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 1szo_1_G DATA FIRST_RESID 4 DATA SEQUENCE LATPFQEYSQ KYENIRLERD GGVLLVTVHT EGKSLVWTST AHDELAYCFH DATA SEQUENCE DIACDRENKV VILTGTGPSF CNEIDFTSFN LGTPHDWDEI IFEGQRLLNN DATA SEQUENCE LLSIEVPVIA AVNGPVTNAP EIPVMSDIVL AAESATFQDG PHFPSGIVPG DATA SEQUENCE DGAHVVWPHV LGSNRGRYFL LTGQELDART ALDYGAVNEV LSEQELLPRA DATA SEQUENCE WELARGIAEK PLLARRYARK VLTRQLRRVM EADLSLGLAH EALAAIDLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.913 176.870 0.071 0.000 1.165 4 L CA 0.000 54.875 54.840 0.059 0.000 0.813 4 L CB 0.000 42.093 42.059 0.056 0.000 0.961 5 A N 0.784 123.646 122.820 0.070 0.000 2.371 5 A HA 0.587 4.907 4.320 0.001 0.000 0.257 5 A C 0.379 178.029 177.584 0.110 0.000 1.089 5 A CA 0.237 52.319 52.037 0.076 0.000 0.794 5 A CB 0.112 19.147 19.000 0.059 0.000 1.029 5 A HN 0.104 nan 8.150 nan 0.000 0.488 6 T N 5.112 119.747 114.554 0.135 0.000 2.817 6 T HA 0.365 4.715 4.350 0.001 0.000 0.295 6 T C -2.137 172.753 174.700 0.317 0.000 0.958 6 T CA -0.273 61.949 62.100 0.204 0.000 1.157 6 T CB 0.085 69.093 68.868 0.233 0.000 0.898 6 T HN 0.573 nan 8.240 nan 0.000 0.536 7 P HA 0.154 nan 4.420 nan 0.000 0.274 7 P C 0.740 178.120 177.300 0.133 0.000 1.237 7 P CA -0.736 62.492 63.100 0.213 0.000 0.793 7 P CB 0.692 32.461 31.700 0.115 0.000 0.977 8 F N 1.336 121.196 119.950 -0.150 0.000 2.120 8 F HA -0.264 4.263 4.527 0.001 0.000 0.300 8 F C 2.598 178.122 175.800 -0.460 0.000 1.095 8 F CA 1.953 59.578 58.000 -0.623 0.000 1.249 8 F CB -0.195 38.617 39.000 -0.314 0.000 0.995 8 F HN 0.370 nan 8.300 nan 0.000 0.480 9 Q N 0.200 119.881 119.800 -0.198 0.000 2.181 9 Q HA -0.300 4.040 4.340 0.001 0.000 0.205 9 Q C 2.190 178.034 176.000 -0.260 0.000 0.980 9 Q CA 2.076 57.749 55.803 -0.217 0.000 0.862 9 Q CB -0.317 28.392 28.738 -0.049 0.000 0.905 9 Q HN 0.722 nan 8.270 nan 0.000 0.429 10 E N -0.683 119.406 120.200 -0.184 0.000 2.051 10 E HA -0.176 4.175 4.350 0.001 0.000 0.189 10 E C 1.758 178.276 176.600 -0.138 0.000 0.979 10 E CA 1.015 57.345 56.400 -0.116 0.000 0.803 10 E CB -0.200 29.495 29.700 -0.009 0.000 0.761 10 E HN 0.655 nan 8.360 nan 0.000 0.451 11 Y N 0.047 120.265 120.300 -0.136 0.000 2.517 11 Y HA 0.200 4.750 4.550 0.000 0.000 0.281 11 Y C 2.017 177.815 175.900 -0.170 0.000 1.125 11 Y CA 0.634 58.664 58.100 -0.117 0.000 1.283 11 Y CB -0.639 37.862 38.460 0.069 0.000 1.042 11 Y HN 0.022 nan 8.280 nan 0.000 0.547 12 S N -0.624 114.684 115.700 -0.653 0.000 2.469 12 S HA -0.130 4.340 4.470 0.001 0.000 0.238 12 S C 1.282 175.734 174.600 -0.246 0.000 0.998 12 S CA 0.925 58.757 58.200 -0.613 0.000 0.957 12 S CB -0.271 62.164 63.200 -1.274 0.000 0.764 12 S HN 0.547 nan 8.310 nan 0.000 0.514 13 Q N -0.131 119.530 119.800 -0.232 0.000 2.159 13 Q HA 0.327 4.667 4.340 0.001 0.000 0.217 13 Q C 1.568 177.454 176.000 -0.190 0.000 0.818 13 Q CA 0.649 56.358 55.803 -0.156 0.000 1.008 13 Q CB 0.494 29.141 28.738 -0.150 0.000 1.148 13 Q HN 0.795 nan 8.270 nan 0.000 0.491 14 K N -0.129 120.072 120.400 -0.330 0.000 2.361 14 K HA 0.072 4.393 4.320 0.001 0.000 0.196 14 K C -0.007 176.216 176.600 -0.628 0.000 1.039 14 K CA 0.757 56.698 56.287 -0.576 0.000 1.001 14 K CB 0.087 32.076 32.500 -0.851 0.000 0.795 14 K HN 0.097 nan 8.250 nan 0.000 0.495 15 Y N 1.257 121.545 120.300 -0.020 0.000 2.328 15 Y HA 0.220 4.771 4.550 0.001 0.000 0.333 15 Y C 1.234 177.106 175.900 -0.046 0.000 0.958 15 Y CA -1.495 56.581 58.100 -0.040 0.000 1.167 15 Y CB 1.857 40.300 38.460 -0.028 0.000 1.151 15 Y HN 0.405 nan 8.280 nan 0.000 0.470 16 E N 0.225 120.452 120.200 0.044 0.000 2.268 16 E HA -0.170 4.181 4.350 0.001 0.000 0.195 16 E C -0.038 176.467 176.600 -0.158 0.000 0.995 16 E CA 1.599 57.988 56.400 -0.019 0.000 0.836 16 E CB -0.098 29.572 29.700 -0.049 0.000 0.763 16 E HN 0.728 nan 8.360 nan 0.000 0.491 17 N N 0.154 118.735 118.700 -0.198 0.000 2.230 17 N HA 0.264 5.004 4.740 0.001 0.000 0.202 17 N C -0.761 174.550 175.510 -0.331 0.000 1.119 17 N CA -0.079 52.709 53.050 -0.436 0.000 0.851 17 N CB 0.761 39.077 38.487 -0.286 0.000 0.990 17 N HN 0.121 nan 8.380 nan 0.000 0.497 18 I N 0.662 121.200 120.570 -0.053 0.000 2.468 18 I HA 0.258 4.428 4.170 0.001 0.000 0.284 18 I C -0.467 175.799 176.117 0.249 0.000 1.038 18 I CA -0.816 60.540 61.300 0.095 0.000 1.083 18 I CB 1.795 39.791 38.000 -0.007 0.000 1.223 18 I HN -0.061 nan 8.210 nan 0.000 0.443 19 R N 6.705 127.388 120.500 0.305 0.000 2.390 19 R HA 0.684 5.025 4.340 0.001 0.000 0.291 19 R C -1.472 174.941 176.300 0.189 0.000 1.070 19 R CA -0.289 55.936 56.100 0.207 0.000 1.014 19 R CB 0.814 31.175 30.300 0.101 0.000 1.007 19 R HN 0.631 nan 8.270 nan 0.000 0.466 20 L N 4.347 125.679 121.223 0.182 0.000 2.406 20 L HA 0.423 4.764 4.340 0.001 0.000 0.270 20 L C -0.910 176.145 176.870 0.308 0.000 0.982 20 L CA -0.416 54.576 54.840 0.254 0.000 0.843 20 L CB 2.046 44.267 42.059 0.270 0.000 1.225 20 L HN 0.662 nan 8.230 nan 0.000 0.412 21 E N 3.188 123.588 120.200 0.333 0.000 2.234 21 E HA 0.561 4.912 4.350 0.001 0.000 0.266 21 E C -1.097 175.674 176.600 0.284 0.000 0.877 21 E CA -0.887 55.708 56.400 0.326 0.000 0.758 21 E CB 3.181 33.025 29.700 0.240 0.000 1.170 21 E HN 0.346 nan 8.360 nan 0.000 0.415 22 R N 2.063 122.671 120.500 0.179 0.000 2.599 22 R HA 0.415 4.755 4.340 0.001 0.000 0.295 22 R C -1.694 174.634 176.300 0.047 0.000 0.963 22 R CA -0.532 55.558 56.100 -0.016 0.000 0.883 22 R CB 1.292 31.289 30.300 -0.506 0.000 1.171 22 R HN 0.524 nan 8.270 nan 0.000 0.450 23 D N 1.976 122.454 120.400 0.129 0.000 2.855 23 D HA 0.308 4.949 4.640 0.001 0.000 0.241 23 D C -0.002 176.368 176.300 0.117 0.000 1.277 23 D CA 0.468 54.533 54.000 0.108 0.000 0.918 23 D CB 1.511 42.377 40.800 0.110 0.000 1.462 23 D HN 0.745 nan 8.370 nan 0.000 0.559 24 G N 2.657 111.484 108.800 0.044 0.000 2.305 24 G HA2 -0.024 3.937 3.960 0.001 0.000 0.287 24 G HA3 -0.024 3.937 3.960 0.001 0.000 0.287 24 G C 1.147 176.066 174.900 0.031 0.000 1.036 24 G CA 0.789 45.912 45.100 0.038 0.000 0.887 24 G HN 1.683 nan 8.290 nan 0.000 0.505 25 G N -3.158 105.638 108.800 -0.007 0.000 2.205 25 G HA2 -0.101 3.859 3.960 0.001 0.000 0.261 25 G HA3 -0.101 3.859 3.960 0.001 0.000 0.261 25 G C 0.493 175.381 174.900 -0.019 0.000 0.980 25 G CA 0.573 45.653 45.100 -0.032 0.000 0.632 25 G HN 1.682 nan 8.290 nan 0.000 0.533 26 V N 1.678 121.615 119.914 0.038 0.000 2.408 26 V HA 0.562 4.682 4.120 0.001 0.000 0.267 26 V C 0.483 176.574 176.094 -0.005 0.000 1.047 26 V CA -0.393 61.909 62.300 0.003 0.000 0.937 26 V CB 1.426 33.270 31.823 0.034 0.000 0.999 26 V HN 0.451 nan 8.190 nan 0.000 0.472 27 L N 7.014 128.207 121.223 -0.050 0.000 2.257 27 L HA 0.527 4.867 4.340 0.001 0.000 0.290 27 L C -0.549 176.314 176.870 -0.011 0.000 1.044 27 L CA -0.137 54.707 54.840 0.007 0.000 0.810 27 L CB 1.145 43.238 42.059 0.056 0.000 1.193 27 L HN 0.615 nan 8.230 nan 0.000 0.425 28 L N 6.782 128.043 121.223 0.062 0.000 2.260 28 L HA 0.504 4.844 4.340 0.001 0.000 0.289 28 L C -0.880 176.077 176.870 0.145 0.000 1.057 28 L CA 0.036 54.912 54.840 0.060 0.000 0.811 28 L CB 1.239 43.408 42.059 0.183 0.000 1.184 28 L HN 0.418 nan 8.230 nan 0.000 0.429 29 V N 4.510 124.499 119.914 0.126 0.000 2.347 29 V HA 0.474 4.595 4.120 0.001 0.000 0.280 29 V C 0.062 176.236 176.094 0.133 0.000 1.021 29 V CA -0.398 61.997 62.300 0.158 0.000 0.847 29 V CB 1.313 33.247 31.823 0.184 0.000 0.990 29 V HN 0.827 nan 8.190 nan 0.000 0.444 30 T N 4.671 119.305 114.554 0.134 0.000 2.791 30 T HA 0.476 4.827 4.350 0.001 0.000 0.288 30 T C -0.161 174.619 174.700 0.133 0.000 0.999 30 T CA -0.415 61.751 62.100 0.110 0.000 0.952 30 T CB 1.455 70.387 68.868 0.107 0.000 0.938 30 T HN 0.618 nan 8.240 nan 0.000 0.444 31 V N 2.448 122.372 119.914 0.016 0.000 2.607 31 V HA 0.905 5.026 4.120 0.001 0.000 0.289 31 V C -0.448 175.672 176.094 0.043 0.000 1.053 31 V CA -0.595 61.690 62.300 -0.024 0.000 0.996 31 V CB 0.547 32.283 31.823 -0.143 0.000 0.995 31 V HN 1.144 nan 8.190 nan 0.000 0.476 32 H N 0.136 119.173 119.070 -0.055 0.000 3.024 32 H HA 0.666 5.222 4.556 0.001 0.000 0.324 32 H C -1.167 174.148 175.328 -0.021 0.000 1.347 32 H CA -0.507 55.520 56.048 -0.034 0.000 1.182 32 H CB 1.407 31.159 29.762 -0.017 0.000 1.889 32 H HN 0.571 nan 8.280 nan 0.000 0.528 33 T N 3.293 117.845 114.554 -0.002 0.000 2.864 33 T HA 0.282 4.632 4.350 0.001 0.000 0.310 33 T C -1.134 173.634 174.700 0.113 0.000 1.040 33 T CA -0.615 61.464 62.100 -0.036 0.000 0.977 33 T CB 0.621 69.472 68.868 -0.028 0.000 0.976 33 T HN 0.653 nan 8.240 nan 0.000 0.459 34 E N 1.309 121.609 120.200 0.167 0.000 7.519 34 E HA -0.166 4.184 4.350 0.001 0.000 0.462 34 E C 1.065 177.794 176.600 