -0.106 0.000 0.623 299 A CB -0.527 18.458 19.000 -0.025 0.000 0.818 299 A HN 0.297 nan 8.150 nan 0.000 0.443 300 L N -1.003 120.208 121.223 -0.021 0.000 2.027 300 L HA -0.181 4.178 4.340 0.033 0.000 0.206 300 L C 2.662 179.515 176.870 -0.029 0.000 1.074 300 L CA 1.752 56.608 54.840 0.027 0.000 0.745 300 L CB -0.542 41.612 42.059 0.158 0.000 0.898 300 L HN 0.596 nan 8.230 nan 0.000 0.433 301 E N 0.545 120.730 120.200 -0.024 0.000 2.070 301 E HA -0.295 4.074 4.350 0.033 0.000 0.197 301 E C 2.334 178.883 176.600 -0.085 0.000 1.004 301 E CA 1.563 57.941 56.400 -0.037 0.000 0.805 301 E CB 0.030 29.706 29.700 -0.041 0.000 0.744 301 E HN 0.293 nan 8.360 nan 0.000 0.451 302 R N -0.463 119.957 120.500 -0.133 0.000 2.120 302 R HA -0.100 4.260 4.340 0.033 0.000 0.234 302 R C 2.255 178.428 176.300 -0.212 0.000 1.123 302 R CA 1.096 57.096 56.100 -0.166 0.000 0.975 302 R CB -0.175 30.000 30.300 -0.208 0.000 0.866 302 R HN 0.213 nan 8.270 nan 0.000 0.446 303 A N -0.531 122.090 122.820 -0.331 0.000 2.016 303 A HA 0.123 4.463 4.320 0.033 0.000 0.217 303 A C 1.535 178.879 177.584 -0.401 0.000 1.162 303 A CA 1.118 52.800 52.037 -0.592 0.000 0.662 303 A CB -0.150 18.125 19.000 -1.208 0.000 0.812 303 A HN 0.454 nan 8.150 nan 0.000 0.450 304 G N -3.499 105.214 108.800 -0.146 0.000 2.132 304 G HA2 -0.205 3.774 3.960 0.033 0.000 0.234 304 G HA3 -0.205 3.774 3.960 0.033 0.000 0.234 304 G C -0.313 174.767 174.900 0.300 0.000 0.989 304 G CA 0.146 45.283 45.100 0.062 0.000 0.676 304 G HN 0.340 nan 8.290 nan 0.000 0.522 305 W N 0.709 122.024 121.300 0.024 0.000 2.516 305 W HA 0.753 5.431 4.660 0.030 0.000 0.343 305 W C 0.587 177.128 176.519 0.037 0.000 1.094 305 W CA -1.574 55.791 57.345 0.033 0.000 1.250 305 W CB 0.895 30.381 29.460 0.044 0.000 1.308 305 W HN -0.009 nan 8.180 nan 0.000 0.588 306 K N 1.518 122.071 120.400 0.254 0.000 2.106 306 K HA 0.368 4.708 4.320 0.033 0.000 0.246 306 K C 1.259 177.967 176.600 0.179 0.000 0.987 306 K CA -0.774 55.609 56.287 0.160 0.000 0.904 306 K CB 1.581 34.138 32.500 0.095 0.000 1.071 306 K HN 0.286 nan 8.250 nan 0.000 0.453 307 I N 0.956 121.621 120.570 0.159 0.000 2.208 307 I HA -0.239 3.951 4.170 0.033 0.000 0.245 307 I C 2.112 178.335 176.117 0.178 0.000 1.097 307 I CA 1.691 63.113 61.300 0.203 0.000 1.363 307 I CB -0.399 37.693 38.000 0.154 0.000 1.051 307 I HN 0.913 nan 8.210 nan 0.000 0.413 308 G N 0.050 108.916 108.800 0.110 0.000 2.498 308 G HA2 -0.200 3.780 3.960 0.033 0.000 0.219 308 G HA3 -0.200 3.780 3.960 0.033 0.000 0.219 308 G C 1.171 176.081 174.900 0.018 0.000 1.119 308 G CA 0.608 45.751 45.100 0.071 0.000 0.766 308 G HN 0.315 nan 8.290 nan 0.000 0.552 309 D N 0.220 120.615 120.400 -0.009 0.000 2.269 309 D HA 0.022 4.681 4.640 0.033 0.000 0.208 309 D C 1.349 177.532 176.300 -0.194 0.000 0.963 309 D CA 0.108 54.022 54.000 -0.144 0.000 0.864 309 D CB 0.093 40.729 40.800 -0.274 0.000 0.936 309 D HN 0.258 nan 8.370 nan 0.000 0.505 310 L N 1.222 122.405 121.223 -0.066 0.000 2.461 310 L HA 0.040 4.400 4.340 0.033 0.000 0.272 310 L C 1.303 178.121 176.870 -0.086 0.000 1.197 310 L CA 0.020 54.811 54.840 -0.081 0.000 0.836 310 L CB 0.720 42.805 42.059 0.043 0.000 1.105 310 L HN -0.216 nan 8.230 nan 0.000 0.477 311 D N 1.300 121.635 120.400 -0.108 0.000 2.388 