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 2gd2_1_B DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.540 177.584 -0.074 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 3 G N 0.591 109.331 108.800 -0.100 0.000 2.570 3 G HA2 0.432 4.392 3.960 -0.000 0.000 0.276 3 G HA3 0.432 4.392 3.960 -0.000 0.000 0.276 3 G C -0.728 174.020 174.900 -0.253 0.000 1.346 3 G CA -0.127 44.864 45.100 -0.182 0.000 1.034 3 G HN 0.050 nan 8.290 nan 0.000 0.512 4 P HA -0.002 nan 4.420 nan 0.000 0.229 4 P C 1.358 178.508 177.300 -0.250 0.000 1.160 4 P CA 0.775 63.630 63.100 -0.408 0.000 0.777 4 P CB 0.197 31.458 31.700 -0.731 0.000 0.814 5 L N -0.595 120.496 121.223 -0.221 0.000 2.629 5 L HA 0.145 4.485 4.340 -0.000 0.000 0.230 5 L C 1.203 178.017 176.870 -0.094 0.000 1.151 5 L CA -0.211 54.551 54.840 -0.130 0.000 0.924 5 L CB -0.465 41.530 42.059 -0.107 0.000 1.137 5 L HN -0.074 nan 8.230 nan 0.000 0.457 6 S N 0.467 116.109 115.700 -0.097 0.000 2.575 6 S HA 0.219 4.689 4.470 -0.000 0.000 0.295 6 S C 1.334 175.898 174.600 -0.060 0.000 1.267 6 S CA 0.987 59.148 58.200 -0.066 0.000 1.074 6 S CB 0.365 63.526 63.200 -0.064 0.000 0.829 6 S HN 0.694 nan 8.310 nan 0.000 0.497 7 G N 3.119 111.889 108.800 -0.049 0.000 2.254 7 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.225 7 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.225 7 G C -0.030 174.815 174.900 -0.092 0.000 1.003 7 G CA 0.058 45.119 45.100 -0.065 0.000 0.622 7 G HN 0.983 nan 8.290 nan 0.000 0.507 8 L N 2.439 123.615 121.223 -0.078 0.000 2.360 8 L HA 0.651 4.990 4.340 -0.000 0.000 0.276 8 L C 0.720 177.534 176.870 -0.094 0.000 1.121 8 L CA -0.265 54.521 54.840 -0.089 0.000 0.845 8 L CB 0.367 42.389 42.059 -0.061 0.000 1.143 8 L HN 0.272 nan 8.230 nan 0.000 0.452 9 R N 4.131 124.518 120.500 -0.188 0.000 2.265 9 R HA 0.656 4.996 4.340 -0.000 0.000 0.319 9 R C -1.309 174.939 176.300 -0.087 0.000 1.006 9 R CA -0.707 55.244 56.100 -0.248 0.000 0.880 9 R CB 1.553 31.340 30.300 -0.854 0.000 1.077 9 R HN 0.455 nan 8.270 nan 0.000 0.454 10 V N 3.920 123.908 119.914 0.122 0.000 2.525 10 V HA 0.273 4.393 4.120 -0.000 0.000 0.299 10 V C -0.355 175.871 176.094 0.220 0.000 1.034 10 V CA -0.900 61.470 62.300 0.116 0.000 0.863 10 V CB 2.119 33.983 31.823 0.067 0.000 0.999 10 V HN 0.451 nan 8.190 nan 0.000 0.423 11 V N 4.191 124.201 119.914 0.161 0.000 2.407 11 V HA 0.437 4.557 4.120 -0.000 0.000 0.278 11 V C 0.097 176.209 176.094 0.031 0.000 1.037 11 V CA -0.353 62.021 62.300 0.124 0.000 0.900 11 V CB 1.605 33.505 31.823 0.129 0.000 0.983 11 V HN 0.957 nan 8.190 nan 0.000 0.459 12 E N 5.351 125.563 120.200 0.020 0.000 2.165 12 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 12 E C -1.354 175.241 176.600 -0.008 0.000 0.889 12 E CA -0.689 55.704 56.400 -0.011 0.000 0.756 12 E CB 1.399 31.099 29.700 0.000 0.000 1.131 12 E HN 0.630 nan 8.360 nan 0.000 0.411 13 L N 3.696 124.898 121.223 -0.035 0.000 2.260 13 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 13 L C 0.476 177.339 176.870 -0.011 0.000 1.057 13 L CA -0.729 54.125 54.840 0.023 0.000 0.811 13 L CB 1.145 43.252 42.059 0.081 0.000 1.184 13 L HN 0.635 nan 8.230 nan 0.000 0.429 14 A N 3.433 126.298 122.820 0.076 0.000 2.553 14 A HA 0.436 4.756 4.320 -0.000 0.000 0.258 14 A C 0.686 178.313 177.584 0.071 0.000 1.069 14 A CA 0.751 52.828 52.037 0.066 0.000 0.767 14 A CB -0.221 18.832 19.000 0.090 0.000 0.997 14 A HN 0.890 nan 8.150 nan 0.000 0.512 15 G N 0.961 109.752 108.800 -0.014 0.000 3.247 15 G HA2 0.647 4.607 3.960 -0.000 0.000 0.226 15 G HA3 0.647 4.607 3.960 -0.000 0.000 0.226 15 G C -0.788 174.139 174.900 0.044 0.000 1.220 15 G CA -0.704 44.388 45.100 -0.013 0.000 0.875 15 G HN 0.677 nan 8.290 nan 0.000 0.606 16 I N -0.494 120.105 120.570 0.049 0.000 2.828 16 I HA 0.598 4.768 4.170 -0.000 0.000 0.302 16 I C 0.953 177.121 176.117 0.085 0.000 1.101 16 I CA 0.528 61.880 61.300 0.086 0.000 1.031 16 I CB 2.152 40.220 38.000 0.112 0.000 1.231 16 I HN 1.153 nan 8.210 nan 0.000 0.427 17 G N 5.190 114.069 108.800 0.130 0.000 2.559 17 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.282 17 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.282 17 G C -1.728 173.288 174.900 0.193 0.000 1.177 17 G CA 0.238 45.409 45.100 0.119 0.000 0.960 17 G HN 0.466 nan 8.290 nan 0.000 0.540 18 P HA -0.047 nan 4.420 nan 0.000 0.215 18 P C 2.075 179.486 177.300 0.185 0.000 1.153 18 P CA 2.891 66.074 63.100 0.140 0.000 0.853 18 P CB -0.797 30.905 31.700 0.003 0.000 0.788 19 G N 1.432 110.280 108.800 0.081 0.000 2.459 19 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 19 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 19 G C -0.614 174.331 174.900 0.075 0.000 1.183 19 G CA 1.300 46.423 45.100 0.040 0.000 0.776 19 G HN 0.301 nan 8.290 nan 0.000 0.552 20 P HA -0.072 nan 4.420 nan 0.000 0.221 20 P C 1.149 178.528 177.300 0.131 0.000 1.150 20 P CA 1.448 64.606 63.100 0.098 0.000 0.800 20 P CB -0.083 31.679 31.700 0.104 0.000 0.787 21 H N 0.602 119.740 119.070 0.113 0.000 2.333 21 H HA 0.087 4.643 4.556 -0.000 0.000 0.302 21 H C 1.971 177.337 175.328 0.062 0.000 1.075 21 H CA 1.906 58.003 56.048 0.081 0.000 1.348 21 H CB -0.579 29.286 29.762 0.170 0.000 1.393 21 H HN -0.029 nan 8.280 nan 0.000 0.509 22 A N 0.973 123.866 122.820 0.121 0.000 1.877 22 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 22 A C 2.594 180.166 177.584 -0.020 0.000 1.186 22 A CA 1.841 53.898 52.037 0.033 0.000 0.620 22 A CB -1.427 17.620 19.000 0.080 0.000 0.822 22 A HN 0.614 nan 8.150 nan 0.000 0.443 23 A N -0.786 122.036 122.820 0.003 0.000 1.933 23 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 23 A C 2.265 179.832 177.584 -0.027 0.000 1.175 23 A CA 1.881 53.915 52.037 -0.006 0.000 0.628 23 A CB -0.554 18.450 19.000 0.007 0.000 0.814 23 A HN 0.620 nan 8.150 nan 0.000 0.444 24 M N -0.398 119.173 119.600 -0.049 0.000 2.080 24 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 24 M C 1.993 178.234 176.300 -0.098 0.000 1.068 24 M CA 2.015 57.272 55.300 -0.071 0.000 1.109 24 M CB -0.354 32.192 32.600 -0.091 0.000 1.342 24 M HN 0.451 nan 8.290 nan 0.000 0.405 25 I N 0.437 120.911 120.570 -0.160 0.000 2.179 25 I HA -0.350 3.820 4.170 -0.000 0.000 0.242 25 I C 2.278 178.357 176.117 -0.064 0.000 1.088 25 I CA 1.196 62.418 61.300 -0.130 0.000 1.357 25 I CB -0.513 37.385 38.000 -0.171 0.000 1.051 25 I HN 0.365 nan 8.210 nan 0.000 0.409 26 L N 0.488 121.681 121.223 -0.049 0.000 2.013 26 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 26 L C 2.687 179.538 176.870 -0.031 0.000 1.073 26 L CA 1.844 56.665 54.840 -0.032 0.000 0.753 26 L CB -1.307 40.741 42.059 -0.018 0.000 0.890 26 L HN 0.356 nan 8.230 nan 0.000 0.432 27 G N -0.800 107.984 108.800 -0.026 0.000 2.408 27 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 27 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 27 G C 1.111 175.993 174.900 -0.030 0.000 1.150 27 G CA 0.738 45.827 45.100 -0.018 0.000 0.776 27 G HN 0.282 nan 8.290 nan 0.000 0.542 28 D N 0.707 121.085 120.400 -0.037 0.000 2.116 28 D HA -0.098 4.541 4.640 -0.000 0.000 0.193 28 D C 2.384 178.664 176.300 -0.034 0.000 0.998 28 D CA 0.664 54.642 54.000 -0.037 0.000 0.836 28 D CB -0.260 40.519 40.800 -0.035 0.000 0.951 28 D HN 0.269 nan 8.370 nan 0.000 0.449 29 L N -1.146 120.054 121.223 -0.038 0.000 2.599 29 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 29 L C 1.495 178.298 176.870 -0.112 0.000 1.141 29 L CA 0.682 55.475 54.840 -0.078 0.000 0.877 29 L CB -0.171 41.834 42.059 -0.090 0.000 1.009 29 L HN 0.220 nan 8.230 nan 0.000 0.447 30 G N -0.476 108.281 108.800 -0.072 0.000 2.229 30 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.189 30 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.189 30 G C 0.449 175.325 174.900 -0.040 0.000 1.000 30 G CA -0.140 44.922 45.100 -0.064 0.000 0.663 30 G HN 0.440 nan 8.290 nan 0.000 0.493 31 A N 0.266 123.066 122.820 -0.034 0.000 2.466 31 A HA 0.487 4.807 4.320 -0.000 0.000 0.238 31 A C 0.244 177.847 177.584 0.031 0.000 1.074 31 A CA 0.772 52.803 52.037 -0.009 0.000 0.774 31 A CB 0.341 19.336 19.000 -0.009 0.000 1.015 31 A HN 0.403 nan 8.150 nan 0.000 0.498 32 D N 1.510 121.955 120.400 0.074 0.000 2.441 32 D HA 0.389 5.029 4.640 -0.000 0.000 0.221 32 D C -0.878 175.561 176.300 0.232 0.000 1.156 32 D CA 0.046 54.147 54.000 0.168 0.000 0.896 32 D CB 0.343 41.297 40.800 0.256 0.000 1.028 32 D HN 0.104 nan 8.370 nan 0.000 0.509 33 V N 4.245 124.244 119.914 0.142 0.000 2.370 33 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 33 V C 0.192 176.327 176.094 0.068 0.000 1.023 33 V CA -0.874 61.496 62.300 0.116 0.000 0.857 33 V CB 1.777 33.633 31.823 0.055 0.000 0.985 33 V HN 0.284 nan 8.190 nan 0.000 0.443 34 V N 5.766 125.719 119.914 0.065 0.000 2.378 34 V HA 0.486 4.606 4.120 -0.000 0.000 0.288 34 V C 0.133 176.216 176.094 -0.019 0.000 1.016 34 V CA -0.684 61.584 62.300 -0.054 0.000 0.840 34 V CB 1.571 33.246 31.823 -0.246 0.000 0.994 34 V HN 0.872 nan 8.190 nan 0.000 0.431 35 R N 5.175 125.660 120.500 -0.025 0.000 2.294 35 R HA 0.620 4.960 4.340 -0.000 0.000 0.319 35 R C -0.962 175.333 176.300 -0.008 0.000 0.984 35 R CA -0.504 55.593 56.100 -0.005 0.000 0.861 35 R CB 0.879 31.180 30.300 0.002 0.000 1.104 35 R HN 0.696 nan 8.270 nan 0.000 0.451 36 I N 4.070 124.646 120.570 0.010 0.000 2.312 36 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 36 I C -0.051 176.091 176.117 0.042 0.000 1.008 36 I CA -0.419 60.892 61.300 0.018 0.000 1.226 36 I CB 1.352 39.370 38.000 0.029 0.000 1.371 36 I HN 0.572 nan 8.210 nan 0.000 0.468 37 D N 5.531 125.950 120.400 0.032 0.000 2.449 37 D HA 0.420 5.060 4.640 -0.000 0.000 0.250 37 D C -0.203 176.119 176.300 0.036 0.000 1.050 37 D CA -0.698 53.329 54.000 0.045 0.000 1.024 37 D CB 1.664 42.485 40.800 0.035 0.000 1.218 37 D HN 0.324 nan 8.370 nan 0.000 0.566 38 R N 1.091 121.614 120.500 0.038 0.000 2.543 38 R HA 0.342 4.682 4.340 -0.000 0.000 0.277 38 R C -1.795 174.514 176.300 0.015 0.000 1.074 38 R CA -0.966 55.147 56.100 0.022 0.000 1.076 38 R CB -0.073 30.239 30.300 0.019 0.000 0.993 38 R HN 0.240 nan 8.270 nan 0.000 0.459 46 S N 5.100 120.801 115.700 0.002 0.000 2.560 46 S HA 0.284 4.753 4.470 -0.000 0.000 0.284 46 S C 1.048 175.650 174.600 0.002 0.000 1.327 46 S CA 0.156 58.359 58.200 0.005 0.000 1.055 46 S CB 0.716 63.922 63.200 0.010 0.000 0.868 46 S HN 0.716 nan 8.310 nan 0.000 0.506 47 R N 1.372 121.872 120.500 0.001 0.000 2.334 47 R HA 0.136 4.476 4.340 -0.000 0.000 0.220 47 R C -0.463 175.835 176.300 -0.003 0.000 0.917 47 R CA -0.033 56.064 56.100 -0.005 0.000 1.073 47 R CB 0.150 30.445 30.300 -0.009 0.000 1.056 47 R HN 0.550 nan 8.270 nan 0.000 0.506 48 D N 0.161 120.565 120.400 0.006 0.000 2.380 48 D HA 0.132 4.772 4.640 -0.000 0.000 0.230 48 D C 0.764 177.073 176.300 0.016 0.000 1.154 48 D CA -0.230 53.777 54.000 0.012 0.000 0.859 48 D CB 1.423 42.236 40.800 0.022 0.000 1.045 48 D HN 0.109 nan 8.370 nan 0.000 0.495 49 A N 4.515 127.341 122.820 0.010 0.000 2.125 49 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 49 A C 2.055 179.662 177.584 0.038 0.000 1.156 49 A CA 0.920 52.971 52.037 0.024 0.000 0.671 49 A CB -0.540 18.465 19.000 0.008 0.000 0.794 49 A HN 0.737 nan 8.150 nan 0.000 0.459 50 M N -0.487 119.133 119.600 0.033 0.000 2.213 50 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 50 M C 0.762 177.084 176.300 0.037 0.000 1.062 50 M CA 1.399 56.724 55.300 0.040 0.000 1.105 50 M CB -0.206 32.428 32.600 0.057 0.000 1.385 50 M HN 0.366 nan 8.290 nan 0.000 0.417 51 L N 1.663 122.907 121.223 0.034 0.000 2.682 51 L HA 0.093 4.433 4.340 -0.000 0.000 0.240 51 L C 0.833 177.717 176.870 0.024 0.000 1.178 51 L CA -0.414 54.443 54.840 0.028 0.000 0.970 51 L CB -1.196 40.878 42.059 0.025 0.000 1.179 51 L HN 0.345 nan 8.230 nan 0.000 0.435 52 R N -0.363 120.156 120.500 0.032 0.000 2.784 52 R HA 0.018 4.358 4.340 -0.000 0.000 0.266 52 R C -0.043 176.266 176.300 0.016 0.000 1.044 52 R CA -0.366 55.755 56.100 0.035 0.000 1.151 52 R CB 0.112 30.453 30.300 0.067 0.000 1.037 52 R HN 0.120 nan 8.270 nan 0.000 0.478 53 N N 0.496 119.201 118.700 0.008 0.000 2.758 53 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 53 N C -1.222 174.290 175.510 0.003 0.000 1.076 53 N CA 1.052 54.101 53.050 -0.001 0.000 0.696 53 N CB -0.457 38.023 38.487 -0.010 0.000 0.979 53 N HN 0.617 nan 8.380 nan 0.000 0.550 54 R N 0.081 120.582 