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 2gq8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTQSLFQPIT LGALTLKNRI VMPPMTRSRA SQPGDVANHM MAIYYAQRAS DATA SEQUENCE AGLIVSEGTQ ISPTAKGYAW TPGIYTPEQI AGWRIVTEAV HAKGCAIFAQ DATA SEQUENCE LWHVGRVTHP DNIDGQQPIS SSTLKAENVK VFVDNGSDEP GFVDVAVPRA DATA SEQUENCE MTKADIAQVI ADYRQAALNA MEAGFDGIEL HAANGYLINQ FIDSEANNRS DATA SEQUENCE DEYGGSLENR LRFLDEVVAA LVDAIGAERV GVRLAPLTTL NGTVDADPIL DATA SEQUENCE TYTAAAALLN KHRIVYLHIA EVDWDDAPDT PVSFKRALRE AYQGVLIYAG DATA SEQUENCE RYNAEKAEQA INDGLADMIG FGRPFIANPD LPERLRHGYP LAEHVPATLF DATA SEQUENCE GGGEKGLTDY PTYQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 T N -3.340 111.245 114.554 0.052 0.000 5.346 2 T HA -0.297 3.629 4.350 -0.706 0.000 0.270 2 T C 0.818 175.618 174.700 0.166 0.000 2.138 2 T CA 1.923 64.092 62.100 0.115 0.000 3.645 2 T CB -2.699 66.312 68.868 0.238 0.000 0.789 2 T HN 1.499 nan 8.240 nan 0.000 1.070 3 Q N 1.112 120.963 119.800 0.085 0.000 2.050 3 Q HA -0.080 3.836 4.340 -0.706 0.000 0.202 3 Q C 2.301 178.343 176.000 0.068 0.000 0.980 3 Q CA 2.105 57.956 55.803 0.080 0.000 0.840 3 Q CB -0.345 28.410 28.738 0.029 0.000 0.898 3 Q HN 0.786 nan 8.270 nan 0.000 0.424 4 S N 0.577 116.289 115.700 0.021 0.000 2.402 4 S HA -0.112 3.934 4.470 -0.706 0.000 0.229 4 S C 1.695 176.259 174.600 -0.060 0.000 1.021 4 S CA 0.717 58.909 58.200 -0.013 0.000 0.974 4 S CB -0.221 62.964 63.200 -0.025 0.000 0.800 4 S HN 0.345 nan 8.310 nan 0.000 0.484 5 L N 0.457 121.620 121.223 -0.100 0.000 2.191 5 L HA 0.075 3.991 4.340 -0.706 0.000 0.212 5 L C 0.761 177.321 176.870 -0.517 0.000 1.103 5 L CA 1.629 56.295 54.840 -0.290 0.000 0.769 5 L CB -0.422 41.434 42.059 -0.338 0.000 0.908 5 L HN 0.218 nan 8.230 nan 0.000 0.438 6 F N -0.802 119.127 119.950 -0.036 0.000 2.668 6 F HA 0.282 4.386 4.527 -0.704 0.000 0.297 6 F C 0.813 176.595 175.800 -0.030 0.000 1.124 6 F CA -0.530 57.447 58.000 -0.038 0.000 1.353 6 F CB -0.152 38.814 39.000 -0.056 0.000 0.992 6 F HN -0.002 nan 8.300 nan 0.000 0.524 7 Q N 2.270 122.087 119.800 0.028 0.000 2.235 7 Q HA 0.306 4.222 4.340 -0.706 0.000 0.250 7 Q C -2.252 173.745 176.000 -0.006 0.000 0.909 7 Q CA -1.930 53.884 55.803 0.019 0.000 0.910 7 Q CB 1.516 30.252 28.738 -0.003 0.000 1.223 7 Q HN 0.027 nan 8.270 nan 0.000 0.432 8 P HA 0.342 nan 4.420 nan 0.000 0.275 8 P C -0.537 176.750 177.300 -0.021 0.000 1.266 8 P CA -0.317 62.781 63.100 -0.003 0.000 0.793 8 P CB 1.223 32.929 31.700 0.011 0.000 1.074 9 I N -1.705 118.850 120.570 -0.025 0.000 2.842 9 I HA 0.225 3.971 4.170 -0.706 0.000 0.297 9 I C -1.040 175.065 176.117 -0.020 0.000 1.380 9 I CA -0.458 60.824 61.300 -0.031 0.000 1.018 9 I CB 2.290 40.257 38.000 -0.055 0.000 1.311 9 I HN 0.140 nan 8.210 nan 0.000 0.439 10 T N 7.007 121.554 114.554 -0.012 0.000 2.817 10 T HA 0.462 4.389 4.350 -0.706 0.000 0.293 10 T C -0.617 174.088 174.700 0.008 0.000 0.964 10 T CA -0.106 61.995 62.100 0.002 0.000 1.085 10 T CB 0.959 69.830 68.868 0.006 0.000 0.921 10 T HN 0.351 nan 8.240 nan 0.000 0.502 11 L N 4.086 125.325 121.223 0.026 0.000 2.417 11 L HA 0.581 4.497 4.340 -0.706 0.000 0.259 11 L C 0.720 177.648 176.870 0.097 0.000 1.023 11 L CA 0.676 55.548 54.840 0.053 0.000 0.901 11 L CB -0.238 41.835 42.059 0.023 0.000 1.227 11 L HN 0.918 nan 8.230 nan 0.000 0.454 12 G N 3.450 112.302 108.800 0.086 0.000 2.565 12 G HA2 -0.327 3.210 3.960 -0.706 0.000 0.295 12 G HA3 -0.327 3.210 3.960 -0.706 0.000 0.295 12 G C 0.715 175.652 174.900 0.062 0.000 1.165 12 G CA 0.366 45.517 45.100 0.084 0.000 0.977 12 G HN 1.324 nan 8.290 nan 0.000 0.546 13 A N -0.055 122.804 122.820 0.065 0.000 2.275 13 A HA 0.677 4.574 4.320 -0.706 0.000 0.212 13 A C 1.041 178.652 177.584 0.046 0.000 1.201 13 A CA 0.839 52.903 52.037 0.044 0.000 0.843 13 A CB -0.194 18.826 19.000 0.033 0.000 0.873 13 A HN 0.722 nan 8.150 nan 0.000 0.492 14 L N 0.217 121.480 121.223 0.066 0.000 2.344 14 L HA 0.497 4.414 4.340 -0.706 0.000 0.272 14 L C 0.208 177.103 176.870 0.042 0.000 1.035 14 L CA -0.624 54.253 54.840 0.062 0.000 0.807 14 L CB 1.955 44.075 42.059 0.102 0.000 1.237 14 L HN 0.202 nan 8.230 nan 0.000 0.442 15 T N 0.029 114.602 114.554 0.032 0.000 2.792 15 T HA 0.669 4.595 4.350 -0.706 0.000 0.280 15 T C -0.529 174.182 174.700 0.020 0.000 0.990 15 T CA -0.732 61.380 62.100 0.020 0.000 0.960 15 T CB 0.891 69.769 68.868 0.016 0.000 0.939 15 T HN 0.319 nan 8.240 nan 0.000 0.439 16 L N 2.468 123.694 121.223 0.005 0.000 2.343 16 L HA 0.620 4.537 4.340 -0.706 0.000 0.275 16 L C 1.928 178.802 176.870 0.006 0.000 1.056 16 L CA -1.108 53.731 54.840 -0.000 0.000 0.804 16 L CB 0.825 42.862 42.059 -0.036 0.000 1.203 16 L HN 0.922 nan 8.230 nan 0.000 0.440 17 K N 2.315 122.728 120.400 0.021 0.000 2.148 17 K HA -0.091 3.806 4.320 -0.706 0.000 0.204 17 K C 0.531 177.155 176.600 0.041 0.000 1.050 17 K CA 1.927 58.239 56.287 0.041 0.000 0.942 17 K CB -0.805 31.733 32.500 0.064 0.000 0.724 17 K HN 0.936 nan 8.250 nan 0.000 0.446 18 N N -3.241 115.459 118.700 0.001 0.000 3.277 18 N HA 0.301 4.617 4.740 -0.706 0.000 0.278 18 N C -0.400 175.041 175.510 -0.115 0.000 1.544 18 N CA -0.879 52.137 53.050 -0.057 0.000 0.869 18 N CB 0.661 39.099 38.487 -0.082 0.000 1.584 18 N HN -0.142 nan 8.380 nan 0.000 0.564 19 R N -0.289 120.097 120.500 -0.190 0.000 2.388 19 R HA 0.414 4.331 4.340 -0.706 0.000 0.247 19 R C -0.245 175.954 176.300 -0.168 0.000 0.931 19 R CA -0.186 55.807 56.100 -0.179 0.000 1.082 19 R CB -0.973 29.219 30.300 -0.180 0.000 1.135 19 R HN 0.611 nan 8.270 nan 0.000 0.525 20 I N 1.127 121.619 120.570 -0.131 0.000 2.365 20 I HA 0.164 3.910 4.170 -0.706 0.000 0.291 20 I C -0.051 176.091 176.117 0.042 0.000 1.004 20 I CA -0.681 60.627 61.300 0.014 0.000 1.311 20 I CB 1.719 39.733 38.000 0.024 0.000 1.401 20 I HN -0.341 nan 8.210 nan 0.000 0.491 21 V N 7.028 126.970 119.914 0.048 0.000 2.555 21 V HA 0.350 4.046 4.120 -0.706 0.000 0.302 21 V C -0.014 176.150 176.094 0.118 0.000 1.038 21 V CA -0.728 61.546 62.300 -0.044 0.000 0.887 21 V CB 1.890 33.543 31.823 -0.285 0.000 0.991 21 V HN 0.703 nan 8.190 nan 0.000 0.434 22 M N 8.496 128.081 119.600 -0.026 0.000 2.094 22 M HA 0.409 4.465 4.480 -0.706 0.000 0.348 22 M C -2.450 173.816 176.300 -0.056 0.000 1.267 22 M CA -1.703 53.513 55.300 -0.140 0.000 1.125 22 M CB 1.417 33.619 32.600 -0.662 0.000 1.527 22 M HN 0.408 nan 8.290 nan 0.000 0.447 23 P HA 0.248 nan 4.420 nan 0.000 0.272 23 P C -2.843 174.472 177.300 0.024 0.000 1.240 23 P CA -1.142 61.993 63.100 0.058 0.000 0.791 23 P CB -0.442 31.307 31.700 0.083 0.000 0.978 24 P HA 0.129 nan 4.420 nan 0.000 0.263 24 P C -0.522 176.754 177.300 -0.039 0.000 1.195 24 P CA 0.844 63.919 63.100 -0.041 0.000 0.762 24 P CB 0.175 31.766 31.700 -0.181 0.000 0.799 25 M N 2.127 121.765 119.600 0.063 0.000 2.122 25 M HA 0.153 4.209 4.480 -0.706 0.000 0.269 25 M C -0.134 176.263 176.300 0.162 0.000 0.954 25 M CA -0.289 55.053 55.300 0.071 0.000 0.998 25 M CB 1.980 34.618 32.600 0.064 0.000 1.755 25 M HN 0.113 nan 8.290 nan 0.000 0.459 26 T N 3.437 118.094 114.554 0.172 0.000 2.871 26 T HA 0.130 4.056 4.350 -0.706 0.000 0.296 26 T C 1.072 176.024 174.700 0.421 0.000 0.998 26 T CA 0.179 62.466 62.100 0.311 0.000 1.162 26 T CB 0.436 69.501 68.868 0.329 0.000 0.947 26 T HN 0.504 nan 8.240 nan 0.000 0.536 27 R N 1.212 121.922 120.500 0.349 0.000 2.487 27 R HA 0.218 4.134 4.340 -0.706 0.000 0.272 27 R C 0.678 177.210 176.300 0.387 0.000 0.928 27 R CA -0.239 56.003 56.100 0.237 0.000 1.077 27 R CB -0.155 30.097 30.300 -0.081 0.000 1.265 27 R HN 0.696 nan 8.270 nan 0.000 0.537 28 S N 1.931 117.926 115.700 0.493 0.000 3.524 28 S HA -0.139 3.907 4.470 -0.706 0.000 0.377 28 S C 0.664 175.513 174.600 0.416 0.000 0.949 28 S CA 0.608 59.149 58.200 0.568 0.000 1.264 28 S CB -0.624 63.084 63.200 0.847 0.000 0.918 28 S HN 0.282 nan 8.310 nan 0.000 0.517 29 R N -0.620 120.017 120.500 0.229 0.000 2.543 29 R HA 0.378 4.294 4.340 -0.706 0.000 0.323 29 R C 0.746 177.077 176.300 0.051 0.000 1.002 29 R CA 0.460 56.605 56.100 0.076 0.000 1.106 29 R CB -0.005 30.287 30.300 -0.013 0.000 1.280 29 R HN 0.553 nan 8.270 nan 0.000 0.549 30 A N 1.363 124.257 122.820 0.123 0.000 2.498 30 A HA 0.249 4.145 4.320 -0.706 0.000 0.239 30 A C 0.317 177.922 177.584 0.035 0.000 1.068 30 A CA 0.086 52.155 52.037 0.054 0.000 0.766 30 A CB 0.324 19.378 19.000 0.090 0.000 1.003 30 A HN 0.190 nan 8.150 nan 0.000 0.497 31 S N 1.756 117.446 115.700 -0.017 0.000 2.562 31 S HA 0.259 4.305 4.470 -0.706 0.000 0.281 31 S C 0.021 174.630 174.600 0.015 0.000 1.333 31 S CA -0.206 57.984 58.200 -0.018 0.000 1.052 31 S CB 0.319 63.502 63.200 -0.029 0.000 0.884 31 S HN 0.665 nan 8.310 nan 0.000 0.506 32 Q N 2.438 122.246 119.800 0.014 0.000 2.342 32 Q HA 0.523 4.440 4.340 -0.706 0.000 0.267 32 Q C -2.017 173.998 176.000 0.027 0.000 1.038 32 Q CA -1.698 54.135 55.803 0.049 0.000 0.832 32 Q CB 0.846 29.631 28.738 0.077 0.000 1.323 32 Q HN 0.526 nan 8.270 nan 0.000 0.448 33 P HA 0.539 nan 4.420 nan 0.000 0.280 33 P C 0.206 177.526 177.300 0.034 0.000 1.272 33 P CA -0.149 62.982 63.100 0.051 0.000 0.819 33 P CB 1.081 32.808 31.700 0.045 0.000 1.122 34 G N -0.370 108.454 108.800 0.040 0.000 2.218 34 G HA2 -0.190 3.346 3.960 -0.706 0.000 0.216 34 G HA3 -0.190 3.346 3.960 -0.706 0.000 0.216 34 G C -0.038 174.853 174.900 -0.014 0.000 0.994 34 G CA 0.126 45.229 45.100 0.005 0.000 0.637 34 G HN 0.613 nan 8.290 nan 0.000 0.505 35 D N -0.499 119.920 120.400 0.032 0.000 2.735 35 D HA -0.133 4.083 4.640 -0.706 0.000 0.235 35 D C 0.521 176.793 176.300 -0.047 0.000 1.175 35 D CA 1.370 55.395 54.000 0.042 0.000 0.683 35 D CB -1.404 39.438 40.800 0.071 0.000 1.008 35 D HN 0.917 nan 8.370 nan 0.000 0.416 36 V N -0.004 119.864 119.914 -0.078 0.000 2.427 36 V HA 0.646 4.342 4.120 -0.706 0.000 0.286 36 V C 1.083 177.029 176.094 -0.246 0.000 1.034 36 V CA -0.836 61.365 62.300 -0.165 0.000 0.893 36 V CB 1.801 33.548 31.823 -0.126 0.000 0.982 36 V HN 0.441 nan 8.190 nan 0.000 0.452 37 A N 4.862 127.397 122.820 -0.476 0.000 2.520 37 A HA 0.490 4.386 4.320 -0.706 0.000 0.235 37 A C 0.341 177.719 177.584 -0.342 0.000 1.065 37 A CA 0.193 51.858 52.037 -0.621 0.000 0.764 37 A CB -0.196 18.023 19.000 -1.301 0.000 1.002 37 A HN 1.154 nan 8.150 nan 0.000 0.502 38 N N -1.075 117.487 118.700 -0.230 0.000 3.278 38 N HA 0.271 4.587 4.740 -0.706 0.000 0.307 38 N C 0.558 176.009 175.510 -0.099 0.000 1.551 38 N CA -0.466 52.482 53.050 -0.170 0.000 0.794 38 N CB 0.203 38.651 38.487 -0.065 0.000 1.770 38 N HN 0.468 nan 8.380 nan 0.000 0.612 39 H N -0.004 119.056 119.070 -0.016 0.000 2.289 39 H HA -0.126 4.007 4.556 -0.706 0.000 0.296 39 H C 1.688 177.035 175.328 0.032 0.000 1.091 39 H CA 2.509 58.562 56.048 0.010 0.000 1.274 39 H CB -0.192 29.571 29.762 0.002 0.000 1.364 39 H HN 0.671 nan 8.280 nan 0.000 0.490 40 M N -0.249 119.447 119.600 0.160 0.000 2.213 40 M HA -0.098 3.959 4.480 -0.706 0.000 0.263 40 M C 2.173 178.543 176.300 0.117 0.000 1.062 40 M CA 1.764 57.125 55.300 0.102 0.000 1.105 40 M CB -0.464 32.160 32.600 0.042 0.000 1.385 40 M HN 0.031 nan 8.290 nan 0.000 0.417 41 M N 1.121 120.787 119.600 0.110 0.000 2.175 41 M HA -0.018 4.038 4.480 -0.706 0.000 0.264 41 M C 2.634 179.147 176.300 0.355 0.000 1.063 41 M CA 1.668 57.090 55.300 0.205 0.000 1.119 41 M CB -0.545 32.157 32.600 0.170 0.000 1.377 41 M HN 0.567 nan 8.290 nan 0.000 0.415 42 A N 0.650 123.613 122.820 0.238 0.000 1.902 42 A HA -0.127 3.769 4.320 -0.706 0.000 0.217 42 A C 2.081 179.789 177.584 0.205 0.000 1.181 42 A CA 1.429 53.601 52.037 0.224 0.000 0.623 42 A CB -0.859 18.207 19.000 0.110 0.000 0.818 42 A HN 0.447 nan 8.150 nan 0.000 0.443 43 I N -1.891 118.786 120.570 0.177 0.000 2.179 43 I HA -0.254 3.492 4.170 -0.706 0.000 0.242 43 I C 2.472 178.685 176.117 0.161 0.000 1.088 43 I CA 1.741 63.129 61.300 0.147 0.000 1.357 43 I CB -0.475 37.601 38.000 0.127 0.000 1.051 43 I HN 0.557 nan 8.210 nan 0.000 0.409 44 Y N 1.257 121.570 120.300 0.022 0.000 2.081 44 Y HA -0.360 3.757 4.550 -0.721 0.000 0.280 44 Y C 2.371 178.212 175.900 -0.098 0.000 1.163 44 Y CA 1.738 59.796 58.100 -0.070 0.000 1.135 44 Y CB -0.800 37.550 38.460 -0.184 0.000 0.970 44 Y HN 0.090 nan 8.280 nan 0.000 0.498 45 Y N -0.272 119.980 120.300 -0.080 0.000 2.220 45 Y HA -0.045 4.068 4.550 -0.729 0.000 0.291 45 Y C 2.720 178.531 175.900 -0.149 0.000 1.129 45 Y CA 1.237 59.201 58.100 -0.227 0.000 1.161 45 Y CB -1.109 37.330 38.460 -0.036 0.000 0.997 45 Y HN 0.240 nan 8.280 nan 0.000 0.522 46 A N -0.124 122.758 122.820 0.104 0.000 1.972 46 A HA -0.245 3.651 4.320 -0.706 0.000 0.219 46 A C 2.049 179.655 177.584 0.036 0.000 1.169 46 A CA 1.638 53.711 52.037 0.060 0.000 0.635 46 A CB -0.638 