311 D HA 0.246 4.905 4.640 0.033 0.000 0.208 311 D C -0.262 175.991 176.300 -0.078 0.000 1.035 311 D CA 0.589 54.536 54.000 -0.088 0.000 0.875 311 D CB 1.044 41.786 40.800 -0.096 0.000 0.984 311 D HN 0.136 nan 8.370 nan 0.000 0.508 312 L N 0.324 121.495 121.223 -0.087 0.000 2.545 312 L HA 0.365 4.725 4.340 0.033 0.000 0.258 312 L C -1.759 175.023 176.870 -0.147 0.000 0.942 312 L CA -0.653 54.125 54.840 -0.102 0.000 0.855 312 L CB 2.490 44.510 42.059 -0.065 0.000 1.374 312 L HN -0.340 nan 8.230 nan 0.000 0.411 313 V N 2.605 122.380 119.914 -0.231 0.000 2.841 313 V HA 0.587 4.727 4.120 0.033 0.000 0.310 313 V C -1.028 174.926 176.094 -0.235 0.000 1.090 313 V CA -0.710 61.391 62.300 -0.332 0.000 0.930 313 V CB 2.138 33.480 31.823 -0.802 0.000 1.014 313 V HN 0.635 nan 8.190 nan 0.000 0.425 314 E N 2.985 123.093 120.200 -0.152 0.000 2.101 314 E HA 0.632 5.001 4.350 0.033 0.000 0.260 314 E C -0.502 176.068 176.600 -0.049 0.000 0.897 314 E CA -0.239 56.122 56.400 -0.065 0.000 0.744 314 E CB 1.902 31.599 29.700 -0.004 0.000 1.140 314 E HN 0.794 nan 8.360 nan 0.000 0.419 315 A N 4.149 126.957 122.820 -0.021 0.000 2.285 315 A HA 0.309 4.648 4.320 0.033 0.000 0.310 315 A C 0.106 177.733 177.584 0.072 0.000 1.266 315 A CA -0.801 51.277 52.037 0.069 0.000 0.832 315 A CB 0.324 19.424 19.000 0.167 0.000 1.163 315 A HN 0.445 nan 8.150 nan 0.000 0.499 316 N N 1.900 120.628 118.700 0.047 0.000 2.412 316 N HA 0.023 4.782 4.740 0.033 0.000 0.258 316 N C -0.142 175.356 175.510 -0.019 0.000 1.236 316 N CA 0.624 53.672 53.050 -0.004 0.000 0.882 316 N CB 0.407 38.867 38.487 -0.046 0.000 1.066 316 N HN 0.623 nan 8.380 nan 0.000 0.465 317 E N 2.693 122.879 120.200 -0.024 0.000 1.964 317 E HA 0.207 4.576 4.350 0.033 0.000 0.264 317 E C 0.512 177.010 176.600 -0.170 0.000 1.120 317 E CA -0.446 55.956 56.400 0.003 0.000 1.061 317 E CB 0.266 30.061 29.700 0.158 0.000 1.190 317 E HN 0.643 nan 8.360 nan 0.000 0.459 318 A N 2.712 125.382 122.820 -0.250 0.000 1.858 318 A HA -0.058 4.282 4.320 0.033 0.000 0.216 318 A C 0.340 177.516 177.584 -0.681 0.000 1.190 318 A CA 1.144 52.892 52.037 -0.482 0.000 0.617 318 A CB 0.036 18.898 19.000 -0.230 0.000 0.827 318 A HN 0.415 nan 8.150 nan 0.000 0.443 319 F N -4.052 115.874 119.950 -0.039 0.000 2.578 319 F HA 0.587 5.134 4.527 0.034 0.000 0.311 319 F C 1.028 176.785 175.800 -0.072 0.000 1.094 319 F CA -0.421 57.568 58.000 -0.018 0.000 0.923 319 F CB 1.736 40.713 39.000 -0.039 0.000 1.230 319 F HN 0.085 nan 8.300 nan 0.000 0.450 320 A N 1.747 124.643 122.820 0.127 0.000 1.978 320 A HA -0.012 4.327 4.320 0.033 0.000 0.220 320 A C 2.209 179.643 177.584 -0.251 0.000 1.170 320 A CA 2.057 54.023 52.037 -0.118 0.000 0.636 320 A CB -1.014 18.038 19.000 0.086 0.000 0.810 320 A HN 0.912 nan 8.150 nan 0.000 0.448 321 A N 0.341 123.118 122.820 -0.072 0.000 1.883 321 A HA -0.252 4.088 4.320 0.033 0.000 0.217 321 A C 2.156 179.607 177.584 -0.221 0.000 1.186 321 A CA 2.302 54.261 52.037 -0.130 0.000 0.624 321 A CB -0.643 18.303 19.000 -0.090 0.000 0.822 321 A HN 0.727 nan 8.150 nan 0.000 0.444 322 Q N -0.268 119.447 119.800 -0.142 0.000 2.123 322 Q HA 0.252 4.611 4.340 0.033 0.000 0.199 322 Q C 1.843 177.689 176.000 -0.256 0.000 0.966 322 Q CA 1.948 57.638 55.803 -0.189 0.000 0.845 322 