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_C 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 0.000 177.537 177.584 -0.078 0.000 1.274 2 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 2 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 3 G N 0.644 109.381 108.800 -0.104 0.000 2.631 3 G HA2 0.411 4.371 3.960 -0.000 0.000 0.271 3 G HA3 0.411 4.371 3.960 -0.000 0.000 0.271 3 G C -0.729 174.015 174.900 -0.260 0.000 1.302 3 G CA -0.070 44.914 45.100 -0.194 0.000 1.002 3 G HN 0.075 nan 8.290 nan 0.000 0.519 4 P HA -0.009 nan 4.420 nan 0.000 0.226 4 P C 1.286 178.438 177.300 -0.246 0.000 1.153 4 P CA 0.782 63.642 63.100 -0.399 0.000 0.777 4 P CB 0.208 31.488 31.700 -0.701 0.000 0.794 5 L N -0.721 120.371 121.223 -0.219 0.000 2.653 5 L HA 0.158 4.498 4.340 -0.000 0.000 0.231 5 L C 1.154 177.968 176.870 -0.094 0.000 1.153 5 L CA -0.219 54.543 54.840 -0.131 0.000 0.933 5 L CB -0.346 41.648 42.059 -0.109 0.000 1.175 5 L HN -0.076 nan 8.230 nan 0.000 0.473 6 S N 0.365 116.007 115.700 -0.097 0.000 2.575 6 S HA 0.221 4.691 4.470 -0.000 0.000 0.295 6 S C 1.328 175.892 174.600 -0.060 0.000 1.267 6 S CA 1.061 59.222 58.200 -0.066 0.000 1.074 6 S CB 0.391 63.553 63.200 -0.064 0.000 0.829 6 S HN 0.702 nan 8.310 nan 0.000 0.497 7 G N 3.168 111.939 108.800 -0.049 0.000 2.254 7 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 7 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 7 G C -0.007 174.837 174.900 -0.093 0.000 1.003 7 G CA 0.057 45.118 45.100 -0.065 0.000 0.622 7 G HN 0.966 nan 8.290 nan 0.000 0.507 8 L N 2.514 123.689 121.223 -0.079 0.000 2.418 8 L HA 0.620 4.960 4.340 -0.000 0.000 0.274 8 L C 0.759 177.572 176.870 -0.096 0.000 1.135 8 L CA -0.183 54.603 54.840 -0.090 0.000 0.870 8 L CB 0.318 42.339 42.059 -0.062 0.000 1.154 8 L HN 0.276 nan 8.230 nan 0.000 0.462 9 R N 4.210 124.595 120.500 -0.193 0.000 2.229 9 R HA 0.604 4.944 4.340 -0.000 0.000 0.328 9 R C -1.235 175.008 176.300 -0.095 0.000 1.009 9 R CA -0.658 55.287 56.100 -0.259 0.000 0.864 9 R CB 1.371 31.151 30.300 -0.867 0.000 1.085 9 R HN 0.449 nan 8.270 nan 0.000 0.453 10 V N 4.052 124.032 119.914 0.109 0.000 2.531 10 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 10 V C -0.284 175.939 176.094 0.216 0.000 1.034 10 V CA -0.908 61.459 62.300 0.112 0.000 0.865 10 V CB 2.100 33.961 31.823 0.064 0.000 0.995 10 V HN 0.443 nan 8.190 nan 0.000 0.424 11 V N 4.076 124.081 119.914 0.151 0.000 2.370 11 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 11 V C 0.109 176.219 176.094 0.026 0.000 1.029 11 V CA -0.418 61.950 62.300 0.115 0.000 0.870 11 V CB 1.569 33.464 31.823 0.121 0.000 0.984 11 V HN 0.953 nan 8.190 nan 0.000 0.451 12 E N 5.447 125.658 120.200 0.019 0.000 2.129 12 E HA 0.433 4.783 4.350 -0.000 0.000 0.268 12 E C -1.239 175.356 176.600 -0.008 0.000 0.900 12 E CA -0.661 55.733 56.400 -0.011 0.000 0.755 12 E CB 1.238 30.938 29.700 -0.000 0.000 1.117 12 E HN 0.638 nan 8.360 nan 0.000 0.410 13 L N 3.665 124.869 121.223 -0.032 0.000 2.278 13 L HA 0.358 4.698 4.340 -0.000 0.000 0.287 13 L C 0.562 177.425 176.870 -0.012 0.000 1.072 13 L CA -0.693 54.161 54.840 0.024 0.000 0.819 13 L CB 1.088 43.203 42.059 0.094 0.000 1.176 13 L HN 0.609 nan 8.230 nan 0.000 0.435 14 A N 3.354 126.216 122.820 0.070 0.000 2.561 14 A HA 0.442 4.761 4.320 -0.000 0.000 0.251 14 A C 0.686 178.308 177.584 0.064 0.000 1.062 14 A CA 0.799 52.874 52.037 0.064 0.000 0.761 14 A CB -0.218 18.835 19.000 0.088 0.000 0.986 14 A HN 0.898 nan 8.150 nan 0.000 0.510 15 G N 0.860 109.653 108.800 -0.011 0.000 3.166 15 G HA2 0.637 4.597 3.960 -0.000 0.000 0.267 15 G HA3 0.637 4.597 3.960 -0.000 0.000 0.267 15 G C -1.041 173.885 174.900 0.044 0.000 1.256 15 G CA -0.656 44.434 45.100 -0.016 0.000 0.859 15 G HN 0.628 nan 8.290 nan 0.000 0.590 16 I N -0.582 120.019 120.570 0.051 0.000 2.892 16 I HA 0.708 4.878 4.170 -0.000 0.000 0.306 16 I C 1.045 177.217 176.117 0.090 0.000 1.078 16 I CA 0.752 62.106 61.300 0.090 0.000 1.032 16 I CB 1.851 39.922 38.000 0.117 0.000 1.229 16 I HN 1.320 nan 8.210 nan 0.000 0.435 17 G N 4.162 113.044 108.800 0.136 0.000 2.557 17 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.292 17 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.292 17 G C -1.664 173.365 174.900 0.213 0.000 1.162 17 G CA 0.280 45.456 45.100 0.127 0.000 0.964 17 G HN 0.496 nan 8.290 nan 0.000 0.541 18 P HA -0.028 nan 4.420 nan 0.000 0.216 18 P C 2.094 179.508 177.300 0.191 0.000 1.153 18 P CA 2.820 66.024 63.100 0.173 0.000 0.848 18 P CB -0.800 30.919 31.700 0.033 0.000 0.787 19 G N 1.584 110.433 108.800 0.083 0.000 2.491 19 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 19 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 19 G C -0.562 174.382 174.900 0.074 0.000 1.180 19 G CA 1.384 46.508 45.100 0.040 0.000 0.774 19 G HN 0.305 nan 8.290 nan 0.000 0.562 20 P HA -0.079 nan 4.420 nan 0.000 0.221 20 P C 1.141 178.516 177.300 0.125 0.000 1.150 20 P CA 1.468 64.626 63.100 0.096 0.000 0.800 20 P CB -0.077 31.685 31.700 0.102 0.000 0.787 21 H N 0.742 119.877 119.070 0.108 0.000 2.363 21 H HA 0.089 4.645 4.556 -0.000 0.000 0.301 21 H C 1.987 177.347 175.328 0.053 0.000 1.074 21 H CA 1.890 57.979 56.048 0.068 0.000 1.354 21 H CB -0.561 29.282 29.762 0.134 0.000 1.397 21 H HN -0.019 nan 8.280 nan 0.000 0.516 22 A N 0.843 123.715 122.820 0.088 0.000 1.902 22 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 22 A C 2.582 180.147 177.584 -0.033 0.000 1.181 22 A CA 1.702 53.745 52.037 0.011 0.000 0.623 22 A CB -1.346 17.692 19.000 0.064 0.000 0.818 22 A HN 0.598 nan 8.150 nan 0.000 0.443 23 A N -0.669 122.147 122.820 -0.007 0.000 1.933 23 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 23 A C 2.264 179.828 177.584 -0.033 0.000 1.175 23 A CA 1.873 53.903 52.037 -0.012 0.000 0.628 23 A CB -0.564 18.438 19.000 0.004 0.000 0.814 23 A HN 0.620 nan 8.150 nan 0.000 0.444 24 M N -0.390 119.176 119.600 -0.057 0.000 2.080 24 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 24 M C 1.965 178.203 176.300 -0.103 0.000 1.068 24 M CA 2.055 57.309 55.300 -0.077 0.000 1.109 24 M CB -0.342 32.197 32.600 -0.102 0.000 1.342 24 M HN 0.446 nan 8.290 nan 0.000 0.405 25 I N 0.315 120.787 120.570 -0.164 0.000 2.315 25 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 25 I C 2.240 178.319 176.117 -0.065 0.000 1.117 25 I CA 1.007 62.228 61.300 -0.132 0.000 1.404 25 I CB -0.419 37.477 38.000 -0.174 0.000 1.071 25 I HN 0.370 nan 8.210 nan 0.000 0.419 26 L N 0.440 121.632 121.223 -0.052 0.000 2.012 26 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 26 L C 2.708 179.558 176.870 -0.033 0.000 1.073 26 L CA 1.813 56.632 54.840 -0.034 0.000 0.748 26 L CB -1.284 40.762 42.059 -0.021 0.000 0.891 26 L HN 0.324 nan 8.230 nan 0.000 0.431 27 G N -0.708 108.076 108.800 -0.027 0.000 2.422 27 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 27 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 27 G C 1.125 176.007 174.900 -0.031 0.000 1.146 27 G CA 0.789 45.878 45.100 -0.019 0.000 0.769 27 G HN 0.281 nan 8.290 nan 0.000 0.547 28 D N 0.593 120.972 120.400 -0.036 0.000 2.116 28 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 28 D C 2.352 178.631 176.300 -0.034 0.000 0.998 28 D CA 0.646 54.625 54.000 -0.034 0.000 0.836 28 D CB -0.224 40.558 40.800 -0.031 0.000 0.951 28 D HN 0.275 nan 8.370 nan 0.000 0.449 29 L N -1.125 120.073 121.223 -0.041 0.000 2.599 29 L HA 0.204 4.544 4.340 -0.000 0.000 0.230 29 L C 1.437 178.236 176.870 -0.118 0.000 1.141 29 L CA 0.570 55.359 54.840 -0.085 0.000 0.877 29 L CB -0.066 41.936 42.059 -0.096 0.000 1.009 29 L HN 0.201 nan 8.230 nan 0.000 0.447 30 G N -0.332 108.423 108.800 -0.075 0.000 2.192 30 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 30 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 30 G C 0.471 175.346 174.900 -0.042 0.000 0.999 30 G CA -0.135 44.926 45.100 -0.064 0.000 0.659 30 G HN 0.444 nan 8.290 nan 0.000 0.503 31 A N 0.231 123.029 122.820 -0.036 0.000 2.507 31 A HA 0.451 4.771 4.320 -0.000 0.000 0.235 31 A C 0.358 177.959 177.584 0.029 0.000 1.070 31 A CA 0.865 52.895 52.037 -0.011 0.000 0.768 31 A CB 0.287 19.280 19.000 -0.010 0.000 1.011 31 A HN 0.417 nan 8.150 nan 0.000 0.502 32 D N 1.695 122.138 120.400 0.072 0.000 2.441 32 D HA 0.382 5.021 4.640 -0.000 0.000 0.221 32 D C -0.809 175.629 176.300 0.231 0.000 1.156 32 D CA 0.077 54.178 54.000 0.167 0.000 0.896 32 D CB 0.310 41.262 40.800 0.253 0.000 1.028 32 D HN 0.110 nan 8.370 nan 0.000 0.509 33 V N 4.186 124.185 119.914 0.141 0.000 2.398 33 V HA 0.344 4.464 4.120 -0.000 0.000 0.286 33 V C 0.222 176.358 176.094 0.071 0.000 1.026 33 V CA -0.854 61.516 62.300 0.117 0.000 0.868 33 V CB 1.809 33.664 31.823 0.054 0.000 0.982 33 V HN 0.268 nan 8.190 nan 0.000 0.443 34 V N 5.713 125.669 119.914 0.070 0.000 2.378 34 V HA 0.486 4.606 4.120 -0.000 0.000 0.288 34 V C 0.132 176.217 176.094 -0.014 0.000 1.016 34 V CA -0.706 61.565 62.300 -0.048 0.000 0.840 34 V CB 1.530 33.214 31.823 -0.231 0.000 0.994 34 V HN 0.878 nan 8.190 nan 0.000 0.431 35 R N 5.062 125.550 120.500 -0.021 0.000 2.265 35 R HA 0.622 4.962 4.340 -0.000 0.000 0.319 35 R C -0.978 175.318 176.300 -0.007 0.000 1.006 35 R CA -0.521 55.577 56.100 -0.003 0.000 0.880 35 R CB 0.872 31.174 30.300 0.003 0.000 1.077 35 R HN 0.700 nan 8.270 nan 0.000 0.454 36 I N 4.097 124.673 120.570 0.011 0.000 2.304 36 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 36 I C 0.029 176.172 176.117 0.043 0.000 1.018 36 I CA -0.334 60.977 61.300 0.019 0.000 1.260 36 I CB 1.313 39.331 38.000 0.030 0.000 1.390 36 I HN 0.561 nan 8.210 nan 0.000 0.475 37 D N 5.809 126.228 120.400 0.032 0.000 2.392 37 D HA 0.383 5.023 4.640 -0.000 0.000 0.246 37 D C -0.112 176.210 176.300 0.037 0.000 1.013 37 D CA -0.677 53.350 54.000 0.045 0.000 0.993 37 D CB 1.725 42.545 40.800 0.033 0.000 1.219 37 D HN 0.323 nan 8.370 nan 0.000 0.538 38 R N 1.338 121.862 120.500 0.041 0.000 2.590 38 R HA 0.217 4.557 4.340 -0.000 0.000 0.274 38 R C -1.554 174.756 176.300 0.016 0.000 1.061 38 R CA -0.925 55.190 56.100 0.025 0.000 1.081 38 R CB 0.212 30.527 30.300 0.024 0.000 0.984 38 R HN 0.353 nan 8.270 nan 0.000 0.448 46 S N 5.762 121.463 115.700 0.002 0.000 2.572 46 S HA 0.356 4.826 4.470 -0.000 0.000 0.279 46 S C 0.907 175.509 174.600 0.003 0.000 1.341 46 S CA -0.042 58.161 58.200 0.005 0.000 1.043 46 S CB 0.712 63.918 63.200 0.010 0.000 0.887 46 S HN 0.720 nan 8.310 nan 0.000 0.516 47 R N 1.547 122.047 120.500 0.001 0.000 2.427 47 R HA 0.127 4.467 4.340 -0.000 0.000 0.262 47 R C -0.579 175.720 176.300 -0.002 0.000 0.943 47 R CA -0.135 55.963 56.100 -0.004 0.000 1.081 47 R CB 0.036 30.331 30.300 -0.010 0.000 1.166 47 R HN 0.563 nan 8.270 nan 0.000 0.534 48 D N 0.568 120.972 120.400 0.007 0.000 2.411 48 D HA 0.144 4.784 4.640 -0.000 0.000 0.225 48 D C 0.900 177.210 176.300 0.017 0.000 1.156 48 D CA -0.230 53.777 54.000 0.012 0.000 0.874 48 D CB 1.364 42.177 40.800 0.022 0.000 1.034 48 D HN 0.110 nan 8.370 nan 0.000 0.502 49 A N 4.481 127.309 122.820 0.012 0.000 2.070 49 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 49 A C 2.032 179.639 177.584 0.039 0.000 1.159 49 A CA 1.003 53.055 52.037 0.025 0.000 0.656 49 A CB -0.580 18.425 19.000 0.009 0.000 0.800 49 A HN 0.737 nan 8.150 nan 0.000 0.453 50 M N -0.553 119.068 119.600 0.035 0.000 2.374 50 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 50 M C 0.729 177.051 176.300 0.038 0.000 1.067 50 M CA 1.322 56.647 55.300 0.043 0.000 1.103 50 M CB -0.192 32.443 32.600 0.059 0.000 1.402 50 M HN 0.349 nan 8.290 nan 0.000 0.444 51 L