18.405 19.000 0.072 0.000 0.810 46 A HN 0.539 nan 8.150 nan 0.000 0.446 47 Q N -1.018 118.796 119.800 0.022 0.000 2.291 47 Q HA -0.066 3.851 4.340 -0.706 0.000 0.205 47 Q C 1.282 177.302 176.000 0.033 0.000 0.970 47 Q CA 1.021 56.846 55.803 0.037 0.000 0.876 47 Q CB -0.010 28.760 28.738 0.053 0.000 0.935 47 Q HN 0.606 nan 8.270 nan 0.000 0.455 48 R N -0.831 119.640 120.500 -0.049 0.000 2.546 48 R HA 0.259 4.176 4.340 -0.706 0.000 0.320 48 R C 1.083 177.353 176.300 -0.049 0.000 1.021 48 R CA 0.069 56.134 56.100 -0.059 0.000 1.088 48 R CB 0.597 30.655 30.300 -0.404 0.000 1.278 48 R HN 0.027 nan 8.270 nan 0.000 0.557 49 A N 0.903 123.729 122.820 0.010 0.000 2.239 49 A HA -0.083 3.813 4.320 -0.706 0.000 0.209 49 A C 1.835 179.464 177.584 0.074 0.000 1.171 49 A CA 1.080 53.133 52.037 0.027 0.000 0.768 49 A CB -0.235 18.786 19.000 0.035 0.000 0.790 49 A HN 0.326 nan 8.150 nan 0.000 0.478 50 S N -0.576 115.201 115.700 0.129 0.000 2.603 50 S HA 0.456 4.503 4.470 -0.706 0.000 0.220 50 S C 0.970 175.684 174.600 0.191 0.000 0.967 50 S CA 0.260 58.553 58.200 0.156 0.000 0.920 50 S CB -0.541 62.761 63.200 0.170 0.000 0.773 50 S HN 0.785 nan 8.310 nan 0.000 0.529 51 A N 0.965 123.909 122.820 0.208 0.000 2.406 51 A HA 0.628 4.524 4.320 -0.706 0.000 0.243 51 A C 1.532 179.165 177.584 0.081 0.000 1.082 51 A CA -0.042 52.120 52.037 0.208 0.000 0.786 51 A CB -0.276 18.777 19.000 0.088 0.000 1.029 51 A HN 0.386 nan 8.150 nan 0.000 0.495 52 G N -0.564 108.260 108.800 0.039 0.000 2.403 52 G HA2 0.292 3.829 3.960 -0.706 0.000 0.216 52 G HA3 0.292 3.829 3.960 -0.706 0.000 0.216 52 G C 0.203 175.076 174.900 -0.045 0.000 1.154 52 G CA 1.367 46.460 45.100 -0.012 0.000 0.784 52 G HN 0.930 nan 8.290 nan 0.000 0.538 53 L N -0.207 120.966 121.223 -0.084 0.000 2.482 53 L HA 0.634 4.551 4.340 -0.706 0.000 0.263 53 L C -1.463 175.326 176.870 -0.134 0.000 0.957 53 L CA -0.876 53.883 54.840 -0.135 0.000 0.836 53 L CB 2.154 44.045 42.059 -0.280 0.000 1.324 53 L HN -0.016 nan 8.230 nan 0.000 0.406 54 I N 5.019 125.531 120.570 -0.096 0.000 2.404 54 I HA 0.526 4.272 4.170 -0.706 0.000 0.293 54 I C -0.795 175.291 176.117 -0.051 0.000 0.992 54 I CA -0.972 60.271 61.300 -0.096 0.000 1.149 54 I CB 2.001 39.954 38.000 -0.078 0.000 1.315 54 I HN 0.300 nan 8.210 nan 0.000 0.446 55 V N 5.250 125.139 119.914 -0.042 0.000 2.417 55 V HA 0.260 3.956 4.120 -0.706 0.000 0.291 55 V C 0.393 176.487 176.094 -0.000 0.000 1.024 55 V CA -0.615 61.685 62.300 0.000 0.000 0.861 55 V CB 1.683 33.516 31.823 0.017 0.000 0.985 55 V HN 0.904 nan 8.190 nan 0.000 0.436 56 S N 4.141 119.792 115.700 -0.081 0.000 2.584 56 S HA 0.228 4.274 4.470 -0.706 0.000 0.270 56 S C 0.240 174.877 174.600 0.062 0.000 1.346 56 S CA -0.599 57.559 58.200 -0.070 0.000 1.018 56 S CB 0.472 63.456 63.200 -0.358 0.000 0.899 56 S HN 0.882 nan 8.310 nan 0.000 0.542 57 E N 1.103 121.485 120.200 0.303 0.000 2.438 57 E HA 0.231 4.157 4.350 -0.706 0.000 0.261 57 E C 0.695 177.326 176.600 0.052 0.000 1.103 57 E CA -0.346 56.172 56.400 0.197 0.000 0.959 57 E CB -0.238 29.687 29.700 0.375 0.000 0.958 57 E HN 0.822 nan 8.360 nan 0.000 0.447 58 G N 0.704 109.365 108.800 -0.232 0.000 2.321 58 G HA2 0.132 3.668 3.960 -0.706 0.000 0.237 58 G HA3 0.132 3.668 3.960 -0.706 0.000 0.237 58 G C -0.469 174.622 174.900 0.318 0.000 1.282 58 G CA 0.130 45.037 45.100 -0.321 0.000 0.886 58 G HN 0.421 nan 8.290 nan 0.000 0.528 59 T N 2.270 117.049 114.554 0.374 0.000 2.847 59 T HA 0.355 4.281 4.350 -0.706 0.000 0.291 59 T C 0.239 175.192 174.700 0.422 0.000 0.998 59 T CA -0.795 61.585 62.100 0.467 0.000 0.967 59 T CB 0.815 69.930 68.868 0.413 0.000 0.954 59 T HN 0.724 nan 8.240 nan 0.000 0.441 60 Q N 5.450 125.482 119.800 0.388 0.000 2.330 60 Q HA 0.134 4.050 4.340 -0.706 0.000 0.279 60 Q C 1.166 177.299 176.000 0.222 0.000 1.024 60 Q CA -0.157 55.766 55.803 0.200 0.000 0.900 60 Q CB 0.558 29.325 28.738 0.047 0.000 1.221 60 Q HN 0.937 nan 8.270 nan 0.000 0.396 61 I N -0.929 119.666 120.570 0.041 0.000 3.428 61 I HA 0.084 3.830 4.170 -0.706 0.000 0.286 61 I C 0.201 176.255 176.117 -0.104 0.000 1.287 61 I CA 0.097 61.404 61.300 0.013 0.000 1.396 61 I CB 0.048 37.935 38.000 -0.188 0.000 1.062 61 I HN 0.634 nan 8.210 nan 0.000 0.471 62 S N -1.110 114.391 115.700 -0.331 0.000 2.615 62 S HA 0.452 4.498 4.470 -0.706 0.000 0.268 62 S C -2.579 171.555 174.600 -0.778 0.000 1.146 62 S CA -0.846 56.858 58.200 -0.827 0.000 0.818 62 S CB 1.350 64.267 63.200 -0.471 0.000 1.111 62 S HN -0.232 nan 8.310 nan 0.000 0.465 63 P HA -0.030 nan 4.420 nan 0.000 0.216 63 P C 1.308 178.446 177.300 -0.270 0.000 1.150 63 P CA 2.093 64.980 63.100 -0.356 0.000 0.837 63 P CB -0.243 31.307 31.700 -0.250 0.000 0.786 64 T N -4.663 109.711 114.554 -0.299 0.000 3.144 64 T HA 0.369 4.296 4.350 -0.706 0.000 0.249 64 T C 1.411 175.844 174.700 -0.445 0.000 1.089 64 T CA 0.345 62.285 62.100 -0.267 0.000 0.989 64 T CB -0.450 68.324 68.868 -0.157 0.000 0.992 64 T HN -0.042 nan 8.240 nan 0.000 0.540 65 A N 0.753 123.193 122.820 -0.634 0.000 2.267 65 A HA 0.344 4.240 4.320 -0.706 0.000 0.213 65 A C 1.006 178.158 177.584 -0.720 0.000 1.192 65 A CA -0.282 51.111 52.037 -1.073 0.000 0.851 65 A CB -0.103 18.335 19.000 -0.936 0.000 0.881 65 A HN 0.489 nan 8.150 nan 0.000 0.494 66 K N -0.077 120.024 120.400 -0.498 0.000 2.249 66 K HA 0.391 4.287 4.320 -0.706 0.000 0.280 66 K C 0.851 177.132 176.600 -0.531 0.000 1.033 66 K CA 0.392 56.399 56.287 -0.466 0.000 0.946 66 K CB 0.833 33.183 32.500 -0.249 0.000 1.005 66 K HN 0.077 nan 8.250 nan 0.000 0.469 67 G N 2.919 111.312 108.800 -0.679 0.000 2.815 67 G HA2 0.124 3.660 3.960 -0.706 0.000 0.215 67 G HA3 0.124 3.660 3.960 -0.706 0.000 0.215 67 G C -0.727 173.512 174.900 -1.102 0.000 1.054 67 G CA 0.066 44.684 45.100 -0.803 0.000 0.832 67 G HN 0.549 nan 8.290 nan 0.000 0.557 68 Y N -0.084 119.874 120.300 -0.571 0.000 2.545 68 Y HA 0.669 4.839 4.550 -0.633 0.000 0.348 68 Y C 0.410 175.955 175.900 -0.591 0.000 1.002 68 Y CA -1.423 56.181 58.100 -0.827 0.000 1.039 68 Y CB 1.766 39.589 38.460 -1.062 0.000 1.271 68 Y HN 0.111 nan 8.280 nan 0.000 0.467 69 A N 1.604 124.093 122.820 -0.551 0.000 2.498 69 A HA 0.189 4.085 4.320 -0.706 0.000 0.239 69 A C -0.249 177.177 177.584 -0.264 0.000 1.068 69 A CA -0.044 51.608 52.037 -0.641 0.000 0.766 69 A CB -0.355 17.849 19.000 -1.326 0.000 1.003 69 A HN 0.942 nan 8.150 nan 0.000 0.497 70 W N 0.073 121.468 121.300 0.158 0.000 3.834 70 W HA -0.228 4.005 4.660 -0.712 0.000 0.320 70 W C 0.616 177.243 176.519 0.180 0.000 1.201 70 W CA 0.767 58.205 57.345 0.155 0.000 0.701 70 W CB -2.971 26.588 29.460 0.165 0.000 2.264 70 W HN 1.075 nan 8.180 nan 0.000 1.413 71 T N -0.261 114.485 114.554 0.321 0.000 2.897 71 T HA 0.551 4.478 4.350 -0.706 0.000 0.294 71 T C -1.450 173.417 174.700 0.278 0.000 1.004 71 T CA -1.602 60.706 62.100 0.347 0.000 1.106 71 T CB 2.705 71.817 68.868 0.408 0.000 0.949 71 T HN -0.106 nan 8.240 nan 0.000 0.520 72 P HA 0.301 nan 4.420 nan 0.000 0.276 72 P C 0.306 177.783 177.300 0.295 0.000 1.230 72 P CA -0.078 63.128 63.100 0.177 0.000 0.776 72 P CB 0.819 32.533 31.700 0.023 0.000 0.888 73 G N 1.903 110.796 108.800 0.154 0.000 2.511 73 G HA2 0.501 4.038 3.960 -0.706 0.000 0.316 73 G HA3 0.501 4.038 3.960 -0.706 0.000 0.316 73 G C -0.366 174.668 174.900 0.223 0.000 1.210 73 G CA -0.766 44.428 45.100 0.156 0.000 0.969 73 G HN 0.586 nan 8.290 nan 0.000 0.492 74 I N 0.207 120.905 120.570 0.214 0.000 3.114 74 I HA 0.278 4.025 4.170 -0.706 0.000 0.326 74 I C 0.245 176.471 176.117 0.182 0.000 1.510 74 I CA -0.610 60.841 61.300 0.251 0.000 0.918 74 I CB 0.100 38.240 38.000 0.234 0.000 1.561 74 I HN 0.652 nan 8.210 nan 0.000 0.565 75 Y N -0.817 119.549 120.300 0.111 0.000 2.430 75 Y HA 0.448 4.570 4.550 -0.714 0.000 0.254 75 Y C 0.825 176.760 175.900 0.058 0.000 1.088 75 Y CA -0.038 58.099 58.100 0.063 0.000 1.267 75 Y CB -0.540 37.935 38.460 0.026 0.000 1.204 75 Y HN 0.123 nan 8.280 nan 0.000 0.515 76 T N -2.310 112.122 114.554 -0.203 0.000 2.943 76 T HA 0.414 4.340 4.350 -0.706 0.000 0.284 76 T C -2.130 172.554 174.700 -0.026 0.000 1.015 76 T CA -2.338 59.719 62.100 -0.072 0.000 1.042 76 T CB 2.127 70.908 68.868 -0.145 0.000 1.055 76 T HN -0.244 nan 8.240 nan 0.000 0.500 77 P HA -0.126 nan 4.420 nan 0.000 0.215 77 P C 1.483 178.785 177.300 0.002 0.000 1.153 77 P CA 1.285 64.395 63.100 0.017 0.000 0.853 77 P CB 0.023 31.735 31.700 0.019 0.000 0.788 78 E N -0.052 120.135 120.200 -0.022 0.000 2.150 78 E HA -0.215 3.712 4.350 -0.706 0.000 0.193 78 E C 1.936 178.504 176.600 -0.053 0.000 0.985 78 E CA 0.880 57.259 56.400 -0.035 0.000 0.814 78 E CB -0.899 28.775 29.700 -0.043 0.000 0.752 78 E HN 0.304 nan 8.360 nan 0.000 0.466 79 Q N 0.654 120.410 119.800 -0.073 0.000 2.119 79 Q HA -0.075 3.842 4.340 -0.706 0.000 0.201 79 Q C 2.327 178.370 176.000 0.071 0.000 0.972 79 Q CA 1.422 57.181 55.803 -0.074 0.000 0.847 79 Q CB -0.111 28.546 28.738 -0.136 0.000 0.903 79 Q HN 0.406 nan 8.270 nan 0.000 0.433 80 I N 0.433 121.072 120.570 0.115 0.000 2.226 80 I HA -0.267 3.479 4.170 -0.706 0.000 0.245 80 I C 2.375 178.581 176.117 0.149 0.000 1.100 80 I CA 0.940 62.358 61.300 0.198 0.000 1.374 80 I CB -0.373 37.705 38.000 0.130 0.000 1.057 80 I HN 0.163 nan 8.210 nan 0.000 0.413 81 A N 0.904 123.759 122.820 0.059 0.000 1.933 81 A HA -0.100 3.797 4.320 -0.706 0.000 0.218 81 A C 2.428 180.005 177.584 -0.013 0.000 1.175 81 A CA 1.802 53.851 52.037 0.020 0.000 0.628 81 A CB -1.342 17.654 19.000 -0.006 0.000 0.814 81 A HN 0.459 nan 8.150 nan 0.000 0.444 82 G N -1.566 107.200 108.800 -0.057 0.000 2.421 82 G HA2 -0.257 3.279 3.960 -0.706 0.000 0.216 82 G HA3 -0.257 3.279 3.960 -0.706 0.000 0.216 82 G C 1.432 176.266 174.900 -0.110 0.000 1.171 82 G CA 0.849 45.855 45.100 -0.156 0.000 0.775 82 G HN 0.678 nan 8.290 nan 0.000 0.543 83 W N 0.333 121.628 121.300 -0.008 0.000 2.374 83 W HA 0.007 4.228 4.660 -0.732 0.000 0.288 83 W C 2.819 179.227 176.519 -0.186 0.000 1.218 83 W CA 0.585 57.911 57.345 -0.032 0.000 1.245 83 W CB 0.132 29.681 29.460 0.148 0.000 1.126 83 W HN 0.101 nan 8.180 nan 0.000 0.545 84 R N 0.870 121.428 120.500 0.096 0.000 2.096 84 R HA -0.162 3.754 4.340 -0.706 0.000 0.235 84 R C 1.729 178.006 176.300 -0.037 0.000 1.127 84 R CA 1.570 57.664 56.100 -0.011 0.000 0.968 84 R CB -0.897 29.409 30.300 0.009 0.000 0.861 84 R HN 0.073 nan 8.270 nan 0.000 0.440 85 I N -0.009 120.540 120.570 -0.036 0.000 2.226 85 I HA -0.203 3.543 4.170 -0.706 0.000 0.245 85 I C 2.162 178.262 176.117 -0.028 0.000 1.100 85 I CA 1.008 62.277 61.300 -0.051 0.000 1.374 85 I CB -1.091 36.838 38.000 -0.119 0.000 1.057 85 I HN 0.014 nan 8.210 nan 0.000 0.413 86 V N 1.288 121.202 119.914 0.001 0.000 2.261 86 V HA -0.273 3.424 4.120 -0.706 0.000 0.246 86 V C 2.783 178.807 176.094 -0.118 0.000 1.047 86 V CA 2.506 64.831 62.300 0.041 0.000 1.015 86 V CB -1.309 30.654 31.823 0.233 0.000 0.642 86 V HN 0.586 nan 8.190 nan 0.000 0.446 87 T N -2.265 112.123 114.554 -0.276 0.000 2.833 87 T HA -0.193 3.734 4.350 -0.706 0.000 0.269 87 T C 1.726 176.231 174.700 -0.326 0.000 1.054 87 T CA 1.374 63.177 62.100 -0.495 0.000 1.135 87 T CB -0.311 68.185 68.868 -0.621 0.000 0.869 87 T HN 0.414 nan 8.240 nan 0.000 0.466 88 E N 1.655 121.787 120.200 -0.113 0.000 2.072 88 E HA 0.027 3.953 4.350 -0.706 0.000 0.191 88 E C 2.642 179.240 176.600 -0.003 0.000 0.985 88 E CA 1.318 57.717 56.400 -0.003 0.000 0.801 88 E CB -0.722 28.984 29.700 0.010 0.000 0.750 88 E HN 0.708 nan 8.360 nan 0.000 0.452 89 A N 0.941 123.749 122.820 -0.021 0.000 1.877 89 A HA -0.129 3.768 4.320 -0.706 0.000 0.216 89 A C 2.619 180.201 177.584 -0.002 0.000 1.186 89 A CA 1.453 53.497 52.037 0.012 0.000 0.620 89 A CB -0.664 18.360 19.000 0.040 0.000 0.822 89 A HN 0.133 nan 8.150 nan 0.000 0.443 90 V N -0.365 119.504 119.914 -0.075 0.000 2.307 90 V HA -0.287 3.410 4.120 -0.706 0.000 0.245 90 V C 2.275 178.342 176.094 -0.046 0.000 1.045 90 V CA 2.328 64.571 62.300 -0.095 0.000 1.024 90 V CB -1.181 30.515 31.823 -0.212 0.000 0.651 90 V HN 0.750 nan 8.190 nan 0.000 0.449 91 H N -0.152 118.912 119.070 -0.009 0.000 2.457 91 H HA -0.031 4.103 4.556 -0.704 0.000 0.294 91 H C 2.255 177.589 175.328 0.009 0.000 1.064 91 H CA 0.961 57.007 56.048 -0.003 0.000 1.330 91 H CB -0.060 29.692 29.762 -0.017 0.000 1.395 91 H HN 0.468 nan 8.280 nan 0.000 0.541 92 A N 0.917 123.810 122.820 0.121 0.000 2.015 92 A HA -0.124 3.773 4.320 -0.706 0.000 0.219 92 A C 1.910 179.535 177.584 0.068 0.000 1.163 92 A CA 1.169 53.254 52.037 0.080 0.000 0.646 92 A CB 0.020 19.055 19.000 0.059 0.000 0.806 92 A HN 0.129 nan 8.150 nan 0.000 0.448 93 K N -1.022 119.419 120.400 0.068 0.000 2.393 93 K HA 0.165 4.061 4.320 -0.706 0.000 0.193 93 K C 0.726 177.368 176.600 0.069 0.000 1.026 93 K CA 0.682 57.006 56.287 0.061 0.000 1.064 93 K CB -0.268 32.265 32.500 0.054 0.000 0.833 93 K HN 0.782 nan 8.250 nan 0.000 0.521 94 G N 1.840 110.692 108.800 0.087 0.000 2.689 94 G HA2 -0.216 3.320 3.960 -0.706 0.000 0.273 94 G HA3 -0.216 3.320 3.960 -0.706 0.000 0.273 94 G C -0.376 174.579 174.900 0.092 0.000 1.062 94 G CA 0.037 45.190 45.100 0.088 0.000 1.279 94 G HN 0.298 nan 8.290 nan 0.000 0.547 95 C N 1.042 120.418 119.300 0.126 0.000 3.284 95 C HA 0.909 4.945 4.460 -0.706 0.000 0.338 95 C C 0.392 175.482 174.990 0.167 0.000 1.237 95 C CA 0.406 59.486 59.018 0.102 0.000 1.276 95 C CB 1.032 28.804 27.740 0.053 0.000 1.601 95 C HN 2.223 nan 8.230 nan 0.000 0.494 96 A N 3.776 126.677 122.820 0.135 0.000 2.310 96 A HA 0.819 4.715 4.320 -0.706 0.000 0.299 96 A C -0.761 176.926 177.584 0.172 0.000 1.147 96 A CA -0.394 51.770 52.037 0.211 0.000 0.818 96 A CB 0.601 19.709 19.000 0.181 0.000 1.096 96 A HN 1.274 nan 8.150 nan 0.000 0.495 97 I N 1.340 122.071 120.570 0.268 0.000 2.569 97 I HA 0.627 4.374 4.170 -0.706 0.000 0.290 97 I C -1.872 174.572 176.117 0.544 0.000 1.088 97 I CA -0.671 60.771 61.300 0.238 0.000 1.047 97 I CB 1.247 39.233 38.000 -0.022 0.000 1.237 97 I HN 0.526 nan 8.210 nan 0.000 0.421 98 F N 5.631 125.634 119.950 0.088 0.000 2.480 98 F HA 0.705 4.803 4.527 -0.716 0.000 0.329 98 F C 0.519 176.125 175.800 -0.323 0.000 1.091 98 F CA -0.861 57.131 58.000 -0.013 0.000 0.972 98 F CB 2.058 41.074 39.000 0.028 0.000 1.150 98 F HN 0.460 nan 8.300 nan 0.000 0.467 99 A N 2.915 125.292 122.820 -0.738 0.000 2.289 99 A HA 0.384 4.281 4.320 -0.706 0.000 0.298 99 A C -0.273 176.996 177.584 -0.525 0.000 1.208 99 A CA -0.561 50.757 52.037 -1.198 0.000 0.845 99 A CB 0.353 18.101 19.000 -2.088 0.000 1.125 99 A HN 0.743 nan 8.150 nan 0.000 0.517 100 Q N 3.333 122.918 119.800 -0.358 0.000 2.361 100 Q HA 0.375 4.291 4.340 -0.706 0.000 0.250 100 Q C -1.114 174.838 176.000 -0.081 0.000 1.023 100 Q CA -0.247 55.451 55.803 -0.176 0.000 0.915 100 Q CB 0.185 28.808 28.738 -0.191 0.000 1.238 100 Q HN 0.737 nan 8.270 nan 0.000 0.451 101 L N 4.532 125.755 121.223 0.001 0.000 2.418 101 L HA 0.197 4.113 4.340 -0.706 0.000 0.274 101 L C -0.412 176.695 176.870 0.395 0.000 1.135 101 L CA -0.211 54.730 54.840 0.169 0.000 0.870 101 L CB 0.107 42.293 42.059 0.213 0.000 1.154 101 L HN 0.601 nan 8.230 nan 0.000 0.462 102 W N 4.813 126.201 121.300 0.148 0.000 2.702 102 W HA 0.386 5.145 4.660 0.165 0.000 0.331 102 W C -0.720 175.834 176.519 0.057 0.000 1.049 102 W CA -0.634 56.793 57.345 0.137 0.000 1.230 102 W CB 1.025 30.525 29.460 0.066 0.000 1.408 102 W HN 0.359 nan 8.180 nan 0.000 0.492 103 H N 5.098 124.295 119.070 0.211 0.000 3.018 103 H HA 0.252 4.383 4.556 -0.709 0.000 0.334 103 H C 0.519 175.785 175.328 -0.103 0.000 0.983 103 H CA -0.115 55.888 56.048 -0.074 0.000 1.363 103 H CB 1.693 31.450 29.762 -0.008 0.000 1.668 103 H HN 0.373 nan 8.280 nan 0.000 0.513 104 V N 2.639 122.406 119.914 -0.245 0.000 3.306 104 V HA 0.254 3.951 4.120 -0.706 0.000 0.264 104 V C 1.421 177.678 176.094 0.272 0.000 1.149 104 V CA 1.096 63.366 62.300 -0.049 0.000 1.143 104 V CB -0.787 30.796 31.823 -0.400 0.000 0.767 104 V HN 0.952 nan 8.190 nan 0.000 0.476 105 G N 2.661 111.699 108.800 0.396 0.000 2.622 105 G HA2 -0.451 3.085 3.960 -0.706 0.000 0.307 105 G HA3 -0.451 3.085 3.960 -0.706 0.000 0.307 105 G C 1.022 175.977 174.900 0.092 0.000 1.226 105 G CA 1.286 46.522 45.100 0.227 0.000 0.997 105 G HN 0.975 nan 8.290 nan 0.000 0.551 106 R N 0.051 120.578 120.500 0.045 0.000 2.316 106 R HA 0.255 4.171 4.340 -0.706 0.000 0.202 106 R C 0.863 177.149 176.300 -0.023 0.000 1.029 106 R CA 1.158 57.251 56.100 -0.012 0.000 1.018 106 R CB -0.166 30.115 30.300 -0.032 0.000 0.888 106 R HN 0.432 nan 8.270 nan 0.000 0.471 107 V N 1.957 121.884 119.914 0.022 0.000 2.153 107 V HA 0.182 3.879 4.120 -0.706 0.000 0.250 107 V C -0.010 175.995 176.094 -0.149 0.000 1.334 107 V CA 0.136 62.439 62.300 0.004 0.000 1.249 107 V CB 0.008 31.927 31.823 0.160 0.000 1.371 107 V HN 0.430 nan 8.190 nan 0.000 0.498 108 T N 1.499 115.938 114.554 -0.191 0.000 2.658 108 T HA 0.479 4.405 4.350 -0.706 0.000 0.305 108 T C -1.772 172.827 174.700 -0.167 0.000 1.551 108 T CA -0.542 61.386 62.100 -0.287 0.000 0.985 108 T CB 1.778 70.467 68.868 -0.297 0.000 1.731 108 T HN 0.701 nan 8.240 nan 0.000 0.486 109 H N 0.050 118.962 119.070 -0.263 0.000 2.768 109 H HA 0.549 4.680 4.556 -0.709 0.000 0.371 109 H C -2.181 173.045 175.328 -0.170 0.000 1.151 109 H CA -1.835 54.099 56.048 -0.189 0.000 1.165 109 H CB 2.541 32.189 29.762 -0.190 0.000 1.722 109 H HN 0.285 nan 8.280 nan 0.000 0.543 110 P HA -0.169 nan 4.420 nan 0.000 0.217 110 P C 0.582 177.868 177.300 -0.024 0.000 1.148 110 P CA 1.402 64.366 63.100 -0.227 0.000 0.828 110 P CB 0.271 31.791 31.700 -0.300 0.000 0.783 111 D N -1.544 119.015 120.400 0.265 0.000 2.263 111 D HA -0.112 4.104 4.640 -0.706 0.000 0.208 111 D C 1.362 177.651 176.300 -0.018 0.000 0.971 111 D CA 0.934 55.012 54.000 0.130 0.000 0.867 111 D CB -0.601 40.250 40.800 0.086 0.000 0.929 111 D HN 0.184 nan 8.370 nan 0.000 0.492 112 N N 0.074 118.736 118.700 -0.063 0.000 2.353 112 N HA 0.073 4.390 4.740 -0.706 0.000 0.185 112 N C 0.907 176.332 175.510 -0.142 0.000 1.098 112 N CA 0.154 53.113 53.050 -0.152 0.000 0.872 112 N CB 0.788 39.121 38.487 -0.256 0.000 0.970 112 N HN 0.386 nan 8.380 nan 0.000 0.467 113 I N -2.438 118.060 120.570 -0.121 0.000 3.061 113 I HA 0.329 4.076 4.170 -0.706 0.000 0.341 113 I C -1.047 175.015 176.117 -0.091 0.000 1.457 113 I CA -0.437 60.788 61.300 -0.126 0.000 0.921 113 I CB 0.194 38.099 38.000 -0.157 0.000 1.845 113 I HN -0.330 nan 8.210 nan 0.000 0.535 114 D N 2.608 122.970 120.400 -0.063 0.000 2.708 114 D HA -0.212 4.005 4.640 -0.706 0.000 0.236 114 D C 1.416 177.688 176.300 -0.047 0.000 1.146 114 D CA 1.626 55.600 54.000 -0.044 0.000 0.662 114 D CB -1.251 39.524 40.800 -0.042 0.000 1.059 114 D HN 1.076 nan 8.370 nan 0.000 0.428 115 G N -1.076 107.693 108.800 -0.051 0.000 2.189 115 G HA2 -0.374 3.162 3.960 -0.706 0.000 0.267 115 G HA3 -0.374 3.162 3.960 -0.706 0.000 0.267 115 G C 0.385 175.239 174.900 -0.077 0.000 0.975 115 G CA 0.629 45.695 45.100 -0.057 0.000 0.644 115 G HN 0.436 nan 8.290 nan 0.000 0.537 116 Q N 0.060 119.809 119.800 -0.084 0.000 2.443 116 Q HA 0.333 4.250 4.340 -0.706 0.000 0.232 116 Q C 0.612 176.548 176.000 -0.107 0.000 1.026 116 Q CA -0.100 55.651 55.803 -0.087 0.000 0.924 116 Q CB 0.678 29.366 28.738 -0.083 0.000 1.256 116 Q HN 0.691 nan 8.270 nan 0.000 0.519 117 Q N 1.637 121.379 119.800 -0.096 0.000 2.288 117 Q HA 0.285 4.202 4.340 -0.706 0.000 0.254 117 Q C -2.243 173.700 176.000 -0.095 0.000 0.932 117 Q CA -1.662 54.078 55.803 -0.105 0.000 0.902 117 Q CB 0.815 29.500 28.738 -0.088 0.000 1.203 117 Q HN 0.195 nan 8.270 nan 0.000 0.415 118 P HA 0.065 nan 4.420 nan 0.000 0.270 118 P C -0.912 176.355 177.300 -0.055 0.000 1.223 118 P CA 0.090 63.143 63.100 -0.078 0.000 0.785 118 P CB 0.381 32.028 31.700 -0.089 0.000 0.923 119 I N -2.154 118.403 120.570 -0.021 0.000 2.693 119 I HA 0.838 4.585 4.170 -0.706 0.000 0.303 119 I C -0.226 175.865 176.117 -0.044 0.000 1.025 119 I CA -0.631 60.646 61.300 -0.038 0.000 1.086 119 I CB 2.339 40.320 38.000 -0.032 0.000 1.268 119 I HN 0.244 nan 8.210 nan 0.000 0.440 120 S N 1.547 117.190 115.700 -0.095 0.000 2.727 120 S HA 0.361 4.407 4.470 -0.706 0.000 0.278 120 S C 0.731 175.147 174.600 -0.307 0.000 1.186 120 S CA 0.077 58.193 58.200 -0.141 0.000 0.836 120 S CB 1.173 64.292 63.200 -0.134 0.000 1.186 120 S HN 0.934 nan 8.310 nan 0.000 0.499 121 S N 0.821 116.141 115.700 -0.633 0.000 2.383 121 S HA 0.163 4.209 4.470 -0.706 0.000 0.227 121 S C 0.809 175.099 174.600 -0.517 0.000 1.026 121 S CA 0.988 58.506 58.200 -1.136 0.000 0.981 121 S CB -0.438 61.862 63.200 -1.501 0.000 0.818 121 S HN 0.601 nan 8.310 nan 0.000 0.472 122 S N 0.441 115.937 115.700 -0.340 0.000 2.851 122 S HA 0.528 4.574 4.470 -0.706 0.000 0.317 122 S C 0.257 174.769 174.600 -0.147 0.000 1.144 122 S CA -0.251 57.825 58.200 -0.206 0.000 0.862 122 S CB 1.441 64.537 63.200 -0.173 0.000 1.259 122 S HN 0.501 nan 8.310 nan 0.000 0.564 123 T N -0.215 114.274 114.554 -0.108 0.000 3.273 123 T HA 0.411 4.337 4.350 -0.706 0.000 0.254 123 T C -0.060 174.596 174.700 -0.074 0.000 1.002 123 T CA -0.113 61.936 62.100 -0.085 0.000 0.913 123 T CB -1.048 67.779 68.868 -0.069 0.000 1.056 123 T HN 0.300 nan 8.240 nan 0.000 0.576 124 L N 1.900 123.074 121.223 -0.081 0.000 2.276 124 L HA 0.444 4.360 4.340 -0.706 0.000 0.286 124 L C 0.477 177.312 176.870 -0.058 0.000 1.061 124 L CA -0.867 53.934 54.840 -0.064 0.000 0.807 124 L CB 1.166 43.186 42.059 -0.066 0.000 1.177 124 L HN 0.208 nan 8.230 nan 0.000 0.429 125 K N 2.963 123.336 120.400 -0.046 0.000 2.270 125 K HA 0.469 4.366 4.320 -0.706 0.000 0.276 125 K C -0.130 176.452 176.600 -0.030 0.000 1.023 125 K CA -0.597 55.667 56.287 -0.040 0.000 0.955 125 K CB 1.173 33.652 32.500 -0.034 0.000 0.975 125 K HN 0.666 nan 8.250 nan 0.000 0.471 126 A N 3.199 126.003 122.820 -0.025 0.000 2.438 126 A HA 0.243 4.139 4.320 -0.706 0.000 0.280 126 A C 0.119 177.700 177.584 -0.005 0.000 1.160 126 A CA 0.084 52.112 52.037 -0.015 0.000 0.821 126 A CB -0.328 18.664 19.000 -0.013 0.000 1.101 126 A HN 0.880 nan 8.150 nan 0.000 0.515 127 E N 3.343 123.542 120.200 -0.002 0.000 2.376 127 E HA 0.322 4.249 4.350 -0.706 0.000 0.266 127 E C 0.474 177.082 176.600 0.013 0.000 1.009 127 E CA -0.135 56.267 56.400 0.004 0.000 0.902 127 E CB -0.261 nan 29.700 nan 0.000 0.972 127 E HN 0.802 nan 8.360 nan 0.000 0.439 128 N N -0.037 118.672 118.700 0.015 0.000 2.725 128 N HA -0.144 4.173 4.740 -0.706 0.000 0.251 128 N C -0.831 174.699 175.510 0.033 0.000 1.031 128 N CA 1.013 54.076 53.050 0.021 0.000 0.720 128 N CB -1.469 37.030 38.487 0.019 0.000 0.930 128 N HN 0.459 nan 8.380 nan 0.000 0.543 129 V N 0.078 120.015 119.914 0.038 0.000 2.656 129 V HA 0.470 4.166 4.120 -0.706 0.000 0.307 129 V C 0.205 176.343 176.094 0.073 0.000 1.051 129 V CA -0.669 61.666 62.300 0.059 0.000 0.893 129 V CB 2.806 34.658 31.823 0.049 0.000 0.999 129 V HN 0.070 nan 8.190 nan 0.000 0.426 130 K N 2.337 122.808 120.400 0.119 0.000 2.435 130 K HA 0.881 4.777 4.320 -0.706 0.000 0.251 130 K C -0.988 175.723 176.600 0.186 0.000 0.954 130 K CA -0.713 55.666 56.287 0.153 0.000 0.820 130 K CB 2.734 35.368 32.500 0.223 0.000 1.292 130 K HN 0.583 nan 8.250 nan 0.000 0.436 131 V N -1.878 118.070 119.914 0.058 0.000 3.119 131 V HA 0.749 4.445 4.120 -0.706 0.000 0.311 131 V C -1.175 174.804 176.094 -0.191 0.000 1.259 131 V CA -0.997 61.206 62.300 -0.162 0.000 1.067 131 V CB 1.171 32.600 31.823 -0.655 0.000 1.123 131 V HN 0.734 nan 8.190 nan 0.000 0.463 132 F N 0.332 120.045 119.950 -0.396 0.000 2.576 132 F HA 0.975 5.077 4.527 -0.709 0.000 0.313 132 F C -0.534 174.954 175.800 -0.520 0.000 1.078 132 F CA -0.917 56.717 58.000 -0.610 0.000 0.921 132 F CB 1.291 39.643 39.000 -1.081 0.000 1.232 132 F HN 0.686 nan 8.300 nan 0.000 0.459 133 V N -1.438 118.327 119.914 -0.248 0.000 3.155 133 V HA 0.605 4.302 4.120 -0.706 0.000 0.313 133 V C -1.284 174.611 176.094 -0.332 0.000 1.162 133 V CA -0.742 61.357 62.300 -0.335 0.000 1.048 133 V CB 1.867 33.492 31.823 -0.330 0.000 1.092 133 V HN 0.913 nan 8.190 nan 0.000 0.447 134 D N 2.184 122.388 120.400 -0.327 0.000 2.295 134 D HA 0.282 4.498 4.640 -0.706 0.000 0.248 134 D C -0.178 176.127 176.300 0.007 0.000 1.154 134 D CA -0.082 53.858 54.000 -0.101 0.000 0.857 134 D CB 0.989 41.814 40.800 0.041 0.000 1.117 134 D HN 0.849 nan 8.370 nan 0.000 0.468 135 N N 2.513 121.256 118.700 0.072 0.000 2.467 135 N HA 0.230 4.547 4.740 -0.706 0.000 0.278 135 N C 0.783 176.339 175.510 0.076 0.000 1.306 135 N CA -0.301 52.777 53.050 0.047 0.000 0.905 135 N CB 0.498 38.998 38.487 0.022 0.000 1.236 135 N HN 0.492 nan 8.380 nan 0.000 0.509 136 G N -0.379 108.484 108.800 0.106 0.000 2.198 136 G HA2 -0.180 3.357 3.960 -0.706 0.000 0.257 136 G HA3 -0.180 3.357 3.960 -0.706 0.000 0.257 136 G C -0.216 174.737 174.900 0.089 0.000 1.042 136 G CA 0.410 45.564 45.100 0.089 0.000 0.791 136 G HN 1.305 nan 8.290 nan 0.000 0.502 137 S N -3.080 112.697 115.700 0.129 0.000 2.587 137 S HA 0.666 4.712 4.470 -0.706 0.000 0.269 137 S C -0.105 174.576 174.600 0.134 0.000 1.154 137 S CA 0.745 59.005 58.200 0.101 0.000 0.824 137 S CB 1.100 64.353 63.200 0.088 0.000 1.118 137 S HN 1.475 nan 8.310 nan 0.000 0.462 138 D N -0.676 119.744 120.400 0.034 0.000 2.519 138 D HA 0.541 4.757 4.640 -0.706 0.000 0.238 138 D C 0.262 176.568 176.300 0.009 0.000 1.192 138 D CA 0.538 54.489 54.000 -0.081 