Q CB -0.989 27.715 28.738 -0.058 0.000 0.907 322 Q HN 0.462 nan 8.270 nan 0.000 0.439 323 A N 0.505 123.165 122.820 -0.267 0.000 1.933 323 A HA -0.136 4.204 4.320 0.033 0.000 0.218 323 A C 2.303 179.621 177.584 -0.443 0.000 1.175 323 A CA 1.347 53.201 52.037 -0.305 0.000 0.628 323 A CB -1.107 17.692 19.000 -0.336 0.000 0.814 323 A HN 0.609 nan 8.150 nan 0.000 0.444 324 C N -0.972 117.957 119.300 -0.619 0.000 2.425 324 C HA 0.087 4.567 4.460 0.033 0.000 0.277 324 C C 3.283 178.018 174.990 -0.424 0.000 1.280 324 C CA 0.623 59.375 59.018 -0.442 0.000 1.744 324 C CB -1.383 26.147 27.740 -0.351 0.000 1.989 324 C HN 0.704 nan 8.230 nan 0.000 0.491 325 A N 0.509 122.953 122.820 -0.628 0.000 1.877 325 A HA -0.100 4.240 4.320 0.033 0.000 0.216 325 A C 2.321 179.323 177.584 -0.970 0.000 1.186 325 A CA 2.142 53.428 52.037 -1.251 0.000 0.620 325 A CB -0.886 17.140 19.000 -1.623 0.000 0.822 325 A HN 0.335 nan 8.150 nan 0.000 0.443 326 V N 1.098 120.688 119.914 -0.539 0.000 2.252 326 V HA -0.328 3.812 4.120 0.033 0.000 0.249 326 V C 2.385 178.319 176.094 -0.266 0.000 1.056 326 V CA 2.402 64.520 62.300 -0.303 0.000 1.022 326 V CB -1.056 30.706 31.823 -0.102 0.000 0.641 326 V HN 0.577 nan 8.190 nan 0.000 0.445 327 N N -0.048 118.586 118.700 -0.110 0.000 2.104 327 N HA -0.170 4.589 4.740 0.033 0.000 0.190 327 N C 1.823 177.263 175.510 -0.117 0.000 1.024 327 N CA 1.439 54.506 53.050 0.028 0.000 0.853 327 N CB -0.341 38.265 38.487 0.198 0.000 1.008 327 N HN 0.495 nan 8.380 nan 0.000 0.424 328 K N 0.616 120.929 120.400 -0.145 0.000 2.002 328 K HA -0.093 4.247 4.320 0.033 0.000 0.209 328 K C 1.708 178.313 176.600 0.009 0.000 1.048 328 K CA 1.174 57.445 56.287 -0.028 0.000 0.930 328 K CB -0.141 32.398 32.500 0.065 0.000 0.714 328 K HN 0.194 nan 8.250 nan 0.000 0.438 329 D N 0.635 121.017 120.400 -0.030 0.000 2.084 329 D HA -0.163 4.497 4.640 0.033 0.000 0.194 329 D C 1.943 178.176 176.300 -0.112 0.000 0.990 329 D CA 1.193 55.245 54.000 0.087 0.000 0.826 329 D CB 0.099 40.968 40.800 0.115 0.000 0.971 329 D HN 0.104 nan 8.370 nan 0.000 0.453 330 L N -0.047 120.964 121.223 -0.353 0.000 2.046 330 L HA -0.074 4.286 4.340 0.033 0.000 0.208 330 L C 1.975 178.580 176.870 -0.442 0.000 1.077 330 L CA 1.188 55.675 54.840 -0.588 0.000 0.747 330 L CB -0.510 40.725 42.059 -1.372 0.000 0.896 330 L HN 0.325 nan 8.230 nan 0.000 0.432 331 G N -0.944 107.645 108.800 -0.352 0.000 2.148 331 G HA2 -0.253 3.726 3.960 0.033 0.000 0.254 331 G HA3 -0.253 3.726 3.960 0.033 0.000 0.254 331 G C -0.101 174.805 174.900 0.010 0.000 0.981 331 G CA 0.197 45.230 45.100 -0.112 0.000 0.670 331 G HN 0.357 nan 8.290 nan 0.000 0.528 332 W N 0.556 121.880 121.300 0.039 0.000 2.126 332 W HA 0.622 5.303 4.660 0.035 0.000 0.346 332 W C 0.124 176.663 176.519 0.034 0.000 1.279 332 W CA -2.343 55.024 57.345 0.036 0.000 1.259 332 W CB 0.184 29.668 29.460 0.040 0.000 1.133 332 W HN 0.090 nan 8.180 nan 0.000 0.592 333 D N 3.626 124.204 120.400 0.296 0.000 2.412 333 D HA -0.003 4.657 4.640 0.033 0.000 0.257 333 D C -0.902 175.493 176.300 0.157 0.000 1.217 333 D CA -1.642 52.461 54.000 0.171 0.000 0.897 333 D CB 1.125 41.983 40.800 0.096 0.000 1.132 333 D HN 0.139 nan 8.370 nan 0.000 0.493 334 P HA -0.165 nan 4.420 nan 0.000 0.221 334 P C 1.116 