N 1.738 122.981 121.223 0.034 0.000 2.660 51 L HA 0.091 4.431 4.340 -0.000 0.000 0.238 51 L C 0.924 177.808 176.870 0.024 0.000 1.161 51 L CA -0.392 54.465 54.840 0.028 0.000 0.937 51 L CB -1.108 40.967 42.059 0.025 0.000 1.122 51 L HN 0.361 nan 8.230 nan 0.000 0.435 52 R N -0.255 120.265 120.500 0.032 0.000 2.784 52 R HA -0.016 4.324 4.340 -0.000 0.000 0.266 52 R C -0.008 176.302 176.300 0.016 0.000 1.044 52 R CA -0.298 55.823 56.100 0.034 0.000 1.151 52 R CB 0.069 30.409 30.300 0.066 0.000 1.037 52 R HN 0.128 nan 8.270 nan 0.000 0.478 53 N N 0.540 119.245 118.700 0.008 0.000 2.740 53 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 53 N C -1.173 174.338 175.510 0.002 0.000 1.062 53 N CA 1.233 54.282 53.050 -0.002 0.000 0.704 53 N CB -0.510 37.971 38.487 -0.011 0.000 0.968 53 N HN 0.622 nan 8.380 nan 0.000 0.547 54 R N 0.024 120.525 120.500 0.002 0.000 2.888 54 R HA 0.546 4.886 4.340 -0.000 0.000 0.264 54 R C 0.325 176.616 176.300 -0.014 0.000 1.045 54 R CA -0.698 55.402 56.100 -0.001 0.000 0.962 54 R CB 1.284 31.583 30.300 -0.001 0.000 1.210 54 R HN 0.053 nan 8.270 nan 0.000 0.479 55 R N 0.705 121.187 120.500 -0.031 0.000 2.460 55 R HA 0.519 4.859 4.340 -0.000 0.000 0.303 55 R C -0.198 176.070 176.300 -0.054 0.000 0.968 55 R CA -0.785 55.282 56.100 -0.055 0.000 0.889 55 R CB 1.213 31.455 30.300 -0.097 0.000 1.123 55 R HN 0.347 nan 8.270 nan 0.000 0.455 56 I N 4.416 124.959 120.570 -0.045 0.000 2.336 56 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 56 I C 0.495 176.584 176.117 -0.047 0.000 0.991 56 I CA -0.594 60.685 61.300 -0.035 0.000 1.227 56 I CB 1.187 39.176 38.000 -0.018 0.000 1.366 56 I HN 0.413 nan 8.210 nan 0.000 0.466 57 V N 2.911 122.797 119.914 -0.047 0.000 3.164 57 V HA 0.819 4.939 4.120 -0.000 0.000 0.313 57 V C -0.342 175.738 176.094 -0.024 0.000 1.188 57 V CA -0.494 61.778 62.300 -0.047 0.000 1.058 57 V CB 2.175 33.955 31.823 -0.072 0.000 1.110 57 V HN 0.750 nan 8.190 nan 0.000 0.453 58 T N 0.626 115.167 114.554 -0.021 0.000 2.952 58 T HA 0.857 5.207 4.350 -0.000 0.000 0.305 58 T C -0.837 173.860 174.700 -0.006 0.000 1.064 58 T CA 0.255 62.351 62.100 -0.007 0.000 1.008 58 T CB 1.313 70.177 68.868 -0.007 0.000 1.078 58 T HN 1.734 nan 8.240 nan 0.000 0.459 59 A N 2.622 125.443 122.820 0.003 0.000 2.566 59 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 59 A C -1.451 176.136 177.584 0.006 0.000 1.059 59 A CA -0.754 51.285 52.037 0.003 0.000 0.691 59 A CB 1.538 20.541 19.000 0.005 0.000 1.282 59 A HN 0.691 nan 8.150 nan 0.000 0.401 60 D N 2.549 122.951 120.400 0.003 0.000 2.374 60 D HA 0.319 4.958 4.640 -0.000 0.000 0.240 60 D C 0.876 177.176 176.300 0.001 0.000 1.229 60 D CA -0.184 53.816 54.000 0.000 0.000 0.895 60 D CB 0.200 40.998 40.800 -0.002 0.000 1.046 60 D HN 0.413 nan 8.370 nan 0.000 0.498 61 L N 2.949 124.172 121.223 0.000 0.000 2.362 61 L HA -0.072 4.268 4.340 -0.000 0.000 0.219 61 L C 1.999 178.868 176.870 -0.002 0.000 1.134 61 L CA 0.771 55.613 54.840 0.004 0.000 0.807 61 L CB -0.154 41.910 42.059 0.007 0.000 0.927 61 L HN 0.302 nan 8.230 nan 0.000 0.447 62 K N -0.156 120.237 120.400 -0.011 0.000 2.459 62 K HA 0.019 4.339 4.320 -0.000 0.000 0.193 62 K C 1.045 177.643 176.600 -0.003 0.000 1.030 62 K CA 0.112 56.393 56.287 -0.010 0.000 1.026 62 K CB 0.194 32.683 32.500 -0.018 0.000 0.809 62 K HN 0.308 nan 8.250 nan 0.000 0.504 63 S N 0.036 115.735 115.700 -0.001 0.000 2.672 63 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 63 S C 0.482 175.085 174.600 0.005 0.000 1.207 63 S CA -0.808 57.393 58.200 0.002 0.000 1.002 63 S CB 1.482 64.683 63.200 0.001 0.000 0.998 63 S HN -0.069 nan 8.310 nan 0.000 0.542 64 D N 0.644 121.048 120.400 0.006 0.000 2.097 64 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 64 D C 1.897 178.202 176.300 0.009 0.000 0.989 64 D CA 1.417 55.422 54.000 0.008 0.000 0.827 64 D CB -0.325 40.479 40.800 0.007 0.000 0.966 64 D HN 0.732 nan 8.370 nan 0.000 0.456 65 Q N 0.156 119.960 119.800 0.007 0.000 2.050 65 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 65 Q C 2.178 178.183 176.000 0.008 0.000 0.980 65 Q CA 1.677 57.484 55.803 0.007 0.000 0.840 65 Q CB -0.353 28.387 28.738 0.004 0.000 0.898 65 Q HN 0.297 nan 8.270 nan 0.000 0.424 66 G N 1.320 110.124 108.800 0.007 0.000 2.440 66 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 66 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 66 G C 1.369 176.279 174.900 0.016 0.000 1.154 66 G CA 0.956 46.061 45.100 0.009 0.000 0.767 66 G HN 0.373 nan 8.290 nan 0.000 0.552 67 L N 0.673 121.906 121.223 0.018 0.000 1.989 67 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 67 L C 2.577 179.464 176.870 0.029 0.000 1.071 67 L CA 2.731 57.586 54.840 0.026 0.000 0.749 67 L CB -0.854 41.219 42.059 0.024 0.000 0.890 67 L HN 0.415 nan 8.230 nan 0.000 0.431 68 E N -0.745 119.469 120.200 0.023 0.000 2.118 68 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 68 E C 2.245 178.861 176.600 0.027 0.000 0.992 68 E CA 1.628 58.042 56.400 0.025 0.000 0.804 68 E CB -0.202 29.509 29.700 0.019 0.000 0.741 68 E HN 0.598 nan 8.360 nan 0.000 0.458 69 L N -0.063 121.173 121.223 0.021 0.000 2.072 69 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 69 L C 2.573 179.459 176.870 0.026 0.000 1.079 69 L CA 0.912 55.762 54.840 0.018 0.000 0.752 69 L CB -0.358 41.705 42.059 0.006 0.000 0.906 69 L HN 0.191 nan 8.230 nan 0.000 0.436 70 A N 0.071 122.909 122.820 0.031 0.000 1.902 70 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 70 A C 2.234 179.854 177.584 0.059 0.000 1.181 70 A CA 1.386 53.448 52.037 0.042 0.000 0.623 70 A CB -0.694 18.333 19.000 0.044 0.000 0.818 70 A HN 0.343 nan 8.150 nan 0.000 0.443 71 L N -0.781 120.477 121.223 0.057 0.000 2.083 71 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 71 