0.214 0.000 0.413 34 E CA 0.918 57.422 56.400 0.173 0.000 0.763 34 E CB -0.258 29.486 29.700 0.072 0.000 0.955 34 E HN 1.054 nan 8.360 nan 0.000 0.355 35 G N 3.049 111.918 108.800 0.115 0.000 3.614 35 G HA2 -0.274 3.687 3.960 0.001 0.000 0.195 35 G HA3 -0.274 3.687 3.960 0.001 0.000 0.195 35 G C 0.441 175.374 174.900 0.055 0.000 1.175 35 G CA 1.442 46.561 45.100 0.031 0.000 1.026 35 G HN 0.241 nan 8.290 nan 0.000 0.595 36 K N -0.558 119.897 120.400 0.093 0.000 2.313 36 K HA 0.451 4.771 4.320 0.001 0.000 0.235 36 K C 0.314 176.960 176.600 0.076 0.000 1.035 36 K CA -0.809 55.517 56.287 0.065 0.000 0.868 36 K CB 1.241 33.771 32.500 0.049 0.000 1.232 36 K HN 0.054 nan 8.250 nan 0.000 0.459 37 S N 1.163 116.895 115.700 0.054 0.000 2.558 37 S HA -0.046 4.425 4.470 0.001 0.000 0.287 37 S C 0.015 174.638 174.600 0.040 0.000 1.321 37 S CA -0.419 57.807 58.200 0.043 0.000 1.048 37 S CB 0.101 63.327 63.200 0.043 0.000 0.844 37 S HN 0.356 nan 8.310 nan 0.000 0.512 38 L N 4.131 125.365 121.223 0.018 0.000 2.499 38 L HA 0.197 4.537 4.340 0.001 0.000 0.273 38 L C -0.642 176.273 176.870 0.075 0.000 1.195 38 L CA 0.443 55.297 54.840 0.023 0.000 0.882 38 L CB 0.253 42.317 42.059 0.009 0.000 1.133 38 L HN 0.421 nan 8.230 nan 0.000 0.483 39 V N 6.207 126.157 119.914 0.060 0.000 2.350 39 V HA 0.135 4.255 4.120 0.001 0.000 0.276 39 V C -0.137 176.031 176.094 0.122 0.000 1.028 39 V CA -0.752 61.600 62.300 0.087 0.000 0.860 39 V CB 1.049 32.890 31.823 0.030 0.000 0.990 39 V HN 0.791 nan 8.190 nan 0.000 0.453 40 W N 6.086 127.383 121.300 -0.005 0.000 2.381 40 W HA 0.371 5.031 4.660 0.001 0.000 0.321 40 W C 0.118 176.654 176.519 0.029 0.000 1.407 40 W CA 0.234 57.598 57.345 0.032 0.000 1.274 40 W CB 1.124 30.612 29.460 0.047 0.000 1.310 40 W HN 0.754 nan 8.180 nan 0.000 0.551 41 T N 0.921 115.168 114.554 -0.512 0.000 2.841 41 T HA 0.136 4.486 4.350 0.001 0.000 0.296 41 T C 0.700 174.830 174.700 -0.950 0.000 1.166 41 T CA -0.460 61.263 62.100 -0.629 0.000 1.007 41 T CB 1.604 70.203 68.868 -0.448 0.000 1.253 41 T HN 0.305 nan 8.240 nan 0.000 0.511 42 S N 0.301 115.122 115.700 -1.465 0.000 2.372 42 S HA -0.179 4.291 4.470 0.001 0.000 0.227 42 S C 1.955 176.304 174.600 -0.419 0.000 1.044 42 S CA 2.632 60.239 58.200 -0.989 0.000 1.050 42 S CB -1.271 61.399 63.200 -0.884 0.000 0.901 42 S HN 0.825 nan 8.310 nan 0.000 0.447 43 T N 1.892 116.208 114.554 -0.396 0.000 2.684 43 T HA -0.077 4.273 4.350 0.001 0.000 0.267 43 T C 2.050 176.604 174.700 -0.244 0.000 1.036 43 T CA 1.554 63.506 62.100 -0.247 0.000 1.148 43 T CB -0.781 67.954 68.868 -0.222 0.000 0.863 43 T HN 0.563 nan 8.240 nan 0.000 0.436 44 A N 1.258 123.854 122.820 -0.373 0.000 1.898 44 A HA -0.176 4.144 4.320 0.001 0.000 0.216 44 A C 2.149 179.461 177.584 -0.453 0.000 1.181 44 A CA 1.745 53.534 52.037 -0.412 0.000 0.620 44 A CB -0.942 17.770 19.000 -0.480 0.000 0.819 44 A HN 0.687 nan 8.150 nan 0.000 0.442 45 H N 0.124 118.766 119.070 -0.713 0.000 2.290 45 H HA -0.164 4.393 4.556 0.001 0.000 0.298 45 H C 1.289 176.558 175.328 -0.098 0.000 1.087 45 H CA 2.163 57.986 56.048 -0.374 0.000 1.291 45 H CB -0.127 29.524 29.762 -0.185 0.000 1.369 45 H HN 0.389 nan 8.280 nan 0.000 0.492 46 D N 0.303 120.743 120.400 0.067 0.000 2.149 46 D HA -0.081 4.560 4.640 0.001 0.000 0.201 46 D C 2.291 178.662 176.300 0.118 0.000 0.972 46 D CA 0.693 54.775 54.000 0.137 0.000 0.835 46 D CB -0.209 40.717 40.800 0.210 0.000 0.966 46 D HN 0.558 nan 8.370 nan 0.000 0.476 47 E N 0.167 120.357 120.200 -0.016 0.000 2.077 47 E HA -0.130 4.221 4.350 0.001 0.000 0.193 47 E C 2.255 178.621 176.600 -0.390 0.000 0.989 47 E CA 0.487 56.833 56.400 -0.091 0.000 0.800 47 E CB -0.097 29.556 29.700 -0.078 0.000 0.746 47 E HN 0.271 nan 8.360 nan 0.000 0.452 48 L N 0.538 121.519 121.223 -0.404 0.000 2.083 48 L HA -0.210 4.130 4.340 0.001 0.000 0.209 48 L C 2.556 179.009 176.870 -0.695 0.000 1.083 48 L CA 1.007 55.438 54.840 -0.681 0.000 0.752 48 L CB -0.426 41.353 42.059 -0.466 0.000 0.899 48 L HN 0.141 nan 8.230 nan 0.000 0.433 49 A N -0.619 122.008 122.820 -0.323 0.000 1.858 49 A HA -0.254 4.067 4.320 0.001 0.000 0.216 49 A C 2.053 179.509 177.584 -0.215 0.000 1.190 49 A CA 1.629 53.543 52.037 -0.205 0.000 0.617 49 A CB -0.965 17.902 19.000 -0.222 0.000 0.827 49 A HN 0.357 nan 8.150 nan 0.000 0.443 50 Y N -0.990 119.227 120.300 -0.139 0.000 2.181 50 Y HA -0.256 4.294 4.550 0.001 0.000 0.288 50 Y C 2.975 178.817 175.900 -0.097 0.000 1.146 50 Y CA 1.302 59.389 58.100 -0.022 0.000 1.164 50 Y CB -0.805 37.728 38.460 0.122 0.000 0.982 50 Y HN 0.502 nan 8.280 nan 0.000 0.515 51 C N -0.284 118.794 119.300 -0.370 0.000 2.429 51 C HA -0.206 4.255 4.460 0.001 0.000 0.277 51 C C 2.625 177.504 174.990 -0.185 0.000 1.262 51 C CA 0.738 59.445 59.018 -0.519 0.000 1.733 51 C CB -1.613 25.540 27.740 -0.978 0.000 2.010 51 C HN 0.493 nan 8.230 nan 0.000 0.483 52 F N 0.503 120.381 119.950 -0.120 0.000 2.216 52 F HA -0.070 4.457 4.527 0.001 0.000 0.300 52 F C 2.482 178.244 175.800 -0.062 0.000 1.085 52 F CA 1.768 59.724 58.000 -0.074 0.000 1.326 52 F CB -1.559 37.406 39.000 -0.058 0.000 1.027 52 F HN 0.512 nan 8.300 nan 0.000 0.497 53 H N 0.289 119.383 119.070 0.040 0.000 2.293 53 H HA -0.149 4.407 4.556 0.001 0.000 0.300 53 H C 1.556 176.844 175.328 -0.066 0.000 1.082 53 H CA 1.885 57.920 56.048 -0.021 0.000 1.308 53 H CB -0.072 29.658 29.762 -0.055 0.000 1.375 53 H HN 0.096 nan 8.280 nan 0.000 0.495 54 D N 0.712 120.981 120.400 -0.220 0.000 2.123 54 D HA -0.134 4.507 4.640 0.001 0.000 0.196 54 D C 2.496 178.451 176.300 -0.575 0.000 0.992 54 D CA 1.036 54.713 54.000 -0.539 0.000 0.833 54 D CB -0.278 40.054 40.800 -0.779 0.000 0.954 54 D HN 0.474 nan 8.370 nan 0.000 0.455 55 I N 1.065 121.456 120.570 -0.299 0.000 2.226 55 I HA -0.252 3.918 4.170 0.001 0.000 0.245 55 I C 2.459 178.558 176.117 -0.030 0.000 1.100 55 I CA 1.055 62.332 61.300 -0.038 0.000 1.374 55 I CB -0.198 37.884 38.000 0.136 0.000 1.057 55 I HN -0.074 nan 8.210 nan 0.000 0.413 56 A N -0.421 122.359 122.820 -0.068 0.000 1.972 56 A HA -0.212 4.108 4.320 0.001 0.000 0.219 56 A C 2.248 179.778 177.584 -0.091 0.000 1.169 56 A CA 1.639 53.638 52.037 -0.065 0.000 0.635 56 A CB -1.025 17.941 19.000 -0.056 0.000 0.810 56 A HN 0.573 nan 8.150 nan 0.000 0.446 57 C N -0.043 119.148 119.300 -0.181 0.000 2.618 57 C HA 0.122 4.582 4.460 0.001 0.000 0.264 57 C C 0.745 175.711 174.990 -0.040 0.000 1.334 57 C CA -0.140 58.792 59.018 -0.143 0.000 1.731 57 C CB -1.121 26.463 27.740 -0.259 0.000 1.852 57 C HN 0.569 nan 8.230 nan 0.000 0.566 58 D N 0.591 120.995 120.400 0.008 0.000 2.443 58 D HA 0.143 4.784 4.640 0.001 0.000 0.221 58 D C 1.239 177.583 176.300 0.075 0.000 1.097 58 D CA -0.199 53.868 54.000 0.111 0.000 0.865 58 D CB 0.478 41.451 40.800 0.287 0.000 1.034 58 D HN 0.104 nan 8.370 nan 0.000 0.511 59 R N 2.698 123.228 120.500 0.050 0.000 2.285 59 R HA -0.035 4.306 4.340 0.001 0.000 0.213 59 R C 0.902 177.212 176.300 0.016 0.000 1.068 59 R CA 0.459 56.573 56.100 0.024 0.000 1.004 59 R CB 0.007 30.316 30.300 0.016 0.000 0.873 59 R HN 0.627 nan 8.270 nan 0.000 0.467 60 E N 0.728 120.944 120.200 0.027 0.000 2.435 60 E HA 0.005 4.355 4.350 0.001 0.000 0.195 60 E C -0.149 176.433 176.600 -0.031 0.000 1.029 60 E CA -0.048 56.348 56.400 -0.007 0.000 0.865 60 E CB 0.048 29.740 29.700 -0.013 0.000 0.833 60 E HN 0.229 nan 8.360 nan 0.000 0.510 61 N N 1.992 120.692 118.700 -0.001 0.000 2.416 61 N HA 0.010 4.751 4.740 0.001 0.000 0.265 61 N C 0.541 176.042 175.510 -0.014 0.000 1.195 61 N CA 0.383 53.429 53.050 -0.007 0.000 0.943 61 N CB 1.070 39.586 38.487 0.047 0.000 1.115 61 N HN 0.124 nan 8.380 nan 0.000 0.481 62 K N 0.584 120.968 120.400 -0.027 0.000 2.202 62 K HA 0.120 4.440 4.320 0.001 0.000 0.201 62 K C 0.460 177.042 176.600 -0.031 0.000 1.051 62 K CA 0.457 56.727 56.287 -0.028 0.000 0.977 62 K CB 0.677 33.163 32.500 -0.024 0.000 0.792 62 K HN 0.313 nan 8.250 nan 0.000 0.469 63 V N 0.409 120.302 119.914 -0.037 0.000 3.048 63 V HA 0.363 4.484 4.120 0.001 0.000 0.303 63 V C -1.919 174.138 176.094 -0.062 0.000 1.214 63 V CA -0.877 61.393 62.300 -0.051 0.000 0.984 63 V CB 2.306 34.093 31.823 -0.060 0.000 1.054 63 V HN -0.217 nan 8.190 nan 0.000 0.430 64 V N 6.556 126.434 119.914 -0.060 0.000 2.495 64 V HA 0.603 4.723 4.120 0.001 0.000 0.298 64 V C -0.302 175.742 176.094 -0.083 0.000 1.031 64 V CA -0.444 61.828 62.300 -0.046 0.000 0.871 64 V CB 1.702 33.529 31.823 0.007 0.000 0.988 64 V HN 0.737 nan 8.190 nan 0.000 0.432 65 I N 5.226 125.725 120.570 -0.117 0.000 2.378 65 I HA 0.432 4.602 4.170 0.001 0.000 0.291 65 I C -0.759 175.355 176.117 -0.005 0.000 0.992 65 I CA -0.593 60.631 61.300 -0.126 0.000 1.154 65 I CB 1.750 39.565 38.000 -0.309 0.000 1.315 65 I HN 0.406 nan 8.210 nan 0.000 0.448 66 L N 6.780 128.045 121.223 0.071 0.000 2.296 66 L HA 0.704 5.045 4.340 0.001 0.000 0.286 66 L C -0.243 176.780 176.870 0.255 0.000 1.023 66 L CA 0.578 55.528 54.840 0.184 0.000 0.812 66 L CB 1.577 43.784 42.059 0.246 0.000 1.223 66 L HN 0.666 nan 8.230 nan 0.000 0.421 67 T N 2.366 117.064 114.554 0.240 0.000 2.762 67 T HA 0.810 5.161 4.350 0.001 0.000 0.301 67 T C -0.425 174.282 174.700 0.011 0.000 1.299 67 T CA -0.026 62.233 62.100 0.265 0.000 1.005 67 T CB 1.293 70.267 68.868 0.177 0.000 1.377 67 T HN 0.826 nan 8.240 nan 0.000 0.504 68 G N -0.072 108.707 108.800 -0.036 0.000 3.075 68 G HA2 0.676 4.636 3.960 0.001 0.000 0.253 68 G HA3 0.676 4.636 3.960 0.001 0.000 0.253 68 G C -0.827 174.069 174.900 -0.007 0.000 1.353 68 G CA -0.337 44.639 45.100 -0.207 0.000 1.051 68 G HN 0.790 nan 8.290 nan 0.000 0.553 69 T N -2.301 112.253 114.554 0.001 0.000 2.896 69 T HA 0.648 4.998 4.350 0.001 0.000 0.297 69 T C 0.383 175.108 174.700 0.043 0.000 1.108 69 T CA 1.381 63.504 62.100 0.039 0.000 1.004 69 T CB 0.953 69.844 68.868 0.037 0.000 1.159 69 T HN 2.442 nan 8.240 nan 0.000 0.499 70 G N 3.846 112.673 108.800 0.045 0.000 2.642 70 G HA2 -0.138 3.822 3.960 0.001 0.000 0.231 70 G HA3 -0.138 3.822 3.960 0.001 0.000 0.231 70 G C -1.981 172.949 174.900 0.050 0.000 1.338 70 G CA -0.081 45.045 45.100 0.043 0.000 0.883 70 G HN 0.686 nan 8.290 nan 0.000 0.570 71 P HA 0.166 nan 4.420 nan 0.000 0.223 71 P C 0.738 178.070 177.300 0.053 0.000 1.151 71 P CA 1.438 64.565 63.100 0.044 0.000 0.787 71 P CB 0.117 31.837 31.700 0.035 0.000 0.788 72 S N -1.238 114.500 115.700 0.063 0.000 2.532 72 S HA 0.356 4.826 4.470 0.001 0.000 0.301 72 S C 0.168 174.844 174.600 0.128 0.000 1.083 72 S CA -0.558 57.692 58.200 0.085 0.000 1.025 72 S CB 1.223 64.465 63.200 0.071 0.000 1.056 72 S HN -0.068 nan 8.310 nan 0.000 0.494 73 F N 1.571 121.523 119.950 0.003 0.000 2.118 73 F HA 0.222 4.749 4.527 0.001 0.000 0.293 73 F C 0.903 176.738 175.800 0.057 0.000 1.102 73 F CA 0.615 58.632 58.000 0.028 0.000 1.247 73 F CB 0.247 39.246 39.000 -0.002 0.000 1.017 73 F HN 0.583 nan 8.300 nan 0.000 0.475 74 C N 2.642 122.120 119.300 0.297 0.000 3.080 74 C HA 0.312 4.772 4.460 0.001 0.000 0.388 74 C C -0.608 174.462 174.990 0.133 0.000 1.079 74 C CA -0.329 58.798 59.018 0.182 0.000 1.289 74 C CB -0.504 27.369 27.740 0.222 0.000 1.702 74 C HN 0.625 nan 8.230 nan 0.000 0.516 75 N N 3.032 121.788 118.700 0.092 0.000 2.377 75 N HA 0.209 4.949 4.740 0.001 0.000 0.259 75 N C -0.483 175.059 175.510 0.053 0.000 1.332 75 N CA 0.018 53.102 53.050 0.056 0.000 0.877 75 N CB 0.439 38.950 38.487 0.040 0.000 1.299 75 N HN 0.877 nan 8.380 nan 0.000 0.501 76 E N 0.536 120.781 120.200 0.074 0.000 2.314 76 E HA 0.508 4.858 4.350 0.001 0.000 0.272 76 E C -1.665 174.997 176.600 0.103 0.000 0.884 76 E CA -0.778 55.666 56.400 0.073 0.000 0.753 76 E CB 2.415 32.154 29.700 0.065 0.000 1.213 76 E HN 0.264 nan 8.360 nan 0.000 0.432 77 I N 2.358 122.973 120.570 0.075 0.000 2.689 77 I HA 0.353 4.523 4.170 0.001 0.000 0.299 77 I C -1.537 174.610 176.117 0.051 0.000 1.059 77 I CA -0.653 60.690 61.300 0.072 0.000 1.055 77 I CB 1.885 39.821 38.000 -0.107 0.000 1.243 77 I HN 0.467 nan 8.210 nan 0.000 0.425 78 D N 5.700 126.135 120.400 0.058 0.000 2.493 78 D HA 0.205 4.846 4.640 0.001 0.000 0.235 78 D C 0.477 176.861 176.300 0.141 0.000 1.117 78 D CA -0.222 53.819 54.000 0.068 0.000 0.930 78 D CB 0.340 41.141 40.800 0.002 0.000 1.010 78 D HN 0.394 nan 8.370 nan 0.000 0.514 79 F N 1.029 121.102 119.950 0.205 0.000 2.250 79 F HA -0.157 4.370 4.527 0.001 0.000 0.301 79 F C 2.687 178.609 175.800 0.203 0.000 1.077 79 F CA 1.644 59.799 58.000 0.259 0.000 1.348 79 F CB -0.382 38.700 39.000 0.136 0.000 1.040 79 F HN 0.422 nan 8.300 nan 0.000 0.509 80 T N -3.330 111.387 114.554 0.271 0.000 3.035 80 T HA -0.110 4.240 4.350 0.001 0.000 0.268 80 T C 2.023 176.745 174.700 0.037 0.000 1.109 80 T CA 0.940 63.123 62.100 0.138 0.000 1.119 80 T CB -0.714 68.201 68.868 0.080 0.000 0.900 80 T HN 0.283 nan 8.240 nan 0.000 0.503 81 S N -0.066 115.597 115.700 -0.061 0.000 2.515 81 S HA 0.217 4.687 4.470 0.001 0.000 0.231 81 S C 0.105 174.452 174.600 -0.420 0.000 0.987 81 S CA -0.544 57.483 58.200 -0.289 0.000 0.936 81 S CB -0.745 62.177 63.200 -0.464 0.000 0.766 81 S HN 0.470 nan 8.310 nan 0.000 0.528 82 F N 2.150 122.069 119.950 -0.052 0.000 2.425 82 F HA 0.525 5.052 4.527 0.001 0.000 0.331 82 F C 0.201 175.951 175.800 -0.083 0.000 1.085 82 F CA -1.367 56.576 58.000 -0.096 0.000 1.028 82 F CB 0.850 39.793 39.000 -0.094 0.000 1.177 82 F HN -0.056 nan 8.300 nan 0.000 0.487 83 N N 3.605 122.329 118.700 0.040 0.000 2.485 83 N HA 0.343 5.083 4.740 0.001 0.000 0.243 83 N C -0.205 175.214 175.510 -0.152 0.000 0.987 83 N CA -0.170 52.862 53.050 -0.030 0.000 0.940 83 N CB 1.203 39.663 38.487 -0.045 0.000 1.122 83 N HN 0.589 nan 8.380 nan 0.000 0.509 84 L N 0.239 121.418 121.223 -0.073 0.000 3.014 84 L HA 0.366 4.706 4.340 0.001 0.000 0.263 84 L C 1.669 178.712 176.870 0.289 0.000 1.207 84 L CA -0.139 54.672 54.840 -0.049 0.000 1.017 84 L CB 0.617 42.738 42.059 0.104 0.000 1.360 84 L HN 0.502 nan 8.230 nan 0.000 0.560 85 G N 0.003 108.889 108.800 0.144 0.000 2.656 85 G HA2 0.042 4.002 3.960 0.001 0.000 0.211 85 G HA3 0.042 4.002 3.960 0.001 0.000 0.211 85 G C 0.675 175.651 174.900 0.126 0.000 1.137 85 G CA 0.811 45.992 45.100 0.134 0.000 0.802 85 G HN 0.337 nan 8.290 nan 0.000 0.527 86 T N -3.244 111.360 114.554 0.084 0.000 2.916 86 T HA 0.573 4.924 4.350 0.001 0.000 0.292 86 T C -2.332 172.404 174.700 0.059 0.000 1.064 86 T CA -1.629 60.456 62.100 -0.025 0.000 1.011 86 T CB 2.670 71.340 68.868 -0.330 0.000 1.152 86 T HN -0.195 nan 8.240 nan 0.000 0.510 87 P HA -0.128 nan 4.420 nan 0.000 0.217 87 P C 1.576 178.954 177.300 0.131 0.000 1.150 87 P CA 1.271 64.445 63.100 0.124 0.000 0.832 87 P CB -0.240 31.522 31.700 0.103 0.000 0.787 88 H N -1.359 117.792 119.070 0.135 0.000 2.428 88 H HA -0.008 4.549 4.556 0.001 0.000 0.296 88 H C 1.022 176.415 175.328 0.108 0.000 1.062 88 H CA 1.038 57.148 56.048 0.103 0.000 1.350 88 H CB -1.044 28.755 29.762 0.062 0.000 1.403 88 H HN 0.084 nan 8.280 nan 0.000 0.533 89 D N 0.864 121.137 120.400 -0.210 0.000 2.117 89 D HA -0.117 4.523 4.640 0.001 0.000 0.198 89 D C 1.881 178.159 176.300 -0.037 0.000 0.982 89 D CA 0.741 54.682 54.000 -0.098 0.000 0.828 89 D CB -0.610 40.081 40.800 -0.181 0.000 0.967 89 D HN 0.423 nan 8.370 nan 0.000 0.464 90 W N 1.251 122.544 121.300 -0.011 0.000 2.392 90 W HA -0.118 4.542 4.660 0.001 0.000 0.279 90 W C 2.041 178.612 176.519 0.086 0.000 1.225 90 W CA 0.818 58.189 57.345 0.043 0.000 1.233 90 W CB -0.162 29.314 29.460 0.027 0.000 1.122 90 W HN -0.012 nan 8.180 nan 0.000 0.561 91 D N 0.103 120.672 120.400 0.282 0.000 2.178 91 D HA -0.175 4.465 4.640 0.001 0.000 0.202 91 D C 1.671 178.112 176.300 0.233 0.000 0.974 91 D CA 1.453 55.600 54.000 0.245 0.000 0.841 91 D CB -0.027 40.884 40.800 0.186 0.000 0.953 91 D HN 0.183 nan 8.370 nan 0.000 0.478 92 E N -0.359 119.945 120.200 0.174 0.000 2.077 92 E HA -0.129 4.221 4.350 0.001 0.000 0.193 92 E C 2.291 179.024 176.600 0.222 0.000 0.989 92 E CA 0.708 57.213 56.400 0.175 0.000 0.800 92 E CB 0.006 29.771 29.700 0.110 0.000 0.746 92 E HN 0.420 nan 8.360 nan 0.000 0.452 93 I N 0.811 121.466 120.570 0.141 0.000 2.202 93 I HA -0.266 3.905 4.170 0.001 0.000 0.242 93 I C 2.308 178.585 176.117 0.266 0.000 1.091 93 I CA 0.983 62.356 61.300 0.121 0.000 1.368 93 I CB -0.197 37.716 38.000 -0.145 0.000 1.058 93 I HN 0.107 nan 8.210 nan 0.000 0.410 94 I N 0.017 120.779 120.570 0.319 0.000 2.163 94 I HA -0.337 3.834 4.170 0.001 0.000 0.243 94 I C 2.507 178.792 176.117 0.279 0.000 1.085 94 I CA 1.621 63.111 61.300 0.317 0.000 1.347 94 I CB -0.385 37.800 38.000 0.309 0.000 1.044 94 I HN 0.131 nan 8.210 nan 0.000 0.408 95 F N 1.860 121.903 119.950 0.156 0.000 2.102 95 F HA -0.229 4.298 4.527 0.001 0.000 0.298 95 F C 2.552 178.417 175.800 0.109 0.000 1.105 95 F CA 1.718 59.787 58.000 0.115 0.000 1.239 95 F CB -0.126 38.932 39.000 0.097 0.000 0.991 95 F HN -0.003 nan 8.300 nan 0.000 0.474 96 E N -0.047 120.320 120.200 0.278 0.000 2.208 96 E HA -0.042 4.308 4.350 0.001 0.000 0.193 96 E C 2.488 179.173 176.600 0.142 0.000 0.988 96 E CA 0.932 57.441 56.400 0.183 0.000 0.828 96 E CB -1.049 28.853 29.700 0.336 0.000 0.763 96 E HN 0.512 nan 8.360 nan 0.000 0.478 97 G N 1.042 110.011 108.800 0.282 0.000 2.402 97 G HA2 -0.282 3.679 3.960 0.001 0.000 0.216 97 G HA3 -0.282 3.679 3.960 0.001 0.000 