178.444 177.300 0.047 0.000 1.145 334 P CA 0.847 64.029 63.100 0.137 0.000 0.795 334 P CB 0.056 31.853 31.700 0.162 0.000 0.775 335 S N 0.119 115.836 115.700 0.028 0.000 2.522 335 S HA -0.061 4.429 4.470 0.033 0.000 0.227 335 S C 1.717 176.298 174.600 -0.031 0.000 0.986 335 S CA 0.352 58.550 58.200 -0.004 0.000 0.929 335 S CB -1.394 61.806 63.200 0.000 0.000 0.769 335 S HN 0.359 nan 8.310 nan 0.000 0.529 336 I N -0.889 119.654 120.570 -0.046 0.000 3.891 336 I HA 0.488 4.678 4.170 0.033 0.000 0.331 336 I C -0.736 175.289 176.117 -0.153 0.000 1.406 336 I CA -0.584 60.664 61.300 -0.086 0.000 1.139 336 I CB 0.430 38.382 38.000 -0.080 0.000 1.056 336 I HN -0.031 nan 8.210 nan 0.000 0.399 337 V N 2.116 121.945 119.914 -0.142 0.000 2.495 337 V HA 0.367 4.506 4.120 0.033 0.000 0.298 337 V C -0.150 175.888 176.094 -0.094 0.000 1.031 337 V CA -0.705 61.481 62.300 -0.190 0.000 0.871 337 V CB 1.074 32.763 31.823 -0.223 0.000 0.988 337 V HN 0.497 nan 8.190 nan 0.000 0.432 338 N N 2.694 121.347 118.700 -0.079 0.000 2.667 338 N HA -0.146 4.613 4.740 0.033 0.000 0.263 338 N C 0.688 176.174 175.510 -0.040 0.000 1.038 338 N CA 0.734 53.765 53.050 -0.032 0.000 0.749 338 N CB -0.755 37.724 38.487 -0.014 0.000 0.892 338 N HN 0.489 nan 8.380 nan 0.000 0.546 339 V N -0.185 119.706 119.914 -0.039 0.000 2.809 339 V HA -0.110 4.030 4.120 0.033 0.000 0.256 339 V C 1.275 177.343 176.094 -0.043 0.000 1.080 339 V CA 1.373 63.645 62.300 -0.048 0.000 1.102 339 V CB -0.050 31.743 31.823 -0.049 0.000 0.705 339 V HN 0.493 nan 8.190 nan 0.000 0.475 340 N N 0.504 119.204 118.700 -0.001 0.000 2.321 340 N HA 0.349 5.108 4.740 0.033 0.000 0.242 340 N C 0.560 176.148 175.510 0.130 0.000 1.141 340 N CA 0.879 53.934 53.050 0.009 0.000 0.864 340 N CB 0.899 39.375 38.487 -0.017 0.000 1.100 340 N HN 0.463 nan 8.380 nan 0.000 0.510 341 G N -0.977 107.853 108.800 0.051 0.000 2.756 341 G HA2 0.126 4.106 3.960 0.033 0.000 0.678 341 G HA3 0.126 4.106 3.960 0.033 0.000 0.678 341 G C -0.230 174.700 174.900 0.050 0.000 1.349 341 G CA -0.580 44.539 45.100 0.031 0.000 0.847 341 G HN 0.494 nan 8.290 nan 0.000 0.548 342 G N -2.089 106.720 108.800 0.015 0.000 3.086 342 G HA2 0.828 4.808 3.960 0.033 0.000 0.282 342 G HA3 0.828 4.808 3.960 0.033 0.000 0.282 342 G C 1.147 176.067 174.900 0.033 0.000 1.343 342 G CA 1.033 46.152 45.100 0.031 0.000 0.895 342 G HN 2.059 nan 8.290 nan 0.000 0.557 343 A N -0.726 122.108 122.820 0.024 0.000 2.024 343 A HA 0.010 4.350 4.320 0.033 0.000 0.220 343 A C 2.272 179.906 177.584 0.083 0.000 1.164 343 A CA 1.501 53.555 52.037 0.028 0.000 0.643 343 A CB -0.608 18.344 19.000 -0.080 0.000 0.806 343 A HN 0.515 nan 8.150 nan 0.000 0.451 344 I N -0.647 119.967 120.570 0.075 0.000 2.264 344 I HA -0.302 3.887 4.170 0.033 0.000 0.248 344 I C 2.819 178.986 176.117 0.084 0.000 1.111 344 I CA 1.222 62.584 61.300 0.103 0.000 1.382 344 I CB -0.174 37.886 38.000 0.100 0.000 1.060 344 I HN 0.385 nan 8.210 nan 0.000 0.418 345 A N 0.291 123.129 122.820 0.030 0.000 1.911 345 A HA 0.071 4.410 4.320 0.033 0.000 0.212 345 A C 2.208 179.820 177.584 0.047 0.000 1.189 345 A CA 0.772 52.783 52.037 -0.043 0.000 0.639 345 A CB -0.404 18.575 19.000 -0.036 0.000 0.839 345 A HN 0.303 nan 8.150 nan 0.000 0.449 346 I N -1.227 119.404 120.570 