120.500 0.002 0.000 2.888 54 R HA 0.540 4.880 4.340 -0.000 0.000 0.264 54 R C 0.306 176.598 176.300 -0.014 0.000 1.045 54 R CA -0.673 55.427 56.100 -0.001 0.000 0.962 54 R CB 1.304 31.603 30.300 -0.001 0.000 1.210 54 R HN 0.070 nan 8.270 nan 0.000 0.479 55 R N 0.779 121.260 120.500 -0.031 0.000 2.445 55 R HA 0.510 4.850 4.340 -0.000 0.000 0.308 55 R C -0.288 175.979 176.300 -0.056 0.000 0.961 55 R CA -0.779 55.287 56.100 -0.056 0.000 0.862 55 R CB 1.295 31.535 30.300 -0.099 0.000 1.144 55 R HN 0.331 nan 8.270 nan 0.000 0.447 56 I N 4.727 125.269 120.570 -0.045 0.000 2.359 56 I HA 0.305 4.475 4.170 -0.000 0.000 0.294 56 I C 0.415 176.503 176.117 -0.047 0.000 0.987 56 I CA -0.586 60.693 61.300 -0.036 0.000 1.225 56 I CB 1.232 39.221 38.000 -0.018 0.000 1.366 56 I HN 0.381 nan 8.210 nan 0.000 0.466 57 V N 2.643 122.528 119.914 -0.048 0.000 3.126 57 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 57 V C -0.404 175.674 176.094 -0.025 0.000 1.138 57 V CA -0.535 61.736 62.300 -0.048 0.000 1.034 57 V CB 2.069 33.849 31.823 -0.072 0.000 1.075 57 V HN 0.783 nan 8.190 nan 0.000 0.442 58 T N 0.469 115.011 114.554 -0.021 0.000 2.893 58 T HA 0.874 5.224 4.350 -0.000 0.000 0.291 58 T C -0.718 173.978 174.700 -0.007 0.000 1.028 58 T CA 0.228 62.323 62.100 -0.007 0.000 0.995 58 T CB 1.377 70.242 68.868 -0.005 0.000 1.051 58 T HN 2.077 nan 8.240 nan 0.000 0.470 59 A N 2.859 125.680 122.820 0.002 0.000 2.540 59 A HA 0.546 4.866 4.320 -0.000 0.000 0.297 59 A C -1.296 176.292 177.584 0.006 0.000 1.056 59 A CA -0.731 51.308 52.037 0.003 0.000 0.700 59 A CB 1.599 20.602 19.000 0.005 0.000 1.280 59 A HN 0.738 nan 8.150 nan 0.000 0.398 60 D N 2.707 123.109 120.400 0.002 0.000 2.383 60 D HA 0.263 4.902 4.640 -0.000 0.000 0.245 60 D C 0.942 177.242 176.300 0.001 0.000 1.263 60 D CA -0.113 53.887 54.000 -0.000 0.000 0.936 60 D CB 0.085 40.883 40.800 -0.002 0.000 1.053 60 D HN 0.439 nan 8.370 nan 0.000 0.507 61 L N 2.882 124.106 121.223 0.000 0.000 2.353 61 L HA -0.102 4.237 4.340 -0.000 0.000 0.220 61 L C 2.072 178.942 176.870 -0.001 0.000 1.133 61 L CA 0.800 55.642 54.840 0.004 0.000 0.798 61 L CB -0.128 41.935 42.059 0.007 0.000 0.922 61 L HN 0.304 nan 8.230 nan 0.000 0.445 62 K N -0.191 120.203 120.400 -0.010 0.000 2.426 62 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 62 K C 1.053 177.651 176.600 -0.003 0.000 1.028 62 K CA 0.135 56.416 56.287 -0.009 0.000 1.047 62 K CB 0.205 32.695 32.500 -0.017 0.000 0.821 62 K HN 0.317 nan 8.250 nan 0.000 0.513 63 S N 0.442 116.142 115.700 -0.000 0.000 2.632 63 S HA 0.108 4.577 4.470 -0.000 0.000 0.271 63 S C 0.538 175.141 174.600 0.006 0.000 1.260 63 S CA -0.773 57.428 58.200 0.002 0.000 1.010 63 S CB 1.431 64.632 63.200 0.001 0.000 0.965 63 S HN -0.057 nan 8.310 nan 0.000 0.534 64 D N 0.727 121.130 120.400 0.006 0.000 2.097 64 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 64 D C 1.875 178.181 176.300 0.009 0.000 0.989 64 D CA 1.530 55.535 54.000 0.008 0.000 0.827 64 D CB -0.348 40.456 40.800 0.007 0.000 0.966 64 D HN 0.790 nan 8.370 nan 0.000 0.456 65 Q N 0.225 120.029 119.800 0.007 0.000 2.079 65 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 65 Q C 2.130 178.135 176.000 0.008 0.000 0.974 65 Q CA 1.662 57.469 55.803 0.007 0.000 0.840 65 Q CB -0.281 28.459 28.738 0.004 0.000 0.898 65 Q HN 0.283 nan 8.270 nan 0.000 0.430 66 G N 1.307 110.112 108.800 0.008 0.000 2.418 66 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 66 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 66 G C 1.351 176.261 174.900 0.016 0.000 1.158 66 G CA 0.865 45.970 45.100 0.009 0.000 0.771 66 G HN 0.383 nan 8.290 nan 0.000 0.545 67 L N 0.832 122.066 121.223 0.018 0.000 2.017 67 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 67 L C 2.616 179.503 176.870 0.029 0.000 1.073 67 L CA 2.748 57.604 54.840 0.026 0.000 0.745 67 L CB -0.844 41.229 42.059 0.025 0.000 0.894 67 L HN 0.453 nan 8.230 nan 0.000 0.432 68 E N -0.594 119.620 120.200 0.024 0.000 2.070 68 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 68 E C 2.211 178.827 176.600 0.027 0.000 1.004 68 E CA 1.933 58.348 56.400 0.025 0.000 0.805 68 E CB -0.281 29.430 29.700 0.019 0.000 0.744 68 E HN 0.615 nan 8.360 nan 0.000 0.451 69 L N 0.135 121.371 121.223 0.022 0.000 2.056 69 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 69 L C 2.676 179.563 176.870 0.027 0.000 1.078 69 L CA 0.895 55.746 54.840 0.019 0.000 0.749 69 L CB -0.455 41.608 42.059 0.006 0.000 0.901 69 L HN 0.241 nan 8.230 nan 0.000 0.433 70 A N 0.228 123.067 122.820 0.031 0.000 1.883 70 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 70 A C 2.244 179.865 177.584 0.062 0.000 1.186 70 A CA 1.528 53.591 52.037 0.044 0.000 0.624 70 A CB -0.770 18.258 19.000 0.047 0.000 0.822 70 A HN 0.353 nan 8.150 nan 0.000 0.444 71 L N -0.813 120.446 121.223 0.060 0.000 2.083 71 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 71 L C 2.608 179.522 176.870 0.073 0.000 1.083 71 L CA 1.629 56.509 54.840 0.068 0.000 0.752 71 L CB -0.399 41.695 42.059 0.058 0.000 0.899 71 L HN 0.386 nan 8.230 nan 0.000 0.433 72 K N -0.408 120.032 120.400 0.066 0.000 2.057 72 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 72 K C 2.041 178.711 176.600 0.117 0.000 1.049 72 K CA 1.163 57.494 56.287 0.075 0.000 0.931 72 K CB -0.193 32.342 32.500 0.058 0.000 0.714 72 K HN 0.081 nan 8.250 nan 0.000 0.440 73 L N 1.358 122.655 121.223 0.124 0.000 2.005 73 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 73 L C 2.035 179.065 176.870 0.266 0.000 1.072 73 L CA 1.475 56.440 54.840 0.208 0.000 0.744 73 L CB -0.318 41.807 42.059 0.110 0.000 0.895 73 L HN 0.132 nan 8.230 nan 0.000 0.433 74 I N -0.703 119.966 120.570 0.165 0.000 2.264 74 I HA -0.324 3.845 4.170 -0.000 0.000 0.248 74 I C 2.464 178.639 176.117 0.097 0.000 1.111 74 I CA 1.163 62.540 61.300 0.128 0.000 1.382 74 I CB -0.564 37.493 38.000 0.096 0.000 1.060 74 I HN 0.301 nan 8.210 nan 0.000 0.418 75 A N 0.196 123.071 122.820 0.092 0.000 2.076 75 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 75 A C 2.024 179.630 177.584 0.037 0.000 1.160 75 A CA 1.556 53.630 52.037 0.061 0.000 0.653 75 A CB -0.202 18.834 19.000 0.059 0.000 0.801 75 A HN 0.238 nan 8.150 nan 0.000 0.455 76 K N -0.839 119.597 120.400 0.059 0.000 2.358 76 K HA 0.405 4.725 4.320 -0.000 0.000 0.200 76 K C 0.535 176.982 176.600 -0.255 0.000 1.030 76 K CA 0.630 56.893 56.287 -0.039 0.000 1.097 76 K CB -0.016 32.533 32.500 0.081 0.000 0.862 76 K HN 0.406 nan 8.250 nan 0.000 0.534 77 A N 1.175 123.904 122.820 -0.152 0.000 2.286 77 A HA 0.249 4.569 4.320 -0.000 0.000 0.286 77 A C 0.490 177.974 177.584 -0.167 0.000 1.097 77 A CA -0.309 51.591 52.037 -0.229 0.000 0.821 77 A CB 0.565 19.561 19.000 -0.006 0.000 1.076 77 A HN 0.022 nan 8.150 nan 0.000 0.490 78 D N -0.531 119.767 120.400 -0.170 0.000 2.262 78 D HA 0.131 4.771 4.640 -0.000 0.000 0.212 78 D C 0.006 176.277 176.300 -0.048 0.000 0.964 78 D CA 1.335 55.275 54.000 -0.100 0.000 0.875 78 D CB 0.434 41.171 40.800 -0.105 0.000 0.996 78 D HN 0.226 nan 8.370 nan 0.000 0.497 79 V N 1.291 121.180 119.914 -0.041 0.000 2.876 79 V HA 0.391 4.511 4.120 -0.000 0.000 0.312 79 V C -0.938 175.136 176.094 -0.034 0.000 1.085 79 V CA -0.962 61.324 62.300 -0.024 0.000 0.945 79 V CB 2.920 34.733 31.823 -0.017 0.000 1.017 79 V HN -0.063 nan 8.190 nan 0.000 0.428 80 L N 4.875 126.044 121.223 -0.090 0.000 2.385 80 L HA 0.723 5.063 4.340 -0.000 0.000 0.273 80 L C -1.026 175.712 176.870 -0.219 0.000 0.990 80 L CA 0.056 54.794 54.840 -0.170 0.000 0.821 80 L CB 1.508 43.385 42.059 -0.302 0.000 1.279 80 L HN 0.581 nan 8.230 nan 0.000 0.412 81 I N 4.187 124.662 120.570 -0.159 0.000 2.404 81 I HA 0.533 4.703 4.170 -0.000 0.000 0.293 81 I C -0.872 175.134 176.117 -0.186 0.000 0.992 81 I CA -0.470 60.742 61.300 -0.146 0.000 1.149 81 I CB 1.908 39.863 38.000 -0.076 0.000 1.315 81 I HN 0.744 nan 8.210 nan 0.000 0.446 82 E N 4.048 124.125 120.200 -0.205 0.000 2.314 82 E HA 0.683 5.033 4.350 -0.000 0.000 0.272 82 E C -0.452 175.986 176.600 -0.271 0.000 0.884 82 E CA -0.893 55.346 56.400 -0.269 0.000 0.753 82 E CB 1.855 31.462 29.700 -0.154 0.000 1.213 82 E HN 0.568 nan 8.360 nan 0.000 0.432 83 G N 1.884 110.390 108.800 -0.490 0.000 4.543 83 G HA2 0.243 4.203 3.960 -0.000 0.000 0.286 83 G HA3 0.243 4.203 3.960 -0.000 0.000 0.286 83 G C -0.991 173.743 174.900 -0.277 0.000 1.112 83 G CA -0.343 44.573 45.100 -0.307 0.000 0.870 83 G HN 0.376 nan 8.290 nan 0.000 0.540 84 Y N 0.203 120.522 120.300 0.031 0.000 2.392 84 Y HA 0.508 5.058 4.550 -0.000 0.000 0.323 84 Y C 1.214 177.137 175.900 0.039 0.000 1.291 84 Y CA -1.192 56.929 58.100 0.035 0.000 1.345 84 Y CB 0.911 39.397 38.460 0.043 0.000 1.320 84 Y HN -0.056 nan 8.280 nan 0.000 0.518 85 R N 1.632 122.265 120.500 0.221 0.000 2.619 85 R HA -0.028 4.312 4.340 -0.000 0.000 0.268 85 R C -2.552 173.833 176.300 0.141 0.000 0.990 85 R CA -1.045 55.144 56.100 0.148 0.000 1.092 85 R CB -0.475 29.898 30.300 0.121 0.000 0.935 85 R HN 0.260 nan 8.270 nan 0.000 0.415 86 P HA -0.074 nan 4.420 nan 0.000 0.261 86 P C 0.534 177.885 177.300 0.084 0.000 1.173 86 P CA 1.331 64.487 63.100 0.095 0.000 0.760 86 P CB 0.654 32.399 31.700 0.075 0.000 0.783 87 G N 1.298 110.147 108.800 0.082 0.000 2.232 87 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 87 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 87 G C 0.988 175.927 174.900 0.066 0.000 0.996 87 G CA 0.145 45.282 45.100 0.061 0.000 0.626 87 G HN 0.384 nan 8.290 nan 0.000 0.509 88 V N 2.014 121.982 119.914 0.090 0.000 2.270 88 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 88 V C 3.250 179.386 176.094 0.071 0.000 1.043 88 V CA 3.553 65.889 62.300 0.059 0.000 1.014 88 V CB -1.123 30.731 31.823 0.051 0.000 0.645 88 V HN 0.879 nan 8.190 nan 0.000 0.447 89 T N -1.663 112.987 114.554 0.160 0.000 2.788 89 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 89 T C 1.639 176.411 174.700 0.120 0.000 1.044 89 T CA 1.659 63.864 62.100 0.175 0.000 1.139 89 T CB -0.392 68.652 68.868 0.293 0.000 0.867 89 T HN 0.447 nan 8.240 nan 0.000 0.454 90 E N 1.311 121.567 120.200 0.093 0.000 2.049 90 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 90 E C 2.509 179.133 176.600 0.040 0.000 1.007 90 E CA 1.299 57.730 56.400 0.052 0.000 0.809 90 E CB -0.305 29.413 29.700 0.031 0.000 0.749 90 E HN 0.477 nan 8.360 nan 0.000 0.450 91 R N -0.069 120.451 120.500 0.033 0.000 2.117 91 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 91 R C 2.228 178.538 176.300 0.017 0.000 1.143 91 R CA 1.135 57.246 56.100 0.019 0.000 0.968 91 R CB -0.343 29.962 30.300 0.009 0.000 0.863 91 R HN 0.220 nan 8.270 nan 0.000 0.444 92 L N -1.025 120.212 121.223 0.024 0.000 2.395 92 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 92 L C 1.212 178.103 176.870 0.035 0.000 1.130 92 L CA 0.735 55.588 54.840 0.022 0.000 0.826 92 L CB 0.026 42.098 42.059 0.023 0.000 0.941 92 L HN 0.545 nan 8.230 nan 0.000 0.451 93 G N 0.084 108.910 108.800 0.044 0.000 2.132 93 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.234 93 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.234 93 G C 0.403 175.346 174.900 0.071 0.000 0.989 93 G CA -0.025 45.103 45.100 0.047 0.000 0.676 93 G HN 0.303 nan 8.290 nan 0.000 0.522 94 L N 0.702 121.985 121.223 0.100 0.000 3.168 94 L HA 0.414 4.754 4.340 -0.000 0.000 0.277 94 L C 1.626 178.640 176.870 0.239 0.000 1.245 94 L CA -0.049 54.883 54.840 0.155 0.000 1.035 94 L CB 0.411 42.560 42.059 0.150 0.000 1.399 94 L HN 0.316 nan 8.230 nan 0.000 0.580 95 G N 0.458 109.343 108.800 0.142 0.000 2.634 95 G HA2 0.185 4.145 3.960 -0.000 0.000 0.255 95 G HA3 0.185 4.145 3.960 -0.000 0.000 0.255 95 G C -1.800 173.047 174.900 -0.089 0.000 1.205 95 G CA -0.759 44.373 45.100 0.054 0.000 0.884 95 G HN -0.022 nan 8.290 nan 0.000 0.549 96 P HA -0.084 nan 4.420 nan 0.000 0.216 96 P C 1.453 178.630 177.300 -0.205 0.000 1.150 96 P CA 1.267 63.977 63.100 -0.649 0.000 0.837 96 P CB 0.268 31.495 31.700 -0.789 0.000 0.786 97 E N -0.588 119.529 120.200 -0.137 0.000 2.106 97 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 97 E C 1.948 178.536 176.600 -0.019 0.000 0.984 97 E CA 0.736 57.098 56.400 -0.062 0.000 0.806 97 E CB -0.278 29.393 29.700 -0.049 0.000 0.750 97 E HN 0.267 nan 8.360 nan 0.000 0.458 98 E N 0.150 120.351 120.200 0.001 0.000 2.107 98 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 