0.000 0.835 138 D CB -0.440 nan 40.800 nan 0.000 0.975 138 D HN 1.091 nan 8.370 nan 0.000 0.490 139 E N 1.033 121.339 120.200 0.178 0.000 2.241 139 E HA 0.592 4.519 4.350 -0.706 0.000 0.263 139 E C -3.037 173.714 176.600 0.251 0.000 0.882 139 E CA -1.954 54.558 56.400 0.186 0.000 0.769 139 E CB 1.068 30.838 29.700 0.117 0.000 1.185 139 E HN 0.173 nan 8.360 nan 0.000 0.415 140 P HA 0.238 nan 4.420 nan 0.000 0.260 140 P C 0.247 177.479 177.300 -0.112 0.000 1.172 140 P CA 0.474 63.461 63.100 -0.188 0.000 0.760 140 P CB 1.065 32.329 31.700 -0.726 0.000 0.773 141 G N 3.400 112.125 108.800 -0.125 0.000 2.468 141 G HA2 0.427 3.964 3.960 -0.706 0.000 0.320 141 G HA3 0.427 3.964 3.960 -0.706 0.000 0.320 141 G C -0.756 174.101 174.900 -0.071 0.000 1.137 141 G CA -0.343 44.747 45.100 -0.017 0.000 0.984 141 G HN 0.255 nan 8.290 nan 0.000 0.462 142 F N 1.976 121.958 119.950 0.053 0.000 2.495 142 F HA 0.427 4.526 4.527 -0.712 0.000 0.365 142 F C 0.895 176.691 175.800 -0.005 0.000 1.090 142 F CA -0.159 57.879 58.000 0.062 0.000 1.235 142 F CB 1.523 40.565 39.000 0.070 0.000 1.119 142 F HN 0.397 nan 8.300 nan 0.000 0.562 143 V N -0.469 119.503 119.914 0.096 0.000 3.078 143 V HA 0.558 4.254 4.120 -0.706 0.000 0.311 143 V C -0.938 175.197 176.094 0.068 0.000 1.138 143 V CA -1.137 61.176 62.300 0.021 0.000 1.007 143 V CB 1.857 33.572 31.823 -0.180 0.000 1.045 143 V HN 0.539 nan 8.190 nan 0.000 0.432 144 D N 1.390 121.839 120.400 0.081 0.000 2.341 144 D HA 0.442 4.658 4.640 -0.706 0.000 0.245 144 D C 0.429 176.781 176.300 0.086 0.000 1.106 144 D CA 0.206 54.251 54.000 0.075 0.000 0.905 144 D CB 1.717 42.551 40.800 0.058 0.000 1.202 144 D HN 0.982 nan 8.370 nan 0.000 0.426 145 V N 0.470 120.407 119.914 0.039 0.000 3.376 145 V HA 0.626 4.322 4.120 -0.706 0.000 0.303 145 V C 0.428 176.508 176.094 -0.022 0.000 1.100 145 V CA -0.618 61.682 62.300 0.001 0.000 1.126 145 V CB 0.523 32.330 31.823 -0.027 0.000 1.085 145 V HN 0.621 nan 8.190 nan 0.000 0.480 146 A N 1.929 124.700 122.820 -0.082 0.000 2.281 146 A HA 0.747 4.644 4.320 -0.706 0.000 0.329 146 A C -0.167 177.365 177.584 -0.087 0.000 1.122 146 A CA -0.746 51.223 52.037 -0.114 0.000 0.850 146 A CB 1.201 20.077 19.000 -0.208 0.000 1.207 146 A HN 1.147 nan 8.150 nan 0.000 0.495 147 V N 3.350 123.215 119.914 -0.081 0.000 2.508 147 V HA 0.253 3.950 4.120 -0.706 0.000 0.281 147 V C -1.661 174.387 176.094 -0.078 0.000 1.041 147 V CA -0.660 61.599 62.300 -0.069 0.000 1.016 147 V CB 0.682 32.470 31.823 -0.059 0.000 0.984 147 V HN 0.849 nan 8.190 nan 0.000 0.478 148 P HA 0.379 nan 4.420 nan 0.000 0.278 148 P C -1.064 176.189 177.300 -0.077 0.000 1.266 148 P CA -0.843 62.211 63.100 -0.077 0.000 0.807 148 P CB 1.142 32.797 31.700 -0.075 0.000 1.094 149 R N 0.038 120.492 120.500 -0.077 0.000 2.604 149 R HA 0.766 4.682 4.340 -0.706 0.000 0.287 149 R C -0.467 175.780 176.300 -0.088 0.000 0.970 149 R CA -1.023 55.032 56.100 -0.074 0.000 0.946 149 R CB 0.951 31.211 30.300 -0.065 0.000 1.127 149 R HN 0.382 nan 8.270 nan 0.000 0.473 150 A N 4.371 127.136 122.820 -0.091 0.000 2.409 150 A HA 0.259 4.156 4.320 -0.706 0.000 0.262 150 A C 0.300 177.825 177.584 -0.100 0.000 1.113 150 A CA -0.598 51.371 52.037 -0.114 0.000 0.790 150 A CB 0.176 19.112 19.000 -0.108 0.000 1.046 150 A HN 0.801 nan 8.150 nan 0.000 0.496 151 M N 2.488 122.018 119.600 -0.116 0.000 2.239 151 M HA 0.151 4.207 4.480 -0.706 0.000 0.348 151 M C 1.129 177.376 176.300 -0.089 0.000 1.239 151 M CA 0.282 55.522 55.300 -0.100 0.000 1.114 151 M CB 0.519 33.053 32.600 -0.110 0.000 1.641 151 M HN 0.904 nan 8.290 nan 0.000 0.453 152 T N -0.090 114.419 114.554 -0.075 0.000 2.862 152 T HA 0.465 4.392 4.350 -0.706 0.000 0.276 152 T C 1.260 175.920 174.700 -0.066 0.000 0.974 152 T CA -0.307 61.761 62.100 -0.052 0.000 0.966 152 T CB 1.184 70.031 68.868 -0.035 0.000 1.072 152 T HN 0.718 nan 8.240 nan 0.000 0.538 153 K N 0.103 120.487 120.400 -0.026 0.000 2.103 153 K HA 0.096 3.993 4.320 -0.706 0.000 0.207 153 K C 2.626 179.213 176.600 -0.021 0.000 1.048 153 K CA 1.992 58.273 56.287 -0.010 0.000 0.930 153 K CB -1.612 30.915 32.500 0.044 0.000 0.716 153 K HN 0.912 nan 8.250 nan 0.000 0.444 154 A N 1.865 124.675 122.820 -0.017 0.000 1.902 154 A HA -0.176 3.720 4.320 -0.706 0.000 0.217 154 A C 2.119 179.687 177.584 -0.026 0.000 1.181 154 A CA 1.771 53.800 52.037 -0.014 0.000 0.623 154 A CB -0.347 18.646 19.000 -0.012 0.000 0.818 154 A HN 0.593 nan 8.150 nan 0.000 0.443 155 D N 0.128 120.499 120.400 -0.048 0.000 2.117 155 D HA -0.125 4.091 4.640 -0.706 0.000 0.197 155 D C 1.888 178.147 176.300 -0.067 0.000 0.987 155 D CA 1.206 55.171 54.000 -0.059 0.000 0.829 155 D CB -0.347 40.406 40.800 -0.079 0.000 0.961 155 D HN 0.532 nan 8.370 nan 0.000 0.460 156 I N 1.288 121.788 120.570 -0.118 0.000 2.179 156 I HA -0.269 3.478 4.170 -0.706 0.000 0.242 156 I C 2.531 178.674 176.117 0.043 0.000 1.088 156 I CA 1.100 62.329 61.300 -0.119 0.000 1.357 156 I CB -0.238 37.565 38.000 -0.327 0.000 1.051 156 I HN -0.076 nan 8.210 nan 0.000 0.409 157 A N 0.043 122.875 122.820 0.021 0.000 1.933 157 A HA -0.286 3.610 4.320 -0.706 0.000 0.218 157 A C 2.224 179.833 177.584 0.042 0.000 1.175 157 A CA 1.942 54.005 52.037 0.044 0.000 0.628 157 A CB -0.590 18.429 19.000 0.032 0.000 0.814 157 A HN 0.422 nan 8.150 nan 0.000 0.444 158 Q N -0.066 119.748 119.800 0.023 0.000 2.046 158 Q HA -0.098 3.819 4.340 -0.706 0.000 0.200 158 Q C 1.883 177.899 176.000 0.027 0.000 0.975 158 Q CA 2.244 58.055 55.803 0.014 0.000 0.836 158 Q CB -0.609 28.126 28.738 -0.006 0.000 0.896 158 Q HN 0.325 nan 8.270 nan 0.000 0.428 159 V N 0.490 120.435 119.914 0.053 0.000 2.343 159 V HA -0.242 3.454 4.120 -0.706 0.000 0.247 159 V C 2.256 178.438 176.094 0.148 0.000 1.051 159 V CA 1.761 64.109 62.300 0.081 0.000 1.036 159 V CB -0.546 31.364 31.823 0.145 0.000 0.654 159 V HN 0.393 nan 8.190 nan 0.000 0.451 160 I N 0.454 121.128 120.570 0.172 0.000 2.226 160 I HA -0.239 3.507 4.170 -0.706 0.000 0.245 160 I C 2.638 178.817 176.117 0.104 0.000 1.100 160 I CA 1.472 62.853 61.300 0.136 0.000 1.374 160 I CB -0.543 37.492 38.000 0.060 0.000 1.057 160 I HN 0.297 nan 8.210 nan 0.000 0.413 161 A N 0.397 123.256 122.820 0.064 0.000 1.930 161 A HA -0.218 3.678 4.320 -0.706 0.000 0.217 161 A C 1.918 179.523 177.584 0.035 0.000 1.175 161 A CA 1.918 53.979 52.037 0.041 0.000 0.627 161 A CB -0.492 18.523 19.000 0.025 0.000 0.815 161 A HN 0.327 nan 8.150 nan 0.000 0.443 162 D N -1.380 119.026 120.400 0.011 0.000 2.117 162 D HA -0.119 4.098 4.640 -0.706 0.000 0.198 162 D C 1.630 177.916 176.300 -0.024 0.000 0.982 162 D CA 1.219 55.196 54.000 -0.039 0.000 0.828 162 D CB -0.397 40.334 40.800 -0.113 0.000 0.967 162 D HN 0.543 nan 8.370 nan 0.000 0.464 163 Y N 1.067 121.371 120.300 0.007 0.000 2.145 163 Y HA -0.095 4.024 4.550 -0.719 0.000 0.286 163 Y C 2.585 178.464 175.900 -0.036 0.000 1.145 163 Y CA 1.052 59.141 58.100 -0.018 0.000 1.148 163 Y CB -0.282 38.137 38.460 -0.069 0.000 0.981 163 Y HN -0.131 nan 8.280 nan 0.000 0.507 164 R N 0.000 120.580 120.500 0.133 0.000 2.083 164 R HA -0.268 3.648 4.340 -0.706 0.000 0.237 164 R C 2.258 178.582 176.300 0.040 0.000 1.137 164 R CA 1.980 58.112 56.100 0.054 0.000 0.951 164 R CB -0.233 30.086 30.300 0.033 0.000 0.851 164 R HN 0.256 nan 8.270 nan 0.000 0.434 165 Q N 0.124 119.951 119.800 0.044 0.000 2.119 165 Q HA -0.024 3.892 4.340 -0.706 0.000 0.201 165 Q C 1.741 177.770 176.000 0.048 0.000 0.972 165 Q CA 1.927 57.754 55.803 0.041 0.000 0.847 165 Q CB -0.219 28.544 28.738 0.043 0.000 0.903 165 Q HN 0.429 nan 8.270 nan 0.000 0.433 166 A N 0.175 123.028 122.820 0.056 0.000 1.933 166 A HA -0.040 3.856 4.320 -0.706 0.000 0.218 166 A C 2.253 179.845 177.584 0.014 0.000 1.175 166 A CA 1.746 53.816 52.037 0.056 0.000 0.628 166 A CB -1.032 18.007 19.000 0.065 0.000 0.814 166 A HN 0.498 nan 8.150 nan 0.000 0.444 167 A N -0.173 122.651 122.820 0.006 0.000 1.898 167 A HA -0.014 3.882 4.320 -0.706 0.000 0.216 167 A C 2.151 179.713 177.584 -0.036 0.000 1.181 167 A CA 1.419 53.429 52.037 -0.045 0.000 0.620 167 A CB -0.570 18.400 19.000 -0.050 0.000 0.819 167 A HN 0.467 nan 8.150 nan 0.000 0.442 168 L N -0.264 120.955 121.223 -0.006 0.000 2.046 168 L HA -0.202 3.714 4.340 -0.706 0.000 0.208 168 L C 2.242 179.126 176.870 0.024 0.000 1.077 168 L CA 1.227 56.070 54.840 0.005 0.000 0.747 168 L CB -0.713 41.355 42.059 0.014 0.000 0.896 168 L HN 0.360 nan 8.230 nan 0.000 0.432 169 N N 0.459 119.182 118.700 0.039 0.000 2.166 169 N HA -0.154 4.162 4.740 -0.706 0.000 0.186 169 N C 1.868 177.432 175.510 0.090 0.000 1.019 169 N CA 1.529 54.621 53.050 0.070 0.000 0.856 169 N CB -0.327 38.214 38.487 0.090 0.000 0.993 169 N HN 0.312 nan 8.380 nan 0.000 0.426 170 A N 0.982 123.826 122.820 0.039 0.000 1.933 170 A HA -0.076 3.821 4.320 -0.706 0.000 0.218 170 A C 2.135 179.820 177.584 0.168 0.000 1.175 170 A CA 1.178 53.259 52.037 0.073 0.000 0.628 170 A CB -0.280 18.591 19.000 -0.215 0.000 0.814 170 A HN 0.090 nan 8.150 nan 0.000 0.444 171 M N -0.687 118.946 119.600 0.055 0.000 2.175 171 M HA -0.092 3.965 4.480 -0.706 0.000 0.264 171 M C 1.970 178.304 176.300 0.057 0.000 1.063 171 M CA 1.629 56.954 55.300 0.042 0.000 1.119 171 M CB -1.353 31.245 32.600 -0.003 0.000 1.377 171 M HN 0.692 nan 8.290 nan 0.000 0.415 172 E N 0.314 120.551 120.200 0.062 0.000 2.204 172 E HA -0.089 3.838 4.350 -0.706 0.000 0.194 172 E C 1.661 178.303 176.600 0.070 0.000 0.989 172 E CA 1.071 57.505 56.400 0.057 0.000 0.824 172 E CB 0.135 29.869 29.700 0.057 0.000 0.756 172 E HN 0.437 nan 8.360 nan 0.000 0.477 173 A N -0.166 122.721 122.820 0.112 0.000 2.238 173 A HA 0.235 4.131 4.320 -0.706 0.000 0.208 173 A C 1.679 179.243 177.584 -0.033 0.000 1.177 173 A CA 0.898 52.994 52.037 0.098 0.000 0.804 173 A CB -0.323 18.825 19.000 0.246 0.000 0.823 173 A HN 0.465 nan 8.150 nan 0.000 0.482 174 G N -2.051 106.753 108.800 0.007 0.000 2.175 174 G HA2 -0.246 3.290 3.960 -0.706 0.000 0.244 174 G HA3 -0.246 3.290 3.960 -0.706 0.000 0.244 174 G C 0.063 174.967 174.900 0.006 0.000 0.982 174 G CA 0.004 45.103 45.100 -0.003 0.000 0.641 174 G HN 0.323 nan 8.290 nan 0.000 0.527 175 F N 1.196 121.136 119.950 -0.017 0.000 2.496 175 F HA 0.303 4.410 4.527 -0.699 0.000 0.344 175 F C 1.608 177.366 175.800 -0.070 0.000 1.155 175 F CA 0.453 58.407 58.000 -0.076 0.000 1.302 175 F CB 0.569 39.438 39.000 -0.219 0.000 1.159 175 F HN -0.027 nan 8.300 nan 0.000 0.595 176 D N 0.827 121.325 120.400 0.163 0.000 2.323 176 D HA 0.179 4.396 4.640 -0.706 0.000 0.209 176 D C 0.854 176.901 176.300 -0.423 0.000 0.973 176 D CA 0.768 54.786 54.000 0.031 0.000 0.874 176 D CB 0.448 41.421 40.800 0.288 0.000 0.930 176 D HN 0.652 nan 8.370 nan 0.000 0.521 177 G N 0.469 108.713 108.800 -0.927 0.000 2.340 177 G HA2 0.427 3.964 3.960 -0.706 0.000 0.299 177 G HA3 0.427 3.964 3.960 -0.706 0.000 0.299 177 G C -1.845 172.348 174.900 -1.178 0.000 1.291 177 G CA -0.699 43.492 45.100 -1.515 0.000 0.841 177 G HN 0.076 nan 8.290 nan 0.000 0.500 178 I N -2.679 117.420 120.570 -0.786 0.000 2.828 178 I HA 0.878 4.624 4.170 -0.706 0.000 0.302 178 I C -0.709 175.361 176.117 -0.079 0.000 1.101 178 I CA -1.212 59.872 61.300 -0.361 0.000 1.031 178 I CB 2.582 40.407 38.000 -0.292 0.000 1.231 178 I HN 0.614 nan 8.210 nan 0.000 0.427 179 E N 3.708 123.893 120.200 -0.025 0.000 2.165 179 E HA 0.446 4.372 4.350 -0.706 0.000 0.266 179 E C -1.614 174.952 176.600 -0.056 0.000 0.889 179 E CA -1.011 55.383 56.400 -0.011 0.000 0.756 179 E CB 1.803 31.580 29.700 0.127 0.000 1.131 179 E HN 0.784 nan 8.360 nan 0.000 0.411 180 L N 5.750 126.916 121.223 -0.095 0.000 2.315 180 L HA 0.175 4.091 4.340 -0.706 0.000 0.283 180 L C -0.572 176.324 176.870 0.043 0.000 1.089 180 L CA -0.178 54.622 54.840 -0.066 0.000 0.833 180 L CB 0.443 42.380 42.059 -0.204 0.000 1.170 180 L HN 0.571 nan 8.230 nan 0.000 0.442 181 H N 5.264 124.359 119.070 0.042 0.000 3.089 181 H HA 0.415 4.474 4.556 -0.828 0.000 0.262 181 H C 0.046 175.475 175.328 0.169 0.000 1.160 181 H CA 0.236 56.333 56.048 0.081 0.000 1.482 181 H CB 0.723 30.531 29.762 0.076 0.000 1.511 181 H HN 0.721 nan 8.280 nan 0.000 0.483 182 A N 3.997 127.041 122.820 0.374 0.000 2.594 182 A HA 0.619 4.515 4.320 -0.706 0.000 0.287 182 A C 0.610 178.385 177.584 0.317 0.000 1.227 182 A CA 0.284 52.477 52.037 0.260 0.000 0.952 182 A CB 0.008 19.075 19.000 0.112 0.000 1.161 182 A HN 0.677 nan 8.150 nan 0.000 0.524 183 A N -0.602 122.508 122.820 0.483 0.000 2.578 183 A HA 0.623 4.519 4.320 -0.706 0.000 0.255 183 A C 0.287 178.086 177.584 0.357 0.000 1.251 183 A CA -0.435 51.831 52.037 0.381 0.000 0.882 183 A CB 0.155 19.328 19.000 0.289 0.000 1.416 183 A HN 0.348 nan 8.150 nan 