L C 2.581 179.492 176.870 0.070 0.000 1.083 71 L CA 1.558 56.437 54.840 0.065 0.000 0.752 71 L CB -0.334 41.758 42.059 0.056 0.000 0.899 71 L HN 0.365 nan 8.230 nan 0.000 0.433 72 K N -0.403 120.035 120.400 0.063 0.000 2.057 72 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 72 K C 2.039 178.706 176.600 0.112 0.000 1.049 72 K CA 1.112 57.442 56.287 0.072 0.000 0.931 72 K CB -0.209 32.325 32.500 0.056 0.000 0.714 72 K HN 0.072 nan 8.250 nan 0.000 0.440 73 L N 1.505 122.798 121.223 0.116 0.000 1.994 73 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 73 L C 2.020 179.045 176.870 0.258 0.000 1.071 73 L CA 1.560 56.514 54.840 0.191 0.000 0.745 73 L CB -0.273 41.847 42.059 0.102 0.000 0.892 73 L HN 0.135 nan 8.230 nan 0.000 0.431 74 I N -0.639 120.026 120.570 0.160 0.000 2.335 74 I HA -0.319 3.851 4.170 -0.000 0.000 0.251 74 I C 2.451 178.623 176.117 0.092 0.000 1.129 74 I CA 1.130 62.503 61.300 0.122 0.000 1.402 74 I CB -0.563 37.489 38.000 0.086 0.000 1.069 74 I HN 0.339 nan 8.210 nan 0.000 0.424 75 A N -0.007 122.867 122.820 0.090 0.000 2.070 75 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 75 A C 2.034 179.638 177.584 0.033 0.000 1.159 75 A CA 1.388 53.460 52.037 0.058 0.000 0.656 75 A CB -0.152 18.883 19.000 0.057 0.000 0.800 75 A HN 0.191 nan 8.150 nan 0.000 0.453 76 K N -0.584 119.848 120.400 0.054 0.000 2.358 76 K HA 0.408 4.728 4.320 -0.000 0.000 0.200 76 K C 0.447 176.896 176.600 -0.252 0.000 1.030 76 K CA 0.587 56.849 56.287 -0.042 0.000 1.097 76 K CB 0.147 32.693 32.500 0.076 0.000 0.862 76 K HN 0.424 nan 8.250 nan 0.000 0.534 77 A N 0.824 123.551 122.820 -0.156 0.000 2.264 77 A HA 0.307 4.627 4.320 -0.000 0.000 0.304 77 A C 0.433 177.914 177.584 -0.171 0.000 1.100 77 A CA -0.388 51.503 52.037 -0.242 0.000 0.839 77 A CB 0.689 19.671 19.000 -0.030 0.000 1.121 77 A HN 0.012 nan 8.150 nan 0.000 0.496 78 D N -0.813 119.484 120.400 -0.171 0.000 2.323 78 D HA 0.171 4.811 4.640 -0.000 0.000 0.218 78 D C -0.102 176.167 176.300 -0.052 0.000 0.973 78 D CA 1.295 55.232 54.000 -0.104 0.000 0.890 78 D CB 0.593 41.326 40.800 -0.111 0.000 1.011 78 D HN 0.216 nan 8.370 nan 0.000 0.499 79 V N 1.350 121.237 119.914 -0.045 0.000 2.841 79 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 79 V C -1.100 174.970 176.094 -0.039 0.000 1.090 79 V CA -0.955 61.328 62.300 -0.029 0.000 0.930 79 V CB 3.002 34.813 31.823 -0.020 0.000 1.014 79 V HN -0.076 nan 8.190 nan 0.000 0.425 80 L N 4.866 126.033 121.223 -0.094 0.000 2.385 80 L HA 0.727 5.067 4.340 -0.000 0.000 0.273 80 L C -0.984 175.759 176.870 -0.212 0.000 0.990 80 L CA -0.017 54.720 54.840 -0.172 0.000 0.821 80 L CB 1.519 43.382 42.059 -0.327 0.000 1.279 80 L HN 0.584 nan 8.230 nan 0.000 0.412 81 I N 4.135 124.613 120.570 -0.154 0.000 2.404 81 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 81 I C -0.870 175.142 176.117 -0.175 0.000 0.992 81 I CA -0.493 60.724 61.300 -0.137 0.000 1.149 81 I CB 1.933 39.891 38.000 -0.071 0.000 1.315 81 I HN 0.739 nan 8.210 nan 0.000 0.446 82 E N 3.955 124.043 120.200 -0.186 0.000 2.331 82 E HA 0.655 5.005 4.350 -0.000 0.000 0.275 82 E C -0.549 175.899 176.600 -0.253 0.000 0.895 82 E CA -0.883 55.368 56.400 -0.248 0.000 0.753 82 E CB 1.803 31.422 29.700 -0.136 0.000 1.216 82 E HN 0.576 nan 8.360 nan 0.000 0.434 83 G N 2.122 110.641 108.800 -0.467 0.000 4.716 83 G HA2 0.265 4.225 3.960 -0.000 0.000 0.282 83 G HA3 0.265 4.225 3.960 -0.000 0.000 0.282 83 G C -0.998 173.729 174.900 -0.288 0.000 1.173 83 G CA -0.331 44.588 45.100 -0.302 0.000 0.913 83 G HN 0.372 nan 8.290 nan 0.000 0.566 84 Y N 0.156 120.475 120.300 0.031 0.000 2.408 84 Y HA 0.498 5.048 4.550 -0.000 0.000 0.324 84 Y C 1.275 177.197 175.900 0.037 0.000 1.302 84 Y CA -1.167 56.954 58.100 0.035 0.000 1.384 84 Y CB 0.958 39.444 38.460 0.043 0.000 1.367 84 Y HN -0.079 nan 8.280 nan 0.000 0.525 85 R N 1.485 122.120 120.500 0.225 0.000 2.697 85 R HA 0.028 4.368 4.340 -0.000 0.000 0.265 85 R C -2.493 173.892 176.300 0.141 0.000 1.009 85 R CA -1.366 54.822 56.100 0.147 0.000 1.099 85 R CB -0.406 29.967 30.300 0.122 0.000 0.965 85 R HN 0.260 nan 8.270 nan 0.000 0.428 86 P HA -0.086 nan 4.420 nan 0.000 0.265 86 P C 0.599 177.948 177.300 0.082 0.000 1.187 86 P CA 1.110 64.266 63.100 0.093 0.000 0.766 86 P CB 0.604 32.347 31.700 0.072 0.000 0.820 87 G N 0.845 109.691 108.800 0.076 0.000 2.258 87 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.233 87 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.233 87 G C 1.038 175.976 174.900 0.063 0.000 1.006 87 G CA 0.233 45.368 45.100 0.057 0.000 0.620 87 G HN 0.397 nan 8.290 nan 0.000 0.511 88 V N 1.978 121.945 119.914 0.088 0.000 2.237 88 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 88 V C 3.268 179.402 176.094 0.068 0.000 1.046 88 V CA 3.665 65.999 62.300 0.057 0.000 1.007 88 V CB -1.155 30.698 31.823 0.049 0.000 0.638 88 V HN 0.916 nan 8.190 nan 0.000 0.445 89 T N -1.711 112.939 114.554 0.161 0.000 2.788 89 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 89 T C 1.644 176.416 174.700 0.121 0.000 1.044 89 T CA 1.665 63.870 62.100 0.176 0.000 1.139 89 T CB -0.431 68.616 68.868 0.300 0.000 0.867 89 T HN 0.446 nan 8.240 nan 0.000 0.454 90 E N 1.282 121.538 120.200 0.094 0.000 2.070 90 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 90 E C 2.520 179.144 176.600 0.039 0.000 1.004 90 E CA 1.321 57.752 56.400 0.051 0.000 0.805 90 E CB -0.264 29.454 29.700 0.030 0.000 0.744 90 E HN 0.520 nan 8.360 nan 0.000 0.451 91 R N -0.140 120.380 120.500 0.033 0.000 2.115 91 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 91 R C 2.214 178.523 176.300 0.015 0.000 1.111 91 R CA 0.823 56.933 56.100 0.017 0.000 0.976 91 R CB -0.231 30.074 30.300 0.008 0.000 0.870 91 R HN 0.217 nan 8.270 nan 0.000 0.445 92 L N -0.677 