98 E C 2.164 178.797 176.600 0.055 0.000 0.982 98 E CA 0.606 57.025 56.400 0.032 0.000 0.809 98 E CB -0.276 29.452 29.700 0.047 0.000 0.756 98 E HN 0.295 nan 8.360 nan 0.000 0.459 99 C N 0.764 120.116 119.300 0.087 0.000 2.435 99 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 99 C C 2.788 177.828 174.990 0.083 0.000 1.321 99 C CA 0.554 59.647 59.018 0.125 0.000 1.752 99 C CB -0.961 26.931 27.740 0.253 0.000 1.959 99 C HN 0.447 nan 8.230 nan 0.000 0.500 100 A N 1.060 123.910 122.820 0.050 0.000 1.940 100 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 100 A C 2.138 179.737 177.584 0.024 0.000 1.176 100 A CA 1.609 53.663 52.037 0.029 0.000 0.631 100 A CB -0.450 18.552 19.000 0.004 0.000 0.814 100 A HN 0.714 nan 8.150 nan 0.000 0.446 101 K N -0.354 120.060 120.400 0.024 0.000 2.147 101 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 101 K C 1.712 178.326 176.600 0.024 0.000 1.049 101 K CA 1.695 57.995 56.287 0.020 0.000 0.936 101 K CB -0.350 32.162 32.500 0.020 0.000 0.722 101 K HN 0.609 nan 8.250 nan 0.000 0.446 102 V N -2.640 117.295 119.914 0.035 0.000 3.644 102 V HA 0.151 4.271 4.120 -0.000 0.000 0.267 102 V C 0.217 176.330 176.094 0.032 0.000 1.277 102 V CA 0.077 62.398 62.300 0.035 0.000 1.096 102 V CB -0.326 31.524 31.823 0.045 0.000 0.828 102 V HN 0.277 nan 8.190 nan 0.000 0.446 103 N N 1.115 119.836 118.700 0.034 0.000 3.112 103 N HA 0.092 4.832 4.740 -0.000 0.000 0.231 103 N C -0.376 175.152 175.510 0.030 0.000 1.385 103 N CA 0.433 53.499 53.050 0.028 0.000 0.790 103 N CB 1.007 39.514 38.487 0.034 0.000 1.563 103 N HN 0.375 nan 8.380 nan 0.000 0.613 104 D N 2.020 122.430 120.400 0.017 0.000 2.340 104 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 104 D C 0.872 177.179 176.300 0.011 0.000 1.039 104 D CA 0.246 54.256 54.000 0.015 0.000 0.866 104 D CB 0.159 40.963 40.800 0.006 0.000 0.913 104 D HN 0.472 nan 8.370 nan 0.000 0.523 105 R N -0.488 120.015 120.500 0.005 0.000 2.317 105 R HA 0.203 4.543 4.340 -0.000 0.000 0.208 105 R C 0.199 176.503 176.300 0.007 0.000 0.914 105 R CA -0.555 55.542 56.100 -0.004 0.000 1.060 105 R CB 0.114 30.400 30.300 -0.023 0.000 1.015 105 R HN 0.122 nan 8.270 nan 0.000 0.498 106 L N 1.994 123.235 121.223 0.030 0.000 2.410 106 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 106 L C -0.297 176.617 176.870 0.073 0.000 1.152 106 L CA 0.181 55.051 54.840 0.049 0.000 0.855 106 L CB 0.512 42.625 42.059 0.089 0.000 1.129 106 L HN -0.048 nan 8.230 nan 0.000 0.463 107 I N 6.452 127.056 120.570 0.055 0.000 2.291 107 I HA 0.062 4.232 4.170 -0.000 0.000 0.292 107 I C -0.509 175.666 176.117 0.097 0.000 1.064 107 I CA -0.112 61.232 61.300 0.074 0.000 1.269 107 I CB -0.358 37.669 38.000 0.045 0.000 1.418 107 I HN 0.583 nan 8.210 nan 0.000 0.485 108 Y N 5.801 126.113 120.300 0.020 0.000 2.518 108 Y HA 0.553 5.103 4.550 -0.000 0.000 0.344 108 Y C 0.338 176.251 175.900 0.022 0.000 0.982 108 Y CA -0.658 57.456 58.100 0.023 0.000 1.234 108 Y CB 0.828 39.302 38.460 0.024 0.000 1.114 108 Y HN 0.667 nan 8.280 nan 0.000 0.515 109 A N 7.570 130.398 122.820 0.013 0.000 2.253 109 A HA 0.550 4.870 4.320 -0.000 0.000 0.316 109 A C -0.568 177.034 177.584 0.030 0.000 1.327 109 A CA -0.847 51.217 52.037 0.046 0.000 0.917 109 A CB 0.236 19.240 19.000 0.006 0.000 1.162 109 A HN 0.853 nan 8.150 nan 0.000 0.535 110 R N 2.487 123.051 120.500 0.106 0.000 2.246 110 R HA 0.410 4.750 4.340 -0.000 0.000 0.332 110 R C -0.928 175.388 176.300 0.026 0.000 0.974 110 R CA -0.541 55.612 56.100 0.089 0.000 0.837 110 R CB 1.343 31.739 30.300 0.160 0.000 1.145 110 R HN 0.671 nan 8.270 nan 0.000 0.467 111 M N 3.309 122.898 119.600 -0.019 0.000 2.047 111 M HA 0.193 4.673 4.480 -0.000 0.000 0.342 111 M C -0.633 175.614 176.300 -0.089 0.000 1.058 111 M CA -0.066 55.206 55.300 -0.048 0.000 0.991 111 M CB 1.121 33.691 32.600 -0.050 0.000 1.474 111 M HN 0.731 nan 8.290 nan 0.000 0.419 112 T N 0.673 115.150 114.554 -0.129 0.000 2.831 112 T HA 0.794 5.144 4.350 -0.000 0.000 0.287 112 T C 0.610 175.044 174.700 -0.443 0.000 1.070 112 T CA -0.417 61.558 62.100 -0.207 0.000 1.010 112 T CB 1.261 70.066 68.868 -0.106 0.000 1.264 112 T HN 0.492 nan 8.240 nan 0.000 0.532 113 G N -1.100 107.227 108.800 -0.789 0.000 2.486 113 G HA2 0.103 4.063 3.960 -0.000 0.000 0.210 113 G HA3 0.103 4.063 3.960 -0.000 0.000 0.210 113 G C 0.697 174.954 174.900 -1.072 0.000 1.168 113 G CA -0.374 43.638 45.100 -1.814 0.000 0.820 113 G HN 0.802 nan 8.290 nan 0.000 0.544 114 W N 0.687 121.772 121.300 -0.359 0.000 3.211 114 W HA 0.461 5.121 4.660 -0.000 0.000 0.292 114 W C 1.321 177.779 176.519 -0.101 0.000 1.268 114 W CA 0.150 57.416 57.345 -0.132 0.000 1.702 114 W CB 0.642 30.100 29.460 -0.004 0.000 1.092 114 W HN 0.523 nan 8.180 nan 0.000 0.643 115 G N 0.493 109.331 108.800 0.064 0.000 2.655 115 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.680 115 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.680 115 G C 0.229 175.165 174.900 0.059 0.000 1.302 115 G CA -0.442 44.683 45.100 0.041 0.000 0.872 115 G HN -0.024 nan 8.290 nan 0.000 0.540 116 Q N -0.461 119.363 119.800 0.040 0.000 2.389 116 Q HA 0.143 4.483 4.340 -0.000 0.000 0.204 116 Q C 1.707 177.729 176.000 0.037 0.000 0.944 116 Q CA 1.935 57.762 55.803 0.041 0.000 0.908 116 Q CB 0.197 28.953 28.738 0.029 0.000 1.002 116 Q HN 1.312 nan 8.270 nan 0.000 0.493 117 T N -4.260 110.314 114.554 0.033 0.000 2.778 117 T HA 0.707 5.057 4.350 -0.000 0.000 0.293 117 T C -0.055 174.654 174.700 0.016 0.000 1.144 117 T CA -0.213 61.898 62.100 0.020 0.000 1.010 117 T CB 2.322 71.194 68.868 0.007 0.000 1.325 117 T HN 0.294 nan 8.240 nan 0.000 0.515 118 G N 1.045 109.843 108.800 -0.005 0.000 2.570 118 G HA2 0.145 4.105 3.960 -0.000 0.000 0.686 118 G HA3 0.145 4.105 3.960 -0.000 0.000 0.686 118 G C -2.224 172.646 174.900 -0.051 0.000 1.257 118 G CA -0.230 44.854 45.100 -0.026 0.000 0.846 118 G HN 0.733 nan 8.290 nan 0.000 0.627 119 P HA -0.036 nan 4.420 nan 0.000 0.222 119 P C 1.300 178.508 177.300 -0.153 0.000 1.147 119 P CA 1.009 64.049 63.100 -0.100 0.000 0.790 119 P CB 0.094 31.730 31.700 -0.107 0.000 0.780 120 R N -0.347 120.007 120.500 -0.243 0.000 2.362 120 R HA 0.125 4.465 4.340 -0.000 0.000 0.227 120 R C 2.198 178.368 176.300 -0.217 0.000 0.905 120 R CA 0.469 56.320 56.100 -0.415 0.000 1.067 120 R CB -0.218 29.466 30.300 -1.025 0.000 1.078 120 R HN 0.216 nan 8.270 nan 0.000 0.516 121 S N 0.684 116.366 115.700 -0.030 0.000 2.440 121 S HA -0.168 4.302 4.470 -0.000 0.000 0.240 121 S C 1.565 176.246 174.600 0.135 0.000 1.014 121 S CA 0.974 59.242 58.200 0.113 0.000 0.980 121 S CB 0.038 63.282 63.200 0.074 0.000 0.775 121 S HN 0.210 nan 8.310 nan 0.000 0.499 122 Q N 0.615 120.462 119.800 0.079 0.000 2.247 122 Q HA 0.300 4.640 4.340 -0.000 0.000 0.204 122 Q C 0.262 176.329 176.000 0.111 0.000 0.872 122 Q CA 0.065 55.920 55.803 0.087 0.000 0.951 122 Q CB 0.258 29.023 28.738 0.046 0.000 1.099 122 Q HN 0.799 nan 8.270 nan 0.000 0.501 123 Q N 0.245 120.137 119.800 0.154 0.000 2.243 123 Q HA 0.519 4.859 4.340 -0.000 0.000 0.252 123 Q C -0.727 175.453 176.000 0.300 0.000 0.909 123 Q CA -0.337 55.567 55.803 0.168 0.000 0.922 123 Q CB 1.273 30.049 28.738 0.063 0.000 1.215 123 Q HN 0.187 nan 8.270 nan 0.000 0.427 124 A N 2.437 125.372 122.820 0.192 0.000 2.448 124 A HA 0.614 4.934 4.320 -0.000 0.000 0.239 124 A C 0.338 178.026 177.584 0.172 0.000 1.080 124 A CA 0.731 52.854 52.037 0.143 0.000 0.779 124 A CB 0.177 19.221 19.000 0.074 0.000 1.026 124 A HN 0.907 nan 8.150 nan 0.000 0.499 125 G N -0.268 108.510 108.800 -0.037 0.000 2.441 125 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 125 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 125 G C -1.347 173.149 174.900 -0.674 0.000 1.393 125 G CA -0.685 44.255 45.100 -0.266 0.000 0.796 125 G HN 0.879 nan 8.290 nan 0.000 0.494 126 H N -0.933 117.808 119.070 -0.548 0.000 2.931 126 H HA 0.365 4.921 4.556 -0.000 0.000 0.331 126 H C 0.661 175.592 175.328 -0.662 0.000 1.273 126 H CA -0.204 55.606 56.048 -0.396 0.000 1.171 126 H CB 2.339 31.986 29.762 -0.192 0.000 1.898 126 H HN 0.635 nan 8.280 nan 0.000 0.562 127 D N 0.835 121.164 120.400 -0.118 0.000 2.154 127 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 127 D C 1.852 178.049 176.300 -0.172 0.000 1.003 127 D CA 1.566 55.514 54.000 -0.087 0.000 0.849 127 D CB 0.051 40.806 40.800 -0.076 0.000 0.942 127 D HN 0.527 nan 8.370 nan 0.000 0.446 128 I N 0.229 120.717 120.570 -0.138 0.000 2.335 128 I HA -0.312 3.858 4.170 -0.000 0.000 0.251 128 I C 1.625 177.671 176.117 -0.119 0.000 1.129 128 I CA 1.366 62.613 61.300 -0.088 0.000 1.402 128 I CB -0.157 37.812 38.000 -0.052 0.000 1.069 128 I HN 0.062 nan 8.210 nan 0.000 0.424 129 N N -0.459 118.073 118.700 -0.281 0.000 2.171 129 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 129 N C 1.588 176.995 175.510 -0.171 0.000 1.021 129 N CA 1.386 54.306 53.050 -0.218 0.000 0.854 129 N CB -0.265 38.052 38.487 -0.284 0.000 0.994 129 N HN 0.292 nan 8.380 nan 0.000 0.426 130 Y N 1.258 121.404 120.300 -0.258 0.000 2.242 130 Y HA -0.015 4.535 4.550 -0.000 0.000 0.291 130 Y C 1.983 177.834 175.900 -0.081 0.000 1.137 130 Y CA 0.362 58.211 58.100 -0.418 0.000 1.181 130 Y CB -0.802 37.329 38.460 -0.548 0.000 0.989 130 Y HN 0.171 nan 8.280 nan 0.000 0.527 131 I N -3.721 116.893 120.570 0.074 0.000 3.684 131 I HA 0.109 4.279 4.170 -0.000 0.000 0.304 131 I C 1.700 177.885 176.117 0.114 0.000 1.278 131 I CA 0.628 61.984 61.300 0.094 0.000 1.272 131 I CB -0.239 37.796 38.000 0.059 0.000 1.029 131 I HN -0.104 nan 8.210 nan 0.000 0.458 132 S N 1.188 116.962 115.700 0.123 0.000 2.414 132 S HA 0.206 4.676 4.470 -0.000 0.000 0.227 132 S C 1.798 176.502 174.600 0.174 0.000 1.022 132 S CA 0.744 59.027 58.200 0.138 0.000 0.958 132 S CB -0.081 63.193 63.200 0.124 0.000 0.797 132 S HN 0.480 nan 8.310 nan 0.000 0.493 133 L N 1.988 123.353 121.223 0.237 0.000 2.509 133 L HA 0.118 4.458 4.340 -0.000 0.000 0.222 133 L C 1.216 178.209 176.870 0.205 0.000 1.123 133 L CA 0.724 55.703 54.840 0.232 0.000 0.856 133 L CB -0.280 41.980 42.059 0.334 0.000 0.985 133 L HN 0.530 nan 8.230 nan 0.000 0.456 134 N N -1.920 116.909 118.700 0.214 0.000 2.200 134 N HA 0.105 4.845 4.740 -0.000 0.000 0.224 134 N C 1.150 176.831 175.510 0.284 0.000 1.179 134 N CA 0.586 53.779 53.050 0.238 0.000 0.877 134 N CB 1.127 39.742 38.487 0.213 0.000 1.072 134 N HN 0.089 nan 8.380 nan 0.000 0.519 135 G N 1.444 110.363 108.800 0.198 0.000 2.217 135 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 135 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 135 G C 0.730 175.695 174.900 0.109 0.000 0.990 135 G CA 0.359 45.539 45.100 0.133 0.000 0.627 135 G HN 0.319 nan 8.290 nan 0.000 0.522 136 I N 0.030 120.671 120.570 0.118 0.000 2.133 136 I HA -0.080 4.090 4.170 -0.000 0.000 0.238 136 I C 2.637 178.808 176.117 0.091 0.000 1.074 136 I CA 1.573 62.921 61.300 0.080 0.000 1.342 136 I CB -0.391 37.655 38.000 0.077 0.000 1.053 136 I HN 0.277 nan 8.210 nan 0.000 0.404 137 L N 0.568 121.850 121.223 0.099 0.000 2.043 137 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 137 L C 2.683 179.607 176.870 0.091 0.000 1.075 137 L CA 2.031 56.920 54.840 0.081 0.000 0.752 137 L CB -1.091 41.011 42.059 0.072 0.000 0.891 137 L HN 0.332 nan 8.230 nan 0.000 0.432 138 H N -0.575 118.520 119.070 0.042 0.000 2.457 138 H HA -0.104 4.452 4.556 -0.000 0.000 0.297 138 H C 1.657 177.010 175.328 0.042 0.000 1.092 138 H CA 1.346 57.417 56.048 0.038 0.000 1.309 138 H CB 0.312 30.098 29.762 0.040 0.000 1.382 138 H HN 0.500 nan 8.280 nan 0.000 0.535 139 A N 0.405 123.315 122.820 0.149 0.000 2.275 139 A HA 0.223 4.543 4.320 -0.000 0.000 0.212 139 A C 0.931 178.570 177.584 0.092 0.000 1.201 139 A CA -0.214 51.917 52.037 0.156 0.000 0.843 139 A CB 0.086 19.211 19.000 0.208 0.000 0.873 139 A HN 0.229 nan 8.150 nan 0.000 0.492 140 I N 0.159 120.751 120.570 0.037 0.000 2.354 140 I HA 0.579 4.749 4.170 -0.000 0.000 0.292 140 I C 0.684 176.790 176.117 -0.017 0.000 0.989 140 I CA 0.135 61.448 61.300 0.023 0.000 1.188 140 I CB 1.345 39.361 38.000 0.027 0.000 1.342 140 I HN 0.344 nan 8.210 nan 0.000 0.457 141 G N 5.069 113.857 108.800 -0.021 0.000 2.371 141 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.663 141 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.663 141 G C -0.993 173.874 174.900 -0.056 0.000 1.311 141 G CA -1.146 43.927 