0.000 0.462 184 N N -0.591 118.269 118.700 0.266 0.000 2.701 184 N HA -0.210 4.107 4.740 -0.706 0.000 0.252 184 N C 0.879 176.247 175.510 -0.237 0.000 1.002 184 N CA 2.397 55.521 53.050 0.123 0.000 0.758 184 N CB -1.522 37.170 38.487 0.343 0.000 0.937 184 N HN 2.111 nan 8.380 nan 0.000 0.538 185 G N -2.742 105.979 108.800 -0.131 0.000 2.155 185 G HA2 -0.388 3.149 3.960 -0.706 0.000 0.257 185 G HA3 -0.388 3.149 3.960 -0.706 0.000 0.257 185 G C 0.254 174.985 174.900 -0.282 0.000 0.983 185 G CA 0.734 45.717 45.100 -0.195 0.000 0.676 185 G HN 0.572 nan 8.290 nan 0.000 0.528 186 Y N -1.520 118.856 120.300 0.127 0.000 2.370 186 Y HA 0.506 4.662 4.550 -0.657 0.000 0.377 186 Y C 1.907 177.912 175.900 0.174 0.000 1.371 186 Y CA -0.495 57.687 58.100 0.136 0.000 1.756 186 Y CB -0.122 38.414 38.460 0.126 0.000 1.693 186 Y HN 0.047 nan 8.280 nan 0.000 0.595 187 L N 0.720 122.191 121.223 0.413 0.000 1.991 187 L HA -0.288 3.629 4.340 -0.706 0.000 0.221 187 L C 1.846 178.989 176.870 0.454 0.000 1.079 187 L CA 1.919 56.970 54.840 0.352 0.000 0.778 187 L CB -0.972 41.246 42.059 0.265 0.000 0.893 187 L HN 0.678 nan 8.230 nan 0.000 0.437 188 I N -0.561 120.277 120.570 0.447 0.000 2.286 188 I HA -0.283 3.463 4.170 -0.706 0.000 0.248 188 I C 2.227 178.577 176.117 0.388 0.000 1.115 188 I CA 1.334 62.896 61.300 0.437 0.000 1.392 188 I CB -0.622 37.503 38.000 0.208 0.000 1.065 188 I HN 0.448 nan 8.210 nan 0.000 0.418 189 N N 1.192 120.076 118.700 0.307 0.000 2.223 189 N HA -0.204 4.112 4.740 -0.706 0.000 0.185 189 N C 1.799 177.439 175.510 0.216 0.000 1.016 189 N CA 1.397 54.599 53.050 0.253 0.000 0.863 189 N CB -0.039 38.572 38.487 0.205 0.000 0.983 189 N HN 0.434 nan 8.380 nan 0.000 0.429 190 Q N -1.627 118.298 119.800 0.209 0.000 2.364 190 Q HA -0.023 3.894 4.340 -0.706 0.000 0.207 190 Q C 1.066 177.066 176.000 -0.001 0.000 0.970 190 Q CA 0.862 56.711 55.803 0.078 0.000 0.888 190 Q CB 0.007 28.758 28.738 0.022 0.000 0.951 190 Q HN 0.383 nan 8.270 nan 0.000 0.469 191 F N -0.851 119.142 119.950 0.070 0.000 2.383 191 F HA 0.071 4.171 4.527 -0.712 0.000 0.287 191 F C 1.778 177.623 175.800 0.076 0.000 1.069 191 F CA 0.293 58.334 58.000 0.067 0.000 1.402 191 F CB 0.096 39.171 39.000 0.125 0.000 1.116 191 F HN -0.028 nan 8.300 nan 0.000 0.549 192 I N -0.355 120.380 120.570 0.275 0.000 2.142 192 I HA -0.215 3.531 4.170 -0.706 0.000 0.240 192 I C 0.062 176.229 176.117 0.085 0.000 1.078 192 I CA 1.032 62.410 61.300 0.130 0.000 1.343 192 I CB -0.460 37.581 38.000 0.068 0.000 1.046 192 I HN -0.091 nan 8.210 nan 0.000 0.405 193 D N 1.021 121.496 120.400 0.125 0.000 2.371 193 D HA 0.024 4.240 4.640 -0.706 0.000 0.256 193 D C 1.423 177.761 176.300 0.063 0.000 1.193 193 D CA 0.227 54.298 54.000 0.118 0.000 0.881 193 D CB 1.318 42.203 40.800 0.142 0.000 1.143 193 D HN 0.162 nan 8.370 nan 0.000 0.473 194 S N 2.716 118.448 115.700 0.053 0.000 2.374 194 S HA -0.237 3.810 4.470 -0.706 0.000 0.227 194 S C 1.277 175.884 174.600 0.011 0.000 1.037 194 S CA 0.921 59.137 58.200 0.027 0.000 1.024 194 S CB -0.075 63.141 63.200 0.027 0.000 0.861 194 S HN 0.405 nan 8.310 nan 0.000 0.456 195 E N 1.504 121.714 120.200 0.017 0.000 2.482 195 E HA 0.258 4.184 4.350 -0.706 0.000 0.196 195 E C 1.625 178.217 176.600 -0.012 0.000 1.047 195 E CA 0.793 57.195 56.400 0.003 0.000 0.869 195 E CB -0.321 29.385 29.700 0.010 0.000 0.836 195 E HN 0.763 nan 8.360 nan 0.000 0.520 196 A N 0.653 123.463 122.820 -0.017 0.000 2.390 196 A HA 0.109 4.005 4.320 -0.706 0.000 0.232 196 A C 0.642 178.167 177.584 -0.099 0.000 1.233 196 A CA -0.264 51.746 52.037 -0.046 0.000 0.907 196 A CB -0.143 18.841 19.000 -0.026 0.000 0.967 196 A HN 0.129 nan 8.150 nan 0.000 0.512 197 N N 0.917 119.565 118.700 -0.086 0.000 2.524 197 N HA 0.193 4.510 4.740 -0.706 0.000 0.261 197 N C -0.403 175.056 175.510 -0.086 0.000 0.998 197 N CA -0.257 52.713 53.050 -0.133 0.000 0.915 197 N CB 0.364 38.786 38.487 -0.108 0.000 1.187 197 N HN 0.429 nan 8.380 nan 0.000 0.507 198 N N 2.637 121.278 118.700 -0.098 0.000 2.338 198 N HA 0.148 4.465 4.740 -0.706 0.000 0.251 198 N C -0.531 174.945 175.510 -0.057 0.000 1.199 198 N CA -0.633 52.380 53.050 -0.062 0.000 0.879 198 N CB 0.588 39.042 38.487 -0.055 0.000 1.159 198 N HN 0.253 nan 8.380 nan 0.000 0.514 199 R N 0.667 121.127 120.500 -0.065 0.000 2.643 199 R HA 0.067 3.984 4.340 -0.706 0.000 0.270 199 R C 0.793 177.092 176.300 -0.001 0.000 1.061 199 R CA 0.219 56.298 56.100 -0.034 0.000 1.107 199 R CB 0.729 31.023 30.300 -0.010 0.000 0.999 199 R HN 0.334 nan 8.270 nan 0.000 0.460 200 S N -0.708 114.997 115.700 0.008 0.000 2.539 200 S HA -0.012 4.034 4.470 -0.706 0.000 0.221 200 S C 0.289 174.904 174.600 0.025 0.000 0.987 200 S CA -0.423 57.783 58.200 0.011 0.000 0.929 200 S CB -0.112 63.089 63.200 0.002 0.000 0.832 200 S HN 0.703 nan 8.310 nan 0.000 0.492 201 D N 2.257 122.688 120.400 0.051 0.000 2.496 201 D HA 0.057 4.274 4.640 -0.706 0.000 0.283 201 D C 1.188 177.515 176.300 0.045 0.000 1.214 201 D CA -0.542 53.497 54.000 0.064 0.000 1.089 201 D CB 0.035 40.905 40.800 0.117 0.000 1.141 201 D HN 0.266 nan 8.370 nan 0.000 0.580 202 E N -1.068 119.129 120.200 -0.005 0.000 2.515 202 E HA -0.194 3.732 4.350 -0.706 0.000 0.201 202 E C 0.368 176.803 176.600 -0.275 0.000 1.071 202 E CA 0.694 56.997 56.400 -0.162 0.000 0.880 202 E CB -0.493 29.044 29.700 -0.271 0.000 0.828 202 E HN 0.502 nan 8.360 nan 0.000 0.540 203 Y N 0.539 120.893 120.300 0.089 0.000 2.555 203 Y HA 0.419 4.545 4.550 -0.705 0.000 0.259 203 Y C 0.928 176.919 175.900 0.152 0.000 1.179 203 Y CA 0.111 58.309 58.100 0.164 0.000 1.230 203 Y CB 1.405 40.021 38.460 0.259 0.000 1.146 203 Y HN 0.135 nan 8.280 nan 0.000 0.526 204 G N -2.504 106.389 108.800 0.154 0.000 2.649 204 G HA2 0.461 3.998 3.960 -0.706 0.000 0.290 204 G HA3 0.461 3.998 3.960 -0.706 0.000 0.290 204 G C 0.396 175.321 174.900 0.041 0.000 1.426 204 G CA -0.234 44.918 45.100 0.087 0.000 0.794 204 G HN 0.272 nan 8.290 nan 0.000 0.483 205 G N -1.062 107.752 108.800 0.024 0.000 2.284 205 G HA2 0.066 3.603 3.960 -0.706 0.000 0.230 205 G HA3 0.066 3.603 3.960 -0.706 0.000 0.230 205 G C 0.708 175.613 174.900 0.009 0.000 1.021 205 G CA 1.192 46.299 45.100 0.011 0.000 0.619 205 G HN 2.371 nan 8.290 nan 0.000 0.510 206 S N -0.737 114.970 115.700 0.011 0.000 2.627 206 S HA 0.725 4.771 4.470 -0.706 0.000 0.283 206 S C 0.742 175.349 174.600 0.012 0.000 1.127 206 S CA 0.121 58.324 58.200 0.006 0.000 0.863 206 S CB 2.055 65.254 63.200 -0.002 0.000 1.121 206 S HN 1.285 nan 8.310 nan 0.000 0.479 207 L N 1.312 122.539 121.223 0.007 0.000 2.046 207 L HA 0.069 3.985 4.340 -0.706 0.000 0.208 207 L C 2.435 179.309 176.870 0.006 0.000 1.077 207 L CA 2.424 57.267 54.840 0.005 0.000 0.747 207 L CB -1.029 41.031 42.059 0.001 0.000 0.896 207 L HN 1.036 nan 8.230 nan 0.000 0.432 208 E N -0.761 119.440 120.200 0.001 0.000 2.085 208 E HA -0.261 3.666 4.350 -0.706 0.000 0.194 208 E C 1.807 178.405 176.600 -0.004 0.000 0.994 208 E CA 1.433 57.831 56.400 -0.004 0.000 0.801 208 E CB -0.023 29.669 29.700 -0.014 0.000 0.743 208 E HN 0.568 nan 8.360 nan 0.000 0.453 209 N N 0.461 119.159 118.700 -0.004 0.000 2.142 209 N HA -0.103 4.214 4.740 -0.706 0.000 0.186 209 N C 1.674 177.234 175.510 0.084 0.000 1.023 209 N CA 0.897 53.944 53.050 -0.005 0.000 0.852 209 N CB -0.224 38.260 38.487 -0.004 0.000 0.998 209 N HN 0.151 nan 8.380 nan 0.000 0.424 210 R N 0.213 120.769 120.500 0.093 0.000 2.148 210 R HA 0.080 3.997 4.340 -0.706 0.000 0.227 210 R C 1.485 177.883 176.300 0.164 0.000 1.103 210 R CA 0.635 56.825 56.100 0.151 0.000 0.983 210 R CB -0.109 30.243 30.300 0.086 0.000 0.874 210 R HN 0.248 nan 8.270 nan 0.000 0.451 211 L N -0.382 120.894 121.223 0.089 0.000 2.567 211 L HA 0.094 4.011 4.340 -0.706 0.000 0.225 211 L C 2.364 179.285 176.870 0.085 0.000 1.119 211 L CA 0.069 54.947 54.840 0.064 0.000 0.871 211 L CB -0.184 41.883 42.059 0.012 0.000 1.036 211 L HN 0.108 nan 8.230 nan 0.000 0.459 212 R N 0.463 121.030 120.500 0.112 0.000 2.083 212 R HA -0.238 3.678 4.340 -0.706 0.000 0.237 212 R C 2.302 178.735 176.300 0.222 0.000 1.137 212 R CA 1.865 58.025 56.100 0.101 0.000 0.951 212 R CB -0.287 29.973 30.300 -0.066 0.000 0.851 212 R HN 0.197 nan 8.270 nan 0.000 0.434 213 F N 1.201 121.222 119.950 0.117 0.000 2.102 213 F HA -0.201 3.900 4.527 -0.711 0.000 0.298 213 F C 1.933 177.644 175.800 -0.148 0.000 1.105 213 F CA 1.378 59.313 58.000 -0.108 0.000 1.239 213 F CB -0.634 37.969 39.000 -0.660 0.000 0.991 213 F HN 0.096 nan 8.300 nan 0.000 0.474 214 L N 0.668 121.822 121.223 -0.114 0.000 2.012 214 L HA -0.217 3.699 4.340 -0.706 0.000 0.210 214 L C 2.040 178.766 176.870 -0.240 0.000 1.073 214 L CA 2.536 57.238 54.840 -0.230 0.000 0.748 214 L CB -1.298 40.706 42.059 -0.092 0.000 0.891 214 L HN 0.234 nan 8.230 nan 0.000 0.431 215 D N -0.694 119.650 120.400 -0.092 0.000 2.104 215 D HA -0.238 3.979 4.640 -0.706 0.000 0.194 215 D C 2.009 178.262 176.300 -0.078 0.000 0.994 215 D CA 1.859 55.850 54.000 -0.014 0.000 0.830 215 D CB -0.046 40.805 40.800 0.085 0.000 0.959 215 D HN 0.586 nan 8.370 nan 0.000 0.452 216 E N -0.591 119.562 120.200 -0.079 0.000 2.106 216 E HA -0.099 3.828 4.350 -0.706 0.000 0.192 216 E C 2.332 178.803 176.600 -0.215 0.000 0.984 216 E CA 0.660 57.013 56.400 -0.079 0.000 0.806 216 E CB 0.159 29.876 29.700 0.029 0.000 0.750 216 E HN 0.178 nan 8.360 nan 0.000 0.458 217 V N 0.886 120.546 119.914 -0.424 0.000 2.307 217 V HA -0.214 3.482 4.120 -0.706 0.000 0.245 217 V C 2.307 178.146 176.094 -0.425 0.000 1.045 217 V CA 1.249 63.236 62.300 -0.522 0.000 1.024 217 V CB -0.261 31.023 31.823 -0.898 0.000 0.651 217 V HN 0.132 nan 8.190 nan 0.000 0.449 218 V N 0.342 119.981 119.914 -0.457 0.000 2.407 218 V HA -0.245 3.452 4.120 -0.706 0.000 0.248 218 V C 2.704 178.555 176.094 -0.405 0.000 1.055 218 V CA 1.892 63.898 62.300 -0.490 0.000 1.049 218 V CB -1.102 30.305 31.823 -0.693 0.000 0.662 218 V HN 0.557 nan 8.190 nan 0.000 0.455 219 A N 0.077 122.718 122.820 -0.299 0.000 1.908 219 A HA -0.158 3.738 4.320 -0.706 0.000 0.218 219 A C 2.426 179.973 177.584 -0.061 0.000 1.181 219 A CA 2.209 54.216 52.037 -0.050 0.000 0.627 219 A CB -0.754 18.290 19.000 0.074 0.000 0.818 219 A HN 0.575 nan 8.150 nan 0.000 0.445 220 A N -0.381 122.381 122.820 -0.097 0.000 1.898 220 A HA 0.013 3.910 4.320 -0.706 0.000 0.216 220 A C 2.173 179.712 177.584 -0.074 0.000 1.181 220 A CA 1.418 53.415 52.037 -0.066 0.000 0.620 220 A CB -0.569 18.394 19.000 -0.061 0.000 0.819 220 A HN 0.469 nan 8.150 nan 0.000 0.442 221 L N -0.622 120.526 121.223 -0.124 0.000 2.017 221 L HA -0.156 3.760 4.340 -0.706 0.000 0.208 221 L C 2.522 179.334 176.870 -0.097 0.000 1.073 221 L CA 1.090 55.859 54.840 -0.118 0.000 0.745 221 L CB -0.615 41.336 42.059 -0.179 0.000 0.894 221 L HN 0.233 nan 8.230 nan 0.000 0.432 222 V N -0.035 119.821 119.914 -0.096 0.000 2.343 222 V HA -0.316 3.381 4.120 -0.706 0.000 0.247 222 V C 2.178 178.255 176.094 -0.028 0.000 1.051 222 V CA 2.143 64.412 62.300 -0.052 0.000 1.036 222 V CB -0.477 31.340 31.823 -0.010 0.000 0.654 222 V HN 0.478 nan 8.190 nan 0.000 0.451 223 D N 0.032 120.418 120.400 -0.022 0.000 2.144 223 D HA -0.134 4.082 4.640 -0.706 0.000 0.199 223 D C 2.087 178.377 176.300 -0.017 0.000 0.984 223 D CA 1.501 55.494 54.000 -0.011 0.000 0.834 223 D CB -0.085 40.711 40.800 -0.006 0.000 0.955 223 D HN 0.391 nan 8.370 nan 0.000 0.465 224 A N 0.218 123.022 122.820 -0.026 0.000 1.872 224 A HA 0.014 3.911 4.320 -0.706 0.000 0.214 224 A C 2.216 179.781 177.584 -0.031 0.000 1.187 224 A CA 1.608 53.630 52.037 -0.024 0.000 0.614 224 A CB -0.516 18.469 19.000 -0.024 0.000 0.826 224 A HN 0.504 nan 8.150 nan 0.000 0.442 225 I N -5.609 114.933 120.570 -0.046 0.000 4.338 225 I HA 0.565 4.311 4.170 -0.706 0.000 0.329 225 I C 0.585 176.671 176.117 -0.052 0.000 1.378 225 I CA 0.147 61.414 61.300 -0.054 0.000 1.170 225 I CB 0.421 38.372 38.000 -0.082 0.000 1.206 225 I HN 0.503 nan 8.210 nan 0.000 0.432 226 G N 1.509 110.284 108.800 -0.041 0.000 2.907 226 G HA2 0.028 3.565 3.960 -0.706 0.000 0.686 226 G HA3 0.028 3.565 3.960 -0.706 0.000 0.686 226 G C 0.441 175.324 174.900 -0.028 0.000 1.115 226 G CA -0.330 44.754 45.100 -0.027 0.000 0.760 226 G HN 0.554 nan 8.290 nan 0.000 0.620 227 A N 0.838 123.654 122.820 -0.006 0.000 1.972 227 A HA 0.036 3.932 4.320 -0.706 0.000 0.219 227 A C 1.943 179.537 177.584 0.016 0.000 1.169 227 A CA 2.200 54.240 52.037 0.005 0.000 0.635 227 A CB -0.305 18.715 19.000 0.033 0.000 0.810 227 A HN 0.859 nan 8.150 nan 0.000 0.446 228 E N -0.684 119.530 120.200 0.025 0.000 2.409 228 E HA -0.104 3.823 4.350 -0.706 0.000 0.198 228 E C 1.157 177.805 176.600 0.080 0.000 1.024 228 E CA 0.518 