0.216 97 G C 1.563 176.535 174.900 0.121 0.000 1.162 97 G CA 0.460 45.734 45.100 0.290 0.000 0.777 97 G HN 0.249 nan 8.290 nan 0.000 0.539 98 Q N -0.201 119.627 119.800 0.047 0.000 2.050 98 Q HA -0.029 4.312 4.340 0.001 0.000 0.202 98 Q C 2.818 178.750 176.000 -0.114 0.000 0.980 98 Q CA 1.067 56.844 55.803 -0.042 0.000 0.840 98 Q CB -0.136 28.539 28.738 -0.104 0.000 0.898 98 Q HN 0.360 nan 8.270 nan 0.000 0.424 99 R N 0.085 120.461 120.500 -0.206 0.000 2.092 99 R HA -0.137 4.204 4.340 0.001 0.000 0.231 99 R C 2.307 178.545 176.300 -0.103 0.000 1.119 99 R CA 0.855 56.819 56.100 -0.227 0.000 0.970 99 R CB -0.358 29.730 30.300 -0.353 0.000 0.864 99 R HN 0.186 nan 8.270 nan 0.000 0.440 100 L N 1.086 122.271 121.223 -0.064 0.000 1.989 100 L HA -0.182 4.158 4.340 0.001 0.000 0.211 100 L C 1.887 178.826 176.870 0.115 0.000 1.071 100 L CA 1.824 56.682 54.840 0.030 0.000 0.749 100 L CB -0.346 41.677 42.059 -0.060 0.000 0.890 100 L HN 0.131 nan 8.230 nan 0.000 0.431 101 L N -0.897 120.353 121.223 0.045 0.000 2.162 101 L HA -0.064 4.276 4.340 0.001 0.000 0.205 101 L C 2.245 179.085 176.870 -0.051 0.000 1.086 101 L CA 0.617 55.457 54.840 -0.001 0.000 0.778 101 L CB -0.710 41.349 42.059 -0.001 0.000 0.928 101 L HN 0.337 nan 8.230 nan 0.000 0.446 102 N N 0.469 119.139 118.700 -0.051 0.000 2.188 102 N HA -0.134 4.606 4.740 0.001 0.000 0.184 102 N C 1.523 177.000 175.510 -0.054 0.000 1.018 102 N CA 1.040 54.050 53.050 -0.066 0.000 0.858 102 N CB -0.342 38.100 38.487 -0.076 0.000 0.989 102 N HN 0.326 nan 8.380 nan 0.000 0.426 103 N N 1.200 119.886 118.700 -0.024 0.000 2.188 103 N HA -0.082 4.658 4.740 0.001 0.000 0.184 103 N C 1.777 177.267 175.510 -0.034 0.000 1.018 103 N CA 0.241 53.307 53.050 0.027 0.000 0.858 103 N CB -0.517 38.032 38.487 0.103 0.000 0.989 103 N HN 0.147 nan 8.380 nan 0.000 0.426 104 L N 1.106 122.241 121.223 -0.147 0.000 2.012 104 L HA -0.043 4.298 4.340 0.001 0.000 0.210 104 L C 1.809 178.512 176.870 -0.278 0.000 1.073 104 L CA 1.468 56.026 54.840 -0.470 0.000 0.748 104 L CB -0.706 41.003 42.059 -0.585 0.000 0.891 104 L HN 0.131 nan 8.230 nan 0.000 0.431 105 L N -0.734 120.383 121.223 -0.177 0.000 2.376 105 L HA -0.091 4.249 4.340 0.001 0.000 0.219 105 L C 2.451 179.264 176.870 -0.096 0.000 1.133 105 L CA 1.010 55.770 54.840 -0.134 0.000 0.816 105 L CB -0.603 41.388 42.059 -0.115 0.000 0.933 105 L HN 0.492 nan 8.230 nan 0.000 0.449 106 S N -0.362 115.293 115.700 -0.076 0.000 2.522 106 S HA 0.025 4.495 4.470 0.001 0.000 0.227 106 S C 0.925 175.500 174.600 -0.042 0.000 0.986 106 S CA -0.182 57.993 58.200 -0.042 0.000 0.929 106 S CB -0.540 62.654 63.200 -0.009 0.000 0.769 106 S HN 0.244 nan 8.310 nan 0.000 0.529 107 I N 2.542 123.070 120.570 -0.069 0.000 2.668 107 I HA 0.040 4.210 4.170 0.001 0.000 0.285 107 I C 0.784 176.874 176.117 -0.044 0.000 1.168 107 I CA 0.445 61.710 61.300 -0.059 0.000 1.424 107 I CB 0.475 38.421 38.000 -0.091 0.000 1.377 107 I HN 0.341 nan 8.210 nan 0.000 0.560 108 E N 6.133 126.321 120.200 -0.020 0.000 2.499 108 E HA 0.160 4.511 4.350 0.001 0.000 0.207 108 E C -0.600 175.999 176.600 -0.003 0.000 1.034 108 E CA -0.122 56.279 56.400 0.000 0.000 1.098 108 E CB 0.519 30.237 29.700 0.031 0.000 1.148 108 E HN 0.536 nan 8.360 nan 0.000 0.447 109 V N -2.917 116.985 119.914 -0.020 0.000 3.001 109 V HA 0.593 4.714 4.120 0.001 0.000 0.314 109 V C -2.908 173.165 176.094 -0.036 0.000 1.099 109 V CA -3.294 58.991 62.300 -0.025 0.000 0.989 109 V CB 1.745 33.553 31.823 -0.025 0.000 1.040 109 V HN -0.148 nan 8.190 nan 0.000 0.434 110 P HA 0.230 nan 4.420 nan 0.000 0.265 110 P C -0.737 176.531 177.300 -0.054 0.000 1.193 110 P CA 0.225 63.299 63.100 -0.044 0.000 0.765 110 P CB 0.617 32.294 31.700 -0.039 0.000 0.823 111 V N 5.454 125.330 119.914 -0.063 0.000 2.448 111 V HA 0.395 4.516 4.120 0.001 0.000 0.295 111 V C 0.305 176.363 176.094 -0.061 0.000 1.025 111 V CA -0.428 61.833 62.300 -0.066 0.000 0.859 111 V CB 1.426 33.196 31.823 -0.088 0.000 0.988 111 V HN 0.376 nan 8.190 nan 0.000 0.431 112 I N 3.904 124.439 120.570 -0.058 0.000 2.378 112 I HA 0.682 4.852 4.170 0.001 0.000 0.291 112 I C 0.459 176.562 176.117 -0.023 0.000 0.992 112 I CA -0.449 60.820 61.300 -0.052 0.000 1.154 112 I CB 1.805 39.758 38.000 -0.077 0.000 1.315 112 I HN 0.694 nan 8.210 nan 0.000 0.448 113 A N 5.223 128.039 122.820 -0.007 0.000 2.309 113 A HA 0.833 5.154 4.320 0.001 0.000 0.298 113 A C -0.115 177.496 177.584 0.045 0.000 1.165 113 A CA -0.443 51.614 52.037 0.035 0.000 0.821 113 A CB 0.839 19.843 19.000 0.008 0.000 1.102 113 A HN 0.803 nan 8.150 nan 0.000 0.500 114 A N 2.763 125.642 122.820 0.100 0.000 2.483 114 A HA 0.555 4.876 4.320 0.001 0.000 0.308 114 A C -0.628 177.060 177.584 0.174 0.000 1.291 114 A CA -0.357 51.743 52.037 0.106 0.000 0.774 114 A CB 0.363 19.416 19.000 0.089 0.000 1.134 114 A HN 0.895 nan 8.150 nan 0.000 0.471 115 V N 4.678 124.652 119.914 0.100 0.000 2.372 115 V HA 0.072 4.193 4.120 0.001 0.000 0.261 115 V C 1.132 177.288 176.094 0.104 0.000 1.055 115 V CA -0.198 62.129 62.300 0.044 0.000 0.930 115 V CB 0.175 31.918 31.823 -0.134 0.000 1.031 115 V HN 0.958 nan 8.190 nan 0.000 0.479 116 N N 3.940 122.770 118.700 0.217 0.000 2.467 116 N HA 0.137 4.878 4.740 0.001 0.000 0.184 116 N C 0.531 176.099 175.510 0.097 0.000 1.106 116 N CA 0.826 53.964 53.050 0.147 0.000 0.892 116 N CB 1.344 39.928 38.487 0.160 0.000 0.969 116 N HN 0.675 nan 8.380 nan 0.000 0.454 117 G N -0.120 108.729 108.800 0.081 0.000 2.341 117 G HA2 0.285 4.245 3.960 0.001 0.000 0.299 117 G HA3 0.285 4.245 3.960 0.001 0.000 0.299 117 G C -3.282 171.594 174.900 -0.039 0.000 1.274 117 G CA -0.890 44.224 45.100 0.022 0.000 0.853 117 G HN -0.115 nan 8.290 nan 0.000 0.493 118 P HA 0.286 nan 4.420 nan 0.000 0.263 118 P C -0.491 176.783 177.300 -0.044 0.000 1.175 118 P CA 0.160 63.209 63.100 -0.086 0.000 0.761 118 P CB 1.206 32.890 31.700 -0.028 0.000 0.794 119 V N 3.890 123.717 119.914 -0.144 0.000 2.482 119 V HA 0.358 4.479 4.120 0.001 0.000 0.295 119 V C 0.698 176.788 176.094 -0.006 0.000 1.026 119 V CA 0.161 62.448 62.300 -0.022 0.000 0.856 119 V CB 1.557 33.330 31.823 -0.083 0.000 1.001 119 V HN 0.725 nan 8.190 nan 0.000 0.424 120 T N 1.863 116.424 114.554 0.013 0.000 3.003 120 T HA 0.375 4.725 4.350 0.001 0.000 0.261 120 T C 0.375 175.038 174.700 -0.061 0.000 1.003 120 T CA -0.186 61.908 62.100 -0.009 0.000 0.917 120 T CB -0.058 68.799 68.868 -0.018 0.000 1.084 120 T HN 0.524 nan 8.240 nan 0.000 0.522 121 N N 1.588 120.219 118.700 -0.115 0.000 2.314 121 N HA 0.546 5.286 4.740 0.001 0.000 0.294 121 N C 0.041 175.269 175.510 -0.471 0.000 1.029 121 N CA 0.162 52.991 53.050 -0.368 0.000 0.845 121 N CB 1.814 40.008 38.487 -0.488 0.000 1.321 121 N HN 0.403 nan 8.380 nan 0.000 0.481 122 A N 2.336 124.869 122.820 -0.478 0.000 2.704 122 A HA -0.134 4.186 4.320 0.001 0.000 0.299 122 A C -1.198 176.410 177.584 0.041 0.000 1.507 122 A CA 0.329 52.210 52.037 -0.260 0.000 0.776 122 A CB -1.258 17.360 19.000 -0.636 0.000 1.027 122 A HN 0.608 nan 8.150 nan 0.000 0.475 123 P HA -0.156 nan 4.420 nan 0.000 0.226 123 P C 1.349 178.865 177.300 0.361 0.000 1.153 123 P CA 1.240 64.553 63.100 0.354 0.000 0.777 123 P CB 0.046 32.092 31.700 0.578 0.000 0.794 124 E N 0.837 121.210 120.200 0.288 0.000 2.204 124 E HA -0.137 4.214 4.350 0.001 0.000 0.194 124 E C 1.962 178.517 176.600 -0.076 0.000 0.989 124 E CA 0.760 57.120 56.400 -0.066 0.000 0.824 124 E CB -1.205 28.462 29.700 -0.055 0.000 0.756 124 E HN 0.289 nan 8.360 nan 0.000 0.477 125 I N 2.232 122.833 120.570 0.052 0.000 2.113 125 I HA -0.191 3.980 4.170 0.001 0.000 0.238 125 I C -0.272 175.857 176.117 0.019 0.000 1.070 125 I CA 1.698 63.043 61.300 0.075 0.000 1.332 125 I CB -1.568 36.582 38.000 0.250 0.000 1.044 125 I HN 0.139 nan 8.210 nan 0.000 0.402 126 P HA -0.134 nan 4.420 nan 0.000 0.217 126 P C 1.746 178.989 177.300 -0.095 0.000 1.150 126 P CA 1.656 64.724 63.100 -0.053 0.000 0.832 126 P CB -0.343 31.209 31.700 -0.247 0.000 0.787 127 V N -4.422 115.400 119.914 -0.153 0.000 3.217 127 V HA 0.003 4.123 4.120 0.001 0.000 0.264 127 V C 2.152 178.079 176.094 -0.279 0.000 1.135 127 V CA 1.099 63.232 62.300 -0.278 0.000 1.142 127 V CB -1.498 30.017 31.823 -0.512 0.000 0.754 127 V HN -0.080 nan 8.190 nan 0.000 0.484 128 M N 0.909 120.372 119.600 -0.228 0.000 2.619 128 M HA 0.091 4.571 4.480 0.001 0.000 0.251 128 M C 1.050 177.260 176.300 -0.150 0.000 1.106 128 M CA 0.254 55.439 55.300 -0.191 0.000 1.086 128 M CB -0.120 32.371 32.600 -0.182 0.000 1.465 128 M HN 0.397 nan 8.290 nan 0.000 0.506 129 S N 0.919 116.540 115.700 -0.131 0.000 2.584 129 S HA -0.025 4.446 4.470 0.001 