45.100 -0.045 0.000 0.985 141 G HN 0.413 nan 8.290 nan 0.000 0.566 142 R N 0.019 120.480 120.500 -0.066 0.000 2.641 142 R HA 0.421 4.761 4.340 -0.000 0.000 0.269 142 R C 1.849 178.108 176.300 -0.068 0.000 1.074 142 R CA 0.229 56.288 56.100 -0.069 0.000 1.133 142 R CB 0.395 30.654 30.300 -0.069 0.000 1.029 142 R HN 1.117 nan 8.270 nan 0.000 0.488 143 G N 1.104 109.866 108.800 -0.064 0.000 2.443 143 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 143 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 143 G C 0.569 175.437 174.900 -0.054 0.000 1.131 143 G CA 0.670 45.733 45.100 -0.062 0.000 0.775 143 G HN 0.666 nan 8.290 nan 0.000 0.547 144 D N -0.239 120.133 120.400 -0.046 0.000 2.368 144 D HA 0.141 4.780 4.640 -0.000 0.000 0.218 144 D C 0.423 176.702 176.300 -0.036 0.000 1.112 144 D CA -0.082 53.896 54.000 -0.036 0.000 0.834 144 D CB 0.176 40.959 40.800 -0.029 0.000 0.953 144 D HN 0.379 nan 8.370 nan 0.000 0.505 145 E N -0.039 120.134 120.200 -0.046 0.000 2.433 145 E HA 0.343 4.693 4.350 -0.000 0.000 0.273 145 E C -0.279 176.288 176.600 -0.055 0.000 0.950 145 E CA -1.215 55.159 56.400 -0.043 0.000 0.796 145 E CB 2.065 31.739 29.700 -0.043 0.000 1.330 145 E HN 0.078 nan 8.360 nan 0.000 0.455 146 R N 0.420 120.893 120.500 -0.045 0.000 2.738 146 R HA 0.268 4.608 4.340 -0.000 0.000 0.268 146 R C -2.345 173.918 176.300 -0.062 0.000 1.062 146 R CA -1.251 54.818 56.100 -0.051 0.000 1.158 146 R CB -0.615 29.668 30.300 -0.029 0.000 1.046 146 R HN 0.096 nan 8.270 nan 0.000 0.493 147 P HA -0.042 nan 4.420 nan 0.000 0.269 147 P C -0.814 176.465 177.300 -0.036 0.000 1.209 147 P CA -0.321 62.739 63.100 -0.067 0.000 0.776 147 P CB 0.773 32.434 31.700 -0.064 0.000 0.876 148 V N 4.467 124.363 119.914 -0.030 0.000 2.513 148 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 148 V C -2.349 173.740 176.094 -0.008 0.000 1.035 148 V CA -2.784 59.504 62.300 -0.020 0.000 0.889 148 V CB 1.659 33.465 31.823 -0.027 0.000 0.988 148 V HN 0.466 nan 8.190 nan 0.000 0.440 149 P HA 0.265 nan 4.420 nan 0.000 0.271 149 P C -2.622 174.684 177.300 0.010 0.000 1.220 149 P CA -1.490 61.612 63.100 0.003 0.000 0.768 149 P CB 0.045 31.744 31.700 -0.001 0.000 0.848 150 P HA 0.113 nan 4.420 nan 0.000 0.225 150 P C 0.465 177.794 177.300 0.048 0.000 1.813 150 P CA -0.035 63.083 63.100 0.031 0.000 1.013 150 P CB -0.335 31.387 31.700 0.036 0.000 1.961 151 L N -0.476 120.776 121.223 0.048 0.000 6.855 151 L HA -0.327 4.013 4.340 -0.000 0.000 0.055 151 L C 1.241 178.135 176.870 0.040 0.000 1.527 151 L CA 1.634 56.511 54.840 0.061 0.000 1.709 151 L CB -1.371 40.754 42.059 0.110 0.000 2.675 151 L HN 0.372 nan 8.230 nan 0.000 1.057 152 N N 0.254 118.985 118.700 0.050 0.000 2.380 152 N HA 0.198 4.938 4.740 -0.000 0.000 0.255 152 N C 0.756 176.241 175.510 -0.041 0.000 1.158 152 N CA 0.017 53.044 53.050 -0.038 0.000 0.878 152 N CB 0.193 38.611 38.487 -0.115 0.000 1.138 152 N HN 0.627 nan 8.380 nan 0.000 0.509 153 L N -0.495 120.786 121.223 0.098 0.000 2.240 153 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 153 L C 1.708 178.650 176.870 0.120 0.000 1.106 153 L CA 0.584 55.539 54.840 0.193 0.000 0.793 153 L CB 0.190 42.349 42.059 0.167 0.000 0.927 153 L HN 0.040 nan 8.230 nan 0.000 0.446 154 V N -1.240 118.706 119.914 0.052 0.000 2.795 154 V HA 0.086 4.206 4.120 -0.000 0.000 0.243 154 V C 2.292 178.400 176.094 0.024 0.000 1.069 154 V CA 1.371 63.704 62.300 0.056 0.000 1.089 154 V CB -0.248 31.605 31.823 0.050 0.000 0.756 154 V HN 0.443 nan 8.190 nan 0.000 0.471 155 G N -0.186 108.598 108.800 -0.027 0.000 2.473 155 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.212 155 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.212 155 G C 1.151 175.968 174.900 -0.138 0.000 1.211 155 G CA 0.765 45.838 45.100 -0.046 0.000 0.813 155 G HN 0.427 nan 8.290 nan 0.000 0.541 156 D N 0.221 120.430 120.400 -0.318 0.000 2.123 156 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 156 D C 2.032 178.005 176.300 -0.545 0.000 0.992 156 D CA 1.043 54.665 54.000 -0.630 0.000 0.833 156 D CB -0.116 39.920 40.800 -1.273 0.000 0.954 156 D HN 0.349 nan 8.370 nan 0.000 0.455 157 F N -0.470 119.462 119.950 -0.030 0.000 2.539 157 F HA 0.302 4.829 4.527 -0.000 0.000 0.277 157 F C 2.536 178.373 175.800 0.062 0.000 0.925 157 F CA 0.369 58.329 58.000 -0.067 0.000 1.193 157 F CB -1.065 37.773 39.000 -0.271 0.000 1.128 157 F HN -0.081 nan 8.300 nan 0.000 0.740 158 G N -0.230 108.719 108.800 0.248 0.000 2.418 158 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 158 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 158 G C 1.743 176.841 174.900 0.331 0.000 1.158 158 G CA 0.950 46.190 45.100 0.232 0.000 0.771 158 G HN 0.519 nan 8.290 nan 0.000 0.545 159 G N -0.626 108.324 108.800 0.250 0.000 3.337 159 G HA2 0.463 4.423 3.960 -0.000 0.000 0.246 159 G HA3 0.463 4.423 3.960 -0.000 0.000 0.246 159 G C 0.834 175.823 174.900 0.148 0.000 1.131 159 G CA 0.982 46.216 45.100 0.223 0.000 0.773 159 G HN 0.655 nan 8.290 nan 0.000 0.544 160 G N 0.618 109.533 108.800 0.192 0.000 2.449 160 G HA2 0.157 4.117 3.960 -0.000 0.000 0.192 160 G HA3 0.157 4.117 3.960 -0.000 0.000 0.192 160 G C 1.888 176.897 174.900 0.183 0.000 1.776 160 G CA 1.121 46.276 45.100 0.092 0.000 0.699 160 G HN 0.407 nan 8.290 nan 0.000 0.745 161 S N 0.596 116.428 115.700 0.219 0.000 2.382 161 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 161 S C 2.384 177.125 174.600 0.235 0.000 1.027 161 S CA 1.762 60.125 58.200 0.271 0.000 0.991 161 S CB -0.328 63.173 63.200 0.501 0.000 0.823 161 S HN 0.140 nan 8.310 nan 0.000 0.469 162 M N 0.598 120.344 119.600 0.244 0.000 2.175 162 M HA 0.131 4.611 4.480 -0.000 0.000 0.264 162 M C 1.896 178.172 176.300 -0.040 0.000 1.063 162 M CA 1.081 56.433 55.300 0.087 0.000 1.119 162 M CB -1.706 30.917 32.600 0.039 0.000 1.377 162 M HN 0.313 nan 8.290 nan 0.000 0.415 163 F N 0.355 120.339 119.950 0.056 0.000 2.234 163 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 163 F C 2.292 178.110 175.800 0.029 0.000 1.087 163 F CA 0.789 58.808 58.000 0.033 0.000 1.340 163 F CB -0.824 38.186 39.000 0.016 0.000 1.031 163 F HN 0.055 nan 8.300 nan 0.000 0.500 164 L N -0.169 121.171 121.223 0.195 0.000 2.046 164 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 164 L C 2.066 178.980 176.870 0.074 0.000 1.077 164 L CA 1.660 56.569 54.840 0.116 0.000 0.747 164 L CB -0.611 41.504 42.059 0.093 0.000 0.896 164 L HN 0.103 nan 8.230 nan 0.000 0.432 165 L N -1.983 119.273 121.223 0.056 0.000 2.027 165 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 165 L C 2.413 179.285 176.870 0.003 0.000 1.074 165 L CA 1.128 55.980 54.840 0.022 0.000 0.745 165 L CB -0.628 41.436 42.059 0.009 0.000 0.898 165 L HN 0.077 nan 8.230 nan 0.000 0.433 166 V N 0.200 120.094 119.914 -0.033 0.000 2.332 166 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 166 V C 2.616 178.718 176.094 0.014 0.000 1.055 166 V CA 2.059 64.332 62.300 -0.046 0.000 1.038 166 V CB -1.408 30.328 31.823 -0.146 0.000 0.651 166 V HN 0.600 nan 8.190 nan 0.000 0.450 167 G N -0.175 108.657 108.800 0.055 0.000 2.446 167 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 167 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 167 G C 1.593 176.531 174.900 0.063 0.000 1.168 167 G CA 1.190 46.334 45.100 0.074 0.000 0.771 167 G HN 0.475 nan 8.290 nan 0.000 0.551 168 I N 0.401 121.003 120.570 0.053 0.000 2.127 168 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 168 I C 2.767 178.913 176.117 0.048 0.000 1.075 168 I CA 1.001 62.328 61.300 0.045 0.000 1.334 168 I CB -0.216 37.802 38.000 0.030 0.000 1.040 168 I HN 0.134 nan 8.210 nan 0.000 0.405 169 L N 0.142 121.389 121.223 0.040 0.000 2.093 169 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 169 L C 2.820 179.741 176.870 0.085 0.000 1.085 169 L CA 1.136 56.005 54.840 0.050 0.000 0.755 169 L CB -0.830 41.246 42.059 0.028 0.000 0.904 169 L HN 0.235 nan 8.230 nan 0.000 0.435 170 A N 0.425 123.287 122.820 0.070 0.000 1.908 170 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 170 A C 2.548 180.234 177.584 0.170 0.000 1.181 170 A CA 1.943 54.043 52.037 0.105 0.000 0.627 170 A CB -0.758 18.276 19.000 0.057 0.000 0.818 170 A HN 0.400 nan 8.150 nan 0.000 0.445 171 A N -0.588 122.303 122.820 0.118 0.000 1.972 171 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 171 A C 2.140 179.782 177.584 0.096 0.000 1.169 171 A CA 1.401 53.501 52.037 0.104 0.000 0.635 171 A CB -0.536 18.511 19.000 0.078 0.000 0.810 171 A HN 0.476 nan 8.150 nan 0.000 0.446 172 L N -1.357 119.924 121.223 0.097 0.000 2.093 172 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 172 L C 2.609 179.544 176.870 0.108 0.000 1.085 172 L CA 1.373 56.258 54.840 0.075 0.000 0.755 172 L CB -0.460 41.635 42.059 0.060 0.000 0.904 172 L HN 0.834 nan 8.230 nan 0.000 0.435 173 W N 1.337 122.633 121.300 -0.007 0.000 2.358 173 W HA -0.206 4.454 4.660 -0.000 0.000 0.303 173 W C 2.197 178.714 176.519 -0.004 0.000 1.208 173 W CA 1.649 58.990 57.345 -0.006 0.000 1.274 173 W CB -0.179 29.280 29.460 -0.002 0.000 1.138 173 W HN 0.238 nan 8.180 nan 0.000 0.515 174 E N 1.263 121.526 120.200 0.105 0.000 2.085 174 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 174 E C 2.280 178.809 176.600 -0.118 0.000 0.994 174 E CA 1.579 57.967 56.400 -0.021 0.000 0.801 174 E CB -0.549 29.208 29.700 0.096 0.000 0.743 174 E HN 0.316 nan 8.360 nan 0.000 0.453 175 R N 0.258 120.719 120.500 -0.065 0.000 2.152 175 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 175 R C 2.401 178.626 176.300 -0.125 0.000 1.117 175 R CA 1.418 57.474 56.100 -0.072 0.000 0.981 175 R CB -0.004 30.275 30.300 -0.035 0.000 0.870 175 R HN 0.277 nan 8.270 nan 0.000 0.451 176 Q N -0.458 119.223 119.800 -0.198 0.000 2.181 176 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 176 Q C 2.035 177.894 176.000 -0.234 0.000 0.980 176 Q CA 2.076 57.738 55.803 -0.235 0.000 0.862 176 Q CB 0.022 28.539 28.738 -0.367 0.000 0.905 176 Q HN 0.443 nan 8.270 nan 0.000 0.429 177 S N -0.745 114.796 115.700 -0.265 0.000 2.499 177 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 177 S C 2.007 176.533 174.600 -0.124 0.000 1.050 177 S CA 0.474 58.553 58.200 -0.203 0.000 0.928 177 S CB 0.097 63.153 63.200 -0.239 0.000 0.803 177 S HN 0.320 nan 8.310 nan 0.000 0.506 178 S N 0.448 116.086 115.700 -0.103 0.000 2.478 178 S HA 0.436 4.906 4.470 -0.000 0.000 0.222 178 S C 1.819 176.387 174.600 -0.054 0.000 1.008 178 S CA 0.770 58.932 58.200 -0.063 0.000 0.928 178 S CB -0.537 62.636 63.200 -0.044 0.000 0.781 178 S HN 1.544 nan 8.310 nan 0.000 0.518 179 G N 1.218 109.980 108.800 -0.063 0.000 2.179 179 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.260 179 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.260 179 G C -0.044 174.834 174.900 -0.037 0.000 0.977 179 G CA 0.491 45.560 45.100 -0.051 0.000 0.641 179 G HN 0.620 nan 8.290 nan 0.000 0.533 180 K N 0.274 120.656 120.400 -0.030 0.000 2.328 180 K HA 0.642 4.962 4.320 -0.000 0.000 0.246 180 K C 0.772 177.369 176.600 -0.004 0.000 0.955 180 K CA -0.358 55.920 56.287 -0.014 0.000 0.817 180 K CB 2.103 34.597 32.500 -0.010 0.000 1.208 180 K HN 0.234 nan 8.250 nan 0.000 0.432 181 G N 0.395 109.200 108.800 0.009 0.000 2.509 181 G HA2 0.406 4.366 3.960 -0.000 0.000 0.269 181 G HA3 0.406 4.366 3.960 -0.000 0.000 0.269 181 G C -0.531 174.389 174.900 0.033 0.000 1.416 181 G CA -0.039 45.077 45.100 0.026 0.000 1.052 181 G HN 0.703 nan 8.290 nan 0.000 0.542 182 Q N -3.408 116.423 119.800 0.052 0.000 2.975 182 Q HA 0.404 4.744 4.340 -0.000 0.000 0.324 182 Q C -1.972 174.077 176.000 0.082 0.000 0.830 182 Q CA -0.928 54.905 55.803 0.050 0.000 0.818 182 Q CB 1.075 29.837 28.738 0.039 0.000 1.440 182 Q HN 0.449 nan 8.270 nan 0.000 0.475 183 V N 1.210 121.160 119.914 0.060 0.000 2.407 183 V HA 0.444 4.564 4.120 -0.000 0.000 0.278 183 V C -0.303 175.843 176.094 0.087 0.000 1.037 183 V CA -0.698 61.656 62.300 0.089 0.000 0.900 183 V CB 1.363 33.192 31.823 0.009 0.000 0.983 183 V HN 0.516 nan 8.190 nan 0.000 0.459 184 V N 3.782 123.766 119.914 0.117 0.000 2.350 184 V HA 0.288 4.408 4.120 -0.000 0.000 0.276 184 V C -0.146 176.002 176.094 0.089 0.000 1.028 184 V CA -0.363 61.992 62.300 0.092 0.000 0.860 184 V CB 1.496 33.373 31.823 0.089 0.000 0.990 184 V HN 0.971 nan 8.190 nan 0.000 0.453 185 D N 4.986 125.424 120.400 0.063 0.000 2.467 185 D HA 0.476 5.116 4.640 -0.000 0.000 0.220 185 D C 0.074 176.391 176.300 0.028 0.000 1.103 185 D CA -0.233 53.794 54.000 0.045 0.000 0.886 185 D CB 1.295 42.113 40.800 0.030 0.000 1.025 185 D HN 0.650 nan 8.370 nan 0.000 0.514 186 A N 3.332 126.166 122.820 0.024 0.000 2.341 186 A HA 0.675 4.995 4.320 -0.000 0.000 0.326 186 A C 0.006 177.556 177.584 -0.057 0.000 1.402 186 A CA -0.603 51.439 52.037 0.009 0.000 0.957 186 A CB 0.407 19.440 19.000 0.054 0.000 1.151 186 A HN 0.638 nan 8.150 nan 0.000 0.533 187 A N 3.055 125.817 122.820 -0.097 0.000 2.292 187 A HA 0.582 4.902 4.320 -0.000 0.000 0.319 187 A C 0.921 178.363 177.584 -0.236 0.000 1.206 187 A CA -0.597 51.338 52.037 -0.170 0.000 0.835 187 A CB 0.232 19.164 19.000 -0.114 0.000 1.164 187 A HN 0.862 nan 8.150 nan 0.000 0.505 188 M N 2.506 121.894 119.600 -0.355 0.000 2.279 188 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 188 M C 1.812 177.961 176.300 -0.251 0.000 1.062 188 M CA 1.177 56.286 55.300 -0.319 0.000 1.099 188 M CB -0.221 32.136 32.600 -0.405 0.000 1.394 188 M HN 0.626 nan 8.290 nan 0.000 0.426 189 V N 0.436 120.203 119.914 -0.245 0.000 2.626 189 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 189 V C 1.460 177.508 176.094 -0.077 0.000 1.067 189 V CA 1.975 64.237 62.300 -0.065 0.000 1.081 189 V CB -0.318 31.576 31.823 0.120 0.000 0.686 189 V HN 0.385 nan 8.190 nan 0.000 0.468 190 D N 0.244 120.555 120.400 -0.149 0.000 2.146 190 D HA 0.018 4.658 4.640 -0.000 0.000 0.209 190 D C 2.112 178.182 176.300 -0.385 0.000 0.973 190 D CA 1.514 55.391 54.000 -0.205 0.000 0.860 190 D CB -0.900 39.787 40.800 -0.188 0.000 1.015 190 D HN 0.466 nan 8.370 nan 0.000 0.465 191 G N 0.842 109.310 108.800 -0.555 0.000 2.476 191 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 191 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 191 G C 1.726 176.167 174.900 -0.765 0.000 1.164 191 G CA 2.051 46.411 45.100 -1.233 0.000 0.768 191 G HN 0.414 nan 8.290 nan 0.000 0.560 192 S N 0.260 115.782 115.700 -0.297 0.000 2.423 192 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 192 S C 2.401 176.987 174.600 -0.024 0.000 1.014 192 S CA 1.658 59.808 58.200 -0.082 0.000 0.965 192 S CB -0.310 62.880 63.200 -0.016 0.000 0.785 192 S HN 0.233 nan 8.310 nan 0.000 0.495 193 S N 1.405 117.071 115.700 -0.056 0.000 2.368 193 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 193 S C 1.897 176.513 174.600 0.027 0.000 1.030 193 S CA 1.270 59.494 58.200 0.039 0.000 0.999 193 S CB -0.510 62.656 63.200 -0.056 0.000 0.844 193 S HN 0.453 nan 8.310 nan 0.000 0.459 194 V N 1.503 121.355 119.914 -0.103 0.000 2.453 194 V HA -0.049 4.071 4.120 -0.000 0.000 0.247 194 V C 2.163 178.344 176.094 0.146 0.000 1.048 194 V CA 1.015 63.315 62.300 0.001 0.000 1.049 194 V CB -0.570 31.233 31.823 -0.033 0.000 0.672 194 V HN 0.319 nan 8.190 nan 0.000 0.457 195 L N -0.321 120.991 121.223 0.148 0.000 2.079 195 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 195 L C 1.838 178.782 176.870 0.125 0.000 1.081 195 L CA 1.940 56.912 54.840 0.221 0.000 0.752 195 L CB -0.262 41.934 42.059 0.230 0.000 0.896 195 L HN 0.287 nan 8.230 nan 0.000 0.433 196 I N -0.921 119.716 120.570 0.111 0.000 3.858 196 I HA -0.024 4.146 4.170 -0.000 0.000 0.325 196 I C 1.772 177.967 176.117 0.130 0.000 1.403 196 I CA 0.005 61.339 61.300 0.057 0.000 1.169 196 I CB -0.208 37.797 38.000 0.008 0.000 1.077 196 I HN 0.379 nan 8.210 nan 0.000 0.403 197 Q N 0.974 120.877 119.800 0.172 0.000 2.152 197 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 197 Q C 2.002 178.074 176.000 0.120 0.000 0.985 197 Q CA 2.049 57.973 55.803 0.202 0.000 0.863 197 Q CB -0.139 28.673 28.738 0.123 0.000 0.904 197 Q HN 0.652 nan 8.270 nan 0.000 0.422 198 M N -0.686 118.921 119.600 0.011 0.000 2.108 198 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 198 M C 1.859 178.063 176.300 -0.160 0.000 1.066 198 M CA 1.601 56.864 55.300 -0.062 0.000 1.107 198 M CB 0.039 32.576 32.600 -0.104 0.000 1.356 198 M HN 0.200 nan 8.290 nan 0.000 0.406 199 M N -1.083 118.315 119.600 -0.337 0.000 2.200 199 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 199 M C 1.432 177.507 176.300 -0.376 0.000 1.066 199 M CA 1.908 56.837 55.300 -0.618 0.000 1.127 199 M CB -0.668 31.335 32.600 -0.995 0.000 1.379 199 M HN 0.379 nan 8.290 nan 0.000 0.420 200 W N -0.312 120.910 121.300 -0.130 0.000 2.363 200 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 200 W C 2.515 179.022 176.519 -0.020 0.000 1.212 200 W CA 1.229 58.545 57.345 -0.048 0.000 1.260 200 W CB -0.596 28.841 29.460 -0.038 0.000 1.131 200 W HN 0.224 nan 8.180 nan 0.000 0.530 201 A N -0.019 122.907 122.820 0.178 0.000 1.855 201 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 201 A C 1.922 179.559 177.584 0.089 0.000 1.191 201 A CA 1.851 53.956 52.037 0.114 0.000 0.613 201 A CB -0.895 18.149 19.000 0.074 0.000 0.829 201 A HN 0.237 nan 8.150 nan 0.000 0.442 202 M N -1.338 118.295 119.600 0.056 0.000 2.159 202 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 202 M C 2.376 178.758 176.300 0.137 0.000 1.063 202 M CA 1.800 57.158 55.300 0.097 0.000 1.110 202 M CB -0.355 32.319 32.600 0.124 0.000 1.374 202 M HN 0.460 nan 8.290 nan 0.000 0.411 203 R N 0.621 121.195 120.500 0.123 0.000 2.096 203 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 203 R C 2.146 178.518 176.300 0.119 0.000 1.127 203 R CA 1.537 57.717 56.100 0.134 0.000 0.968 203 R CB -0.218 30.125 30.300 0.071 0.000 0.861 203 R HN 0.373 nan 8.270 nan 0.000 0.440 204 A N -0.177 122.718 122.820 0.125 0.000 2.019 204 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 204 A C 1.776 179.406 177.584 0.078 0.000 1.164 204 A CA 1.778 53.879 52.037 0.106 0.000 0.644 204 A CB -0.357 18.708 19.000 0.109 0.000 0.805 204 A HN 0.563 nan 8.150 nan 0.000 0.449 205 T N -5.086 109.514 114.554 0.077 0.000 3.134 205 T HA 0.449 4.799 4.350 -0.000 0.000 0.260 205 T C 1.142 175.875 174.700 0.055 0.000 1.027 205 T CA 0.880 63.016 62.100 0.059 0.000 0.913 205 T CB 0.187 69.088 68.868 0.056 0.000 1.046 205 T HN 1.614 nan 8.240 nan 0.000 0.553 206 G N 1.864 110.701 108.800 0.062 0.000 2.143 206 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 206 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 206 G C 0.530 175.462 174.900 0.053 0.000 0.991 206 G CA 0.425 45.553 45.100 0.046 0.000 0.689 206 G HN 0.554 nan 8.290 nan 0.000 0.522 207 M N -1.071 118.588 119.600 0.098 0.000 2.371 207 M HA 0.345 4.825 4.480 -0.000 0.000 0.246 207 M C 0.487 176.927 176.300 0.233 0.000 1.103 207 M CA 0.154 55.531 55.300 0.128 0.000 1.010 207 M CB 0.493 33.170 32.600 0.129 0.000 1.457 207 M HN 0.369 nan 8.290 nan 0.000 0.486 208 W N 0.677 121.962 121.300 -0.025 0.000 3.372 208 W HA 0.351 5.011 4.660 -0.000 0.000 0.315 208 W C -1.317 175.174 176.519 -0.047 0.000 1.223 208 W CA -0.573 56.747 57.345 -0.043 0.000 1.202 208 W CB 1.704 31.119 29.460 -0.074 0.000 1.367 208 W HN -0.059 nan 8.180 nan 0.000 0.531 209 T N 0.013 114.302 114.554 -0.442 0.000 2.930 209 T HA 0.283 4.633 4.350 -0.000 0.000 0.290 209 T C 0.039 174.642 174.700 -0.162 0.000 1.052 209 T CA -0.461 61.516 62.100 -0.205 0.000 1.017 209 T CB 2.073 70.821 68.868 -0.200 0.000 1.137 209 T HN 0.240 nan 8.240 nan 0.000 0.511 210 D N 0.930 121.310 120.400 -0.033 0.000 2.363 210 D HA 0.127 4.767 4.640 -0.000 0.000 0.226 210 D C 0.263 176.604 176.300 0.068 0.000 1.020 210 D CA 0.486 54.508 54.000 0.037 0.000 0.892 210 D CB -0.183 40.621 40.800 0.006 0.000 0.900 210 D HN 0.575 nan 8.370 nan 0.000 0.531 211 T N 1.208 115.745 114.554 -0.029 0.000 2.737 211 T HA 0.121 4.471 4.350 -0.000 0.000 0.296 211 T C 0.538 175.205 174.700 -0.055 0.000 0.922 211 T CA -0.519 61.569 62.100 -0.021 0.000 1.079 211 T CB 1.202 70.031 68.868 -0.065 0.000 0.892 211 T HN 0.013 nan 8.240 nan 0.000 0.514 212 R N 2.358 122.842 120.500 -0.026 0.000 2.537 212 R HA 0.352 4.692 4.340 -0.000 0.000 0.280 212 R C 1.260 177.514 176.300 -0.075 0.000 1.058 212 R CA 1.113 57.178 56.100 -0.060 0.000 1.057 212 R CB -0.123 30.090 30.300 -0.144 0.000 0.973 212 R HN 0.940 nan 8.270 nan 0.000 0.438 213 G N 2.099 110.856 108.800 -0.073 0.000 2.147 213 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 213 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 213 G C 0.156 175.001 174.900 -0.092 0.000 1.005 213 G CA 0.245 45.298 45.100 -0.077 0.000 0.713 213 G HN 0.866 nan 8.290 nan 0.000 0.515 214 A N -0.529 122.206 122.820 -0.141 0.000 2.585 214 A HA 0.605 4.925 4.320 -0.000 0.000 0.281 214 A C 0.446 177.919 177.584 -0.185 0.000 0.945 214 A CA 0.068 52.043 52.037 -0.103 0.000 1.031 214 A CB 0.394 19.338 19.000 -0.094 0.000 1.221 214 A HN 0.308 nan 8.150 nan 0.000 0.496 215 N N -1.195 117.324 118.700 -0.302 0.000 2.761 215 N HA 0.336 5.076 4.740 -0.000 0.000 0.283 215 N C 0.658 176.018 175.510 -0.249 0.000 1.377 215 N CA -0.658 52.075 53.050 -0.528 0.000 0.791 215 N CB 1.064 38.596 38.487 -1.593 0.000 1.540 215 N HN 0.216 nan 8.380 nan 0.000 0.539 216 M N 0.304 119.809 119.600 -0.159 0.000 2.319 216 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 216 M C 0.435 176.658 176.300 -0.129 0.000 1.068 216 M CA 1.631 56.914 55.300 -0.028 0.000 1.118 216 M CB 0.137 32.806 32.600 0.115 0.000 1.395 216 M HN 0.386 nan 8.290 nan 0.000 0.435 217 L N -0.384 120.866 121.223 0.044 0.000 2.906 217 L HA 0.163 4.503 4.340 -0.000 0.000 0.255 217 L C 0.399 177.397 176.870 0.212 0.000 1.166 217 L CA -0.313 54.472 54.840 -0.093 0.000 0.977 217 L CB 0.191 42.194 42.059 -0.092 0.000 1.313 217 L HN 0.223 nan 8.230 nan 0.000 0.549 218 D N -0.931 119.587 120.400 0.196 0.000 2.431 218 D HA 0.186 4.826 4.640 -0.000 0.000 0.213 218 D C 1.305 177.633 176.300 0.047 0.000 1.130 218 D CA 0.481 54.579 54.000 0.164 0.000 0.834 218 D CB 0.834 41.749 40.800 0.192 0.000 0.985 218 D HN 0.127 nan 8.370 nan 0.000 0.504 219 G N -0.390 108.423 108.800 0.022 0.000 2.195 219 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.224 219 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.224 219 G C 1.234 176.028 174.900 -0.175 0.000 0.990 219 G CA 0.128 45.177 45.100 -0.085 0.000 0.639 219 G HN 0.626 nan 8.290 nan 0.000 0.514 220 G N 0.343 109.038 108.800 -0.174 0.000 2.534 220 G HA2 0.464 4.424 3.960 -0.000 0.000 0.217 220 G HA3 0.464 4.424 3.960 -0.000 0.000 0.217 220 G C 0.840 175.448 174.900 -0.486 0.000 1.128 220 G CA 1.473 46.463 45.100 -0.183 0.000 0.784 220 G HN 1.713 nan 8.290 nan 0.000 0.542 221 A N 0.347 122.724 122.820 -0.738 0.000 2.274 221 A HA 0.671 4.991 4.320 -0.000 0.000 0.309 221 A C -1.275 175.648 177.584 -1.102 0.000 1.226 221 A CA -1.367 49.717 52.037 -1.588 0.000 0.853 221 A CB 1.535 19.607 19.000 -1.547 0.000 1.146 221 A HN -0.012 nan 8.150 nan 0.000 0.518 222 P HA -0.176 nan 4.420 nan 0.000 0.219 222 P C 0.485 177.742 177.300 -0.073 0.000 1.146 222 P CA 1.589 64.467 63.100 -0.371 0.000 0.808 222 P CB -0.090 31.477 31.700 -0.222 0.000 0.779 223 Y N -4.883 115.379 120.300 -0.063 0.000 2.466 223 Y HA 0.333 4.883 4.550 -0.000 0.000 0.272 223 Y C 0.241 176.223 175.900 0.135 0.000 1.169 223 Y CA -0.893 57.284 58.100 0.129 0.000 1.285 223 Y CB -0.891 37.687 38.460 0.196 0.000 1.078 223 Y HN -0.115 nan 8.280 nan 0.000 0.523 224 Y N 1.831 121.988 120.300 -0.239 0.000 2.592 224 Y HA 0.517 5.067 4.550 -0.000 0.000 0.354 224 Y C -1.320 174.469 175.900 -0.185 0.000 1.063 224 Y CA -1.149 56.870 58.100 -0.136 0.000 1.205 224 Y CB 0.236 38.620 38.460 -0.126 0.000 1.106 224 Y HN 0.227 nan 8.280 nan 0.000 0.649 225 D N 0.466 120.699 120.400 -0.278 0.000 2.764 225 D HA 0.219 4.859 4.640 -0.000 0.000 0.293 225 D C -0.953 175.155 176.300 -0.320 0.000 1.287 225 D CA -0.124 53.693 54.000 -0.305 0.000 0.768 225 D CB 1.608 42.187 40.800 -0.368 0.000 1.288 225 D HN 0.258 nan 8.370 nan 0.000 0.426 226 T N -1.240 113.096 114.554 -0.364 0.000 2.934 226 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 226 T C -0.598 173.835 174.700 -0.446 0.000 1.005 226 T CA -0.269 61.646 62.100 -0.308 0.000 1.041 226 T CB 0.950 69.647 68.868 -0.286 0.000 1.042 226 T HN 0.280 nan 8.240 nan 0.000 0.505 227 Y N -0.472 119.694 120.300 -0.223 0.000 2.442 227 Y HA 0.440 4.990 4.550 -0.000 0.000 0.344 227 Y C 0.221 176.138 175.900 0.028 0.000 0.976 227 Y CA -1.094 56.912 58.100 -0.157 0.000 1.040 227 Y CB 2.057 40.267 38.460 -0.415 0.000 1.228 227 Y HN 0.831 nan 8.280 nan 0.000 0.451 228 E N 2.522 122.883 120.200 0.268 0.000 2.259 228 E HA 0.379 