0.101 0.000 2.480 346 I HA 0.248 4.438 4.170 0.033 0.000 0.251 346 I C 1.271 177.515 176.117 0.212 0.000 1.124 346 I CA 1.045 62.397 61.300 0.086 0.000 1.444 346 I CB -0.010 37.955 38.000 -0.058 0.000 1.098 346 I HN 0.503 nan 8.210 nan 0.000 0.428 347 G N -0.059 108.888 108.800 0.245 0.000 2.381 347 G HA2 -0.080 3.900 3.960 0.033 0.000 0.672 347 G HA3 -0.080 3.900 3.960 0.033 0.000 0.672 347 G C -1.244 173.721 174.900 0.108 0.000 1.324 347 G CA -0.793 44.376 45.100 0.114 0.000 0.975 347 G HN 0.250 nan 8.290 nan 0.000 0.593 348 H N 0.973 119.977 119.070 -0.111 0.000 2.490 348 H HA 0.499 5.074 4.556 0.031 0.000 0.230 348 H C -2.402 172.873 175.328 -0.087 0.000 1.417 348 H CA -1.733 54.262 56.048 -0.087 0.000 1.449 348 H CB 1.340 31.039 29.762 -0.105 0.000 1.649 348 H HN 0.403 nan 8.280 nan 0.000 0.519 349 P HA 0.045 nan 4.420 nan 0.000 0.263 349 P C 1.356 178.507 177.300 -0.249 0.000 1.601 349 P CA 0.067 63.065 63.100 -0.169 0.000 1.161 349 P CB 0.034 31.690 31.700 -0.073 0.000 1.730 350 I N 2.425 122.739 120.570 -0.426 0.000 3.187 350 I HA -0.401 3.789 4.170 0.033 0.000 0.193 350 I C 2.506 178.521 176.117 -0.170 0.000 0.840 350 I CA 2.371 63.431 61.300 -0.400 0.000 1.121 350 I CB -1.733 36.104 38.000 -0.270 0.000 0.859 350 I HN 0.296 nan 8.210 nan 0.000 0.334 351 G N -0.521 108.211 108.800 -0.114 0.000 2.448 351 G HA2 -0.096 3.884 3.960 0.033 0.000 0.219 351 G HA3 -0.096 3.884 3.960 0.033 0.000 0.219 351 G C 1.623 176.489 174.900 -0.057 0.000 1.127 351 G CA 0.908 45.967 45.100 -0.068 0.000 0.766 351 G HN 0.638 nan 8.290 nan 0.000 0.552 352 A N 0.067 122.850 122.820 -0.062 0.000 2.132 352 A HA 0.335 4.675 4.320 0.033 0.000 0.213 352 A C 2.531 180.111 177.584 -0.008 0.000 1.154 352 A CA 1.414 53.425 52.037 -0.043 0.000 0.753 352 A CB -0.191 18.777 19.000 -0.053 0.000 0.826 352 A HN 0.226 nan 8.150 nan 0.000 0.469 353 S N 0.118 115.831 115.700 0.020 0.000 2.374 353 S HA -0.152 4.337 4.470 0.033 0.000 0.227 353 S C 2.024 176.666 174.600 0.071 0.000 1.037 353 S CA 1.476 59.731 58.200 0.090 0.000 1.024 353 S CB -0.500 62.859 63.200 0.266 0.000 0.861 353 S HN 0.765 nan 8.310 nan 0.000 0.456 354 G N 0.517 109.352 108.800 0.057 0.000 2.422 354 G HA2 0.026 4.005 3.960 0.033 0.000 0.218 354 G HA3 0.026 4.005 3.960 0.033 0.000 0.218 354 G C 1.387 176.306 174.900 0.030 0.000 1.140 354 G CA 0.845 45.973 45.100 0.047 0.000 0.775 354 G HN 0.585 nan 8.290 nan 0.000 0.545 355 A N -0.028 122.800 122.820 0.014 0.000 2.030 355 A HA 0.229 4.568 4.320 0.033 0.000 0.215 355 A C 2.318 179.920 177.584 0.029 0.000 1.164 355 A CA 1.070 53.113 52.037 0.010 0.000 0.697 355 A CB -0.234 18.758 19.000 -0.014 0.000 0.827 355 A HN 0.201 nan 8.150 nan 0.000 0.457 356 R N 1.075 121.592 120.500 0.027 0.000 2.066 356 R HA -0.096 4.264 4.340 0.033 0.000 0.232 356 R C 1.971 178.299 176.300 0.048 0.000 1.131 356 R CA 1.965 58.084 56.100 0.031 0.000 0.955 356 R CB -0.696 29.615 30.300 0.018 0.000 0.851 356 R HN 0.721 nan 8.270 nan 0.000 0.432 357 I N -1.745 118.853 120.570 0.048 0.000 2.546 357 I HA -0.147 4.043 4.170 0.033 0.000 0.255 357 I C 2.326 178.480 176.117 0.062 0.000 1.163 357 I CA 0.984 62.316 61.300 0.054 0.000 1.457 357 I CB -0.404 37.623 38.000 0.045 0.000 1.092 357 I HN 0.054 nan 8.210 nan 0.000 0.434 358 