0.000 0.270 129 S C 0.803 175.346 174.600 -0.095 0.000 1.346 129 S CA -0.535 57.602 58.200 -0.104 0.000 1.018 129 S CB 0.560 63.715 63.200 -0.076 0.000 0.899 129 S HN 0.310 nan 8.310 nan 0.000 0.542 130 D N 0.392 120.744 120.400 -0.080 0.000 2.178 130 D HA 0.036 4.676 4.640 0.001 0.000 0.202 130 D C 0.282 176.545 176.300 -0.062 0.000 0.974 130 D CA 1.228 55.188 54.000 -0.067 0.000 0.841 130 D CB 0.109 40.875 40.800 -0.057 0.000 0.953 130 D HN 0.355 nan 8.370 nan 0.000 0.478 131 I N 0.718 121.253 120.570 -0.058 0.000 2.533 131 I HA 0.170 4.341 4.170 0.001 0.000 0.290 131 I C -0.941 175.148 176.117 -0.046 0.000 1.056 131 I CA -0.715 60.556 61.300 -0.049 0.000 1.057 131 I CB 3.111 41.087 38.000 -0.039 0.000 1.240 131 I HN -0.395 nan 8.210 nan 0.000 0.423 132 V N 7.145 127.032 119.914 -0.045 0.000 2.407 132 V HA 0.486 4.606 4.120 0.001 0.000 0.291 132 V C -0.241 175.851 176.094 -0.005 0.000 1.018 132 V CA -0.476 61.804 62.300 -0.033 0.000 0.842 132 V CB 1.580 33.361 31.823 -0.070 0.000 0.996 132 V HN 0.453 nan 8.190 nan 0.000 0.426 133 L N 4.092 125.328 121.223 0.020 0.000 2.334 133 L HA 0.970 5.310 4.340 0.001 0.000 0.276 133 L C 0.088 177.001 176.870 0.073 0.000 1.014 133 L CA -0.635 54.229 54.840 0.039 0.000 0.815 133 L CB 1.971 44.050 42.059 0.034 0.000 1.268 133 L HN 0.692 nan 8.230 nan 0.000 0.428 134 A N 1.797 124.668 122.820 0.085 0.000 2.393 134 A HA 0.855 5.175 4.320 0.001 0.000 0.306 134 A C -0.255 177.374 177.584 0.076 0.000 1.050 134 A CA -0.505 51.595 52.037 0.106 0.000 0.724 134 A CB 1.580 20.691 19.000 0.185 0.000 1.248 134 A HN 0.792 nan 8.150 nan 0.000 0.424 135 A N 0.884 123.743 122.820 0.064 0.000 2.448 135 A HA 0.392 4.712 4.320 0.001 0.000 0.239 135 A C 1.014 178.626 177.584 0.045 0.000 1.080 135 A CA -0.008 52.061 52.037 0.053 0.000 0.779 135 A CB 0.043 19.073 19.000 0.051 0.000 1.026 135 A HN 0.866 nan 8.150 nan 0.000 0.499 136 E N 0.722 120.946 120.200 0.039 0.000 2.171 136 E HA -0.176 4.174 4.350 0.001 0.000 0.197 136 E C 2.064 178.680 176.600 0.027 0.000 0.997 136 E CA 1.805 58.225 56.400 0.034 0.000 0.810 136 E CB -0.216 29.501 29.700 0.029 0.000 0.738 136 E HN 0.823 nan 8.360 nan 0.000 0.467 137 S N -0.066 115.646 115.700 0.021 0.000 2.593 137 S HA 0.261 4.731 4.470 0.001 0.000 0.217 137 S C 0.953 175.543 174.600 -0.018 0.000 0.966 137 S CA 0.088 58.293 58.200 0.009 0.000 0.914 137 S CB 0.149 63.358 63.200 0.014 0.000 0.776 137 S HN 0.199 nan 8.310 nan 0.000 0.523 138 A N 2.188 124.989 122.820 -0.032 0.000 2.462 138 A HA 0.535 4.855 4.320 0.001 0.000 0.243 138 A C 0.656 178.138 177.584 -0.169 0.000 1.076 138 A CA 0.219 52.174 52.037 -0.138 0.000 0.773 138 A CB -0.030 18.885 19.000 -0.142 0.000 1.010 138 A HN 0.698 nan 8.150 nan 0.000 0.493 139 T N -1.188 113.167 114.554 -0.331 0.000 2.896 139 T HA 0.746 5.096 4.350 0.001 0.000 0.297 139 T C -0.861 173.543 174.700 -0.493 0.000 1.108 139 T CA -0.564 61.403 62.100 -0.221 0.000 1.004 139 T CB 1.113 69.944 68.868 -0.063 0.000 1.159 139 T HN 0.403 nan 8.240 nan 0.000 0.499 140 F N 0.609 120.592 119.950 0.056 0.000 2.539 140 F HA 0.704 5.231 4.527 0.001 0.000 0.318 140 F C 0.051 175.939 175.800 0.147 0.000 1.135 140 F CA -0.632 57.430 58.000 0.103 0.000 0.915 140 F CB 2.487 41.553 39.000 0.110 0.000 1.176 140 F HN 0.774 nan 8.300 nan 0.000 0.440 141 Q N 1.646 121.581 119.800 0.225 0.000 2.353 141 Q HA 0.234 4.575 4.340 0.001 0.000 0.275 141 Q C -1.961 173.991 176.000 -0.080 0.000 1.029 141 Q CA -0.797 55.000 55.803 -0.011 0.000 0.848 141 Q CB 2.472 31.166 28.738 -0.073 0.000 1.390 141 Q HN 0.609 nan 8.270 nan 0.000 0.401 142 D N 2.339 122.510 120.400 -0.382 0.000 2.517 142 D HA 0.246 4.886 4.640 0.001 0.000 0.220 142 D C 0.930 177.165 176.300 -0.109 0.000 1.158 142 D CA 0.506 54.411 54.000 -0.159 0.000 0.992 142 D CB 0.395 41.080 40.800 -0.192 0.000 1.058 142 D HN 0.709 nan 8.370 nan 0.000 0.516 143 G N 3.335 112.086 108.800 -0.082 0.000 2.453 143 G HA2 -0.153 3.808 3.960 0.001 0.000 0.215 143 G HA3 -0.153 3.808 3.960 0.001 0.000 0.215 143 G C -0.787 174.084 174.900 -0.049 0.000 1.201 143 G CA 0.222 45.279 45.100 -0.071 0.000 0.784 143 G HN 0.476 nan 8.290 nan 0.000 0.545 144 P HA 0.187 nan 4.420 nan 0.000 0.257 144 P C -0.019 177.227 177.300 -0.089 0.000 1.281 144 P CA 0.516 63.585 63.100 -0.051 0.000 0.826 144 P CB 0.173 31.717 31.700 -0.260 0.000 1.237 145 H N -1.814 117.338 119.070 0.137 0.000 3.451 145 H HA 0.204 4.760 4.556 0.001 0.000 0.250 145 H C 1.236 176.658 175.328 0.156 0.000 1.398 145 H CA -0.073 56.071 56.048 0.161 0.000 1.896 145 H CB -0.795 29.061 29.762 0.157 0.000 1.575 145 H HN -0.187 nan 8.280 nan 0.000 0.539 146 F N 1.768 121.790 119.950 0.121 0.000 2.171 146 F HA -0.027 4.501 4.527 0.001 0.000 0.300 146 F C -0.992 174.800 175.800 -0.013 0.000 1.090 146 F CA 0.416 58.431 58.000 0.025 0.000 1.293 146 F CB -0.880 38.106 39.000 -0.023 0.000 1.013 146 F HN 0.169 nan 8.300 nan 0.000 0.486 147 P HA -0.135 nan 4.420 nan 0.000 0.217 147 P C 1.304 178.543 177.300 -0.102 0.000 1.148 147 P CA 1.769 64.825 63.100 -0.073 0.000 0.828 147 P CB -0.038 31.642 31.700 -0.033 0.000 0.783 148 S N -1.932 113.731 115.700 -0.061 0.000 2.577 148 S HA 0.330 4.801 4.470 0.001 0.000 0.219 148 S C 1.343 175.857 174.600 -0.143 0.000 0.962 148 S CA 0.440 58.583 58.200 -0.096 0.000 0.921 148 S CB -0.505 62.661 63.200 -0.058 0.000 0.789 148 S HN 0.325 nan 8.310 nan 0.000 0.497 149 G N 1.772 110.449 108.800 -0.205 0.000 2.176 149 G HA2 -0.245 3.715 3.960 0.001 0.000 0.252 149 G HA3 -0.245 3.715 3.960 0.001 0.000 0.252 149 G C -0.090 174.765 174.900 -0.075 0.000 1.024 149 G CA -0.065 44.893 45.100 -0.235 0.000 0.755 149 G HN 0.518 nan 8.290 nan 0.000 0.507 150 I N 0.339 120.937 120.570 0.047 0.000 2.474 150 I HA 0.366 4.536 4.170 0.001 0.000 0.294 150 I C 0.891 177.179 176.117 0.286 0.000 1.005 150 I CA -1.355 60.048 61.300 0.171 0.000 1.113 150 I CB 2.037 40.181 38.000 0.240 0.000 1.289 150 I HN -0.111 nan 8.210 nan 0.000 0.436 151 V N 8.005 128.045 119.914 0.210 0.000 2.599 151 V HA 0.044 4.165 4.120 0.001 0.000 0.300 151 V C -1.654 174.482 176.094 0.070 0.000 1.034 151 V CA -0.775 61.615 62.300 0.150 0.000 1.115 151 V CB 0.244 32.085 31.823 0.031 0.000 0.934 151 V HN 0.625 nan 8.190 nan 0.000 0.485 152 P HA 0.135 nan 4.420 nan 0.000 0.226 152 P C 0.699 177.861 177.300 -0.230 0.000 1.783 152 P CA 0.188 63.111 63.100 -0.294 0.000 0.980 152 P CB 0.095 31.753 31.700 -0.070 0.000 1.967 153 G N 1.359 110.022 108.800 -0.229 0.000 3.393 153 G HA2 -0.025 3.935 3.960 0.001 0.000 0.255 153 G HA3 -0.025 3.935 3.960 0.001 0.000 0.255 153 G C 0.575 175.471 174.900 -0.006 0.000 1.097 153 G CA -0.174 44.760 45.100 -0.277 0.000 0.780 153 G HN 0.326 nan 8.290 nan 0.000 0.540 154 D N -0.880 119.594 120.400 0.123 0.000 2.388 154 D HA 0.260 4.900 4.640 0.001 0.000 0.221 154 D C 1.490 177.944 176.300 0.257 0.000 1.133 154 D CA 0.216 54.360 54.000 0.240 0.000 0.831 154 D CB -0.047 40.933 40.800 0.299 0.000 0.962 154 D HN 0.353 nan 8.370 nan 0.000 0.502 155 G N -0.160 108.818 108.800 0.296 0.000 2.316 155 G HA2 -0.256 3.705 3.960 0.001 0.000 0.203 155 G HA3 -0.256 3.705 3.960 0.001 0.000 0.203 155 G C 1.343 176.258 174.900 0.025 0.000 0.999 155 G CA 0.219 45.340 45.100 0.036 0.000 0.649 155 G HN 0.636 nan 8.290 nan 0.000 0.489 156 A N 1.327 124.265 122.820 0.196 0.000 1.917 156 A HA -0.119 4.201 4.320 0.001 0.000 0.219 156 A C 2.051 179.823 177.584 0.314 0.000 1.182 156 A CA 2.583 54.828 52.037 0.346 0.000 0.633 156 A CB -1.046 18.145 19.000 0.319 0.000 0.819 156 A HN 1.337 nan 8.150 nan 0.000 0.448 157 H N -1.149 117.981 119.070 0.099 0.000 2.456 157 H HA -0.010 4.546 4.556 0.001 0.000 0.296 157 H C 1.792 177.154 175.328 0.057 0.000 1.079 157 H CA 1.684 57.773 56.048 0.068 0.000 1.322 157 H CB -0.946 28.812 29.762 -0.006 0.000 1.388 157 H HN 0.275 nan 8.280 nan 0.000 0.538 158 V N 0.835 120.458 119.914 -0.487 0.000 2.374 158 V HA -0.127 3.993 4.120 0.001 0.000 0.241 158 V C 2.987 178.980 176.094 -0.169 0.000 1.034 158 V CA 1.022 63.099 62.300 -0.373 0.000 1.037 158 V CB -0.326 31.214 31.823 -0.472 0.000 0.682 158 V HN 0.233 nan 8.190 nan 0.000 0.463 159 V N -1.017 118.777 119.914 -0.200 0.000 2.307 159 V HA -0.241 3.879 4.120 0.001 0.000 0.245 159 V C 2.138 178.071 176.094 -0.268 0.000 1.045 159 V CA 2.121 64.254 62.300 -0.279 0.000 1.024 159 V CB -0.738 30.803 31.823 -0.470 0.000 0.651 159 V HN 0.634 nan 8.190 nan 0.000 0.449 160 W N -0.138 121.165 121.300 0.003 0.000 2.381 160 W HA -0.040 4.620 4.660 0.001 0.000 0.301 160 W C -0.018 176.487 176.519 -0.024 0.000 1.205 160 W CA 1.058 58.389 57.345 -0.024 0.000 1.285 160 W CB -2.013 27.492 29.460 