120.559 121.223 0.021 0.000 2.376 92 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 92 L C 1.169 178.060 176.870 0.034 0.000 1.133 92 L CA 0.748 55.600 54.840 0.020 0.000 0.816 92 L CB -0.072 42.000 42.059 0.021 0.000 0.933 92 L HN 0.478 nan 8.230 nan 0.000 0.449 93 G N 0.213 109.040 108.800 0.044 0.000 2.142 93 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.225 93 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.225 93 G C 0.340 175.284 174.900 0.073 0.000 1.015 93 G CA -0.053 45.076 45.100 0.048 0.000 0.716 93 G HN 0.300 nan 8.290 nan 0.000 0.508 94 L N 0.616 121.902 121.223 0.104 0.000 3.202 94 L HA 0.420 4.760 4.340 -0.000 0.000 0.278 94 L C 1.563 178.587 176.870 0.258 0.000 1.268 94 L CA -0.048 54.888 54.840 0.160 0.000 1.034 94 L CB 0.434 42.583 42.059 0.149 0.000 1.407 94 L HN 0.326 nan 8.230 nan 0.000 0.581 95 G N 0.226 109.121 108.800 0.159 0.000 2.572 95 G HA2 0.226 4.186 3.960 -0.000 0.000 0.261 95 G HA3 0.226 4.186 3.960 -0.000 0.000 0.261 95 G C -1.845 173.011 174.900 -0.073 0.000 1.197 95 G CA -0.821 44.321 45.100 0.069 0.000 0.870 95 G HN -0.028 nan 8.290 nan 0.000 0.548 96 P HA -0.101 nan 4.420 nan 0.000 0.216 96 P C 1.452 178.640 177.300 -0.186 0.000 1.150 96 P CA 1.332 64.061 63.100 -0.618 0.000 0.843 96 P CB 0.271 31.520 31.700 -0.751 0.000 0.787 97 E N -0.760 119.364 120.200 -0.126 0.000 2.150 97 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 97 E C 1.952 178.545 176.600 -0.012 0.000 0.985 97 E CA 0.693 57.059 56.400 -0.055 0.000 0.814 97 E CB -0.266 29.407 29.700 -0.045 0.000 0.752 97 E HN 0.272 nan 8.360 nan 0.000 0.466 98 E N 0.173 120.377 120.200 0.008 0.000 2.072 98 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 98 E C 2.183 178.820 176.600 0.061 0.000 0.982 98 E CA 0.628 57.050 56.400 0.038 0.000 0.803 98 E CB -0.335 29.396 29.700 0.051 0.000 0.755 98 E HN 0.290 nan 8.360 nan 0.000 0.453 99 C N 0.894 120.253 119.300 0.099 0.000 2.435 99 C HA 0.001 4.461 4.460 -0.000 0.000 0.279 99 C C 2.765 177.810 174.990 0.091 0.000 1.321 99 C CA 0.633 59.731 59.018 0.133 0.000 1.752 99 C CB -0.990 26.908 27.740 0.264 0.000 1.959 99 C HN 0.446 nan 8.230 nan 0.000 0.500 100 A N 0.598 123.454 122.820 0.060 0.000 2.076 100 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 100 A C 2.103 179.704 177.584 0.028 0.000 1.160 100 A CA 1.459 53.518 52.037 0.036 0.000 0.653 100 A CB -0.418 18.588 19.000 0.010 0.000 0.801 100 A HN 0.729 nan 8.150 nan 0.000 0.455 101 K N -0.435 119.982 120.400 0.029 0.000 2.288 101 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 101 K C 1.493 178.109 176.600 0.026 0.000 1.048 101 K CA 1.435 57.736 56.287 0.023 0.000 0.956 101 K CB -0.071 32.442 32.500 0.022 0.000 0.746 101 K HN 0.565 nan 8.250 nan 0.000 0.461 102 V N -2.959 116.977 119.914 0.036 0.000 3.661 102 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 102 V C 0.102 176.214 176.094 0.031 0.000 1.315 102 V CA -0.199 62.121 62.300 0.035 0.000 1.072 102 V CB -0.238 31.611 31.823 0.043 0.000 0.830 102 V HN 0.234 nan 8.190 nan 0.000 0.443 103 N N 1.349 120.070 118.700 0.034 0.000 3.112 103 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 103 N C -0.262 175.266 175.510 0.030 0.000 1.385 103 N CA 0.420 53.487 53.050 0.027 0.000 0.790 103 N CB 1.009 39.516 38.487 0.032 0.000 1.563 103 N HN 0.351 nan 8.380 nan 0.000 0.613 104 D N 1.937 122.347 120.400 0.018 0.000 2.349 104 D HA -0.035 4.605 4.640 -0.000 0.000 0.224 104 D C 0.854 177.161 176.300 0.012 0.000 1.029 104 D CA 0.313 54.323 54.000 0.016 0.000 0.879 104 D CB 0.157 40.962 40.800 0.008 0.000 0.906 104 D HN 0.495 nan 8.370 nan 0.000 0.528 105 R N -0.571 119.932 120.500 0.005 0.000 2.334 105 R HA 0.212 4.552 4.340 -0.000 0.000 0.216 105 R C 0.240 176.544 176.300 0.006 0.000 0.905 105 R CA -0.624 55.474 56.100 -0.004 0.000 1.064 105 R CB 0.186 30.472 30.300 -0.023 0.000 1.046 105 R HN 0.106 nan 8.270 nan 0.000 0.508 106 L N 2.085 123.324 121.223 0.027 0.000 2.455 106 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 106 L C -0.272 176.638 176.870 0.068 0.000 1.174 106 L CA 0.291 55.157 54.840 0.043 0.000 0.869 106 L CB 0.469 42.575 42.059 0.079 0.000 1.130 106 L HN -0.038 nan 8.230 nan 0.000 0.474 107 I N 6.402 127.002 120.570 0.050 0.000 2.301 107 I HA 0.058 4.228 4.170 -0.000 0.000 0.292 107 I C -0.477 175.696 176.117 0.093 0.000 1.046 107 I CA -0.120 61.223 61.300 0.072 0.000 1.282 107 I CB -0.304 37.723 38.000 0.044 0.000 1.409 107 I HN 0.568 nan 8.210 nan 0.000 0.484 108 Y N 5.753 126.064 120.300 0.019 0.000 2.535 108 Y HA 0.550 5.100 4.550 -0.000 0.000 0.349 108 Y C 0.324 176.237 175.900 0.022 0.000 0.992 108 Y CA -0.624 57.490 58.100 0.023 0.000 1.248 108 Y CB 0.872 39.347 38.460 0.024 0.000 1.124 108 Y HN 0.672 nan 8.280 nan 0.000 0.520 109 A N 7.581 130.425 122.820 0.040 0.000 2.249 109 A HA 0.586 4.906 4.320 -0.000 0.000 0.314 109 A C -0.607 177.009 177.584 0.054 0.000 1.290 109 A CA -0.853 51.221 52.037 0.063 0.000 0.893 109 A CB 0.320 19.328 19.000 0.013 0.000 1.165 109 A HN 0.856 nan 8.150 nan 0.000 0.530 110 R N 2.463 123.033 120.500 0.117 0.000 2.288 110 R HA 0.411 4.751 4.340 -0.000 0.000 0.326 110 R C -0.993 175.326 176.300 0.032 0.000 0.959 110 R CA -0.533 55.626 56.100 0.098 0.000 0.834 110 R CB 1.501 31.896 30.300 0.160 0.000 1.157 110 R HN 0.703 nan 8.270 nan 0.000 0.470 111 M N 3.244 122.836 119.600 -0.013 0.000 2.047 111 M HA 0.199 4.679 4.480 -0.000 0.000 0.342 111 M C -0.617 175.629 176.300 -0.091 0.000 1.058 111 M CA 0.015 55.288 55.300 -0.046 0.000 0.991 111 M CB 1.157 33.730 32.600 -0.044 0.000 1.474 111 M HN 0.708 nan 8.290 nan 0.000 0.419 112 T N 0.756 115.229 114.554 -0.134 0.000 2.831 112 T HA 0.781 5.131 4.350 -0.000 0.000 0.287 112 T C 0.659 175.080 174.700 -0.465 0.000 1.070 112 T CA -0.443 61.526 