56.952 56.400 0.057 0.000 0.861 228 E CB -0.051 29.678 29.700 0.048 0.000 0.788 228 E HN 0.533 nan 8.360 nan 0.000 0.521 229 R N 0.357 120.858 120.500 0.001 0.000 2.577 229 R HA 0.193 4.110 4.340 -0.706 0.000 0.344 229 R C -0.598 175.601 176.300 -0.169 0.000 1.037 229 R CA -0.064 55.974 56.100 -0.104 0.000 1.102 229 R CB 1.313 31.502 30.300 -0.185 0.000 1.313 229 R HN -0.126 nan 8.270 nan 0.000 0.561 230 V N 0.576 120.448 119.914 -0.070 0.000 2.444 230 V HA 0.575 4.271 4.120 -0.706 0.000 0.294 230 V C 0.282 176.241 176.094 -0.226 0.000 1.022 230 V CA -0.838 61.377 62.300 -0.142 0.000 0.850 230 V CB 1.654 33.388 31.823 -0.148 0.000 0.992 230 V HN 0.280 nan 8.190 nan 0.000 0.426 231 G N 3.079 111.631 108.800 -0.414 0.000 2.473 231 G HA2 0.746 4.282 3.960 -0.706 0.000 0.321 231 G HA3 0.746 4.282 3.960 -0.706 0.000 0.321 231 G C -1.481 173.114 174.900 -0.508 0.000 1.200 231 G CA -0.667 43.841 45.100 -0.987 0.000 0.963 231 G HN 0.551 nan 8.290 nan 0.000 0.483 232 V N 0.321 120.016 119.914 -0.365 0.000 2.760 232 V HA 0.572 4.268 4.120 -0.706 0.000 0.309 232 V C -0.218 175.844 176.094 -0.053 0.000 1.077 232 V CA -0.913 61.283 62.300 -0.174 0.000 0.910 232 V CB 2.034 33.745 31.823 -0.186 0.000 1.008 232 V HN 0.816 nan 8.190 nan 0.000 0.424 233 R N 3.574 124.059 120.500 -0.025 0.000 2.393 233 R HA 0.824 4.741 4.340 -0.706 0.000 0.310 233 R C -1.583 174.727 176.300 0.017 0.000 0.968 233 R CA -0.466 55.602 56.100 -0.052 0.000 0.867 233 R CB 1.174 31.341 30.300 -0.222 0.000 1.124 233 R HN 0.700 nan 8.270 nan 0.000 0.450 234 L N 2.196 123.421 121.223 0.004 0.000 2.333 234 L HA 0.724 4.640 4.340 -0.706 0.000 0.263 234 L C -0.660 176.223 176.870 0.022 0.000 1.014 234 L CA -1.143 53.764 54.840 0.112 0.000 0.820 234 L CB 2.313 44.498 42.059 0.211 0.000 1.352 234 L HN 0.739 nan 8.230 nan 0.000 0.421 235 A N 1.550 124.382 122.820 0.019 0.000 2.893 235 A HA 0.574 4.470 4.320 -0.706 0.000 0.333 235 A C -2.282 175.079 177.584 -0.372 0.000 1.152 235 A CA -1.119 50.863 52.037 -0.091 0.000 0.782 235 A CB 0.434 19.443 19.000 0.015 0.000 1.108 235 A HN 0.491 nan 8.150 nan 0.000 0.469 236 P HA -0.115 nan 4.420 nan 0.000 0.215 236 P C 0.996 178.024 177.300 -0.454 0.000 1.153 236 P CA 1.154 63.569 63.100 -1.142 0.000 0.853 236 P CB 0.251 31.714 31.700 -0.396 0.000 0.788 237 L N -2.951 118.176 121.223 -0.159 0.000 2.672 237 L HA 0.169 4.086 4.340 -0.706 0.000 0.236 237 L C 0.957 177.817 176.870 -0.015 0.000 1.092 237 L CA 0.034 54.842 54.840 -0.053 0.000 0.887 237 L CB -0.739 41.329 42.059 0.015 0.000 1.168 237 L HN -0.050 nan 8.230 nan 0.000 0.502 238 T N -1.980 112.570 114.554 -0.007 0.000 2.898 238 T HA 0.225 4.151 4.350 -0.706 0.000 0.301 238 T C 0.844 175.563 174.700 0.031 0.000 1.049 238 T CA 0.294 62.411 62.100 0.028 0.000 1.095 238 T CB 1.300 70.197 68.868 0.047 0.000 0.976 238 T HN 0.250 nan 8.240 nan 0.000 0.539 239 T N -1.020 113.562 114.554 0.047 0.000 3.328 239 T HA 0.148 4.075 4.350 -0.706 0.000 0.305 239 T C 1.322 176.054 174.700 0.053 0.000 0.939 239 T CA -0.405 61.721 62.100 0.044 0.000 0.950 239 T CB -0.131 68.759 68.868 0.036 0.000 1.182 239 T HN 0.334 nan 8.240 nan 0.000 0.545 240 L N 2.471 123.742 121.223 0.080 0.000 2.021 240 L HA 0.016 3.932 4.340 -0.706 0.000 0.215 240 L C 1.425 178.345 176.870 0.084 0.000 1.074 240 L CA 1.842 56.745 54.840 0.105 0.000 0.760 240 L CB -0.722 41.446 42.059 0.181 0.000 0.889 240 L HN 0.262 nan 8.230 nan 0.000 0.433 241 N N -0.117 118.616 118.700 0.054 0.000 2.362 241 N HA 0.145 4.462 4.740 -0.706 0.000 0.204 241 N C 1.148 176.653 175.510 -0.010 0.000 1.166 241 N CA 0.874 53.931 53.050 0.010 0.000 0.831 241 N CB 0.282 38.709 38.487 -0.099 0.000 1.008 241 N HN 0.558 nan 8.380 nan 0.000 0.472 242 G N 0.136 108.942 108.800 0.010 0.000 2.176 242 G HA2 -0.256 3.280 3.960 -0.706 0.000 0.232 242 G HA3 -0.256 3.280 3.960 -0.706 0.000 0.232 242 G C 0.177 175.080 174.900 0.006 0.000 0.986 242 G CA 0.400 45.503 45.100 0.006 0.000 0.643 242 G HN 0.436 nan 8.290 nan 0.000 0.522 243 T N -1.241 113.320 114.554 0.012 0.000 2.758 243 T HA 0.729 4.655 4.350 -0.706 0.000 0.285 243 T C -0.361 174.368 174.700 0.049 0.000 0.981 243 T CA -0.596 61.523 62.100 0.031 0.000 0.965 243 T CB 2.700 71.597 68.868 0.048 0.000 0.927 243 T HN 0.853 nan 8.240 nan 0.000 0.448 244 V N 2.766 122.709 119.914 0.049 0.000 2.656 244 V HA 0.570 4.266 4.120 -0.706 0.000 0.307 244 V C -0.709 175.427 176.094 0.070 0.000 1.051 244 V CA -0.867 61.465 62.300 0.054 0.000 0.893 244 V CB 2.019 33.862 31.823 0.034 0.000 0.999 244 V HN 1.035 nan 8.190 nan 0.000 0.426 245 D N 2.331 122.788 120.400 0.095 0.000 2.248 245 D HA 0.688 4.905 4.640 -0.706 0.000 0.246 245 D C 0.765 177.105 176.300 0.068 0.000 1.027 245 D CA 0.083 54.147 54.000 0.107 0.000 0.853 245 D CB 2.369 43.290 40.800 0.202 0.000 1.243 245 D HN 0.573 nan 8.370 nan 0.000 0.462 246 A N 3.012 125.861 122.820 0.048 0.000 1.969 246 A HA -0.006 3.891 4.320 -0.706 0.000 0.218 246 A C 0.944 178.541 177.584 0.021 0.000 1.169 246 A CA 1.058 53.111 52.037 0.027 0.000 0.635 246 A CB 0.006 19.017 19.000 0.019 0.000 0.810 246 A HN 0.540 nan 8.150 nan 0.000 0.445 247 D N -1.817 118.602 120.400 0.032 0.000 2.656 247 D HA 0.209 4.426 4.640 -0.706 0.000 0.303 247 D C -2.002 174.324 176.300 0.044 0.000 1.199 247 D CA -1.647 52.363 54.000 0.017 0.000 0.797 247 D CB 0.935 41.743 40.800 0.014 0.000 1.170 247 D HN 0.101 nan 8.370 nan 0.000 0.509 248 P HA -0.139 nan 4.420 nan 0.000 0.218 248 P C 1.746 179.087 177.300 0.069 0.000 1.148 248 P CA 0.380 63.577 63.100 0.161 0.000 0.822 248 P CB 0.683 32.414 31.700 0.053 0.000 0.784 249 I N -0.583 119.875 120.570 -0.187 0.000 2.179 249 I HA -0.185 3.562 4.170 -0.706 0.000 0.242 249 I C 2.521 178.661 176.117 0.040 0.000 1.088 249 I CA 1.083 62.199 61.300 -0.307 0.000 1.357 249 I CB -1.710 36.107 38.000 -0.306 0.000 1.051 249 I HN -0.012 nan 8.210 nan 0.000 0.409 250 L N 0.661 121.906 121.223 0.038 0.000 2.005 250 L HA -0.137 3.780 4.340 -0.706 0.000 0.207 250 L C 2.494 179.411 176.870 0.079 0.000 1.072 250 L CA 2.070 56.949 54.840 0.065 0.000 0.744 250 L CB -1.108 40.972 42.059 0.034 0.000 0.895 250 L HN 0.132 nan 8.230 nan 0.000 0.433 251 T N -1.006 113.586 114.554 0.065 0.000 2.684 251 T HA -0.233 3.693 4.350 -0.706 0.000 0.267 251 T C 1.697 176.331 174.700 -0.110 0.000 1.036 251 T CA 2.334 64.413 62.100 -0.034 0.000 1.148 251 T CB -0.503 68.323 68.868 -0.071 0.000 0.863 251 T HN 0.392 nan 8.240 nan 0.000 0.436 252 Y N 0.990 121.379 120.300 0.149 0.000 2.420 252 Y HA 0.033 4.158 4.550 -0.709 0.000 0.292 252 Y C 2.901 178.935 175.900 0.222 0.000 1.119 252 Y CA 0.590 58.814 58.100 0.207 0.000 1.229 252 Y CB -0.549 38.101 38.460 0.317 0.000 1.026 252 Y HN 0.151 nan 8.280 nan 0.000 0.554 253 T N -0.321 114.453 114.554 0.367 0.000 2.857 253 T HA -0.152 3.775 4.350 -0.706 0.000 0.266 253 T C 2.246 177.040 174.700 0.158 0.000 1.048 253 T CA 1.176 63.444 62.100 0.279 0.000 1.139 253 T CB -0.441 68.591 68.868 0.272 0.000 0.874 253 T HN 0.417 nan 8.240 nan 0.000 0.455 254 A N 1.535 124.421 122.820 0.109 0.000 1.902 254 A HA 0.166 4.062 4.320 -0.706 0.000 0.217 254 A C 2.643 180.252 177.584 0.042 0.000 1.181 254 A CA 1.789 53.861 52.037 0.058 0.000 0.623 254 A CB -1.115 17.900 19.000 0.025 0.000 0.818 254 A HN 0.491 nan 8.150 nan 0.000 0.443 255 A N -0.086 122.739 122.820 0.007 0.000 1.902 255 A HA 0.129 4.026 4.320 -0.706 0.000 0.217 255 A C 2.511 180.123 177.584 0.047 0.000 1.181 255 A CA 2.195 54.224 52.037 -0.013 0.000 0.623 255 A CB -1.045 17.886 19.000 -0.116 0.000 0.818 255 A HN 1.080 nan 8.150 nan 0.000 0.443 256 A N -0.178 122.696 122.820 0.090 0.000 1.902 256 A HA 0.139 4.036 4.320 -0.706 0.000 0.217 256 A C 2.500 180.183 177.584 0.164 0.000 1.181 256 A CA 2.164 54.269 52.037 0.113 0.000 0.623 256 A CB -0.997 18.087 19.000 0.141 0.000 0.818 256 A HN 1.083 nan 8.150 nan 0.000 0.443 257 A N -0.636 122.262 122.820 0.129 0.000 1.930 257 A HA 0.018 3.915 4.320 -0.706 0.000 0.217 257 A C 2.118 179.760 177.584 0.097 0.000 1.175 257 A CA 1.658 53.761 52.037 0.109 0.000 0.627 257 A CB -0.557 18.489 19.000 0.076 0.000 0.815 257 A HN 0.710 nan 8.150 nan 0.000 0.443 258 L N -0.156 121.119 121.223 0.087 0.000 2.017 258 L HA -0.074 3.842 4.340 -0.706 0.000 0.208 258 L C 2.191 179.166 176.870 0.174 0.000 1.073 258 L CA 1.718 56.612 54.840 0.091 0.000 0.745 258 L CB -0.518 41.589 42.059 0.081 0.000 0.894 258 L HN 0.385 nan 8.230 nan 0.000 0.432 259 L N -0.270 121.054 121.223 0.167 0.000 2.141 259 L HA -0.190 3.726 4.340 -0.706 0.000 0.209 259 L C 2.462 179.496 176.870 0.274 0.000 1.094 259 L CA 1.375 56.328 54.840 0.188 0.000 0.763 259 L CB -0.868 41.204 42.059 0.022 0.000 0.908 259 L HN 0.515 nan 8.230 nan 0.000 0.437 260 N N 0.867 119.747 118.700 0.299 0.000 2.166 260 N HA -0.239 4.077 4.740 -0.706 0.000 0.186 260 N C 1.922 177.498 175.510 0.109 0.000 1.019 260 N CA 1.186 54.385 53.050 0.248 0.000 0.856 260 N CB 0.129 38.706 38.487 0.149 0.000 0.993 260 N HN 0.307 nan 8.380 nan 0.000 0.426 261 K N -0.173 120.265 120.400 0.064 0.000 2.147 261 K HA -0.151 3.746 4.320 -0.706 0.000 0.205 261 K C 1.394 177.954 176.600 -0.065 0.000 1.049 261 K CA 1.293 57.559 56.287 -0.035 0.000 0.936 261 K CB -0.090 32.348 32.500 -0.103 0.000 0.722 261 K HN 0.348 nan 8.250 nan 0.000 0.446 262 H N -1.059 118.025 119.070 0.023 0.000 2.546 262 H HA 0.075 4.209 4.556 -0.703 0.000 0.277 262 H C 0.836 176.175 175.328 0.019 0.000 1.004 262 H CA 1.207 57.259 56.048 0.007 0.000 1.231 262 H CB 0.295 30.050 29.762 -0.011 0.000 1.382 262 H HN 0.308 nan 8.280 nan 0.000 0.580 263 R N 0.689 121.277 120.500 0.148 0.000 3.651 263 R HA -0.171 3.746 4.340 -0.706 0.000 0.292 263 R C 0.465 176.845 176.300 0.132 0.000 1.161 263 R CA 0.863 57.028 56.100 0.107 0.000 0.787 263 R CB -3.381 26.950 30.300 0.052 0.000 1.249 263 R HN 0.695 nan 8.270 nan 0.000 0.476 264 I N -2.831 117.845 120.570 0.177 0.000 2.948 264 I HA 0.304 4.051 4.170 -0.706 0.000 0.290 264 I C 1.722 177.940 176.117 0.169 0.000 1.226 264 I CA 0.230 61.590 61.300 0.101 0.000 1.413 264 I CB 1.120 39.117 38.000 -0.005 0.000 1.352 264 I HN 0.026 nan 8.210 nan 0.000 0.597 265 V N 5.376 125.346 119.914 0.093 0.000 2.515 265 V HA -0.102 3.594 4.120 -0.706 0.000 0.250 265 V C 0.205 176.467 176.094 0.280 0.000 1.058 265 V CA 1.622 64.017 62.300 0.159 0.000 1.064 265 V CB -0.685 31.238 31.823 0.166 0.000 0.675 265 V HN 0.888 nan 8.190 nan 0.000 0.461 266 Y N -1.814 118.566 120.300 0.133 0.000 2.581 266 Y HA 0.665 4.785 4.550 -0.717 0.000 0.337 266 Y C -1.457 174.330 175.900 -0.188 0.000 1.108 266 Y CA -2.613 55.520 58.100 0.055 0.000 1.033 266 Y CB 1.206 39.617 38.460 -0.081 0.000 1.318 266 Y HN -0.096 nan 8.280 nan 0.000 0.459 267 L N 3.614 124.794 121.223 -0.072 0.000 2.356 267 L HA 0.547 4.464 4.340 -0.706 0.000 0.277 267 L C -1.492 175.348 176.870 -0.050 0.000 0.996 267 L CA -0.486 54.148 54.840 -0.343 0.000 0.822 267 L CB 1.428 42.886 42.059 -1.001 0.000 1.256 267 L HN 0.968 nan 8.230 nan 0.000 0.413 268 H N 5.731 124.747 119.070 -0.090 0.000 2.539 268 H HA 0.524 4.665 4.556 -0.692 0.000 0.332 268 H C -1.051 174.131 175.328 -0.243 0.000 1.031 268 H CA -1.087 54.855 56.048 -0.177 0.000 1.206 268 H CB 1.133 30.867 29.762 -0.046 0.000 1.446 268 H HN 0.487 nan 8.280 nan 0.000 0.496 269 I N 4.365 124.837 120.570 -0.163 0.000 2.321 269 I HA 0.199 3.945 4.170 -0.706 0.000 0.291 269 I C 0.322 176.364 176.117 -0.124 0.000 0.998 269 I CA -0.438 60.703 61.300 -0.265 0.000 1.227 269 I CB 0.864 38.499 38.000 -0.608 0.000 1.368 269 I HN 0.648 nan 8.210 nan 0.000 0.466 270 A N 5.661 128.398 122.820 -0.137 0.000 2.415 270 A HA 0.238 4.135 4.320 -0.706 0.000 0.309 270 A C 1.147 178.734 177.584 0.004 0.000 1.356 270 A CA -0.337 51.643 52.037 -0.095 0.000 0.998 270 A CB -0.117 18.809 19.000 -0.123 0.000 1.145 270 A HN 0.840 nan 8.150 nan 0.000 0.545 271 E N 1.817 122.069 120.200 0.087 0.000 2.230 271 E HA 0.103 4.030 4.350 -0.706 0.000 0.192 271 E C -0.276 176.366 176.600 0.069 0.000 0.987 271 E CA 0.747 57.223 56.400 0.126 0.000 0.841 271 E CB 0.268 30.113 29.700 0.242 0.000 0.783 271 E HN 0.488 nan 8.360 nan 0.000 0.481 272 V N 0.813 120.754 119.914 0.046 0.000 2.841 272 V HA 0.247 3.943 4.120 -0.706 0.000 0.310 272 V C -1.334 174.767 176.094 0.010 0.000 1.090 272 V CA -0.995 61.324 62.300 0.031 0.000 0.930 272 V CB 2.002 33.834 31.823 0.016 0.000 1.014 272 V HN -0.031 nan 8.190 nan 0.000 0.425 273 D N 2.229 122.659 120.400 0.049 0.000 2.473 273 D HA 0.485 4.701 4.640 -0.706 0.000 0.253 273 D C -0.019 176.392 176.300 0.184 0.000 1.233 273 D CA -0.014 54.011 54.000 0.041 0.000 0.908 273 D CB 0.847 41.730 40.800 0.138 0.000 1.170 273 D HN 0.508 nan 8.370 