4.729 4.350 -0.000 0.000 0.281 228 E C -0.785 175.904 176.600 0.148 0.000 1.037 228 E CA -0.318 56.188 56.400 0.176 0.000 0.854 228 E CB 0.564 30.360 29.700 0.160 0.000 1.051 228 E HN 0.706 nan 8.360 nan 0.000 0.409 229 C N 2.742 122.092 119.300 0.084 0.000 2.478 229 C HA 0.428 4.888 4.460 -0.000 0.000 0.379 229 C C 1.904 176.961 174.990 0.112 0.000 1.470 229 C CA -0.059 59.088 59.018 0.214 0.000 2.066 229 C CB 0.636 28.565 27.740 0.315 0.000 2.001 229 C HN 0.987 nan 8.230 nan 0.000 0.550 230 A N 0.999 123.900 122.820 0.136 0.000 1.972 230 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 230 A C 1.554 179.138 177.584 -0.001 0.000 1.169 230 A CA 2.145 54.211 52.037 0.048 0.000 0.635 230 A CB -0.604 18.400 19.000 0.006 0.000 0.810 230 A HN 0.955 nan 8.150 nan 0.000 0.446 231 D N -1.703 118.690 120.400 -0.011 0.000 2.336 231 D HA 0.240 4.880 4.640 -0.000 0.000 0.229 231 D C 1.180 177.427 176.300 -0.087 0.000 1.061 231 D CA 0.761 54.736 54.000 -0.041 0.000 0.875 231 D CB -0.845 39.935 40.800 -0.034 0.000 0.904 231 D HN 0.703 nan 8.370 nan 0.000 0.525 232 G N 0.449 109.176 108.800 -0.122 0.000 2.175 232 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.265 232 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.265 232 G C 0.424 175.024 174.900 -0.500 0.000 0.979 232 G CA 0.375 45.335 45.100 -0.232 0.000 0.663 232 G HN 0.487 nan 8.290 nan 0.000 0.533 233 R N -1.339 118.902 120.500 -0.433 0.000 2.541 233 R HA 0.704 5.044 4.340 -0.000 0.000 0.254 233 R C -0.442 175.458 176.300 -0.668 0.000 1.130 233 R CA -0.508 55.268 56.100 -0.540 0.000 1.152 233 R CB 0.552 30.748 30.300 -0.173 0.000 1.222 233 R HN 0.252 nan 8.270 nan 0.000 0.579 234 Y N -0.776 119.528 120.300 0.008 0.000 2.536 234 Y HA 0.427 4.977 4.550 -0.000 0.000 0.347 234 Y C -0.031 175.844 175.900 -0.042 0.000 1.000 234 Y CA -1.199 56.886 58.100 -0.024 0.000 1.051 234 Y CB 1.731 40.147 38.460 -0.072 0.000 1.259 234 Y HN 0.274 nan 8.280 nan 0.000 0.468 235 V N -0.682 119.260 119.914 0.047 0.000 2.881 235 V HA 1.008 5.127 4.120 -0.000 0.000 0.316 235 V C -0.381 175.614 176.094 -0.165 0.000 1.070 235 V CA -1.201 61.042 62.300 -0.094 0.000 0.976 235 V CB 1.439 33.102 31.823 -0.266 0.000 1.038 235 V HN 0.942 nan 8.190 nan 0.000 0.446 236 A N 2.388 125.096 122.820 -0.186 0.000 2.303 236 A HA 0.822 5.142 4.320 -0.000 0.000 0.320 236 A C -0.605 176.825 177.584 -0.256 0.000 1.192 236 A CA -0.622 51.282 52.037 -0.222 0.000 0.821 236 A CB 1.282 20.157 19.000 -0.208 0.000 1.188 236 A HN 1.183 nan 8.150 nan 0.000 0.492 237 V N 1.842 121.613 119.914 -0.239 0.000 2.459 237 V HA 0.690 4.810 4.120 -0.000 0.000 0.295 237 V C 0.857 176.843 176.094 -0.181 0.000 1.029 237 V CA 0.288 62.480 62.300 -0.181 0.000 0.874 237 V CB 1.791 33.576 31.823 -0.062 0.000 0.985 237 V HN 1.184 nan 8.190 nan 0.000 0.438 238 G N 2.858 111.598 108.800 -0.101 0.000 4.683 238 G HA2 0.469 4.429 3.960 -0.000 0.000 0.273 238 G HA3 0.469 4.429 3.960 -0.000 0.000 0.273 238 G C 0.260 175.302 174.900 0.237 0.000 1.065 238 G CA 0.427 45.528 45.100 0.001 0.000 0.837 238 G HN 0.932 nan 8.290 nan 0.000 0.526 239 A N 0.843 123.829 122.820 0.277 0.000 3.004 239 A HA 0.596 4.916 4.320 -0.000 0.000 0.286 239 A C 1.212 178.981 177.584 0.308 0.000 1.632 239 A CA -0.386 51.839 52.037 0.314 0.000 1.339 239 A CB -0.360 18.805 19.000 0.275 0.000 1.136 239 A HN 0.380 nan 8.150 nan 0.000 0.577 240 I N -0.026 120.732 120.570 0.313 0.000 2.235 240 I HA -0.082 4.088 4.170 -0.000 0.000 0.241 240 I C 0.701 176.783 176.117 -0.059 0.000 1.085 240 I CA 0.632 62.003 61.300 0.118 0.000 1.378 240 I CB -0.093 38.052 38.000 0.242 0.000 1.076 240 I HN 0.473 nan 8.210 nan 0.000 0.415 241 E N 2.130 122.365 120.200 0.059 0.000 2.373 241 E HA 0.003 4.353 4.350 -0.000 0.000 0.267 241 E C -1.590 174.908 176.600 -0.170 0.000 1.032 241 E CA -1.231 55.079 56.400 -0.150 0.000 0.889 241 E CB 0.064 29.527 29.700 -0.394 0.000 0.984 241 E HN 0.083 nan 8.360 nan 0.000 0.425 242 P HA -0.261 nan 4.420 nan 0.000 0.216 242 P C 1.044 178.329 177.300 -0.024 0.000 1.150 242 P CA 1.365 64.418 63.100 -0.079 0.000 0.837 242 P CB 0.252 31.901 31.700 -0.085 0.000 0.786 243 Q N -0.770 118.927 119.800 -0.172 0.000 2.172 243 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 243 Q C 1.853 177.889 176.000 0.060 0.000 0.964 243 Q CA 1.389 57.124 55.803 -0.113 0.000 0.855 243 Q CB -1.137 27.478 28.738 -0.205 0.000 0.918 243 Q HN 0.179 nan 8.270 nan 0.000 0.444 244 F N 0.324 120.310 119.950 0.059 0.000 2.187 244 F HA 0.001 4.528 4.527 -0.000 0.000 0.295 244 F C 2.397 178.238 175.800 0.069 0.000 1.091 244 F CA -0.023 58.010 58.000 0.055 0.000 1.308 244 F CB -1.422 37.608 39.000 0.051 0.000 1.030 244 F HN 0.054 nan 8.300 nan 0.000 0.487 245 Y N 1.192 121.577 120.300 0.141 0.000 2.165 245 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 245 Y C 2.418 178.350 175.900 0.054 0.000 1.155 245 Y CA 1.505 59.638 58.100 0.054 0.000 1.164 245 Y CB -0.608 37.826 38.460 -0.045 0.000 0.978 245 Y HN -0.009 nan 8.280 nan 0.000 0.513 246 A N 0.316 123.186 122.820 0.084 0.000 1.933 246 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 246 A C 2.420 180.002 177.584 -0.003 0.000 1.175 246 A CA 1.849 53.889 52.037 0.004 0.000 0.628 246 A CB -1.458 17.578 19.000 0.061 0.000 0.814 246 A HN 0.609 nan 8.150 nan 0.000 0.444 247 A N -1.008 121.855 122.820 0.072 0.000 1.898 247 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 247 A C 2.224 179.894 177.584 0.144 0.000 1.181 247 A CA 1.777 53.885 52.037 0.118 0.000 0.620 247 A CB -0.501 18.601 19.000 0.171 0.000 0.819 247 A HN 0.484 nan 8.150 nan 0.000 0.442 248 M N -0.240 119.383 119.600 0.038 0.000 2.080 248 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 248 M C 2.056 178.339 176.300 -0.028 0.000 1.068 248 M CA 1.645 56.930 55.300 -0.025 0.000 1.109 248 M CB -0.642 31.845 32.600 -0.189 0.000 1.342 248 M HN 0.460 nan 8.290 nan 0.000 0.405 249 L N -0.440 120.652 121.223 -0.218 0.000 2.131 249 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 249 L C 2.657 179.482 176.870 -0.076 0.000 1.092 249 L CA 1.090 55.803 54.840 -0.212 0.000 0.759 249 L CB -1.047 40.846 42.059 -0.278 0.000 0.903 249 L HN 0.323 nan 8.230 nan 0.000 0.435 250 A N 0.604 123.412 122.820 -0.020 0.000 1.877 250 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 250 A C 2.430 180.006 177.584 -0.012 0.000 1.186 250 A CA 1.721 53.756 52.037 -0.003 0.000 0.620 250 A CB -1.258 17.753 19.000 0.019 0.000 0.822 250 A HN 0.420 nan 8.150 nan 0.000 0.443 251 G N -0.222 108.599 108.800 0.036 0.000 2.442 251 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 251 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 251 G C 1.437 176.249 174.900 -0.146 0.000 1.141 251 G CA 1.076 46.052 45.100 -0.207 0.000 0.763 251 G HN 0.451 nan 8.290 nan 0.000 0.554 252 L N 0.354 121.568 121.223 -0.015 0.000 2.478 252 L HA 0.209 4.549 4.340 -0.000 0.000 0.223 252 L C 2.065 178.911 176.870 -0.040 0.000 1.140 252 L CA 0.413 55.200 54.840 -0.088 0.000 0.842 252 L CB -0.257 41.608 42.059 -0.323 0.000 0.953 252 L HN 0.378 nan 8.230 nan 0.000 0.452 253 G N 0.993 109.769 108.800 -0.039 0.000 2.176 253 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 253 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 253 G C 0.038 174.919 174.900 -0.032 0.000 1.024 253 G CA -0.101 44.983 45.100 -0.026 0.000 0.755 253 G HN 0.246 nan 8.290 nan 0.000 0.507 254 L N 0.493 121.682 121.223 -0.056 0.000 2.289 254 L HA 0.401 4.741 4.340 -0.000 0.000 0.285 254 L C 0.265 177.114 176.870 -0.035 0.000 1.049 254 L CA -1.020 53.789 54.840 -0.051 0.000 0.804 254 L CB 1.300 43.309 42.059 -0.083 0.000 1.195 254 L HN 0.114 nan 8.230 nan 0.000 0.428 255 D N 2.377 122.768 120.400 -0.015 0.000 2.346 255 D HA 0.138 4.778 4.640 -0.000 0.000 0.260 255 D C 0.914 177.220 176.300 0.010 0.000 1.252 255 D CA 0.100 54.099 54.000 -0.002 0.000 0.895 255 D CB 1.814 42.617 40.800 0.005 0.000 1.097 255 D HN 0.619 nan 8.370 nan 0.000 0.489 256 A N 4.392 127.222 122.820 0.016 0.000 1.948 256 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 256 A C 2.091 179.707 177.584 0.053 0.000 1.177 256 A CA 1.974 54.039 52.037 0.047 0.000 0.636 256 A CB -0.630 18.406 19.000 0.060 0.000 0.815 256 A HN 0.685 nan 8.150 nan 0.000 0.449 257 A N -1.014 121.828 122.820 0.036 0.000 2.178 257 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 257 A C 1.592 179.196 177.584 0.034 0.000 1.157 257 A CA 1.479 53.536 52.037 0.033 0.000 0.689 257 A CB -0.185 18.829 19.000 0.023 0.000 0.787 257 A HN 0.445 nan 8.150 nan 0.000 0.465 258 E N -0.894 119.327 120.200 0.034 0.000 2.498 258 E HA 0.293 4.643 4.350 -0.000 0.000 0.203 258 E C -0.111 176.517 176.600 0.046 0.000 1.013 258 E CA 0.075 56.495 56.400 0.033 0.000 0.927 258 E CB 0.247 29.961 29.700 0.023 0.000 1.012 258 E HN 0.559 nan 8.360 nan 0.000 0.482 259 L N 1.160 122.421 121.223 0.063 0.000 2.322 259 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 259 L C -2.242 174.689 176.870 0.103 0.000 1.012 259 L CA -2.335 52.559 54.840 0.089 0.000 0.815 259 L CB 1.036 43.164 42.059 0.116 0.000 1.295 259 L HN -0.266 nan 8.230 nan 0.000 0.438 260 P HA 0.082 nan 4.420 nan 0.000 0.266 260 P C -2.470 174.914 177.300 0.140 0.000 1.193 260 P CA -0.638 62.535 63.100 0.121 0.000 0.770 260 P CB -0.326 31.465 31.700 0.153 0.000 0.836 261 P HA -0.049 nan 4.420 nan 0.000 0.265 261 P C 0.936 178.296 177.300 0.101 0.000 1.187 261 P CA 0.124 63.273 63.100 0.081 0.000 0.766 261 P CB 0.351 32.072 31.700 0.035 0.000 0.820 262 Q N 2.693 122.494 119.800 0.002 0.000 2.152 262 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 262 Q C 0.300 176.430 176.000 0.216 0.000 0.985 262 Q CA 1.856 57.565 55.803 -0.158 0.000 0.863 262 Q CB -0.183 28.093 28.738 -0.770 0.000 0.904 262 Q HN 0.484 nan 8.270 nan 0.000 0.422 263 N N 0.690 119.460 118.700 0.116 0.000 2.275 263 N HA 0.036 4.776 4.740 -0.000 0.000 0.236 263 N C -1.327 174.131 175.510 -0.088 0.000 1.154 263 N CA -0.193 52.945 53.050 0.148 0.000 0.866 263 N CB 0.642 39.173 38.487 0.073 0.000 1.093 263 N HN 0.092 nan 8.380 nan 0.000 0.515 264 D N 1.038 121.387 120.400 -0.085 0.000 2.453 264 D HA 0.125 4.765 4.640 -0.000 0.000 0.223 264 D C 0.967 177.000 176.300 -0.446 0.000 1.183 264 D CA -0.062 53.825 54.000 -0.188 0.000 0.933 264 D CB 0.401 41.163 40.800 -0.064 0.000 1.038 264 D HN 0.132 nan 8.370 nan 0.000 0.513 265 R N 2.382 122.435 120.500 -0.745 0.000 2.120 265 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 265 R C 1.917 177.928 176.300 -0.482 0.000 1.123 265 R CA 1.160 56.576 56.100 -1.141 0.000 0.975 265 R CB -0.068 29.583 30.300 -1.083 0.000 0.866 265 R HN 0.416 nan 8.270 nan 0.000 0.446 266 A N 1.178 123.831 122.820 -0.278 0.000 2.076 266 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 266 A C 1.699 179.256 177.584 -0.045 0.000 1.160 266 A CA 1.254 53.214 52.037 -0.128 0.000 0.653 266 A CB -0.160 18.783 19.000 -0.095 0.000 0.801 266 A HN 0.240 nan 8.150 nan 0.000 0.455 267 R N -2.421 118.064 120.500 -0.025 0.000 2.543 267 R HA 0.069 4.409 4.340 -0.000 0.000 0.323 267 R C 0.802 177.230 176.300 0.213 0.000 1.002 267 R CA -0.440 55.706 56.100 0.077 0.000 1.106 267 R CB 0.067 30.410 30.300 0.071 0.000 1.280 267 R HN 0.592 nan 8.270 nan 0.000 0.549 268 W N 1.734 123.049 121.300 0.025 0.000 2.338 268 W HA -0.045 4.615 4.660 -0.000 0.000 0.304 268 W C -0.964 175.579 176.519 0.039 0.000 1.212 268 W CA 0.872 58.236 57.345 0.032 0.000 1.264 268 W CB -1.666 27.795 29.460 0.001 0.000 1.142 268 W HN 0.068 nan 8.180 nan 0.000 0.512 269 P HA -0.203 nan 4.420 nan 0.000 0.215 269 P C 1.536 178.913 177.300 0.128 0.000 1.153 269 P CA 2.360 65.546 63.100 0.143 0.000 0.853 269 P CB -0.143 31.618 31.700 0.102 0.000 0.788 270 E N -0.604 119.674 120.200 0.130 0.000 2.051 270 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 270 E C 1.868 178.548 176.600 0.133 0.000 0.991 270 E CA 0.903 57.371 56.400 0.112 0.000 0.799 270 E CB -0.565 29.196 29.700 0.101 0.000 0.748 270 E HN -0.019 nan 8.360 nan 0.000 0.449 271 L N 1.561 122.891 121.223 0.178 0.000 2.042 271 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 271 L C 2.475 179.448 176.870 0.173 0.000 1.076 271 L CA 1.899 56.856 54.840 0.195 0.000 0.749 271 L CB -0.573 41.654 42.059 0.280 0.000 0.893 271 L HN 0.036 nan 8.230 nan 0.000 0.432 272 R N -0.731 119.868 120.500 0.164 0.000 2.081 272 