62.100 -0.218 0.000 1.010 112 T CB 1.261 70.057 68.868 -0.119 0.000 1.264 112 T HN 0.512 nan 8.240 nan 0.000 0.532 113 G N -1.000 107.295 108.800 -0.843 0.000 2.447 113 G HA2 0.077 4.037 3.960 -0.000 0.000 0.211 113 G HA3 0.077 4.037 3.960 -0.000 0.000 0.211 113 G C 0.677 174.919 174.900 -1.096 0.000 1.184 113 G CA -0.304 43.632 45.100 -1.939 0.000 0.813 113 G HN 0.811 nan 8.290 nan 0.000 0.540 114 W N 0.676 121.753 121.300 -0.371 0.000 3.211 114 W HA 0.468 5.128 4.660 -0.000 0.000 0.292 114 W C 1.299 177.758 176.519 -0.101 0.000 1.268 114 W CA 0.086 57.349 57.345 -0.136 0.000 1.702 114 W CB 0.664 30.120 29.460 -0.007 0.000 1.092 114 W HN 0.547 nan 8.180 nan 0.000 0.643 115 G N 0.605 109.443 108.800 0.065 0.000 2.631 115 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.504 115 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.504 115 G C 0.220 175.156 174.900 0.059 0.000 1.306 115 G CA -0.385 44.740 45.100 0.042 0.000 0.897 115 G HN -0.006 nan 8.290 nan 0.000 0.520 116 Q N -0.322 119.502 119.800 0.040 0.000 2.402 116 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 116 Q C 1.607 177.628 176.000 0.035 0.000 0.919 116 Q CA 1.834 57.660 55.803 0.038 0.000 0.923 116 Q CB 0.465 29.218 28.738 0.024 0.000 1.048 116 Q HN 1.232 nan 8.270 nan 0.000 0.515 117 T N -4.266 110.307 114.554 0.031 0.000 2.754 117 T HA 0.727 5.077 4.350 -0.000 0.000 0.296 117 T C 0.049 174.756 174.700 0.013 0.000 1.205 117 T CA -0.317 61.794 62.100 0.018 0.000 1.009 117 T CB 2.213 71.084 68.868 0.005 0.000 1.368 117 T HN 0.269 nan 8.240 nan 0.000 0.509 118 G N 0.894 109.689 108.800 -0.007 0.000 2.619 118 G HA2 0.121 4.081 3.960 -0.000 0.000 0.686 118 G HA3 0.121 4.081 3.960 -0.000 0.000 0.686 118 G C -2.200 172.668 174.900 -0.054 0.000 1.256 118 G CA -0.254 44.828 45.100 -0.029 0.000 0.826 118 G HN 0.731 nan 8.290 nan 0.000 0.619 119 P HA -0.056 nan 4.420 nan 0.000 0.220 119 P C 1.386 178.591 177.300 -0.160 0.000 1.148 119 P CA 1.096 64.133 63.100 -0.104 0.000 0.803 119 P CB 0.071 31.706 31.700 -0.109 0.000 0.782 120 R N -0.262 120.083 120.500 -0.258 0.000 2.334 120 R HA 0.111 4.451 4.340 -0.000 0.000 0.216 120 R C 2.289 178.449 176.300 -0.233 0.000 0.905 120 R CA 0.589 56.422 56.100 -0.445 0.000 1.064 120 R CB -0.308 29.342 30.300 -1.084 0.000 1.046 120 R HN 0.243 nan 8.270 nan 0.000 0.508 121 S N 0.727 116.403 115.700 -0.041 0.000 2.440 121 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 121 S C 1.600 176.285 174.600 0.141 0.000 1.010 121 S CA 0.911 59.180 58.200 0.115 0.000 0.972 121 S CB 0.032 63.278 63.200 0.076 0.000 0.774 121 S HN 0.205 nan 8.310 nan 0.000 0.501 122 Q N 0.838 120.687 119.800 0.082 0.000 2.319 122 Q HA 0.288 4.628 4.340 -0.000 0.000 0.202 122 Q C -0.019 176.051 176.000 0.116 0.000 0.896 122 Q CA 0.169 56.027 55.803 0.091 0.000 0.942 122 Q CB 0.183 28.950 28.738 0.049 0.000 1.083 122 Q HN 0.741 nan 8.270 nan 0.000 0.510 123 Q N 0.299 120.191 119.800 0.155 0.000 2.261 123 Q HA 0.485 4.825 4.340 -0.000 0.000 0.252 123 Q C -0.369 175.816 176.000 0.309 0.000 0.915 123 Q CA -0.369 55.544 55.803 0.184 0.000 0.915 123 Q CB 1.342 30.139 28.738 0.098 0.000 1.204 123 Q HN 0.123 nan 8.270 nan 0.000 0.421 124 A N 1.804 124.743 122.820 0.198 0.000 2.406 124 A HA 0.649 4.969 4.320 -0.000 0.000 0.243 124 A C 0.392 178.075 177.584 0.165 0.000 1.082 124 A CA 0.686 52.811 52.037 0.147 0.000 0.786 124 A CB 0.333 19.382 19.000 0.081 0.000 1.029 124 A HN 0.810 nan 8.150 nan 0.000 0.495 125 G N -0.160 108.627 108.800 -0.023 0.000 2.495 125 G HA2 0.566 4.526 3.960 -0.000 0.000 0.294 125 G HA3 0.566 4.526 3.960 -0.000 0.000 0.294 125 G C -1.313 173.208 174.900 -0.632 0.000 1.397 125 G CA -0.658 44.301 45.100 -0.235 0.000 0.790 125 G HN 0.849 nan 8.290 nan 0.000 0.486 126 H N -0.953 117.797 119.070 -0.533 0.000 2.931 126 H HA 0.351 4.907 4.556 -0.000 0.000 0.331 126 H C 0.642 175.571 175.328 -0.665 0.000 1.273 126 H CA -0.239 55.579 56.048 -0.384 0.000 1.171 126 H CB 2.327 31.981 29.762 -0.181 0.000 1.898 126 H HN 0.635 nan 8.280 nan 0.000 0.562 127 D N 0.833 121.148 120.400 -0.143 0.000 2.154 127 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 127 D C 1.833 178.018 176.300 -0.192 0.000 1.003 127 D CA 1.569 55.503 54.000 -0.110 0.000 0.849 127 D CB 0.046 40.793 40.800 -0.089 0.000 0.942 127 D HN 0.518 nan 8.370 nan 0.000 0.446 128 I N 0.156 120.634 120.570 -0.153 0.000 2.335 128 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 128 I C 1.642 177.683 176.117 -0.127 0.000 1.129 128 I CA 1.277 62.518 61.300 -0.098 0.000 1.402 128 I CB -0.129 37.836 38.000 -0.058 0.000 1.069 128 I HN 0.054 nan 8.210 nan 0.000 0.424 129 N N -0.440 118.083 118.700 -0.295 0.000 2.135 129 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 129 N C 1.626 177.014 175.510 -0.203 0.000 1.027 129 N CA 1.452 54.361 53.050 -0.235 0.000 0.849 129 N CB -0.304 37.999 38.487 -0.308 0.000 1.002 129 N HN 0.266 nan 8.380 nan 0.000 0.425 130 Y N 1.344 121.472 120.300 -0.287 0.000 2.165 130 Y HA -0.085 4.465 4.550 -0.000 0.000 0.286 130 Y C 2.043 177.898 175.900 -0.075 0.000 1.155 130 Y CA 0.525 58.362 58.100 -0.438 0.000 1.164 130 Y CB -0.941 37.188 38.460 -0.553 0.000 0.978 130 Y HN 0.188 nan 8.280 nan 0.000 0.513 131 I N -2.041 118.568 120.570 0.064 0.000 3.578 131 I HA 0.036 4.206 4.170 -0.000 0.000 0.295 131 I C 2.068 178.253 176.117 0.114 0.000 1.280 131 I CA 1.010 62.365 61.300 0.092 0.000 1.347 131 I CB -0.462 37.572 38.000 0.058 0.000 1.051 131 I HN 0.135 nan 8.210 nan 0.000 0.460 132 S N 1.466 117.236 115.700 0.117 0.000 2.414 132 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 132 S C 1.847 176.553 174.600 0.176 0.000 1.022 132 S CA 0.460 58.740 58.200 0.134 0.000 0.958 132 S CB -0.470 62.798 63.200 0.114 0.000 0.797 132 S HN 0.476 nan 8.310 nan 0.000 