0.074 0.000 1.133 160 W HN 0.320 nan 8.180 nan 0.000 0.521 161 P HA -0.216 nan 4.420 nan 0.000 0.218 161 P C 1.076 178.405 177.300 0.050 0.000 1.149 161 P CA 1.893 65.056 63.100 0.105 0.000 0.817 161 P CB -0.087 31.668 31.700 0.092 0.000 0.785 162 H N -0.179 118.852 119.070 -0.064 0.000 2.357 162 H HA -0.081 4.476 4.556 0.001 0.000 0.301 162 H C 1.527 176.786 175.328 -0.115 0.000 1.082 162 H CA 1.798 57.785 56.048 -0.101 0.000 1.342 162 H CB -0.595 29.085 29.762 -0.138 0.000 1.389 162 H HN -0.050 nan 8.280 nan 0.000 0.511 163 V N -1.543 118.254 119.914 -0.194 0.000 2.599 163 V HA 0.039 4.159 4.120 0.001 0.000 0.245 163 V C 2.037 178.034 176.094 -0.162 0.000 1.046 163 V CA 1.217 63.366 62.300 -0.252 0.000 1.065 163 V CB -0.433 31.215 31.823 -0.291 0.000 0.703 163 V HN 0.348 nan 8.190 nan 0.000 0.464 164 L N 1.258 122.439 121.223 -0.071 0.000 2.477 164 L HA 0.587 4.928 4.340 0.001 0.000 0.220 164 L C 1.274 178.073 176.870 -0.118 0.000 1.106 164 L CA 0.747 55.551 54.840 -0.061 0.000 0.851 164 L CB -0.599 41.471 42.059 0.018 0.000 0.994 164 L HN 0.699 nan 8.230 nan 0.000 0.462 165 G N -0.345 108.400 108.800 -0.093 0.000 2.662 165 G HA2 -0.244 3.716 3.960 0.001 0.000 0.686 165 G HA3 -0.244 3.716 3.960 0.001 0.000 0.686 165 G C 0.381 175.258 174.900 -0.039 0.000 1.271 165 G CA -0.129 44.920 45.100 -0.086 0.000 0.816 165 G HN -0.012 nan 8.290 nan 0.000 0.608 166 S N -0.148 115.533 115.700 -0.031 0.000 2.359 166 S HA -0.164 4.306 4.470 0.001 0.000 0.224 166 S C 2.136 176.742 174.600 0.010 0.000 1.035 166 S CA 2.471 60.669 58.200 -0.003 0.000 1.018 166 S CB -0.299 62.894 63.200 -0.011 0.000 0.876 166 S HN 0.670 nan 8.310 nan 0.000 0.448 167 N N 0.684 119.374 118.700 -0.017 0.000 2.290 167 N HA 0.145 4.885 4.740 0.001 0.000 0.179 167 N C 1.886 177.410 175.510 0.024 0.000 1.016 167 N CA 0.714 53.763 53.050 -0.002 0.000 0.871 167 N CB -0.353 38.110 38.487 -0.039 0.000 0.987 167 N HN 0.405 nan 8.380 nan 0.000 0.431 168 R N 0.045 120.520 120.500 -0.042 0.000 2.092 168 R HA 0.047 4.387 4.340 0.001 0.000 0.231 168 R C 2.159 178.549 176.300 0.150 0.000 1.119 168 R CA 1.236 57.321 56.100 -0.025 0.000 0.970 168 R CB -0.456 29.666 30.300 -0.296 0.000 0.864 168 R HN 0.228 nan 8.270 nan 0.000 0.440 169 G N 0.752 109.627 108.800 0.125 0.000 2.404 169 G HA2 -0.242 3.718 3.960 0.001 0.000 0.215 169 G HA3 -0.242 3.718 3.960 0.001 0.000 0.215 169 G C 1.388 176.439 174.900 0.252 0.000 1.174 169 G CA 0.329 45.565 45.100 0.225 0.000 0.780 169 G HN 0.217 nan 8.290 nan 0.000 0.537 170 R N -1.062 119.537 120.500 0.164 0.000 2.075 170 R HA -0.052 4.288 4.340 0.001 0.000 0.232 170 R C 2.326 178.694 176.300 0.112 0.000 1.126 170 R CA 1.294 57.460 56.100 0.110 0.000 0.963 170 R CB -0.570 29.768 30.300 0.063 0.000 0.858 170 R HN 0.508 nan 8.270 nan 0.000 0.435 171 Y N 0.679 121.011 120.300 0.052 0.000 2.145 171 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 171 Y C 2.065 178.011 175.900 0.076 0.000 1.145 171 Y CA 1.591 59.720 58.100 0.048 0.000 1.148 171 Y CB -0.430 38.064 38.460 0.057 0.000 0.981 171 Y HN 0.011 nan 8.280 nan 0.000 0.507 172 F N 0.474 120.464 119.950 0.067 0.000 2.120 172 F HA -0.265 4.263 4.527 0.001 0.000 0.300 172 F C 1.723 177.417 175.800 -0.177 0.000 1.095 172 F CA 1.952 59.914 58.000 -0.064 0.000 1.249 172 F CB -0.505 38.466 39.000 -0.048 0.000 0.995 172 F HN 0.076 nan 8.300 nan 0.000 0.480 173 L N -0.496 120.664 121.223 -0.105 0.000 2.240 173 L HA -0.097 4.244 4.340 0.001 0.000 0.211 173 L C 2.076 178.796 176.870 -0.250 0.000 1.106 173 L CA 0.590 55.305 54.840 -0.208 0.000 0.793 173 L CB -0.387 41.663 42.059 -0.015 0.000 0.927 173 L HN 0.221 nan 8.230 nan 0.000 0.446 174 L N -1.004 120.054 121.223 -0.275 0.000 2.477 174 L HA 0.016 4.357 4.340 0.001 0.000 0.220 174 L C 1.958 178.746 176.870 -0.136 0.000 1.106 174 L CA 0.909 55.555 54.840 -0.322 0.000 0.851 174 L CB -0.113 41.750 42.059 -0.326 0.000 0.994 174 L HN 0.314 nan 8.230 nan 0.000 0.462 175 T N -4.853 109.529 114.554 -0.286 0.000 3.084 175 T HA 0.300 4.650 4.350 0.001 0.000 0.270 175 T C 1.278 175.839 174.700 -0.232 0.000 1.008 175 T CA 0.339 62.266 62.100 -0.287 0.000 0.900 175 T CB 0.841 69.347 68.868 -0.604 0.000 1.084 175 T HN 0.285 nan 8.240 nan 0.000 0.538 176 G N 1.686 110.341 108.800 -0.242 0.000 2.160 176 G HA2 -0.298 3.662 3.960 0.001 0.000 0.251 176 G HA3 -0.298 3.662 3.960 0.001 0.000 0.251 176 G C -0.148 174.598 174.900 -0.258 0.000 1.008 176 G CA 0.233 45.197 45.100 -0.226 0.000 0.724 176 G HN 0.890 nan 8.290 nan 0.000 0.514 177 Q N 0.225 119.827 119.800 -0.329 0.000 2.330 177 Q HA 0.328 4.668 4.340 0.001 0.000 0.279 177 Q C 0.174 176.107 176.000 -0.112 0.000 1.024 177 Q CA 0.334 56.052 55.803 -0.142 0.000 0.900 177 Q CB 0.335 29.109 28.738 0.060 0.000 1.221 177 Q HN 0.550 nan 8.270 nan 0.000 0.396 178 E N 4.827 125.041 120.200 0.024 0.000 2.145 178 E HA 0.273 4.623 4.350 0.001 0.000 0.270 178 E C -1.228 175.452 176.600 0.133 0.000 0.906 178 E CA -0.523 55.925 56.400 0.078 0.000 0.761 178 E CB 0.776 30.493 29.700 0.029 0.000 1.116 178 E HN 0.606 nan 8.360 nan 0.000 0.408 179 L N 4.824 126.173 121.223 0.209 0.000 2.290 179 L HA 0.225 4.566 4.340 0.001 0.000 0.284 179 L C 0.421 177.374 176.870 0.138 0.000 1.078 179 L CA -0.872 54.036 54.840 0.114 0.000 0.815 179 L CB 0.434 42.528 42.059 0.058 0.000 1.162 179 L HN 0.647 nan 8.230 nan 0.000 0.435 180 D N 2.633 123.066 120.400 0.056 0.000 2.414 180 D HA 0.173 4.813 4.640 0.001 0.000 0.251 180 D C 0.959 177.318 176.300 0.098 0.000 1.252 180 D CA -0.170 53.868 54.000 0.064 0.000 0.999 180 D CB 0.946 41.761 40.800 0.026 0.000 1.093 180 D HN 0.456 nan 8.370 nan 0.000 0.515 181 A N -0.161 122.717 122.820 0.096 0.000 1.930 181 A HA -0.153 4.167 4.320 0.001 0.000 0.217 181 A C 2.141 179.759 177.584 0.058 0.000 1.175 181 A CA 0.989 53.105 52.037 0.132 0.000 0.627 181 A CB -0.400 18.658 19.000 0.097 0.000 0.815 181 A HN 0.470 nan 8.150 nan 0.000 0.443 182 R N -0.735 119.777 120.500 0.019 0.000 2.119 182 R HA -0.028 4.312 4.340 0.001 0.000 0.222 182 R C 2.033 178.301 176.300 -0.052 0.000 1.088 182 R CA 1.540 57.636 56.100 -0.006 0.000 0.984 182 R CB -1.004 29.295 30.300 -0.001 0.000 0.884 182 R HN 0.533 nan 8.270 nan 0.000 0.447 183 T N 1.414 115.906 114.554 -0.103 0.000 2.777 183 T HA -0.071 4.279 4.350 0.001 0.000 0.266 183 T C 1.990 176.468 174.700 -0.370 0.000 1.040 183 T CA 1.427 63.365 62.100 -0.269 0.000 1.141 183 T CB -0.164 68.506 68.868 -0.329 0.000 0.868 183 T HN 0.322 nan 8.240 nan 0.000 0.444 184 A N 1.236 123.919 122.820 -0.228 0.000 1.933 184 A HA -0.008 4.312 4.320 0.001 0.000 0.218 184 A C 2.238 179.745 177.584 -0.128 0.000 1.175 184 A CA 1.244 53.148 52.037 -0.222 0.000 0.628 184 A CB -0.758 18.099 19.000 -0.238 0.000 0.814 184 A HN 0.414 nan 8.150 nan 0.000 0.444 185 L N 0.204 121.386 121.223 -0.069 0.000 2.027 185 L HA -0.143 4.198 4.340 0.001 0.000 0.206 185 L C 1.962 178.829 176.870 -0.005 0.000 1.074 185 L CA 2.782 57.603 54.840 -0.032 0.000 0.745 185 L CB -0.622 41.431 42.059 -0.010 0.000 0.898 185 L HN 0.457 nan 8.230 nan 0.000 0.433 186 D N -1.853 118.550 120.400 0.005 0.000 2.144 186 D HA -0.258 4.383 4.640 0.001 0.000 0.199 186 D C 1.759 178.165 176.300 0.178 0.000 0.984 186 D CA 1.328 55.370 54.000 0.070 0.000 0.834 186 D CB -0.106 40.737 40.800 0.072 0.000 0.955 186 D HN 0.432 nan 8.370 nan 0.000 0.465 187 Y N -0.390 119.875 120.300 -0.058 0.000 2.561 187 Y HA 0.243 4.793 4.550 0.001 0.000 0.291 187 Y C 2.137 177.981 175.900 -0.093 0.000 1.141 187 Y CA 0.664 58.720 58.100 -0.072 0.000 1.303 187 Y CB -0.063 38.348 38.460 -0.081 0.000 1.015 187 Y HN 0.151 nan 8.280 nan 0.000 0.547 188 G N -0.883 107.949 108.800 0.054 0.000 2.141 188 G HA2 -0.274 3.687 3.960 0.001 0.000 0.242 188 G HA3 -0.274 3.687 3.960 0.001 0.000 0.242 188 G C 1.358 176.209 174.900 -0.080 0.000 0.982 188 G CA 0.510 45.593 45.100 -0.028 0.000 0.662 188 G HN 0.545 nan 8.290 nan 0.000 0.527 189 A N -1.023 121.737 122.820 -0.101 0.000 2.016 189 A HA 0.614 4.934 4.320 0.001 0.000 0.217 189 A C 1.203 178.651 177.584 -0.225 0.000 1.162 189 A CA 1.650 53.564 52.037 -0.204 0.000 0.662 189 A CB 0.341 19.182 19.000 -0.265 0.000 0.812 189 A HN 1.067 nan 8.150 nan 0.000 0.450 190 V N 0.506 120.316 119.914 -0.173 0.000 2.513 190 V HA 0.188 4.309 4.120 0.001 0.000 0.299 190 V C 0.342 176.400 176.094 -0.061 0.000 1.035 190 V CA -0.443 61.791 62.300 -0.110 0.000 0.889 190 V CB 1.498 33.279 31.823 -0.070 0.000 0.988 190 V HN 0.559 nan 8.190 nan 0.000 0.440 191 N N 2.150 120.826 118.700 -0.041 0.000 2.387 191 N HA 0.138 4.878 4.740 0.001 0.000 0.176 191 N C -0.174 175.330 175.510 -0.010 0.000 1.022 