nan 0.000 0.558 274 W N 1.967 123.332 121.300 0.107 0.000 2.457 274 W HA -0.361 3.866 4.660 -0.720 0.000 0.300 274 W C 1.157 177.731 176.519 0.091 0.000 1.731 274 W CA 1.119 58.532 57.345 0.115 0.000 1.793 274 W CB -0.936 28.605 29.460 0.135 0.000 0.920 274 W HN 0.407 nan 8.180 nan 0.000 0.467 275 D N -0.321 120.306 120.400 0.379 0.000 2.398 275 D HA 0.047 4.264 4.640 -0.706 0.000 0.210 275 D C -0.173 176.219 176.300 0.154 0.000 1.094 275 D CA 0.470 54.598 54.000 0.214 0.000 0.839 275 D CB -0.399 40.507 40.800 0.176 0.000 0.963 275 D HN 0.047 nan 8.370 nan 0.000 0.506 276 D N 1.320 121.822 120.400 0.171 0.000 2.402 276 D HA 0.260 4.476 4.640 -0.706 0.000 0.235 276 D C -0.571 175.782 176.300 0.088 0.000 1.226 276 D CA -0.284 53.788 54.000 0.120 0.000 0.918 276 D CB 0.209 41.089 40.800 0.133 0.000 1.043 276 D HN -0.087 nan 8.370 nan 0.000 0.506 277 A N 5.321 128.180 122.820 0.064 0.000 2.938 277 A HA 0.404 4.300 4.320 -0.706 0.000 0.344 277 A C -2.235 175.368 177.584 0.031 0.000 1.142 277 A CA -1.077 50.984 52.037 0.040 0.000 0.841 277 A CB 0.281 19.297 19.000 0.026 0.000 1.083 277 A HN 0.425 nan 8.150 nan 0.000 0.479 278 P HA 0.371 nan 4.420 nan 0.000 0.271 278 P C -0.073 177.245 177.300 0.030 0.000 1.218 278 P CA 0.292 63.411 63.100 0.031 0.000 0.780 278 P CB 0.430 32.150 31.700 0.032 0.000 0.901 279 D N 0.970 121.385 120.400 0.025 0.000 2.450 279 D HA 0.226 4.442 4.640 -0.706 0.000 0.247 279 D C -0.056 176.277 176.300 0.054 0.000 1.162 279 D CA 0.186 54.202 54.000 0.026 0.000 0.879 279 D CB -0.398 40.414 40.800 0.019 0.000 1.163 279 D HN 0.365 nan 8.370 nan 0.000 0.472 280 T N 4.298 118.894 114.554 0.070 0.000 3.060 280 T HA 0.491 4.418 4.350 -0.706 0.000 0.367 280 T C -2.421 172.362 174.700 0.139 0.000 1.229 280 T CA -0.714 61.475 62.100 0.148 0.000 1.104 280 T CB 1.014 69.973 68.868 0.152 0.000 1.083 280 T HN 0.342 nan 8.240 nan 0.000 0.524 281 P HA -0.016 nan 4.420 nan 0.000 0.261 281 P C 1.143 178.523 177.300 0.135 0.000 1.165 281 P CA -0.006 63.172 63.100 0.130 0.000 0.759 281 P CB 0.609 32.390 31.700 0.135 0.000 0.772 282 V N 2.706 122.659 119.914 0.066 0.000 2.490 282 V HA -0.256 3.440 4.120 -0.706 0.000 0.250 282 V C 2.270 178.404 176.094 0.066 0.000 1.061 282 V CA 2.485 64.805 62.300 0.034 0.000 1.064 282 V CB -1.213 30.615 31.823 0.008 0.000 0.670 282 V HN 0.726 nan 8.190 nan 0.000 0.461 283 S N 0.271 116.029 115.700 0.096 0.000 2.382 283 S HA -0.250 3.796 4.470 -0.706 0.000 0.228 283 S C 1.968 176.683 174.600 0.192 0.000 1.027 283 S CA 1.668 59.936 58.200 0.114 0.000 0.991 283 S CB -0.712 62.549 63.200 0.101 0.000 0.823 283 S HN 0.519 nan 8.310 nan 0.000 0.469 284 F N 2.951 122.929 119.950 0.047 0.000 2.146 284 F HA 0.191 4.292 4.527 -0.709 0.000 0.298 284 F C 2.093 177.951 175.800 0.097 0.000 1.096 284 F CA 0.963 59.005 58.000 0.070 0.000 1.275 284 F CB -0.596 38.446 39.000 0.069 0.000 1.008 284 F HN 0.101 nan 8.300 nan 0.000 0.480 285 K N -0.018 120.362 120.400 -0.033 0.000 2.097 285 K HA -0.153 3.744 4.320 -0.706 0.000 0.206 285 K C 2.215 178.798 176.600 -0.029 0.000 1.049 285 K CA 1.491 57.715 56.287 -0.105 0.000 0.933 285 K CB -0.203 32.231 32.500 -0.111 0.000 0.717 285 K HN 0.264 nan 8.250 nan 0.000 0.442 286 R N 0.265 120.773 120.500 0.015 0.000 2.115 286 R HA -0.038 3.878 4.340 -0.706 0.000 0.230 286 R C 2.353 178.682 176.300 0.047 0.000 1.111 286 R CA 1.022 57.141 56.100 0.030 0.000 0.976 286 R CB -0.242 30.079 30.300 0.035 0.000 0.870 286 R HN 0.174 nan 8.270 nan 0.000 0.445 287 A N 1.338 124.204 122.820 0.076 0.000 1.898 287 A HA -0.097 3.800 4.320 -0.706 0.000 0.216 287 A C 2.159 179.788 177.584 0.075 0.000 1.181 287 A CA 0.996 53.096 52.037 0.105 0.000 0.620 287 A CB -0.447 18.675 19.000 0.203 0.000 0.819 287 A HN 0.158 nan 8.150 nan 0.000 0.442 288 L N -1.072 120.150 121.223 -0.002 0.000 2.083 288 L HA -0.166 3.750 4.340 -0.706 0.000 0.209 288 L C 2.709 179.626 176.870 0.079 0.000 1.083 288 L CA 1.596 56.436 54.840 0.000 0.000 0.752 288 L CB -0.412 41.562 42.059 -0.143 0.000 0.899 288 L HN 0.392 nan 8.230 nan 0.000 0.433 289 R N 0.339 120.880 120.500 0.068 0.000 2.152 289 R HA -0.144 3.772 4.340 -0.706 0.000 0.232 289 R C 1.992 178.320 176.300 0.046 0.000 1.117 289 R CA 1.256 57.400 56.100 0.073 0.000 0.981 289 R CB -0.096 30.236 30.300 0.053 0.000 0.870 289 R HN 0.261 nan 8.270 nan 0.000 0.451 290 E N -0.430 119.798 120.200 0.047 0.000 2.190 290 E HA 0.102 4.029 4.350 -0.706 0.000 0.191 290 E C 1.774 178.398 176.600 0.040 0.000 0.978 290 E CA 1.038 57.457 56.400 0.031 0.000 0.839 290 E CB -0.138 29.584 29.700 0.035 0.000 0.787 290 E HN 0.403 nan 8.360 nan 0.000 0.473 291 A N 0.402 123.268 122.820 0.077 0.000 1.929 291 A HA -0.117 3.779 4.320 -0.706 0.000 0.216 291 A C 0.715 178.378 177.584 0.131 0.000 1.176 291 A CA 0.780 52.877 52.037 0.100 0.000 0.628 291 A CB -0.202 18.874 19.000 0.127 0.000 0.816 291 A HN 0.238 nan 8.150 nan 0.000 0.444 292 Y N 0.125 120.437 120.300 0.020 0.000 2.331 292 Y HA 0.485 4.615 4.550 -0.700 0.000 0.334 292 Y C 0.272 176.179 175.900 0.012 0.000 0.960 292 Y CA -0.868 57.242 58.100 0.016 0.000 1.130 292 Y CB 1.354 39.821 38.460 0.012 0.000 1.164 292 Y HN 0.239 nan 8.280 nan 0.000 0.458 293 Q N 4.319 123.693 119.800 -0.710 0.000 2.175 293 Q HA 0.290 4.207 4.340 -0.706 0.000 0.225 293 Q C 0.625 176.290 176.000 -0.558 0.000 0.837 293 Q CA -0.056 55.457 55.803 -0.482 0.000 1.032 293 Q CB 1.251 29.843 28.738 -0.243 0.000 1.137 293 Q HN 0.925 nan 8.270 nan 0.000 0.483 294 G N 0.299 108.440 108.800 -1.099 0.000 2.695 294 G HA2 0.334 3.871 3.960 -0.706 0.000 0.213 294 G HA3 0.334 3.871 3.960 -0.706 0.000 0.213 294 G C -0.375 174.503 174.900 -0.038 0.000 1.406 294 G CA -0.416 44.420 45.100 -0.441 0.000 1.049 294 G HN 0.061 nan 8.290 nan 0.000 0.573 295 V N 0.643 120.676 119.914 0.197 0.000 2.455 295 V HA 0.276 3.972 4.120 -0.706 0.000 0.273 295 V C -0.299 175.942 176.094 0.244 0.000 1.045 295 V CA -0.264 62.127 62.300 0.151 0.000 0.976 295 V CB 0.948 32.817 31.823 0.076 0.000 0.993 295 V HN 0.414 nan 8.190 nan 0.000 0.475 296 L N 7.886 129.186 121.223 0.129 0.000 2.287 296 L HA 0.614 4.530 4.340 -0.706 0.000 0.287 296 L C -0.387 176.431 176.870 -0.086 0.000 1.022 296 L CA 0.243 55.127 54.840 0.072 0.000 0.814 296 L CB 1.053 43.201 42.059 0.149 0.000 1.217 296 L HN 0.493 nan 8.230 nan 0.000 0.420 297 I N 5.138 125.558 120.570 -0.250 0.000 2.474 297 I HA 0.369 4.116 4.170 -0.706 0.000 0.294 297 I C -1.159 174.742 176.117 -0.360 0.000 1.005 297 I CA -0.703 60.370 61.300 -0.380 0.000 1.113 297 I CB 1.592 39.141 38.000 -0.752 0.000 1.289 297 I HN 0.475 nan 8.210 nan 0.000 0.436 298 Y N 3.554 123.674 120.300 -0.300 0.000 2.462 298 Y HA 0.772 4.900 4.550 -0.704 0.000 0.346 298 Y C 0.012 175.755 175.900 -0.261 0.000 0.976 298 Y CA -0.716 57.273 58.100 -0.184 0.000 1.044 298 Y CB 2.317 40.657 38.460 -0.200 0.000 1.230 298 Y HN 0.602 nan 8.280 nan 0.000 0.455 299 A N 1.438 124.349 122.820 0.153 0.000 2.486 299 A HA 0.852 4.749 4.320 -0.706 0.000 0.300 299 A C -0.499 177.218 177.584 0.223 0.000 1.048 299 A CA -0.280 51.822 52.037 0.107 0.000 0.696 299 A CB 1.506 20.579 19.000 0.122 0.000 1.278 299 A HN 1.368 nan 8.150 nan 0.000 0.405 300 G N 1.689 110.631 108.800 0.238 0.000 2.308 300 G HA2 0.408 3.945 3.960 -0.706 0.000 0.182 300 G HA3 0.408 3.945 3.960 -0.706 0.000 0.182 300 G C -0.052 174.835 174.900 -0.021 0.000 1.488 300 G CA -0.393 44.767 45.100 0.099 0.000 1.144 300 G HN 1.395 nan 8.290 nan 0.000 0.608 301 R N -0.977 119.517 120.500 -0.011 0.000 3.627 301 R HA -0.199 3.717 4.340 -0.706 0.000 0.281 301 R C -0.093 176.127 176.300 -0.134 0.000 1.140 301 R CA 0.962 57.031 56.100 -0.052 0.000 0.761 301 R CB -2.389 27.862 30.300 -0.082 0.000 1.181 301 R HN 0.680 nan 8.270 nan 0.000 0.472 302 Y N 1.123 121.391 120.300 -0.054 0.000 2.304 302 Y HA 0.209 4.332 4.550 -0.711 0.000 0.327 302 Y C 1.527 177.533 175.900 0.178 0.000 1.209 302 Y CA -0.089 57.979 58.100 -0.054 0.000 1.299 302 Y CB 0.876 39.131 38.460 -0.341 0.000 1.249 302 Y HN 0.265 nan 8.280 nan 0.000 0.519 303 N N 0.383 119.281 118.700 0.330 0.000 2.890 303 N HA 0.533 4.849 4.740 -0.706 0.000 0.317 303 N C 0.384 176.103 175.510 0.349 0.000 1.355 303 N CA -0.351 52.886 53.050 0.313 0.000 0.803 303 N CB 0.423 38.988 38.487 0.130 0.000 1.465 303 N HN 0.537 nan 8.380 nan 0.000 0.591 304 A N -0.307 122.611 122.820 0.164 0.000 1.883 304 A HA -0.232 3.664 4.320 -0.706 0.000 0.217 304 A C 1.908 179.562 177.584 0.117 0.000 1.186 304 A CA 1.993 54.097 52.037 0.111 0.000 0.624 304 A CB -1.138 17.868 19.000 0.009 0.000 0.822 304 A HN 0.879 nan 8.150 nan 0.000 0.444 305 E N -0.168 120.083 120.200 0.085 0.000 2.051 305 E HA -0.206 3.720 4.350 -0.706 0.000 0.192 305 E C 1.970 178.618 176.600 0.080 0.000 0.991 305 E CA 1.442 57.879 56.400 0.062 0.000 0.799 305 E CB -0.106 29.616 29.700 0.036 0.000 0.748 305 E HN 0.631 nan 8.360 nan 0.000 0.449 306 K N 0.028 120.493 120.400 0.109 0.000 2.148 306 K HA -0.075 3.821 4.320 -0.706 0.000 0.204 306 K C 2.101 178.848 176.600 0.244 0.000 1.050 306 K CA 0.873 57.236 56.287 0.126 0.000 0.942 306 K CB -0.047 32.478 32.500 0.041 0.000 0.724 306 K HN 0.118 nan 8.250 nan 0.000 0.446 307 A N 1.558 124.545 122.820 0.279 0.000 1.873 307 A HA -0.209 3.687 4.320 -0.706 0.000 0.215 307 A C 2.118 179.720 177.584 0.030 0.000 1.186 307 A CA 1.709 53.820 52.037 0.122 0.000 0.616 307 A CB -0.420 18.699 19.000 0.198 0.000 0.823 307 A HN 0.262 nan 8.150 nan 0.000 0.442 308 E N -0.063 120.169 120.200 0.054 0.000 2.085 308 E HA -0.253 3.673 4.350 -0.706 0.000 0.194 308 E C 2.148 178.751 176.600 0.005 0.000 0.994 308 E CA 1.910 58.318 56.400 0.014 0.000 0.801 308 E CB -0.355 29.360 29.700 0.026 0.000 0.743 308 E HN 0.695 nan 8.360 nan 0.000 0.453 309 Q N -0.631 119.182 119.800 0.023 0.000 2.084 309 Q HA -0.164 3.752 4.340 -0.706 0.000 0.202 309 Q C 2.061 178.056 176.000 -0.007 0.000 0.978 309 Q CA 1.603 57.412 55.803 0.009 0.000 0.844 309 Q CB -0.291 28.456 28.738 0.015 0.000 0.898 309 Q HN 0.380 nan 8.270 nan 0.000 0.426 310 A N 0.588 123.407 122.820 -0.001 0.000 1.933 310 A HA -0.166 3.730 4.320 -0.706 0.000 0.218 310 A C 1.941 179.482 177.584 -0.072 0.000 1.175 310 A CA 1.301 53.309 52.037 -0.049 0.000 0.628 310 A CB -0.568 18.394 19.000 -0.063 0.000 0.814 310 A HN 0.472 nan 8.150 nan 0.000 0.444 311 I N -0.205 120.325 120.570 -0.067 0.000 2.286 311 I HA -0.194 3.553 4.170 -0.706 0.000 0.245 311 I C 1.859 177.951 176.117 -0.041 0.000 1.104 311 I CA 0.991 62.253 61.300 -0.063 0.000 1.397 311 I CB -0.414 37.543 38.000 -0.072 0.000 1.072 311 I HN 0.263 nan 8.210 nan 0.000 0.417 312 N N 0.720 119.402 118.700 -0.031 0.000 2.381 312 N HA -0.142 4.175 4.740 -0.706 0.000 0.182 312 N C 1.055 176.553 175.510 -0.021 0.000 1.025 312 N CA 1.088 54.125 53.050 -0.022 0.000 0.888 312 N CB -0.302 38.176 38.487 -0.014 0.000 0.965 312 N HN 0.312 nan 8.380 nan 0.000 0.438 313 D N -0.365 120.020 120.400 -0.025 0.000 2.349 313 D HA 0.113 4.329 4.640 -0.706 0.000 0.224 313 D C 1.075 177.360 176.300 -0.024 0.000 1.029 313 D CA 0.343 54.329 54.000 -0.024 0.000 0.879 313 D CB -0.101 40.682 40.800 -0.028 0.000 0.906 313 D HN 0.302 nan 8.370 nan 0.000 0.528 314 G N 0.705 109.490 108.800 -0.026 0.000 2.147 314 G HA2 -0.290 3.246 3.960 -0.706 0.000 0.244 314 G HA3 -0.290 3.246 3.960 -0.706 0.000 0.244 314 G C 0.975 175.866 174.900 -0.016 0.000 1.005 314 G CA 0.431 45.519 45.100 -0.019 0.000 0.713 314 G HN 0.404 nan 8.290 nan 0.000 0.515 315 L N -0.995 120.206 121.223 -0.037 0.000 2.298 315 L HA 0.570 4.486 4.340 -0.706 0.000 0.209 315 L C 1.496 178.374 176.870 0.013 0.000 1.084 315 L CA 1.193 56.004 54.840 -0.049 0.000 0.816 315 L CB -0.095 41.872 42.059 -0.152 0.000 0.967 315 L HN 0.575 nan 8.230 nan 0.000 0.460 316 A N -1.009 121.803 122.820 -0.013 0.000 2.515 316 A HA 0.445 4.341 4.320 -0.706 0.000 0.296 316 A C -0.573 176.998 177.584 -0.021 0.000 1.094 316 A CA -0.565 51.501 52.037 0.049 0.000 0.718 316 A CB 1.366 20.378 19.000 0.020 0.000 1.307 316 A HN -0.013 nan 8.150 nan 0.000 0.408 317 D N 0.202 120.583 120.400 -0.031 0.000 2.379 317 D HA 0.199 4.416 4.640 -0.706 0.000 0.218 317 D C 0.154 176.381 176.300 -0.123 0.000 1.006 317 D CA 1.309 55.269 54.000 -0.067 0.000 0.893 317 D CB 0.300 41.070 40.800 -0.051 0.000 1.019 317 D HN 0.573 nan 8.370 nan 0.000 0.503 318 M N 0.493 119.991 119.600 -0.170 0.000 2.593 318 M HA 0.397 4.453 4.480 -0.706 0.000 0.290 318 M C -1.364 174.749 176.300 -0.312 0.000 1.244 318 M CA -0.725 54.431 55.300 -0.240 0.000 0.857 318 M CB 3.492 35.913 32.600 -0.298 0.000 1.738 318 M HN -0.326 nan 8.290 nan 0.000 0.461 319 I N 1.057 121.413 120.570 -0.357 0.000 2.533 319 I HA 0.524 4.271 4.170 -0.706 0.000 0.290 319 I C 0.063 175.853 176.117 -0.545 0.000 1.056 319 I CA -0.360 60.598 61.300 -0.570 0.000 1.057 319 I CB 1.769 39.318 38.000 -0.751 0.000 1.240 319 I HN 0.810 nan 8.210 nan 0.000 0.423 320 G N 5.147 113.618 108.800 -0.549 0.000 2.367 320 G HA2 0.653 4.189 3.960 -0.706 0.000 0.314 320 G HA3 0.653 4.189 3.960 -0.706 0.000 0.314 320 G C -1.422 173.210 174.900 -0.446 0.000 1.130 320 G CA -0.215 44.697 45.100 -0.313 0.000 0.864 320 G HN 0.315 nan 8.290 nan 0.000 0.486 321 F N 1.364 121.363 119.950 0.081 0.000 2.496 321 F HA 0.461 4.563 4.527 -0.707 0.000 0.341 321 F C 1.068 176.956 175.800 0.146 0.000 1.134 321 F CA -0.467 57.583 58.000 0.083 0.000 0.968 321 F CB 2.352 41.343 39.000 -0.015 0.000 1.205 321 F HN 0.616 nan 8.300 nan 0.000 0.436 322 G N 2.583 111.497 108.800 0.189 0.000 2.670 322 G HA2 -0.018 3.518 3.960 -0.706 0.000 0.219 322 G HA3 -0.018 3.518 3.960 -0.706 0.000 0.219 322 G C 1.521 176.457 174.900 0.060 0.000 1.342 322 G CA -0.043 45.117 45.100 0.099 0.000 0.902 322 G HN 0.514 nan 8.290 nan 0.000 0.553 323 R N 0.981 121.455 120.500 -0.044 0.000 2.117 323 R HA -0.091 3.825 4.340 -0.706 0.000 0.243 323 R C -0.123 176.170 176.300 -0.011 0.000 1.143 323 R CA 1.850 57.867 56.100 -0.139 0.000 0.968 323 R CB -0.998 29.211 30.300 -0.150 0.000 0.863 323 R HN 0.334 nan 8.270 nan 0.000 0.444 324 P HA -0.134 nan 4.420 nan 0.000 0.218 324 P C 0.742 178.030 177.300 -0.021 0.000 1.149 324 P CA 1.044 64.156 63.100 0.019 0.000 0.817 324 P CB 0.032 31.739 31.700 0.012 0.000 0.785 325 F N -0.773 119.164 119.950 -0.022 0.000 2.407 325 F HA -0.028 4.077 4.527 -0.704 0.000 0.299 325 F C 2.048 177.786 175.800 -0.104 0.000 1.097 325 F CA 0.656 58.624 58.000 -0.052 0.000 1.422 325 F CB -0.754 38.235 39.000 -0.017 0.000 1.067 325 F HN -0.162 nan 8.300 nan 0.000 0.539 326 I N -0.734 119.879 120.570 0.072 0.000 2.179 326 I HA -0.276 3.470 4.170 -0.706 0.000 0.242 326 I C 2.344 178.211 176.117 -0.415 0.000 1.088 326 I CA 1.479 62.745 61.300 -0.056 0.000 1.357 326 I CB -0.619 37.305 38.000 -0.126 0.000 1.051 326 I HN 0.052 nan 8.210 nan 0.000 0.409 327 A N -0.065 122.452 122.820 -0.504 0.000 2.238 327 A HA 0.105 4.001 4.320 -0.706 0.000 0.210 327 A C 0.211 177.619 177.584 -0.294 0.000 1.179 327 A CA 0.274 51.778 52.037 -0.888 0.000 0.827 327 A CB -0.417 18.331 19.000 -0.419 0.000 0.856 327 A HN 0.444 nan 8.150 nan 0.000 0.488 328 N N 0.069 118.700 118.700 -0.114 0.000 2.664 328 N HA 0.259 4.575 4.740 -0.706 0.000 0.257 328 N C -2.395 173.157 175.510 0.070 0.000 1.108 328 N CA -1.258 51.786 53.050 -0.010 0.000 0.822 328 N CB 2.076 40.515 38.487 -0.079 0.000 1.199 328 N HN -0.015 nan 8.380 nan 0.000 0.529 329 P HA -0.149 nan 4.420 nan 0.000 0.218 329 P C -0.184 177.249 177.300 0.222 0.000 1.148 329 P CA 1.397 64.620 63.100 0.204 0.000 0.822 329 P CB 0.178 31.974 31.700 0.159 0.000 0.784 330 D N -0.509 119.969 120.400 0.129 0.000 2.894 330 D HA 0.029 4.246 4.640 -0.706 0.000 0.248 330 D C 1.429 177.724 176.300 -0.008 0.000 1.291 330 D CA -0.664 53.398 54.000 0.103 0.000 0.840 330 D CB -0.560 40.312 40.800 0.120 0.000 1.044 330 D HN -0.022 nan 8.370 nan 0.000 0.484 331 L N 0.846 121.951 121.223 -0.197 0.000 2.013 331 L HA -0.048 3.869 4.340 -0.706 0.000 0.212 331 L C -0.835 175.838 176.870 -0.329 0.000 1.073 331 L CA 2.181 56.746 54.840 -0.458 0.000 0.753 331 L CB -1.235 40.136 42.059 -1.145 0.000 0.890 331 L HN 0.032 nan 8.230 nan 0.000 0.432 332 P HA -0.202 nan 4.420 nan 0.000 0.215 332 P C 1.453 178.821 177.300 0.114 0.000 1.157 332 P CA 1.551 64.686 63.100 0.058 0.000 0.874 332 P CB 0.042 31.863 31.700 0.202 0.000 0.790 333 E N -0.128 120.107 120.200 0.059 0.000 2.085 333 E HA -0.202 3.724 4.350 -0.706 0.000 0.194 333 E C 2.052 178.650 176.600 -0.004 0.000 0.994 333 E CA 1.434 57.864 56.400 0.050 0.000 0.801 333 E CB -0.415 29.363 29.700 0.131 0.000 0.743 333 E HN 0.071 nan 8.360 nan 0.000 0.453 334 R N -0.207 120.293 120.500 0.001 0.000 2.081 334 R HA -0.071 3.845 4.340 -0.706 0.000 0.235 334 R C 2.579 178.771 176.300 -0.180 0.000 1.131 334 R CA 1.413 57.475 56.100 -0.063 0.000 0.960 334 R CB -0.472 29.800 30.300 -0.047 0.000 0.856 334 R HN 0.270 nan 8.270 nan 0.000 0.436 335 L N 0.097 121.230 121.223 -0.151 0.000 2.046 335 L HA -0.156 3.760 4.340 -0.706 0.000 0.208 335 L C 2.791 179.611 176.870 -0.084 0.000 1.077 335 L CA 1.310 56.073 54.840 -0.127 0.000 0.747 335 L CB -0.401 41.564 42.059 -0.158 0.000 0.896 335 L HN 0.169 nan 8.230 nan 0.000 0.432 336 R N -0.638 119.774 120.500 -0.147 0.000 2.075 336 R HA -0.161 3.755 4.340 -0.706 0.000 0.232 336 R C 2.040 178.023 176.300 -0.528 0.000 1.126 336 R CA 1.522 57.349 56.100 -0.456 0.000 0.963 336 R CB -0.069 29.605 30.300 -1.042 0.000 0.858 336 R HN 0.401 nan 8.270 nan 0.000 0.435 337 H N -1.899 116.835 119.070 -0.560 0.000 2.563 337 H HA 0.246 4.378 4.556 -0.707 0.000 0.264 337 H C 0.804 175.786 175.328 -0.577 0.000 0.957 337 H CA 0.771 56.388 56.048 -0.718 0.000 1.173 337 H CB 1.081 29.959 29.762 -1.474 0.000 1.420 337 H HN 0.507 nan 8.280 nan 0.000 0.551 338 G N 0.070 108.670 108.800 -0.333 0.000 2.160 338 G HA2 -0.313 3.224 3.960 -0.706 0.000 0.244 338 G HA3 -0.313 3.224 3.960 -0.706 0.000 0.244 338 G C -0.271 174.544 174.900 -0.142 0.000 1.022 338 G CA -0.258 44.729 45.100 -0.188 0.000 0.741 338 G HN 0.471 nan 8.290 nan 0.000 0.508 339 Y N 0.895 121.053 120.300 -0.237 0.000 2.397 339 Y HA 0.325 4.450 4.550 -0.707 0.000 0.335 339 Y C -0.894 174.782 175.900 -0.374 0.000 1.213 339 Y CA -1.661 56.136 58.100 -0.506 0.000 1.391 339 Y CB 0.631 38.510 38.460 -0.968 0.000 1.293 339 Y HN 0.100 nan 8.280 nan 0.000 0.557 340 P HA 0.047 nan 4.420 nan 0.000 0.271 340 P C -0.994 176.288 177.300 -0.030 0.000 1.218 340 P CA 0.152 63.227 63.100 -0.040 0.000 0.780 340 P CB 0.964 32.685 31.700 0.035 0.000 0.901 341 L N 1.864 123.083 121.223 -0.007 0.000 2.289 341 L HA 0.504 4.421 4.340 -0.706 0.000 0.285 341 L C 1.059 177.957 176.870 0.046 0.000 1.049 341 L CA -0.974 53.868 54.840 0.003 0.000 0.804 341 L CB 1.188 43.233 42.059 -0.024 0.000 1.195 341 L HN 0.418 nan 8.230 nan 0.000 0.428 342 A N 3.364 126.226 122.820 0.070 0.000 2.366 342 A HA 0.386 4.282 4.320 -0.706 0.000 0.249 342 A C -0.065 177.568 177.584 0.081 0.000 1.084 342 A CA -0.363 51.735 52.037 0.102 0.000 0.794 342 A CB 0.387 19.483 19.000 0.160 0.000 1.034 342 A HN 0.693 nan 8.150 nan 0.000 0.491 343 E N 0.950 121.210 120.200 0.099 0.000 2.202 343 E HA 0.258 4.184 4.350 -0.706 0.000 0.272 343 E C -0.470 176.202 176.600 0.121 0.000 0.951 343 E CA -0.477 55.973 56.400 0.083 0.000 0.813 343 E CB 1.311 31.029 29.700 0.031 0.000 1.151 343 E HN 0.845 nan 8.360 nan 0.000 0.398 344 H N -0.742 118.366 119.070 0.063 0.000 2.547 344 H HA 0.321 4.460 4.556 -0.695 0.000 0.362 344 H C -0.491 174.949 175.328 0.186 0.000 1.181 344 H CA -0.554 55.564 56.048 0.117 0.000 1.376 344 H CB 0.579 30.349 29.762 0.013 0.000 1.488 344 H HN 0.029 nan 8.280 nan 0.000 0.583 345 V N 4.340 124.405 119.914 0.250 0.000 2.333 345 V HA 0.098 3.795 4.120 -0.706 0.000 0.274 345 V C -1.447 174.757 176.094 0.183 0.000 1.028 345 V CA -1.410 60.958 62.300 0.114 0.000 0.851 345 V CB 1.097 32.995 31.823 0.126 0.000 1.000 345 V HN 0.670 nan 8.190 nan 0.000 0.456 346 P HA -0.192 nan 4.420 nan 0.000 0.216 346 P C 1.588 178.978 177.300 0.150 0.000 1.150 346 P CA 1.659 64.885 63.100 0.210 0.000 0.843 346 P CB 0.275 32.065 31.700 0.150 0.000 0.787 347 A N -0.755 122.129 122.820 0.106 0.000 2.076 347 A HA -0.143 3.753 4.320 -0.706 0.000 0.220 347 A C 1.816 179.451 177.584 0.086 0.000 1.160 347 A CA 2.158 54.252 52.037 0.094 0.000 0.653 347 A CB -1.552 17.486 19.000 0.063 0.000 0.801 347 A HN 0.366 nan 8.150 nan 0.000 0.455 348 T N -3.352 111.249 114.554 0.079 0.000 3.174 348 T HA 0.439 4.365 4.350 -0.706 0.000 0.269 348 T C 1.270 175.975 174.700 0.010 0.000 1.017 348 T CA -0.063 62.067 62.100 0.051 0.000 0.899 348 T CB -0.168 68.725 68.868 0.042 0.000 1.077 348 T HN 0.234 nan 8.240 nan 0.000 0.552 349 L N -0.238 120.944 121.223 -0.069 0.000 2.056 349 L HA 0.247 4.163 4.340 -0.706 0.000 0.207 349 L C 0.168 176.746 176.870 -0.487 0.000 1.078 349 L CA 1.140 55.767 54.840 -0.355 0.000 0.749 349 L CB -0.177 41.495 42.059 -0.645 0.000 0.901 349 L HN 0.317 nan 8.230 nan 0.000 0.433 350 F N -0.910 119.120 119.950 0.134 0.000 2.495 350 F HA 0.599 4.672 4.527 -0.756 0.000 0.327 350 F C 0.877 176.732 175.800 0.091 0.000 1.103 350 F CA -0.544 57.525 58.000 0.115 0.000 0.949 350 F CB 1.390 40.367 39.000 -0.038 0.000 1.142 350 F HN 0.062 nan 8.300 nan 0.000 0.457 351 G N 1.087 110.107 108.800 0.367 0.000 2.796 351 G HA2 0.363 3.899 3.960 -0.706 0.000 0.226 351 G HA3 0.363 3.899 3.960 -0.706 0.000 0.226 351 G C 0.132 175.007 174.900 -0.040 0.000 1.381 351 G CA -0.235 44.954 45.100 0.147 0.000 0.867 351 G HN 1.980 nan 8.290 nan 0.000 0.552 352 G N -1.832 106.846 108.800 -0.203 0.000 2.542 352 G HA2 0.482 4.018 3.960 -0.706 0.000 0.235 352 G HA3 0.482 4.018 3.960 -0.706 0.000 0.235 352 G C 1.248 176.064 174.900 -0.139 0.000 1.286 352 G CA 1.108 46.116 45.100 -0.153 0.000 0.904 352 G HN 2.675 nan 8.290 nan 0.000 0.577 353 G N -2.209 106.533 108.800 -0.098 0.000 3.302 353 G HA2 0.605 4.141 3.960 -0.706 0.000 0.170 353 G HA3 0.605 4.141 3.960 -0.706 0.000 0.170 353 G C 0.727 175.587 174.900 -0.066 0.000 1.119 353 G CA 0.881 45.931 45.100 -0.083 0.000 0.826 353 G HN 0.714 nan 8.290 nan 0.000 0.646 354 E N 0.358 120.527 120.200 -0.051 0.000 2.204 354 E HA -0.026 3.901 4.350 -0.706 0.000 0.194 354 E C 0.297 176.870 176.600 -0.045 0.000 0.989 354 E CA 0.484 56.862 56.400 -0.037 0.000 0.824 354 E CB 0.009 29.696 29.700 -0.021 0.000 0.756 354 E HN 0.190 nan 8.360 nan 0.000 0.477 355 K N 0.436 120.800 120.400 -0.059 0.000 2.412 355 K HA 0.097 3.993 4.320 -0.706 0.000 0.284 355 K C 0.694 177.244 176.600 -0.083 0.000 1.046 355 K CA 0.604 56.842 56.287 -0.082 0.000 0.999 355 K CB 0.663 33.119 32.500 -0.074 0.000 0.941 355 K HN 0.248 nan 8.250 nan 0.000 0.474 356 G N 2.288 110.998 108.800 -0.148 0.000 2.159 356 G HA2 -0.253 3.283 3.960 -0.706 0.000 0.256 356 G HA3 -0.253 3.283 3.960 -0.706 0.000 0.256 356 G C 0.214 175.201 174.900 0.145 0.000 0.977 356 G CA 0.383 45.432 45.100 -0.085 0.000 0.652 356 G HN 0.564 nan 8.290 nan 0.000 0.531 357 L N -0.549 120.715 121.223 0.069 0.000 2.738 357 L HA 0.440 4.356 4.340 -0.706 0.000 0.175 357 L C 2.433 179.440 176.870 0.228 0.000 1.125 357 L CA 2.394 57.273 54.840 0.066 0.000 0.857 357 L CB 0.094 42.083 42.059 -0.117 0.000 1.300 357 L HN 0.416 nan 8.230 nan 0.000 0.499 358 T N -3.635 111.003 114.554 0.141 0.000 3.054 358 T HA 0.154 4.080 4.350 -0.706 0.000 0.255 358 T C 0.512 175.285 174.700 0.121 0.000 1.035 358 T CA 0.360 62.563 62.100 0.172 0.000 0.941 358 T CB -0.317 68.623 68.868 0.119 0.000 1.026 358 T HN 0.422 nan 8.240 nan 0.000 0.533 359 D N -0.131 120.299 120.400 0.050 0.000 2.388 359 D HA 0.070 4.287 4.640 -0.706 0.000 0.221 359 D C -0.505 175.769 176.300 -0.044 0.000 1.133 359 D CA -0.731 53.258 54.000 -0.018 0.000 0.831 359 D CB -0.809 39.941 40.800 -0.083 0.000 0.962 359 D HN 0.428 nan 8.370 nan 0.000 0.502 360 Y N 2.218 122.559 120.300 0.068 0.000 2.393 360 Y HA 0.279 4.405 4.550 -0.706 0.000 0.338 360 Y C -1.593 174.346 175.900 0.066 0.000 1.029 360 Y CA -1.818 56.326 58.100 0.073 0.000 1.239 360 Y CB 0.817 39.338 38.460 0.102 0.000 1.170 360 Y HN -0.024 nan 8.280 nan 0.000 0.515 361 P HA 0.100 nan 4.420 nan 0.000 0.276 361 P C -0.363 177.011 177.300 0.124 0.000 1.252 361 P CA -0.476 62.692 63.100 0.113 0.000 0.802 361 P CB 1.052 32.783 31.700 0.052 0.000 1.035 362 T N -1.594 113.012 114.554 0.087 0.000 2.828 362 T HA 0.155 4.081 4.350 -0.706 0.000 0.290 362 T C 0.036 174.783 174.700 0.078 0.000 1.019 362 T CA -0.425 61.734 62.100 0.098 0.000 1.031 362 T CB 0.011 68.924 68.868 0.075 0.000 1.001 362 T HN 0.317 nan 8.240 nan 0.000 0.531 363 Y N 1.207 121.486 120.300 -0.035 0.000 2.526 363 Y HA 0.397 4.523 4.550 -0.707 0.000 0.330 363 Y C 0.261 176.052 175.900 -0.181 0.000 1.156 363 Y CA 0.559 58.585 58.100 -0.124 0.000 1.419 363 Y CB -0.376 37.959 38.460 -0.208 0.000 1.250 363 Y HN 0.980 nan 8.280 nan 0.000 0.540 364 Q N 5.067 124.280 119.800 -0.980 0.000 2.295 364 Q HA 0.763 4.679 4.340 -0.706 0.000 0.259 364 Q C -0.509 174.911 176.000 -0.966 0.000 0.966 364 Q CA -0.461 54.890 55.803 -0.754 0.000 0.763 364 Q CB 0.855 29.373 28.738 -0.366 0.000 1.283 364 Q HN 1.208 nan 8.270 nan 0.000 0.445 365 A N 0.000 122.309 122.820 -0.851 0.000 2.254 365 A HA 0.000 3.896 4.320 -0.706 0.000 0.244 365 A CA 0.000 51.735 52.037 -0.503 0.000 0.836 365 A CB 0.000 18.861 19.000 -0.232 0.000 0.831 365 A HN 0.000 nan 8.150 nan 0.000 0.486