L N 1.468 122.724 121.223 0.056 0.000 2.046 358 L HA -0.187 4.173 4.340 0.033 0.000 0.208 358 L C 2.486 179.400 176.870 0.074 0.000 1.077 358 L CA 1.665 56.535 54.840 0.050 0.000 0.747 358 L CB -0.605 41.474 42.059 0.033 0.000 0.896 358 L HN 0.415 nan 8.230 nan 0.000 0.432 359 N N -0.819 117.949 118.700 0.113 0.000 2.069 359 N HA -0.196 4.564 4.740 0.033 0.000 0.191 359 N C 1.560 177.248 175.510 0.297 0.000 1.031 359 N CA 2.217 55.404 53.050 0.229 0.000 0.852 359 N CB -0.116 38.515 38.487 0.240 0.000 1.018 359 N HN 0.389 nan 8.380 nan 0.000 0.423 360 T N 2.837 117.517 114.554 0.209 0.000 2.684 360 T HA -0.119 4.251 4.350 0.033 0.000 0.267 360 T C 1.989 176.792 174.700 0.173 0.000 1.036 360 T CA 0.568 62.802 62.100 0.223 0.000 1.148 360 T CB -0.333 68.650 68.868 0.191 0.000 0.863 360 T HN 0.188 nan 8.240 nan 0.000 0.436 361 L N 0.682 121.968 121.223 0.104 0.000 1.989 361 L HA -0.089 4.270 4.340 0.033 0.000 0.211 361 L C 2.472 179.364 176.870 0.036 0.000 1.071 361 L CA 1.727 56.601 54.840 0.055 0.000 0.749 361 L CB -0.590 41.488 42.059 0.033 0.000 0.890 361 L HN 0.329 nan 8.230 nan 0.000 0.431 362 L N -1.152 120.071 121.223 -0.000 0.000 2.043 362 L HA -0.300 4.060 4.340 0.033 0.000 0.212 362 L C 2.497 179.259 176.870 -0.180 0.000 1.075 362 L CA 1.541 56.301 54.840 -0.132 0.000 0.752 362 L CB -0.639 41.251 42.059 -0.281 0.000 0.891 362 L HN 0.175 nan 8.230 nan 0.000 0.432 363 F N -0.151 119.821 119.950 0.037 0.000 2.367 363 F HA -0.131 4.396 4.527 0.001 0.000 0.298 363 F C 2.557 178.369 175.800 0.021 0.000 1.094 363 F CA 1.125 59.146 58.000 0.034 0.000 1.409 363 F CB -0.155 38.877 39.000 0.054 0.000 1.064 363 F HN 0.065 nan 8.300 nan 0.000 0.528 364 E N 0.190 120.484 120.200 0.158 0.000 2.112 364 E HA -0.130 4.240 4.350 0.033 0.000 0.190 364 E C 2.131 178.751 176.600 0.033 0.000 0.979 364 E CA 1.191 57.637 56.400 0.078 0.000 0.814 364 E CB -0.238 29.497 29.700 0.058 0.000 0.762 364 E HN 0.318 nan 8.360 nan 0.000 0.460 365 M N 0.141 119.749 119.600 0.013 0.000 2.108 365 M HA -0.169 4.330 4.480 0.033 0.000 0.261 365 M C 2.331 178.623 176.300 -0.012 0.000 1.066 365 M CA 1.902 57.196 55.300 -0.011 0.000 1.107 365 M CB -0.224 32.363 32.600 -0.023 0.000 1.356 365 M HN -0.005 nan 8.290 nan 0.000 0.406 366 K N 0.276 120.666 120.400 -0.016 0.000 2.025 366 K HA -0.160 4.179 4.320 0.033 0.000 0.207 366 K C 2.109 178.722 176.600 0.022 0.000 1.049 366 K CA 1.359 57.642 56.287 -0.007 0.000 0.933 366 K CB -0.099 32.387 32.500 -0.024 0.000 0.714 366 K HN 0.110 nan 8.250 nan 0.000 0.438 367 R N 0.600 121.128 120.500 0.047 0.000 2.091 367 R HA -0.131 4.229 4.340 0.033 0.000 0.238 367 R C 2.200 178.506 176.300 0.010 0.000 1.136 367 R CA 2.104 58.224 56.100 0.034 0.000 0.959 367 R CB -0.059 30.263 30.300 0.038 0.000 0.856 367 R HN 0.340 nan 8.270 nan 0.000 0.437 368 R N -1.411 119.089 120.500 0.000 0.000 2.300 368 R HA 0.183 4.542 4.340 0.033 0.000 0.199 368 R C 0.801 177.092 176.300 -0.014 0.000 0.920 368 R CA 0.679 56.772 56.100 -0.011 0.000 1.046 368 R CB 0.318 30.607 30.300 -0.018 0.000 0.984 368 R HN 0.232 nan 8.270 nan 0.000 0.493 369 G N 0.793 109.586 108.800 -0.012 0.000 2.182 369 G HA2 -0.277 3.703 3.960 0.033 0.000 0.248 369 G HA3 -0.277 3.703 3.960 0.033 0.000 0.248 369 G C 0.151 175.035 