0.493 133 L N 2.951 124.320 121.223 0.244 0.000 2.418 133 L HA 0.272 4.612 4.340 -0.000 0.000 0.218 133 L C 1.517 178.513 176.870 0.209 0.000 1.125 133 L CA 1.171 56.158 54.840 0.245 0.000 0.835 133 L CB -0.469 41.818 42.059 0.380 0.000 0.953 133 L HN 0.740 nan 8.230 nan 0.000 0.454 134 N N -2.826 116.004 118.700 0.217 0.000 2.200 134 N HA 0.211 4.951 4.740 -0.000 0.000 0.224 134 N C 1.116 176.801 175.510 0.292 0.000 1.179 134 N CA 0.553 53.750 53.050 0.244 0.000 0.877 134 N CB 0.780 39.399 38.487 0.221 0.000 1.072 134 N HN 0.095 nan 8.380 nan 0.000 0.519 135 G N 1.422 110.340 108.800 0.198 0.000 2.213 135 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 135 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 135 G C 0.718 175.677 174.900 0.099 0.000 0.991 135 G CA 0.322 45.497 45.100 0.126 0.000 0.629 135 G HN 0.307 nan 8.290 nan 0.000 0.517 136 I N 0.043 120.680 120.570 0.111 0.000 2.163 136 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 136 I C 2.623 178.793 176.117 0.088 0.000 1.081 136 I CA 1.614 62.958 61.300 0.074 0.000 1.353 136 I CB -0.316 37.729 38.000 0.076 0.000 1.054 136 I HN 0.287 nan 8.210 nan 0.000 0.407 137 L N 0.427 121.711 121.223 0.100 0.000 2.079 137 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 137 L C 2.647 179.574 176.870 0.095 0.000 1.081 137 L CA 1.977 56.866 54.840 0.082 0.000 0.752 137 L CB -1.081 41.022 42.059 0.073 0.000 0.896 137 L HN 0.316 nan 8.230 nan 0.000 0.433 138 H N -0.419 118.675 119.070 0.040 0.000 2.422 138 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 138 H C 1.651 177.003 175.328 0.040 0.000 1.098 138 H CA 1.377 57.447 56.048 0.037 0.000 1.315 138 H CB 0.323 30.109 29.762 0.040 0.000 1.382 138 H HN 0.486 nan 8.280 nan 0.000 0.523 139 A N 0.601 123.518 122.820 0.162 0.000 2.251 139 A HA 0.222 4.542 4.320 -0.000 0.000 0.209 139 A C 0.921 178.563 177.584 0.097 0.000 1.187 139 A CA -0.168 51.968 52.037 0.165 0.000 0.823 139 A CB 0.045 19.169 19.000 0.207 0.000 0.846 139 A HN 0.239 nan 8.150 nan 0.000 0.486 140 I N 0.155 120.750 120.570 0.041 0.000 2.354 140 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 140 I C 0.634 176.743 176.117 -0.014 0.000 0.989 140 I CA -0.004 61.311 61.300 0.026 0.000 1.188 140 I CB 1.306 39.323 38.000 0.028 0.000 1.342 140 I HN 0.344 nan 8.210 nan 0.000 0.457 141 G N 5.355 114.143 108.800 -0.019 0.000 2.371 141 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.663 141 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.663 141 G C -0.995 173.873 174.900 -0.055 0.000 1.311 141 G CA -1.113 43.961 45.100 -0.043 0.000 0.985 141 G HN 0.421 nan 8.290 nan 0.000 0.566 142 R N 0.080 120.541 120.500 -0.065 0.000 2.594 142 R HA 0.420 4.760 4.340 -0.000 0.000 0.272 142 R C 1.884 178.144 176.300 -0.068 0.000 1.074 142 R CA 0.236 56.295 56.100 -0.069 0.000 1.105 142 R CB 0.428 30.686 30.300 -0.070 0.000 1.008 142 R HN 1.112 nan 8.270 nan 0.000 0.472 143 G N 1.368 110.130 108.800 -0.064 0.000 2.432 143 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 143 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 143 G C 0.577 175.444 174.900 -0.055 0.000 1.135 143 G CA 0.813 45.876 45.100 -0.062 0.000 0.767 143 G HN 0.678 nan 8.290 nan 0.000 0.550 144 D N 0.026 120.397 120.400 -0.048 0.000 2.358 144 D HA 0.133 4.773 4.640 -0.000 0.000 0.224 144 D C 0.357 176.634 176.300 -0.038 0.000 1.123 144 D CA -0.082 53.895 54.000 -0.038 0.000 0.833 144 D CB 0.042 40.824 40.800 -0.030 0.000 0.946 144 D HN 0.453 nan 8.370 nan 0.000 0.505 145 E N -0.062 120.109 120.200 -0.048 0.000 2.446 145 E HA 0.323 4.673 4.350 -0.000 0.000 0.276 145 E C -0.314 176.252 176.600 -0.057 0.000 0.969 145 E CA -1.239 55.135 56.400 -0.045 0.000 0.800 145 E CB 1.723 31.398 29.700 -0.043 0.000 1.341 145 E HN 0.062 nan 8.360 nan 0.000 0.460 146 R N 0.247 120.719 120.500 -0.048 0.000 2.784 146 R HA 0.244 4.584 4.340 -0.000 0.000 0.266 146 R C -2.323 173.938 176.300 -0.065 0.000 1.044 146 R CA -1.218 54.848 56.100 -0.056 0.000 1.151 146 R CB -0.740 29.540 30.300 -0.033 0.000 1.037 146 R HN 0.108 nan 8.270 nan 0.000 0.478 147 P HA -0.065 nan 4.420 nan 0.000 0.266 147 P C -0.726 176.552 177.300 -0.037 0.000 1.195 147 P CA -0.223 62.837 63.100 -0.068 0.000 0.768 147 P CB 0.700 32.362 31.700 -0.064 0.000 0.838 148 V N 4.783 124.678 119.914 -0.030 0.000 2.513 148 V HA 0.476 4.596 4.120 -0.000 0.000 0.299 148 V C -2.334 173.754 176.094 -0.009 0.000 1.035 148 V CA -2.770 59.518 62.300 -0.020 0.000 0.889 148 V CB 1.649 33.456 31.823 -0.027 0.000 0.988 148 V HN 0.461 nan 8.190 nan 0.000 0.440 149 P HA 0.283 nan 4.420 nan 0.000 0.271 149 P C -2.647 174.658 177.300 0.009 0.000 1.220 149 P CA -1.570 61.531 63.100 0.001 0.000 0.768 149 P CB 0.061 31.759 31.700 -0.004 0.000 0.848 150 P HA 0.127 nan 4.420 nan 0.000 0.220 150 P C 0.418 177.746 177.300 0.045 0.000 1.806 150 P CA -0.066 63.051 63.100 0.029 0.000 0.976 150 P CB -0.383 31.339 31.700 0.035 0.000 1.952 151 L N -0.708 120.541 121.223 0.044 0.000 6.855 151 L HA -0.327 4.013 4.340 -0.000 0.000 0.055 151 L C 1.143 178.032 176.870 0.033 0.000 1.527 151 L CA 1.555 56.429 54.840 0.057 0.000 1.709 151 L CB -1.365 40.757 42.059 0.106 0.000 2.675 151 L HN 0.353 nan 8.230 nan 0.000 1.057 152 N N 0.224 118.947 118.700 0.038 0.000 2.380 152 N HA 0.223 4.963 4.740 -0.000 0.000 0.255 152 N C 0.674 176.137 175.510 -0.077 0.000 1.158 152 N CA -0.011 53.003 53.050 -0.061 0.000 0.878 152 N CB 0.151 38.551 38.487 -0.145 0.000 1.138 152 N HN 0.630 nan 8.380 nan 0.000 0.509 153 L N -0.587 120.681 121.223 0.076 0.000 2.240 153 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 153 L C 1.652 178.586 176.870 0.108 0.000 1.106 153 L CA 0.562 55.507 54.840 0.175 0.000 0.793 153 L CB 0.168 42.327 42.059 0.167 0.000 0.927 153 L HN 0.050 nan 8.230 