191 N CA 0.325 53.358 53.050 -0.028 0.000 0.883 191 N CB 0.536 39.005 38.487 -0.030 0.000 1.019 191 N HN 0.711 nan 8.380 nan 0.000 0.435 192 E N 0.189 120.390 120.200 0.002 0.000 2.331 192 E HA 0.382 4.732 4.350 0.001 0.000 0.275 192 E C -1.526 175.091 176.600 0.029 0.000 0.895 192 E CA -0.601 55.807 56.400 0.014 0.000 0.753 192 E CB 3.116 32.825 29.700 0.016 0.000 1.216 192 E HN -0.232 nan 8.360 nan 0.000 0.434 193 V N 3.654 123.586 119.914 0.030 0.000 2.417 193 V HA 0.482 4.602 4.120 0.001 0.000 0.291 193 V C -0.515 175.601 176.094 0.037 0.000 1.024 193 V CA -0.545 61.779 62.300 0.040 0.000 0.861 193 V CB 0.946 32.792 31.823 0.038 0.000 0.985 193 V HN 0.484 nan 8.190 nan 0.000 0.436 194 L N 3.333 124.581 121.223 0.043 0.000 2.350 194 L HA 0.618 4.958 4.340 0.001 0.000 0.260 194 L C 0.500 177.395 176.870 0.042 0.000 1.015 194 L CA -0.415 54.450 54.840 0.041 0.000 0.821 194 L CB 2.471 44.558 42.059 0.047 0.000 1.370 194 L HN 0.749 nan 8.230 nan 0.000 0.416 195 S N -0.223 115.500 115.700 0.038 0.000 2.576 195 S HA 0.216 4.686 4.470 0.001 0.000 0.272 195 S C 1.216 175.843 174.600 0.045 0.000 1.352 195 S CA 0.299 58.522 58.200 0.038 0.000 1.021 195 S CB 0.982 64.201 63.200 0.033 0.000 0.887 195 S HN 0.775 nan 8.310 nan 0.000 0.542 196 E N 0.358 120.584 120.200 0.043 0.000 2.118 196 E HA -0.149 4.202 4.350 0.001 0.000 0.195 196 E C 2.134 178.767 176.600 0.055 0.000 0.992 196 E CA 1.787 58.217 56.400 0.050 0.000 0.804 196 E CB -1.285 28.442 29.700 0.044 0.000 0.741 196 E HN 0.690 nan 8.360 nan 0.000 0.458 197 Q N -0.740 119.089 119.800 0.048 0.000 2.245 197 Q HA -0.069 4.271 4.340 0.001 0.000 0.201 197 Q C 2.128 178.163 176.000 0.057 0.000 0.955 197 Q CA 1.389 57.222 55.803 0.049 0.000 0.870 197 Q CB -0.047 28.713 28.738 0.038 0.000 0.945 197 Q HN 0.903 nan 8.270 nan 0.000 0.461 198 E N -0.161 120.072 120.200 0.055 0.000 2.371 198 E HA -0.030 4.321 4.350 0.001 0.000 0.194 198 E C 1.854 178.500 176.600 0.076 0.000 1.012 198 E CA 0.538 56.974 56.400 0.061 0.000 0.860 198 E CB 0.029 29.758 29.700 0.049 0.000 0.811 198 E HN 0.265 nan 8.360 nan 0.000 0.502 199 L N 0.913 122.184 121.223 0.079 0.000 1.961 199 L HA -0.194 4.146 4.340 0.001 0.000 0.210 199 L C 1.954 178.890 176.870 0.109 0.000 1.072 199 L CA 1.764 56.655 54.840 0.086 0.000 0.749 199 L CB -0.427 41.684 42.059 0.086 0.000 0.889 199 L HN 0.123 nan 8.230 nan 0.000 0.432 200 L N -0.632 120.677 121.223 0.142 0.000 2.017 200 L HA -0.139 4.201 4.340 0.001 0.000 0.208 200 L C -0.070 176.988 176.870 0.314 0.000 1.073 200 L CA 1.326 56.298 54.840 0.220 0.000 0.745 200 L CB -1.825 40.397 42.059 0.271 0.000 0.894 200 L HN 0.240 nan 8.230 nan 0.000 0.432 201 P HA -0.223 nan 4.420 nan 0.000 0.217 201 P C 1.377 178.791 177.300 0.191 0.000 1.151 201 P CA 1.323 64.549 63.100 0.209 0.000 0.849 201 P CB 0.005 31.774 31.700 0.115 0.000 0.787 202 R N 0.042 120.623 120.500 0.134 0.000 2.073 202 R HA 0.014 4.354 4.340 0.001 0.000 0.229 202 R C 2.063 178.413 176.300 0.083 0.000 1.120 202 R CA 1.754 57.912 56.100 0.096 0.000 0.967 202 R CB -1.451 28.889 30.300 0.066 0.000 0.862 202 R HN 0.031 nan 8.270 nan 0.000 0.436 203 A N -0.508 122.351 122.820 0.065 0.000 1.908 203 A HA -0.163 4.158 4.320 0.001 0.000 0.218 203 A C 2.086 179.622 177.584 -0.082 0.000 1.181 203 A CA 1.489 53.504 52.037 -0.036 0.000 0.627 203 A CB -1.128 17.817 19.000 -0.092 0.000 0.818 203 A HN 0.580 nan 8.150 nan 0.000 0.445 204 W N -0.165 121.153 121.300 0.030 0.000 2.358 204 W HA -0.102 4.558 4.660 0.000 0.000 0.303 204 W C 2.372 178.901 176.519 0.017 0.000 1.208 204 W CA 1.418 58.778 57.345 0.024 0.000 1.274 204 W CB -0.115 29.358 29.460 0.022 0.000 1.138 204 W HN 0.541 nan 8.180 nan 0.000 0.515 205 E N 0.498 120.839 120.200 0.236 0.000 2.038 205 E HA -0.244 4.106 4.350 0.001 0.000 0.195 205 E C 2.047 178.698 176.600 0.087 0.000 1.000 205 E CA 1.657 58.141 56.400 0.141 0.000 0.803 205 E CB -0.484 29.277 29.700 0.102 0.000 0.750 205 E HN 0.249 nan 8.360 nan 0.000 0.448 206 L N 0.398 121.654 121.223 0.054 0.000 2.046 206 L HA -0.180 4.160 4.340 0.001 0.000 0.208 206 L C 2.715 179.589 176.870 0.006 0.000 1.077 206 L CA 1.194 56.046 54.840 0.019 0.000 0.747 206 L CB -0.471 41.587 42.059 -0.001 0.000 0.896 206 L HN 0.238 nan 8.230 nan 0.000 0.432 207 A N -0.093 122.718 122.820 -0.015 0.000 1.902 207 A HA -0.195 4.125 4.320 0.001 0.000 0.217 207 A C 2.380 179.976 177.584 0.020 0.000 1.181 207 A CA 1.406 53.416 52.037 -0.043 0.000 0.623 207 A CB -0.457 18.442 19.000 -0.167 0.000 0.818 207 A HN 0.307 nan 8.150 nan 0.000 0.443 208 R N -0.938 119.615 120.500 0.088 0.000 2.081 208 R HA -0.105 4.235 4.340 0.001 0.000 0.235 208 R C 2.387 178.719 176.300 0.054 0.000 1.131 208 R CA 1.139 57.300 56.100 0.102 0.000 0.960 208 R CB -0.598 29.787 30.300 0.141 0.000 0.856 208 R HN 0.540 nan 8.270 nan 0.000 0.436 209 G N 1.036 109.862 108.800 0.043 0.000 2.418 209 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 209 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 209 G C 1.440 176.346 174.900 0.012 0.000 1.158 209 G CA 0.499 45.614 45.100 0.025 0.000 0.771 209 G HN 0.165 nan 8.290 nan 0.000 0.545 210 I N 1.268 121.840 120.570 0.005 0.000 2.315 210 I HA -0.107 4.063 4.170 0.001 0.000 0.248 210 I C 3.222 179.334 176.117 -0.008 0.000 1.117 210 I CA 0.830 62.125 61.300 -0.007 0.000 1.404 210 I CB -0.165 37.824 38.000 -0.018 0.000 1.071 210 I HN 0.235 nan 8.210 nan 0.000 0.419 211 A N 0.218 123.038 122.820 -0.001 0.000 2.019 211 A HA -0.166 4.155 4.320 0.001 0.000 0.219 211 A C 2.075 179.659 177.584 -0.000 0.000 1.164 211 A CA 1.369 53.406 52.037 -0.000 0.000 0.644 211 A CB -0.308 18.701 19.000 0.016 0.000 0.805 211 A HN 0.307 nan 8.150 nan 0.000 0.449 212 E N 0.515 120.718 120.200 0.005 0.000 2.435 212 E HA 0.005 4.355 4.350 0.001 0.000 0.195 212 E C 0.260 176.856 176.600 -0.006 0.000 1.029 212 E CA 0.296 56.697 56.400 0.002 0.000 0.865 212 E CB -0.021 29.684 29.700 0.009 0.000 0.833 212 E HN 0.452 nan 8.360 nan 0.000 0.510 213 K N 1.541 121.935 120.400 -0.011 0.000 2.276 213 K HA 0.156 4.476 4.320 0.001 0.000 0.259 213 K C -2.239 174.345 176.600 -0.027 0.000 1.001 213 K CA -1.661 54.615 56.287 -0.017 0.000 0.927 213 K CB -0.640 31.849 32.500 -0.019 0.000 0.969 213 K HN -0.096 nan 8.250 nan 0.000 0.490 214 P HA -0.049 nan 4.420 nan 0.000 0.266 214 P C 0.953 178.212 177.300 -0.068 0.000 1.195 214 P CA -0.263 62.811 63.100 -0.043 0.000 0.768 214 P CB 0.401 32.077 31.700 -0.039 0.000 0.838 215 L N 4.277 125.455 121.223 -0.076 0.000 1.976 215 L HA -0.235 4.105 4.340 0.001 0.000 0.223 215 L C 1.830 178.593 176.870 -0.178 0.000 1.081 215 L CA 2.077 56.856 54.840 -0.103 0.000 0.784 215 L CB -1.251 40.754 42.059 -0.090 0.000 0.896 215 L HN 0.363 nan 8.230 nan 0.000 0.438 216 L N -1.013 120.070 121.223 -0.235 0.000 2.217 216 L HA -0.081 4.259 4.340 0.001 0.000 0.211 216 L C 2.628 179.250 176.870 -0.413 0.000 1.107 216 L CA 0.828 55.381 54.840 -0.479 0.000 0.783 216 L CB -0.892 40.882 42.059 -0.475 0.000 0.919 216 L HN 0.455 nan 8.230 nan 0.000 0.442 217 A N 0.351 123.064 122.820 -0.179 0.000 1.902 217 A HA -0.238 4.082 4.320 0.001 0.000 0.217 217 A C 2.441 179.989 177.584 -0.060 0.000 1.181 217 A CA 1.640 53.632 52.037 -0.074 0.000 0.623 217 A CB -0.493 18.485 19.000 -0.037 0.000 0.818 217 A HN 0.308 nan 8.150 nan 0.000 0.443 218 R N -0.555 119.897 120.500 -0.080 0.000 2.073 218 R HA -0.096 4.245 4.340 0.001 0.000 0.234 218 R C 2.465 178.735 176.300 -0.051 0.000 1.134 218 R CA 1.534 57.601 56.100 -0.055 0.000 0.952 218 R CB -0.217 30.049 30.300 -0.057 0.000 0.850 218 R HN 0.518 nan 8.270 nan 0.000 0.433 219 R N -0.931 119.507 120.500 -0.104 0.000 2.066 219 R HA -0.135 4.206 4.340 0.001 0.000 0.232 219 R C 2.080 178.430 176.300 0.083 0.000 1.131 219 R CA 1.443 57.504 56.100 -0.065 0.000 0.955 219 R CB -0.321 29.884 30.300 -0.158 0.000 0.851 219 R HN 0.293 nan 8.270 nan 0.000 0.432 220 Y N 0.340 120.629 120.300 -0.018 0.000 2.439 220 Y HA 0.068 4.618 4.550 0.001 0.000 0.292 220 Y C 2.331 178.218 175.900 -0.022 0.000 1.130 220 Y CA -0.025 58.064 58.100 -0.019 0.000 1.254 220 Y CB -0.872 37.579 38.460 -0.015 0.000 1.000 220 Y HN 0.092 nan 8.280 nan 0.000 0.554 221 A N 0.609 123.496 122.820 0.112 0.000 1.883 221 A HA -0.256 4.065 4.320 0.001 0.000 0.217 221 A C 2.383 179.986 177.584 0.031 0.000 1.186 221 A CA 2.125 54.193 52.037 0.052 0.000 0.624 221 A CB -0.585 18.427 19.000 0.020 0.000 0.822 221 A HN 0.327 nan 8.150 nan 0.000 0.444 222 R N 0.217 120.733 120.500 0.026 0.000 2.081 222 R HA -0.119 4.221 4.340 0.001 0.000 0.235 222 R C 2.103 178.407 176.300 0.008 0.000 1.131 222 R CA 2.314 58.417 56.100 