174.900 -0.026 0.000 1.042 369 G CA -0.016 45.074 45.100 -0.016 0.000 0.775 369 G HN 0.669 nan 8.290 nan 0.000 0.501 370 A N -0.467 122.336 122.820 -0.029 0.000 2.450 370 A HA 0.689 5.029 4.320 0.033 0.000 0.255 370 A C 1.366 178.924 177.584 -0.044 0.000 1.096 370 A CA 0.668 52.680 52.037 -0.041 0.000 0.778 370 A CB 0.292 19.267 19.000 -0.042 0.000 1.031 370 A HN 0.568 nan 8.150 nan 0.000 0.494 371 R N 1.386 121.846 120.500 -0.066 0.000 2.105 371 R HA 0.080 4.440 4.340 0.033 0.000 0.214 371 R C -0.145 176.104 176.300 -0.085 0.000 1.091 371 R CA 0.776 56.834 56.100 -0.070 0.000 1.007 371 R CB 0.010 30.252 30.300 -0.098 0.000 0.912 371 R HN 0.631 nan 8.270 nan 0.000 0.450 372 K N 0.722 121.026 120.400 -0.160 0.000 2.345 372 K HA 0.472 4.812 4.320 0.033 0.000 0.255 372 K C -0.568 176.000 176.600 -0.054 0.000 0.934 372 K CA -0.517 55.645 56.287 -0.208 0.000 0.801 372 K CB 2.367 34.407 32.500 -0.766 0.000 1.137 372 K HN 0.104 nan 8.250 nan 0.000 0.424 373 G N 1.721 110.588 108.800 0.111 0.000 2.730 373 G HA2 0.767 4.746 3.960 0.033 0.000 0.289 373 G HA3 0.767 4.746 3.960 0.033 0.000 0.289 373 G C -1.823 173.192 174.900 0.190 0.000 1.341 373 G CA -0.704 44.454 45.100 0.098 0.000 0.932 373 G HN 0.504 nan 8.290 nan 0.000 0.481 374 L N -0.207 121.072 121.223 0.093 0.000 2.482 374 L HA 0.814 5.173 4.340 0.033 0.000 0.263 374 L C -0.752 176.140 176.870 0.037 0.000 0.957 374 L CA -0.895 54.012 54.840 0.111 0.000 0.836 374 L CB 2.018 44.180 42.059 0.172 0.000 1.324 374 L HN 0.868 nan 8.230 nan 0.000 0.406 375 A N 2.698 125.560 122.820 0.071 0.000 2.343 375 A HA 0.812 5.151 4.320 0.033 0.000 0.316 375 A C -0.680 176.963 177.584 0.099 0.000 1.104 375 A CA -0.370 51.704 52.037 0.060 0.000 0.768 375 A CB 1.852 20.887 19.000 0.058 0.000 1.213 375 A HN 0.666 nan 8.150 nan 0.000 0.456 376 T N 1.493 116.109 114.554 0.103 0.000 2.894 376 T HA 0.658 5.028 4.350 0.033 0.000 0.309 376 T C -1.737 173.029 174.700 0.110 0.000 1.208 376 T CA -0.319 61.861 62.100 0.134 0.000 1.016 376 T CB 0.602 69.590 68.868 0.199 0.000 1.192 376 T HN 0.583 nan 8.240 nan 0.000 0.491 377 L N 2.883 124.169 121.223 0.104 0.000 2.409 377 L HA 0.696 5.056 4.340 0.033 0.000 0.262 377 L C 0.330 177.252 176.870 0.086 0.000 0.992 377 L CA -0.867 54.022 54.840 0.083 0.000 0.817 377 L CB 1.670 43.778 42.059 0.082 0.000 1.350 377 L HN 0.969 nan 8.230 nan 0.000 0.411 378 C N 0.600 119.943 119.300 0.072 0.000 2.443 378 C HA 0.864 5.344 4.460 0.033 0.000 0.369 378 C C 0.024 175.071 174.990 0.096 0.000 1.241 378 C CA -0.881 58.184 59.018 0.079 0.000 2.413 378 C CB -0.132 27.650 27.740 0.070 0.000 2.451 378 C HN 0.644 nan 8.230 nan 0.000 0.595 379 I N 1.663 122.294 120.570 0.101 0.000 2.569 379 I HA 0.483 4.673 4.170 0.033 0.000 0.290 379 I C 0.858 177.042 176.117 0.111 0.000 1.088 379 I CA -0.355 61.009 61.300 0.106 0.000 1.047 379 I CB 1.668 39.729 38.000 0.100 0.000 1.237 379 I HN 1.041 nan 8.210 nan 0.000 0.421 380 G N 2.794 111.658 108.800 0.107 0.000 2.305 380 G HA2 0.381 4.360 3.960 0.033 0.000 0.243 380 G HA3 0.381 4.360 3.960 0.033 0.000 0.243 380 G C 0.927 175.903 174.900 0.126 0.000 1.288 380 G CA 0.738 45.901 45.100 0.105 0.000 0.901 380 G HN 1.257 nan 8.290 nan 0.000 0.516 381 G N 0.460 109.366 108.800 0.176 0.000 2.176 381 G