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 272 R C 2.170 178.589 176.300 0.198 0.000 1.131 272 R CA 1.275 57.486 56.100 0.186 0.000 0.960 272 R CB -0.365 29.995 30.300 0.100 0.000 0.856 272 R HN 0.513 nan 8.270 nan 0.000 0.436 273 A N 0.863 123.766 122.820 0.138 0.000 1.933 273 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 273 A C 2.126 179.773 177.584 0.105 0.000 1.175 273 A CA 1.180 53.287 52.037 0.115 0.000 0.628 273 A CB -0.424 18.628 19.000 0.086 0.000 0.814 273 A HN 0.334 nan 8.150 nan 0.000 0.444 274 L N -0.755 120.522 121.223 0.091 0.000 2.072 274 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 274 L C 2.496 179.373 176.870 0.010 0.000 1.079 274 L CA 0.872 55.741 54.840 0.050 0.000 0.752 274 L CB -0.436 41.651 42.059 0.047 0.000 0.906 274 L HN 0.364 nan 8.230 nan 0.000 0.436 275 L N -1.079 120.156 121.223 0.020 0.000 2.083 275 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 275 L C 2.575 179.427 176.870 -0.030 0.000 1.083 275 L CA 1.286 56.056 54.840 -0.117 0.000 0.752 275 L CB -1.029 40.934 42.059 -0.159 0.000 0.899 275 L HN 0.250 nan 8.230 nan 0.000 0.433 276 T N -0.729 113.953 114.554 0.213 0.000 2.708 276 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 276 T C 1.810 176.622 174.700 0.188 0.000 1.037 276 T CA 1.675 63.974 62.100 0.331 0.000 1.146 276 T CB -0.125 68.912 68.868 0.282 0.000 0.865 276 T HN 0.406 nan 8.240 nan 0.000 0.435 277 E N 0.814 121.077 120.200 0.106 0.000 2.085 277 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 277 E C 2.350 178.977 176.600 0.046 0.000 0.994 277 E CA 1.101 57.543 56.400 0.069 0.000 0.801 277 E CB -0.211 29.516 29.700 0.044 0.000 0.743 277 E HN 0.470 nan 8.360 nan 0.000 0.453 278 A N 0.389 123.183 122.820 -0.043 0.000 1.858 278 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 278 A C 1.907 179.430 177.584 -0.102 0.000 1.190 278 A CA 1.332 53.285 52.037 -0.141 0.000 0.617 278 A CB -0.904 17.863 19.000 -0.389 0.000 0.827 278 A HN 0.359 nan 8.150 nan 0.000 0.443 279 F N 0.164 120.031 119.950 -0.138 0.000 2.234 279 F HA -0.005 4.522 4.527 -0.000 0.000 0.299 279 F C 2.690 178.649 175.800 0.265 0.000 1.087 279 F CA 0.699 58.612 58.000 -0.146 0.000 1.340 279 F CB -0.471 38.339 39.000 -0.317 0.000 1.031 279 F HN 0.247 nan 8.300 nan 0.000 0.500 280 A N -0.452 122.576 122.820 0.346 0.000 2.121 280 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 280 A C 2.230 179.928 177.584 0.190 0.000 1.154 280 A CA 1.480 53.667 52.037 0.250 0.000 0.679 280 A CB -0.994 18.101 19.000 0.158 0.000 0.795 280 A HN 0.376 nan 8.150 nan 0.000 0.458 281 S N -1.202 114.626 115.700 0.213 0.000 2.489 281 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 281 S C 0.700 175.066 174.600 -0.389 0.000 0.995 281 S CA 0.138 58.310 58.200 -0.047 0.000 0.934 281 S CB -0.243 62.939 63.200 -0.030 0.000 0.771 281 S HN 0.633 nan 8.310 nan 0.000 0.522 282 H N 0.990 120.132 119.070 0.120 0.000 2.946 282 H HA 0.408 4.964 4.556 -0.000 0.000 0.365 282 H C -1.135 174.171 175.328 -0.036 0.000 1.197 282 H CA -0.667 55.252 56.048 -0.216 0.000 1.131 282 H CB 1.418 30.622 29.762 -0.931 0.000 1.849 282 H HN 0.356 nan 8.280 nan 0.000 0.555 283 D N -0.434 119.966 120.400 0.000 0.000 2.398 283 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 283 D C 1.305 177.681 176.300 0.126 0.000 1.227 283 D CA -0.566 53.471 54.000 0.062 0.000 0.980 283 D CB 1.334 42.142 40.800 0.013 0.000 1.106 283 D HN 0.455 nan 8.370 nan 0.000 0.493 284 R N -0.391 120.213 120.500 0.172 0.000 2.083 284 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 284 R C 0.815 177.226 176.300 0.184 0.000 1.137 284 R CA 1.643 57.894 56.100 0.251 0.000 0.951 284 R CB -0.233 30.143 30.300 0.126 0.000 0.851 284 R HN 0.487 nan 8.270 nan 0.000 0.434 285 D N -0.755 119.690 120.400 0.076 0.000 2.219 285 D HA -0.163 4.477 4.640 -0.000 0.000 0.205 285 D C 1.683 177.977 176.300 -0.009 0.000 0.970 285 D CA 0.789 54.812 54.000 0.038 0.000 0.851 285 D CB -0.373 40.432 40.800 0.008 0.000 0.943 285 D HN 0.403 nan 8.370 nan 0.000 0.488 286 H N -0.619 118.328 119.070 -0.204 0.000 2.319 286 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 286 H C 1.688 176.782 175.328 -0.390 0.000 1.092 286 H CA 1.629 57.422 56.048 -0.426 0.000 1.302 286 H CB -0.312 29.024 29.762 -0.709 0.000 1.373 286 H HN 0.282 nan 8.280 nan 0.000 0.497 287 W N 0.632 122.022 121.300 0.151 0.000 2.374 287 W HA -0.049 4.611 4.660 -0.000 0.000 0.288 287 W C 2.897 179.524 176.519 0.180 0.000 1.218 287 W CA 0.517 57.992 57.345 0.217 0.000 1.245 287 W CB -0.550 29.193 29.460 0.472 0.000 1.126 287 W HN 0.263 nan 8.180 nan 0.000 0.545 288 G N 0.694 109.640 108.800 0.244 0.000 2.421 288 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 288 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 288 G C 1.687 176.613 174.900 0.045 0.000 1.171 288 G CA 1.513 46.702 45.100 0.147 0.000 0.775 288 G HN 0.311 nan 8.290 nan 0.000 0.543 289 A N 0.125 122.898 122.820 -0.079 0.000 1.877 289 A HA 0.037 4.356 4.320 -0.000 0.000 0.216 289 A C 2.627 180.078 177.584 -0.222 0.000 1.186 289 A CA 1.961 53.898 52.037 -0.168 0.000 0.620 289 A CB -0.798 18.047 19.000 -0.257 0.000 0.822 289 A HN 0.270 nan 8.150 nan 0.000 0.443 290 V N -1.487 118.214 119.914 -0.354 0.000 2.287 290 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 290 V C 1.892 177.714 176.094 -0.454 0.000 1.053 290 V CA 1.868 63.877 62.300 -0.486 0.000 1.027 290 V CB -0.811 30.649 31.823 -0.604 0.000 0.646 290 V HN 0.585 nan 8.190 nan 0.000 0.447 291 F N 0.248 120.219 119.950 0.035 0.000 2.664 291 F HA 0.510 5.037 4.527 -0.000 0.000 0.301 291 F C 1.220 177.019 175.800 -0.001 0.000 1.126 291 F CA -0.018 58.002 58.000 0.033 0.000 1.373 291 F CB -0.463 38.579 39.000 0.071 0.000 1.042 291 F HN 0.020 nan 8.300 nan 0.000 0.535 292 A N 0.408 123.267 122.820 0.066 0.000 2.498 292 A HA 0.129 4.449 4.320 -0.000 0.000 0.239 292 A C 1.001 178.609 177.584 0.039 0.000 1.068 292 A CA 0.136 52.197 52.037 0.041 0.000 0.766 292 A CB -0.405 18.592 19.000 -0.006 0.000 1.003 292 A HN 0.733 nan 8.150 nan 0.000 0.497 293 N N -0.799 117.920 118.700 0.031 0.000 2.713 293 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 293 N C 0.131 175.661 175.510 0.034 0.000 1.117 293 N CA 0.870 53.933 53.050 0.021 0.000 0.770 293 N CB -1.228 37.266 38.487 0.012 0.000 1.137 293 N HN 1.018 nan 8.380 nan 0.000 0.566 294 S N -1.010 114.729 115.700 0.065 0.000 2.690 294 S HA 0.416 4.886 4.470 -0.000 0.000 0.291 294 S C 0.183 174.799 174.600 0.026 0.000 1.138 294 S CA -0.815 57.437 58.200 0.086 0.000 1.013 294 S CB 1.874 65.189 63.200 0.191 0.000 1.053 294 S HN 0.012 nan 8.310 nan 0.000 0.539 295 D N 0.996 121.411 120.400 0.024 0.000 2.370 295 D HA 0.326 4.966 4.640 -0.000 0.000 0.230 295 D C 1.523 177.757 176.300 -0.110 0.000 1.143 295 D CA 0.239 54.173 54.000 -0.109 0.000 0.834 295 D CB -0.079 40.714 40.800 -0.012 0.000 0.944 295 D HN 0.666 nan 8.370 nan 0.000 0.504 296 A N -0.538 122.271 122.820 -0.019 0.000 2.172 296 A HA -0.067 4.252 4.320 -0.000 0.000 0.216 296 A C 1.472 178.949 177.584 -0.178 0.000 1.154 296 A CA 0.162 52.165 52.037 -0.057 0.000 0.701 296 A CB -0.496 18.435 19.000 -0.114 0.000 0.789 296 A HN 0.414 nan 8.150 nan 0.000 0.465 297 C N -1.356 117.812 119.300 -0.219 0.000 4.350 297 C HA -0.101 4.359 4.460 -0.000 0.000 0.302 297 C C 0.347 175.197 174.990 -0.233 0.000 1.390 297 C CA 0.144 59.036 59.018 -0.211 0.000 2.016 297 C CB -3.266 24.391 27.740 -0.139 0.000 1.271 297 C HN 0.400 nan 8.230 nan 0.000 0.760 298 V N 1.197 120.924 119.914 -0.310 0.000 2.384 298 V HA 0.789 4.909 4.120 -0.000 0.000 0.287 298 V C 0.448 176.439 176.094 -0.172 0.000 1.020 298 V CA 0.474 62.560 62.300 -0.356 0.000 0.850 298 V CB 2.258 33.620 31.823 -0.768 0.000 0.987 298 V HN 0.612 nan 8.190 nan 0.000 0.436 299 T N 3.483 117.958 114.554 -0.132 0.000 2.903 299 T HA 0.658 5.008 4.350 -0.000 0.000 0.299 299 T C -3.161 171.518 174.700 -0.035 0.000 1.093 299 T CA -2.159 59.903 62.100 -0.064 0.000 1.002 299 T CB 2.543 71.360 68.868 -0.086 0.000 1.127 299 T HN 0.422 nan 8.240 nan 0.000 0.488 300 P HA 0.322 nan 4.420 nan 0.000 0.279 300 P C -0.557 176.739 177.300 -0.007 0.000 1.239 300 P CA -0.458 62.657 63.100 0.025 0.000 0.789 300 P CB 0.929 32.648 31.700 0.033 0.000 0.933 301 V N 5.124 125.045 119.914 0.012 0.000 2.356 301 V HA 0.125 4.245 4.120 -0.000 0.000 0.258 301 V C 0.759 176.849 176.094 -0.007 0.000 1.065 301 V CA -0.200 62.096 62.300 -0.007 0.000 0.935 301 V CB -0.198 31.642 31.823 0.028 0.000 1.061 301 V HN 0.396 nan 8.190 nan 0.000 0.484 302 L N 4.469 125.663 121.223 -0.049 0.000 2.292 302 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 302 L C 0.860 177.656 176.870 -0.124 0.000 1.065 302 L CA -0.208 54.593 54.840 -0.064 0.000 0.806 302 L CB 1.345 43.365 42.059 -0.066 0.000 1.175 302 L HN 0.667 nan 8.230 nan 0.000 0.431 303 A N 2.767 125.525 122.820 -0.104 0.000 2.366 303 A HA 0.284 4.604 4.320 -0.000 0.000 0.249 303 A C 0.886 178.386 177.584 -0.141 0.000 1.084 303 A CA -0.155 51.782 52.037 -0.166 0.000 0.794 303 A CB 0.089 19.055 19.000 -0.057 0.000 1.034 303 A HN 0.717 nan 8.150 nan 0.000 0.491 304 F N 1.387 121.329 119.950 -0.014 0.000 2.085 304 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 304 F C 2.491 178.257 175.800 -0.056 0.000 1.096 304 F CA 2.027 60.000 58.000 -0.045 0.000 1.227 304 F CB -0.423 38.562 39.000 -0.024 0.000 0.983 304 F HN 0.653 nan 8.300 nan 0.000 0.482 305 G N -0.742 108.169 108.800 0.184 0.000 2.679 305 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.212 305 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.212 305 G C 1.135 176.119 174.900 0.141 0.000 1.137 305 G CA 0.393 45.585 45.100 0.154 0.000 0.787 305 G HN 0.430 nan 8.290 nan 0.000 0.534 306 E N -0.155 120.061 120.200 0.027 0.000 2.476 306 E HA 0.113 4.463 4.350 -0.000 0.000 0.199 306 E C 2.155 178.637 176.600 -0.197 0.000 1.021 306 E CA -0.263 56.084 56.400 -0.087 0.000 0.907 306 E CB 0.528 30.182 29.700 -0.076 0.000 0.974 306 E HN 0.228 nan 8.360 nan 0.000 0.489 307 V N 2.891 122.713 119.914 -0.154 0.000 2.392 307 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 307 V C 2.432 178.312 176.094 -0.357 0.000 1.059 307 V CA 2.191 64.357 62.300 -0.224 0.000 1.051 307 V CB -0.888 30.786 31.823 -0.249 0.000 0.658 307 V HN 0.560 nan 8.190 nan 0.000 0.455 308 H N -0.663 118.076 119.070 -0.553 0.000 2.563 308 H HA 0.032 4.588 4.556 -0.000 0.000 0.272 308 H C 1.239 176.307 175.328 -0.433 0.000 1.005 308 H CA 1.016 56.583 56.048 -0.802 0.000 1.171 308 H CB -0.292 28.571 29.762 -1.498 0.000 1.351 308 H HN 0.415 nan 8.280 nan 0.000 0.602 309 N N 0.730 118.987 118.700 -0.738 0.000 2.236 309 N HA -0.021 4.719 4.740 -0.000 0.000 0.196 309 N C -0.048 175.321 175.510 -0.236 0.000 1.114 309 N CA 0.084 52.852 53.050 -0.469 0.000 0.859 309 N CB 0.593 38.809 38.487 -0.452 0.000 0.982 309 N HN 0.360 nan 8.380 nan 0.000 0.493 310 E N 1.658 121.741 120.200 -0.195 0.000 2.217 310 E HA 0.164 4.514 4.350 -0.000 0.000 0.279 310 E C -1.670 174.903 176.600 -0.045 0.000 1.068 310 E CA -2.002 54.345 56.400 -0.088 0.000 0.882 310 E CB 1.252 30.925 29.700 -0.045 0.000 1.039 310 E HN -0.003 nan 8.360 nan 0.000 0.418 311 P HA -0.208 nan 4.420 nan 0.000 0.216 311 P C 0.693 178.007 177.300 0.023 0.000 1.157 311 P CA 1.429 64.531 63.100 0.003 0.000 0.880 311 P CB 0.035 31.745 31.700 0.016 0.000 0.791 312 H N -1.019 118.042 119.070 -0.015 0.000 2.421 312 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 312 H C 1.783 177.118 175.328 0.011 0.000 1.087 312 H CA 1.268 57.314 56.048 -0.002 0.000 1.330 312 H CB -0.520 29.240 29.762 -0.003 0.000 1.388 312 H HN -0.046 nan 8.280 nan 0.000 0.526 313 I N 0.067 120.655 120.570 0.030 0.000 2.233 313 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 313 I C 2.342 178.457 176.117 -0.002 0.000 1.093 313 I CA 1.025 62.348 61.300 0.039 0.000 1.380 313 I CB -0.929 37.120 38.000 0.081 0.000 1.067 313 I HN 0.348 nan 8.210 nan 0.000 0.413 314 I N 0.910 121.458 120.570 -0.036 0.000 2.127 314 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 314 I C 2.396 178.503 176.117 -0.017 0.000 1.075 314 I CA 1.528 62.814 61.300 -0.024 0.000 1.334 314 I CB -0.399 37.581 38.000 -0.034 0.000 1.040 314 I HN 0.248 nan 8.210 nan 0.000 0.405 315 E N 0.353 120.518 120.200 -0.059 0.000 2.204 315 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 315 E C 2.000 178.549 176.600 -0.085 