0.005 0.000 0.960 222 R CB -0.495 29.802 30.300 -0.006 0.000 0.856 222 R HN 0.528 nan 8.270 nan 0.000 0.436 223 K N -0.083 120.341 120.400 0.040 0.000 2.057 223 K HA -0.088 4.232 4.320 0.001 0.000 0.207 223 K C 1.805 178.398 176.600 -0.011 0.000 1.049 223 K CA 1.646 57.944 56.287 0.019 0.000 0.931 223 K CB -0.068 32.461 32.500 0.048 0.000 0.714 223 K HN 0.243 nan 8.250 nan 0.000 0.440 224 V N -0.922 118.991 119.914 -0.002 0.000 2.970 224 V HA -0.061 4.060 4.120 0.001 0.000 0.260 224 V C 1.613 177.696 176.094 -0.019 0.000 1.100 224 V CA 1.199 63.488 62.300 -0.019 0.000 1.122 224 V CB -0.373 31.443 31.823 -0.012 0.000 0.721 224 V HN 0.201 nan 8.190 nan 0.000 0.483 225 L N 1.121 122.335 121.223 -0.016 0.000 2.513 225 L HA 0.107 4.447 4.340 0.001 0.000 0.222 225 L C 2.318 179.172 176.870 -0.027 0.000 1.096 225 L CA 1.143 55.971 54.840 -0.020 0.000 0.857 225 L CB -0.184 41.863 42.059 -0.021 0.000 1.026 225 L HN 0.563 nan 8.230 nan 0.000 0.469 226 T N -4.510 110.023 114.554 -0.036 0.000 3.122 226 T HA 0.105 4.456 4.350 0.001 0.000 0.250 226 T C 1.761 176.425 174.700 -0.059 0.000 1.067 226 T CA -0.431 61.638 62.100 -0.051 0.000 0.966 226 T CB 0.059 68.889 68.868 -0.063 0.000 1.002 226 T HN 0.040 nan 8.240 nan 0.000 0.542 227 R N 1.248 121.719 120.500 -0.048 0.000 2.083 227 R HA -0.090 4.251 4.340 0.001 0.000 0.237 227 R C 2.377 178.637 176.300 -0.066 0.000 1.137 227 R CA 1.689 57.758 56.100 -0.053 0.000 0.951 227 R CB -0.615 29.660 30.300 -0.042 0.000 0.851 227 R HN 0.421 nan 8.270 nan 0.000 0.434 228 Q N 0.709 120.476 119.800 -0.055 0.000 2.123 228 Q HA -0.053 4.287 4.340 0.001 0.000 0.199 228 Q C 1.915 177.796 176.000 -0.199 0.000 0.966 228 Q CA 0.972 56.731 55.803 -0.074 0.000 0.845 228 Q CB -0.363 28.383 28.738 0.013 0.000 0.907 228 Q HN 0.171 nan 8.270 nan 0.000 0.439 229 L N 0.300 121.386 121.223 -0.228 0.000 2.083 229 L HA -0.080 4.261 4.340 0.001 0.000 0.209 229 L C 2.011 178.733 176.870 -0.248 0.000 1.083 229 L CA 1.743 56.364 54.840 -0.365 0.000 0.752 229 L CB -0.395 41.516 42.059 -0.246 0.000 0.899 229 L HN 0.122 nan 8.230 nan 0.000 0.433 230 R N -0.971 119.432 120.500 -0.161 0.000 2.081 230 R HA -0.179 4.161 4.340 0.001 0.000 0.235 230 R C 2.435 178.666 176.300 -0.116 0.000 1.131 230 R CA 1.671 57.697 56.100 -0.124 0.000 0.960 230 R CB -0.367 29.879 30.300 -0.091 0.000 0.856 230 R HN 0.337 nan 8.270 nan 0.000 0.436 231 R N 0.411 120.841 120.500 -0.115 0.000 2.066 231 R HA -0.094 4.246 4.340 0.001 0.000 0.232 231 R C 2.195 178.431 176.300 -0.107 0.000 1.131 231 R CA 1.323 57.367 56.100 -0.093 0.000 0.955 231 R CB -0.390 29.863 30.300 -0.078 0.000 0.851 231 R HN 0.122 nan 8.270 nan 0.000 0.432 232 V N 0.434 120.254 119.914 -0.157 0.000 2.427 232 V HA -0.183 3.938 4.120 0.001 0.000 0.248 232 V C 2.124 178.123 176.094 -0.159 0.000 1.051 232 V CA 1.802 64.004 62.300 -0.164 0.000 1.048 232 V CB -0.108 31.578 31.823 -0.227 0.000 0.666 232 V HN 0.424 nan 8.190 nan 0.000 0.456 233 M N 0.530 120.023 119.600 -0.179 0.000 2.080 233 M HA -0.159 4.321 4.480 0.001 0.000 0.260 233 M C 1.978 178.229 176.300 -0.081 0.000 1.068 233 M CA 2.578 57.792 55.300 -0.143 0.000 1.109 233 M CB -0.630 31.884 32.600 -0.143 0.000 1.342 233 M HN 0.489 nan 8.290 nan 0.000 0.405 234 E N -0.171 119.987 120.200 -0.071 0.000 2.110 234 E HA -0.115 4.236 4.350 0.001 0.000 0.193 234 E C 1.794 178.380 176.600 -0.024 0.000 0.988 234 E CA 1.858 58.234 56.400 -0.041 0.000 0.804 234 E CB -0.460 29.215 29.700 -0.041 0.000 0.745 234 E HN 0.509 nan 8.360 nan 0.000 0.458 235 A N 0.371 123.171 122.820 -0.034 0.000 1.902 235 A HA -0.151 4.169 4.320 0.001 0.000 0.217 235 A C 1.577 179.166 177.584 0.008 0.000 1.181 235 A CA 1.989 54.017 52.037 -0.016 0.000 0.623 235 A CB -0.291 18.692 19.000 -0.029 0.000 0.818 235 A HN 0.304 nan 8.150 nan 0.000 0.443 236 D N -1.935 118.471 120.400 0.010 0.000 2.479 236 D HA 0.106 4.747 4.640 0.001 0.000 0.216 236 D C 1.581 178.013 176.300 0.221 0.000 1.110 236 D CA -0.035 54.017 54.000 0.086 0.000 0.841 236 D CB 0.128 40.957 40.800 0.049 0.000 1.040 236 D HN 0.284 nan 8.370 nan 0.000 0.505 237 L N 1.236 122.528 121.223 0.114 0.000 1.976 237 L HA -0.088 4.252 4.340 0.001 0.000 0.209 237 L C 1.958 178.943 176.870 0.192 0.000 1.071 237 L CA 1.907 56.851 54.840 0.174 0.000 0.746 237 L CB -0.849 41.248 42.059 0.062 0.000 0.890 237 L HN -0.181 nan 8.230 nan 0.000 0.432 238 S N -0.175 115.597 115.700 0.120 0.000 2.400 238 S HA -0.197 4.273 4.470 0.001 0.000 0.232 238 S C 1.939 176.608 174.600 0.116 0.000 1.025 238 S CA 1.570 59.838 58.200 0.113 0.000 0.993 238 S CB -0.715 62.538 63.200 0.088 0.000 0.808 238 S HN 0.553 nan 8.310 nan 0.000 0.478 239 L N 1.633 122.921 121.223 0.109 0.000 2.017 239 L HA -0.070 4.270 4.340 0.001 0.000 0.208 239 L C 2.374 179.278 176.870 0.057 0.000 1.073 239 L CA 1.710 56.615 54.840 0.108 0.000 0.745 239 L CB -1.019 41.069 42.059 0.047 0.000 0.894 239 L HN 0.383 nan 8.230 nan 0.000 0.432 240 G N -0.011 108.745 108.800 -0.073 0.000 2.446 240 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 240 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 240 G C 1.558 176.393 174.900 -0.108 0.000 1.168 240 G CA 1.111 45.985 45.100 -0.376 0.000 0.771 240 G HN 0.398 nan 8.290 nan 0.000 0.551 241 L N 0.491 121.742 121.223 0.046 0.000 2.093 241 L HA 0.013 4.353 4.340 0.001 0.000 0.208 241 L C 3.379 180.293 176.870 0.072 0.000 1.085 241 L CA 0.946 55.857 54.840 0.119 0.000 0.755 241 L CB -0.265 41.913 42.059 0.198 0.000 0.904 241 L HN 0.317 nan 8.230 nan 0.000 0.435 242 A N -1.142 121.724 122.820 0.077 0.000 1.930 242 A HA -0.201 4.120 4.320 0.001 0.000 0.217 242 A C 2.094 179.629 177.584 -0.082 0.000 1.175 242 A CA 1.174 53.217 52.037 0.009 0.000 0.627 242 A CB -0.747 18.270 19.000 0.029 0.000 0.815 242 A HN 0.442 nan 8.150 nan 0.000 0.443 243 H N -0.974 118.021 119.070 -0.125 0.000 2.389 243 H HA -0.118 4.438 4.556 0.001 0.000 0.299 243 H C 2.153 177.357 175.328 -0.206 0.000 1.081 243 H CA 1.541 57.500 56.048 -0.148 0.000 1.345 243 H CB 0.016 29.701 29.762 -0.127 0.000 1.393 243 H HN 0.761 nan 8.280 nan 0.000 0.520 244 E N 1.150 121.295 120.200 -0.092 0.000 2.058 244 E HA -0.169 4.182 4.350 0.001 0.000 0.194 244 E C 2.440 178.680 176.600 -0.599 0.000 0.997 244 E CA 0.996 57.272 56.400 -0.206 0.000 0.801 244 E CB 0.005 29.658 29.700 -0.079 0.000 0.746 244 E HN 0.379 nan 8.360 nan 0.000 0.450 245 A N 1.191 123.512 122.820 -0.832 0.000 1.883 245 A HA -0.171 4.149 4.320 0.001 0.000 0.217 245 A C 2.257 179.305 177.584 -0.893 0.000 1.186 245 A CA 1.322 52.438 52.037 -1.535 0.000 0.624 245 A CB -0.773 17.738 19.000 -0.817 0.000 0.822 245 A HN 0.343 nan 8.150 nan 0.000 0.444 246 L N -0.830 120.107 121.223 -0.477 0.000 1.989 246 L HA -0.257 4.083 4.340 0.001 0.000 0.211 246 L C 3.133 179.852 176.870 -0.252 0.000 1.071 246 L CA 1.338 55.995 54.840 -0.305 0.000 0.749 246 L CB -0.535 41.380 42.059 -0.240 0.000 0.890 246 L HN 0.462 nan 8.230 nan 0.000 0.431 247 A N -0.423 122.262 122.820 -0.225 0.000 1.933 247 A HA -0.147 4.174 4.320 0.001 0.000 0.218 247 A C 2.462 179.963 177.584 -0.138 0.000 1.175 247 A CA 1.678 53.633 52.037 -0.137 0.000 0.628 247 A CB -0.641 18.315 19.000 -0.074 0.000 0.814 247 A HN 0.441 nan 8.150 nan 0.000 0.444 248 A N -0.194 122.489 122.820 -0.228 0.000 1.898 248 A HA -0.003 4.318 4.320 0.001 0.000 0.216 248 A C 2.055 179.614 177.584 -0.041 0.000 1.181 248 A CA 1.369 53.350 52.037 -0.094 0.000 0.620 248 A CB -0.539 18.446 19.000 -0.026 0.000 0.819 248 A HN 0.468 nan 8.150 nan 0.000 0.442 249 I N -0.298 120.186 120.570 -0.143 0.000 2.493 249 I HA -0.214 3.957 4.170 0.001 0.000 0.254 249 I C 2.020 178.117 176.117 -0.034 0.000 1.160 249 I CA 1.521 62.795 61.300 -0.044 0.000 1.445 249 I CB -0.256 37.693 38.000 -0.086 0.000 1.086 249 I HN 0.280 nan 8.210 nan 0.000 0.433 250 D N 0.783 121.147 120.400 -0.061 0.000 2.178 250 D HA -0.139 4.501 4.640 0.001 0.000 0.201 250 D C 2.257 178.541 176.300 -0.026 0.000 0.980 250 D CA 1.014 54.989 54.000 -0.042 0.000 0.842 250 D CB 0.040 40.809 40.800 -0.052 0.000 0.948 250 D HN 0.223 nan 8.370 nan 0.000 0.472 251 L N -0.243 120.967 121.223 -0.023 0.000 1.990 251 L HA -0.025 4.315 4.340 0.001 0.000 0.213 251 L C 1.753 178.617 176.870 -0.009 0.000 1.072 251 L CA 1.193 56.022 54.840 -0.018 0.000 0.755 251 L CB -1.094 40.956 42.059 -0.015 0.000 0.889 251 L HN 0.073 nan 8.230 nan 0.000 0.432 252 G N 0.000 108.804 108.800 0.007 0.000 5.446 252 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 252 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 252 G CA 0.000 45.107 45.100 0.011 0.000 0.502 252 G HN 0.000 nan 8.290 nan 0.000 0.925