HA2 0.267 4.247 3.960 0.033 0.000 0.232 381 G HA3 0.267 4.247 3.960 0.033 0.000 0.232 381 G C 1.098 176.127 174.900 0.216 0.000 0.986 381 G CA 0.759 46.027 45.100 0.281 0.000 0.643 381 G HN 2.713 nan 8.290 nan 0.000 0.522 382 G N -0.643 108.250 108.800 0.155 0.000 2.520 382 G HA2 0.128 4.108 3.960 0.033 0.000 0.264 382 G HA3 0.128 4.108 3.960 0.033 0.000 0.264 382 G C -0.135 174.820 174.900 0.091 0.000 1.140 382 G CA 0.800 45.967 45.100 0.112 0.000 1.012 382 G HN 1.255 nan 8.290 nan 0.000 0.511 383 M N -0.779 118.876 119.600 0.093 0.000 2.618 383 M HA 0.732 5.232 4.480 0.033 0.000 0.281 383 M C 0.289 176.641 176.300 0.087 0.000 1.267 383 M CA -0.392 54.959 55.300 0.086 0.000 0.845 383 M CB 2.526 35.182 32.600 0.094 0.000 1.732 383 M HN 0.674 nan 8.290 nan 0.000 0.461 384 G N 0.204 109.056 108.800 0.086 0.000 2.612 384 G HA2 0.720 4.699 3.960 0.033 0.000 0.298 384 G HA3 0.720 4.699 3.960 0.033 0.000 0.298 384 G C -2.254 172.715 174.900 0.114 0.000 1.336 384 G CA -0.648 44.507 45.100 0.092 0.000 0.953 384 G HN 0.568 nan 8.290 nan 0.000 0.482 385 V N -0.034 119.960 119.914 0.133 0.000 2.789 385 V HA 0.931 5.070 4.120 0.033 0.000 0.311 385 V C -0.553 175.642 176.094 0.168 0.000 1.073 385 V CA -0.071 62.336 62.300 0.178 0.000 0.921 385 V CB 1.732 33.667 31.823 0.187 0.000 1.009 385 V HN 1.729 nan 8.190 nan 0.000 0.426 386 A N 6.582 129.519 122.820 0.195 0.000 2.572 386 A HA 0.921 5.260 4.320 0.033 0.000 0.295 386 A C -1.176 176.527 177.584 0.198 0.000 1.072 386 A CA -0.629 51.511 52.037 0.172 0.000 0.691 386 A CB 2.113 21.202 19.000 0.148 0.000 1.291 386 A HN 1.151 nan 8.150 nan 0.000 0.404 387 M N 1.414 121.112 119.600 0.163 0.000 2.326 387 M HA 0.516 5.016 4.480 0.033 0.000 0.292 387 M C -1.746 174.621 176.300 0.112 0.000 1.081 387 M CA -0.286 55.111 55.300 0.160 0.000 0.919 387 M CB 1.579 34.266 32.600 0.145 0.000 1.634 387 M HN 0.737 nan 8.290 nan 0.000 0.451 388 C N 4.953 124.282 119.300 0.049 0.000 2.365 388 C HA 0.729 5.208 4.460 0.033 0.000 0.351 388 C C -0.382 174.649 174.990 0.068 0.000 1.240 388 C CA -0.734 58.298 59.018 0.024 0.000 2.062 388 C CB 0.561 28.095 27.740 -0.344 0.000 2.387 388 C HN 0.619 nan 8.230 nan 0.000 0.537 389 I N 2.556 123.257 120.570 0.219 0.000 2.582 389 I HA 0.479 4.669 4.170 0.033 0.000 0.292 389 I C -0.194 176.113 176.117 0.317 0.000 1.066 389 I CA -0.297 61.116 61.300 0.188 0.000 1.053 389 I CB 1.632 39.698 38.000 0.111 0.000 1.241 389 I HN 0.750 nan 8.210 nan 0.000 0.421 390 E N 3.249 123.601 120.200 0.254 0.000 2.238 390 E HA 0.511 4.881 4.350 0.033 0.000 0.267 390 E C -0.488 176.178 176.600 0.110 0.000 0.887 390 E CA -0.470 56.075 56.400 0.242 0.000 0.769 390 E CB 1.868 31.762 29.700 0.323 0.000 1.187 390 E HN 0.672 nan 8.360 nan 0.000 0.416 391 S N 3.592 119.326 115.700 0.058 0.000 2.603 391 S HA 0.457 4.946 4.470 0.033 0.000 0.268 391 S C -0.025 174.590 174.600 0.025 0.000 1.317 391 S CA -0.635 57.579 58.200 0.023 0.000 1.012 391 S CB 0.670 63.870 63.200 -0.000 0.000 0.926 391 S HN 0.504 nan 8.310 nan 0.000 0.539 392 L N 0.000 121.231 121.223 0.013 0.000 2.949 392 L HA 0.000 4.360 4.340 0.033 0.000 0.249 392 L CA 0.000 54.849 54.840 0.015 0.000 0.813 392 L CB 0.000 42.068 42.059 0.015 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502