0.000 0.989 315 E CA 0.683 57.044 56.400 -0.065 0.000 0.824 315 E CB 0.010 29.666 29.700 -0.075 0.000 0.756 315 E HN 0.438 nan 8.360 nan 0.000 0.477 316 R N 0.424 120.843 120.500 -0.134 0.000 2.334 316 R HA 0.102 4.442 4.340 -0.000 0.000 0.216 316 R C -0.050 176.227 176.300 -0.038 0.000 0.905 316 R CA -0.060 55.970 56.100 -0.116 0.000 1.064 316 R CB 0.265 30.443 30.300 -0.203 0.000 1.046 316 R HN 0.065 nan 8.270 nan 0.000 0.508 317 N N 0.842 119.549 118.700 0.011 0.000 2.738 317 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 317 N C 0.201 175.750 175.510 0.065 0.000 1.047 317 N CA 1.052 54.150 53.050 0.081 0.000 0.707 317 N CB -1.068 37.465 38.487 0.078 0.000 0.937 317 N HN 0.201 nan 8.380 nan 0.000 0.545 318 T N -1.140 113.435 114.554 0.036 0.000 2.867 318 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 318 T C 0.605 175.144 174.700 -0.268 0.000 1.057 318 T CA 1.129 63.161 62.100 -0.112 0.000 1.136 318 T CB 0.025 68.831 68.868 -0.103 0.000 0.874 318 T HN 0.296 nan 8.240 nan 0.000 0.466 319 F N 0.113 120.153 119.950 0.151 0.000 2.556 319 F HA 0.560 5.087 4.527 -0.000 0.000 0.327 319 F C -0.320 175.767 175.800 0.478 0.000 1.059 319 F CA -1.886 56.283 58.000 0.282 0.000 0.953 319 F CB 1.333 40.463 39.000 0.217 0.000 1.227 319 F HN 0.081 nan 8.300 nan 0.000 0.478 320 Y N -1.675 118.941 120.300 0.526 0.000 2.570 320 Y HA 0.632 5.182 4.550 -0.000 0.000 0.345 320 Y C -0.859 175.171 175.900 0.216 0.000 1.014 320 Y CA -1.362 56.958 58.100 0.367 0.000 1.063 320 Y CB 1.011 39.565 38.460 0.158 0.000 1.272 320 Y HN 0.515 nan 8.280 nan 0.000 0.477 321 E N 1.756 121.821 120.200 -0.224 0.000 2.152 321 E HA 0.557 4.907 4.350 -0.000 0.000 0.285 321 E C -1.090 175.304 176.600 -0.343 0.000 1.043 321 E CA -0.519 55.477 56.400 -0.673 0.000 0.839 321 E CB 1.059 30.219 29.700 -0.901 0.000 1.069 321 E HN 0.734 nan 8.360 nan 0.000 0.399 322 A N 4.197 126.761 122.820 -0.427 0.000 2.374 322 A HA 0.301 4.621 4.320 -0.000 0.000 0.305 322 A C -0.239 177.231 177.584 -0.189 0.000 1.053 322 A CA -0.855 51.054 52.037 -0.214 0.000 0.726 322 A CB 0.877 19.744 19.000 -0.221 0.000 1.229 322 A HN 0.753 nan 8.150 nan 0.000 0.431 323 N N 0.997 119.630 118.700 -0.111 0.000 1.548 323 N HA 0.064 4.804 4.740 -0.000 0.000 0.363 323 N C 1.404 176.843 175.510 -0.119 0.000 1.241 323 N CA 2.755 55.743 53.050 -0.103 0.000 0.777 323 N CB 0.183 38.635 38.487 -0.057 0.000 0.997 323 N HN 1.825 nan 8.380 nan 0.000 0.526 324 G N 0.797 109.518 108.800 -0.132 0.000 2.258 324 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.233 324 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.233 324 G C 0.554 175.364 174.900 -0.150 0.000 1.006 324 G CA 0.175 45.204 45.100 -0.117 0.000 0.620 324 G HN 1.435 nan 8.290 nan 0.000 0.511 325 G N -1.794 106.871 108.800 -0.226 0.000 2.356 325 G HA2 0.399 4.359 3.960 -0.000 0.000 0.266 325 G HA3 0.399 4.359 3.960 -0.000 0.000 0.266 325 G C -1.249 173.428 174.900 -0.371 0.000 1.312 325 G CA -0.150 44.776 45.100 -0.291 0.000 0.922 325 G HN 0.852 nan 8.290 nan 0.000 0.480 326 W N 1.517 122.692 121.300 -0.208 0.000 2.272 326 W HA 0.671 5.331 4.660 -0.000 0.000 0.318 326 W C 0.371 176.795 176.519 -0.159 0.000 1.255 326 W CA -0.106 57.118 57.345 -0.202 0.000 1.200 326 W CB 1.096 30.421 29.460 -0.225 0.000 1.170 326 W HN 0.333 nan 8.180 nan 0.000 0.549 327 Q N 3.754 123.547 119.800 -0.012 0.000 2.413 327 Q HA 0.392 4.732 4.340 -0.000 0.000 0.276 327 Q C -2.451 173.710 176.000 0.270 0.000 1.099 327 Q CA -2.350 53.462 55.803 0.016 0.000 0.814 327 Q CB 1.726 30.270 28.738 -0.323 0.000 1.379 327 Q HN 0.155 nan 8.270 nan 0.000 0.436 328 P HA 0.109 nan 4.420 nan 0.000 0.276 328 P C -0.264 177.117 177.300 0.134 0.000 1.230 328 P CA -0.165 62.850 63.100 -0.140 0.000 0.776 328 P CB 0.621 32.200 31.700 -0.202 0.000 0.888 329 M N 3.939 123.580 119.600 0.068 0.000 2.198 329 M HA 0.237 4.717 4.480 -0.000 0.000 0.315 329 M C -1.887 174.405 176.300 -0.013 0.000 1.134 329 M CA -1.846 53.499 55.300 0.075 0.000 1.171 329 M CB -1.009 31.611 32.600 0.034 0.000 1.413 329 M HN 0.177 nan 8.290 nan 0.000 0.467 330 P HA 0.144 nan 4.420 nan 0.000 0.265 330 P C -1.317 175.975 177.300 -0.014 0.000 1.187 330 P CA 0.129 63.222 63.100 -0.011 0.000 0.766 330 P CB 0.402 32.105 31.700 0.006 0.000 0.820 331 A N 3.950 126.761 122.820 -0.014 0.000 2.435 331 A HA 0.777 5.097 4.320 -0.000 0.000 0.304 331 A C -2.363 175.215 177.584 -0.009 0.000 1.064 331 A CA -1.269 50.744 52.037 -0.041 0.000 0.727 331 A CB 0.655 19.620 19.000 -0.059 0.000 1.284 331 A HN 0.395 nan 8.150 nan 0.000 0.415 332 P HA 0.499 nan 4.420 nan 0.000 0.312 332 P C -0.787 176.287 177.300 -0.376 0.000 1.308 332 P CA -0.473 62.483 63.100 -0.240 0.000 0.743 332 P CB 0.605 32.098 31.700 -0.345 0.000 1.364 333 R N -1.131 119.091 120.500 -0.464 0.000 2.604 333 R HA 0.613 4.953 4.340 -0.000 0.000 0.287 333 R C -0.747 175.170 176.300 -0.639 0.000 0.970 333 R CA -0.423 55.453 56.100 -0.373 0.000 0.946 333 R CB 0.807 31.009 30.300 -0.164 0.000 1.127 333 R HN 0.351 nan 8.270 nan 0.000 0.473 334 F N -0.229 119.707 119.950 -0.023 0.000 2.507 334 F HA 0.183 4.710 4.527 -0.000 0.000 0.325 334 F C 1.396 177.186 175.800 -0.016 0.000 1.116 334 F CA -0.729 57.260 58.000 -0.019 0.000 0.930 334 F CB 2.163 41.151 39.000 -0.020 0.000 1.146 334 F HN 0.590 nan 8.300 nan 0.000 0.447 335 S N 1.817 117.595 115.700 0.130 0.000 2.428 335 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 335 S C 1.789 176.433 174.600 0.074 0.000 1.014 335 S CA 0.952 59.194 58.200 0.071 0.000 0.957 335 S CB -0.049 63.175 63.200 0.039 0.000 0.784 335 S HN 0.777 nan 8.310 nan 0.000 0.499 336 R N 1.275 121.831 120.500 0.092 0.000 2.164 336 R HA 0.096 4.436 4.340 -0.000 0.000 0.198 336 R C 0.149 176.475 176.300 0.043 0.000 1.028 336 R CA 1.192 57.325 56.100 0.056 0.000 1.083 336 R CB 0.200 30.526 30.300 0.043 0.000 1.026 336 R HN 0.502 nan 8.270 nan 0.000 0.514 337 T N -0.492 114.091 114.554 0.048 0.000 3.336 337 T HA 0.623 4.973 4.350 -0.000 0.000 0.384 337 T C -0.176 174.529 174.700 0.009 0.000 1.704 337 T CA -0.645 61.448 62.100 -0.012 0.000 1.334 337 T CB 1.160 69.973 68.868 -0.090 0.000 1.131 337 T HN 0.257 nan 8.240 nan 0.000 0.684 338 A N 2.462 125.314 122.820 0.054 0.000 2.425 338 A HA 0.585 4.905 4.320 -0.000 0.000 0.249 338 A C 0.760 178.368 177.584 0.040 0.000 1.084 338 A CA -0.540 51.553 52.037 0.094 0.000 0.781 338 A CB 0.095 19.134 19.000 0.066 0.000 1.019 338 A HN 0.720 nan 8.150 nan 0.000 0.490 339 S N 1.382 117.126 115.700 0.073 0.000 2.576 339 S HA 0.300 4.770 4.470 -0.000 0.000 0.276 339 S C 0.773 175.363 174.600 -0.017 0.000 1.339 339 S CA -0.417 57.790 58.200 0.012 0.000 1.039 339 S CB 0.621 63.847 63.200 0.043 0.000 0.902 339 S HN 0.776 nan 8.310 nan 0.000 0.516 340 S N 1.719 117.392 115.700 -0.045 0.000 2.614 340 S HA 0.166 4.636 4.470 -0.000 0.000 0.265 340 S C 0.222 174.751 174.600 -0.119 0.000 1.303 340 S CA -0.725 57.435 58.200 -0.067 0.000 1.000 340 S CB 0.401 63.564 63.200 -0.063 0.000 0.935 340 S HN 0.755 nan 8.310 nan 0.000 0.551 341 Q N 1.305 121.010 119.800 -0.159 0.000 2.300 341 Q HA 0.111 4.451 4.340 -0.000 0.000 0.280 341 Q C -2.421 173.394 176.000 -0.309 0.000 1.033 341 Q CA -1.343 54.273 55.803 -0.312 0.000 0.903 341 Q CB 0.029 28.590 28.738 -0.296 0.000 1.195 341 Q HN 0.218 nan 8.270 nan 0.000 0.386 342 P HA -0.042 nan 4.420 nan 0.000 0.265 342 P C -1.100 176.132 177.300 -0.113 0.000 1.187 342 P CA 0.446 63.426 63.100 -0.200 0.000 0.766 342 P CB 0.467 32.090 31.700 -0.127 0.000 0.820 343 R N 4.623 125.094 120.500 -0.049 0.000 2.347 343 R HA 0.232 4.572 4.340 -0.000 0.000 0.304 343 R C -1.879 174.433 176.300 0.019 0.000 1.072 343 R CA -1.453 54.638 56.100 -0.015 0.000 0.980 343 R CB -0.117 30.173 30.300 -0.015 0.000 0.986 343 R HN 0.439 nan 8.270 nan 0.000 0.448 344 P HA 0.123 nan 4.420 nan 0.000 0.272 344 P C -2.486 174.828 177.300 0.024 0.000 1.240 344 P CA -1.506 61.622 63.100 0.047 0.000 0.791 344 P CB -0.173 31.553 31.700 0.043 0.000 0.978 345 P HA 0.196 nan 4.420 nan 0.000 0.266 345 P C -0.573 176.729 177.300 0.004 0.000 1.195 345 P CA 0.582 63.689 63.100 0.012 0.000 0.768 345 P CB 0.162 31.869 31.700 0.012 0.000 0.838 346 A N 2.246 125.065 122.820 -0.002 0.000 2.486 346 A HA 0.783 5.103 4.320 -0.000 0.000 0.289 346 A C -0.533 177.045 177.584 -0.010 0.000 1.176 346 A CA -0.573 51.461 52.037 -0.006 0.000 0.757 346 A CB 0.836 19.830 19.000 -0.010 0.000 1.337 346 A HN 0.541 nan 8.150 nan 0.000 0.423 347 A N 0.254 123.067 122.820 -0.012 0.000 2.561 347 A HA 0.457 4.777 4.320 -0.000 0.000 0.234 347 A C 0.741 178.314 177.584 -0.018 0.000 1.055 347 A CA 0.787 52.816 52.037 -0.013 0.000 0.756 347 A CB -0.757 18.234 19.000 -0.014 0.000 0.986 347 A HN 0.951 nan 8.150 nan 0.000 0.505 348 T N 1.954 116.497 114.554 -0.017 0.000 2.937 348 T HA 0.382 4.732 4.350 -0.000 0.000 0.316 348 T C 0.540 175.222 174.700 -0.029 0.000 1.079 348 T CA 1.154 63.241 62.100 -0.023 0.000 1.131 348 T CB -0.224 68.634 68.868 -0.018 0.000 1.000 348 T HN 0.666 nan 8.240 nan 0.000 0.549 349 I N -0.914 119.631 120.570 -0.041 0.000 3.067 349 I HA 0.692 4.862 4.170 -0.000 0.000 0.312 349 I C -0.536 175.550 176.117 -0.052 0.000 1.073 349 I CA -1.417 59.855 61.300 -0.047 0.000 1.016 349 I CB 1.873 39.837 38.000 -0.059 0.000 1.227 349 I HN 0.286 nan 8.210 nan 0.000 0.456 350 D N 1.933 122.302 120.400 -0.051 0.000 2.348 350 D HA 0.182 4.822 4.640 -0.000 0.000 0.253 350 D C 0.995 177.252 176.300 -0.070 0.000 1.161 350 D CA -0.016 53.954 54.000 -0.050 0.000 0.876 350 D CB 1.115 41.891 40.800 -0.039 0.000 1.160 350 D HN 0.673 nan 8.370 nan 0.000 0.459 351 I N 3.237 123.765 120.570 -0.069 0.000 2.236 351 I HA -0.271 3.899 4.170 -0.000 0.000 0.249 351 I C 1.700 177.764 176.117 -0.089 0.000 1.102 351 I CA 1.431 62.679 61.300 -0.088 0.000 1.365 351 I CB 0.206 38.169 38.000 -0.061 0.000 1.051 351 I HN 0.505 nan 8.210 nan 0.000 0.420 352 E N 0.662 120.827 120.200 -0.059 0.000 2.204 352 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 352 E C 2.190 178.757 176.600 -0.054 0.000 0.989 352 E CA 1.116 57.489 56.400 -0.045 0.000 0.824 352 E CB -0.170 29.514 29.700 -0.026 0.000 0.756 352 E HN 0.670 nan 8.360 nan 0.000 0.477 353 A N 0.715 123.494 122.820 -0.067 0.000 1.902 353 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 353 A C 2.559 180.077 177.584 -0.110 0.000 1.181 353 A CA 1.416 53.411 52.037 -0.071 0.000 0.623 353 A CB -0.609 18.351 19.000 -0.068 0.000 0.818 353 A HN 0.142 nan 8.150 nan 0.000 0.443 354 V N 0.057 119.863 119.914 -0.180 0.000 2.343 354 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 354 V C 2.554 178.479 176.094 -0.281 0.000 1.051 354 V CA 1.938 64.037 62.300 -0.337 0.000 1.036 354 V CB -0.839 30.694 31.823 -0.484 0.000 0.654 354 V HN 0.555 nan 8.190 nan 0.000 0.451 355 L N -0.316 120.823 121.223 -0.141 0.000 2.046 355 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 355 L C 2.661 179.558 176.870 0.045 0.000 1.077 355 L CA 1.952 56.786 54.840 -0.010 0.000 0.747 355 L CB -0.971 41.090 42.059 0.004 0.000 0.896 355 L HN 0.344 nan 8.230 nan 0.000 0.432 356 T N -1.092 113.468 114.554 0.009 0.000 2.684 356 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 356 T C 1.515 176.249 174.700 0.058 0.000 1.036 356 T CA 1.778 63.895 62.100 0.028 0.000 1.148 356 T CB -0.300 68.571 68.868 0.006 0.000 0.863 356 T HN 0.364 nan 8.240 nan 0.000 0.436 357 D N -0.104 120.321 120.400 0.042 0.000 2.106 357 D HA -0.139 4.501 4.640 -0.000 0.000 0.191 357 D C 1.454 177.911 176.300 0.261 0.000 0.997 357 D CA 1.118 55.178 54.000 0.100 0.000 0.834 357 D CB -0.212 40.603 40.800 0.026 0.000 0.956 357 D HN 0.409 nan 8.370 nan 0.000 0.448 358 W N 0.743 122.040 121.300 -0.006 0.000 2.937 358 W HA 0.179 4.839 4.660 -0.000 0.000 0.245 358 W C 0.260 176.776 176.519 -0.004 0.000 1.306 358 W CA 0.724 58.066 57.345 -0.006 0.000 1.470 358 W CB -0.718 28.739 29.460 -0.005 0.000 1.132 358 W HN 0.121 nan 8.180 nan 0.000 0.675 359 D N -1.987 118.532 120.400 0.198 0.000 2.907 359 D HA -0.119 4.521 4.640 -0.000 0.000 0.226 359 D C 0.641 177.003 176.300 0.103 0.000 1.141 359 D CA 1.204 55.270 54.000 0.111 0.000 0.779 359 D CB -1.115 39.727 40.800 0.071 0.000 1.095 359 D HN 0.198 nan 8.370 nan 0.000 0.430 360 G N 0.000 108.879 108.800 0.132 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.167 45.100 0.112 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925