nan 0.000 0.446 154 V N -1.187 118.755 119.914 0.046 0.000 2.795 154 V HA 0.096 4.216 4.120 -0.000 0.000 0.243 154 V C 2.302 178.413 176.094 0.028 0.000 1.069 154 V CA 1.386 63.720 62.300 0.057 0.000 1.089 154 V CB -0.265 31.589 31.823 0.051 0.000 0.756 154 V HN 0.437 nan 8.190 nan 0.000 0.471 155 G N -0.351 108.433 108.800 -0.026 0.000 2.471 155 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.211 155 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.211 155 G C 1.149 175.976 174.900 -0.120 0.000 1.194 155 G CA 0.685 45.765 45.100 -0.033 0.000 0.816 155 G HN 0.420 nan 8.290 nan 0.000 0.545 156 D N 0.191 120.406 120.400 -0.308 0.000 2.123 156 D HA -0.042 4.597 4.640 -0.000 0.000 0.196 156 D C 1.991 177.998 176.300 -0.488 0.000 0.992 156 D CA 1.000 54.642 54.000 -0.597 0.000 0.833 156 D CB -0.087 39.970 40.800 -1.238 0.000 0.954 156 D HN 0.344 nan 8.370 nan 0.000 0.455 157 F N -0.489 119.456 119.950 -0.008 0.000 2.534 157 F HA 0.301 4.828 4.527 -0.000 0.000 0.274 157 F C 2.557 178.402 175.800 0.076 0.000 0.917 157 F CA 0.377 58.358 58.000 -0.032 0.000 1.145 157 F CB -1.101 37.758 39.000 -0.234 0.000 1.145 157 F HN -0.091 nan 8.300 nan 0.000 0.746 158 G N -0.324 108.629 108.800 0.256 0.000 2.422 158 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 158 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 158 G C 1.713 176.804 174.900 0.318 0.000 1.146 158 G CA 0.975 46.211 45.100 0.227 0.000 0.769 158 G HN 0.539 nan 8.290 nan 0.000 0.547 159 G N -0.778 108.181 108.800 0.265 0.000 3.277 159 G HA2 0.466 4.426 3.960 -0.000 0.000 0.243 159 G HA3 0.466 4.426 3.960 -0.000 0.000 0.243 159 G C 0.839 175.860 174.900 0.202 0.000 1.107 159 G CA 0.978 46.242 45.100 0.273 0.000 0.771 159 G HN 0.625 nan 8.290 nan 0.000 0.544 160 G N 0.723 109.655 108.800 0.220 0.000 2.446 160 G HA2 0.165 4.125 3.960 -0.000 0.000 0.202 160 G HA3 0.165 4.125 3.960 -0.000 0.000 0.202 160 G C 1.887 176.905 174.900 0.198 0.000 1.842 160 G CA 1.136 46.306 45.100 0.117 0.000 0.703 160 G HN 0.398 nan 8.290 nan 0.000 0.731 161 S N 0.540 116.384 115.700 0.240 0.000 2.382 161 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 161 S C 2.366 177.098 174.600 0.220 0.000 1.027 161 S CA 1.652 60.014 58.200 0.271 0.000 0.991 161 S CB -0.299 63.191 63.200 0.483 0.000 0.823 161 S HN 0.128 nan 8.310 nan 0.000 0.469 162 M N 0.574 120.308 119.600 0.224 0.000 2.175 162 M HA 0.162 4.642 4.480 -0.000 0.000 0.264 162 M C 1.850 178.114 176.300 -0.060 0.000 1.063 162 M CA 1.015 56.354 55.300 0.064 0.000 1.119 162 M CB -1.628 30.976 32.600 0.007 0.000 1.377 162 M HN 0.315 nan 8.290 nan 0.000 0.415 163 F N 0.241 120.228 119.950 0.062 0.000 2.186 163 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 163 F C 2.292 178.111 175.800 0.032 0.000 1.090 163 F CA 0.779 58.801 58.000 0.037 0.000 1.307 163 F CB -0.830 38.184 39.000 0.022 0.000 1.019 163 F HN 0.041 nan 8.300 nan 0.000 0.489 164 L N 0.011 121.351 121.223 0.195 0.000 2.043 164 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 164 L C 2.107 179.021 176.870 0.074 0.000 1.075 164 L CA 1.736 56.644 54.840 0.114 0.000 0.752 164 L CB -0.639 41.475 42.059 0.090 0.000 0.891 164 L HN 0.109 nan 8.230 nan 0.000 0.432 165 L N -2.038 119.217 121.223 0.053 0.000 2.017 165 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 165 L C 2.419 179.293 176.870 0.006 0.000 1.073 165 L CA 1.119 55.971 54.840 0.021 0.000 0.745 165 L CB -0.675 41.388 42.059 0.006 0.000 0.894 165 L HN 0.087 nan 8.230 nan 0.000 0.432 166 V N 0.219 120.118 119.914 -0.024 0.000 2.332 166 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 166 V C 2.596 178.703 176.094 0.023 0.000 1.055 166 V CA 2.077 64.357 62.300 -0.034 0.000 1.038 166 V CB -1.288 30.463 31.823 -0.119 0.000 0.651 166 V HN 0.595 nan 8.190 nan 0.000 0.450 167 G N -0.297 108.539 108.800 0.061 0.000 2.421 167 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 167 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 167 G C 1.585 176.524 174.900 0.066 0.000 1.171 167 G CA 1.047 46.193 45.100 0.077 0.000 0.775 167 G HN 0.472 nan 8.290 nan 0.000 0.543 168 I N 0.380 120.982 120.570 0.055 0.000 2.127 168 I HA -0.198 3.972 4.170 -0.000 0.000 0.241 168 I C 2.762 178.909 176.117 0.049 0.000 1.075 168 I CA 1.017 62.345 61.300 0.046 0.000 1.334 168 I CB -0.225 37.793 38.000 0.030 0.000 1.040 168 I HN 0.128 nan 8.210 nan 0.000 0.405 169 L N 0.140 121.388 121.223 0.042 0.000 2.093 169 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 169 L C 2.790 179.712 176.870 0.087 0.000 1.085 169 L CA 1.166 56.036 54.840 0.051 0.000 0.755 169 L CB -0.723 41.354 42.059 0.031 0.000 0.904 169 L HN 0.241 nan 8.230 nan 0.000 0.435 170 A N 0.152 123.016 122.820 0.073 0.000 1.933 170 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 170 A C 2.531 180.219 177.584 0.174 0.000 1.175 170 A CA 1.657 53.757 52.037 0.104 0.000 0.628 170 A CB -0.657 18.376 19.000 0.055 0.000 0.814 170 A HN 0.386 nan 8.150 nan 0.000 0.444 171 A N -0.357 122.536 122.820 0.122 0.000 1.972 171 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 171 A C 2.121 179.766 177.584 0.101 0.000 1.169 171 A CA 1.389 53.491 52.037 0.109 0.000 0.635 171 A CB -0.539 18.509 19.000 0.080 0.000 0.810 171 A HN 0.475 nan 8.150 nan 0.000 0.446 172 L N -1.362 119.922 121.223 0.101 0.000 2.093 172 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 172 L C 2.611 179.549 176.870 0.112 0.000 1.085 172 L CA 1.318 56.205 54.840 0.078 0.000 0.755 172 L CB -0.479 41.617 42.059 0.061 0.000 0.904 172 L HN 0.836 nan 8.230 nan 0.000 0.435 173 W N 1.434 122.731 121.300 -0.005 0.000 2.355 173 W HA -0.209 4.451 4.660 0.000 0.000 0.309 173 W C 2.207 178.724 176.519 -0.002 0.000 1.206 173 W CA 1.674 59.017 57.345 -0.004 0.000 1.284 173 W CB -0.185 29.275 29.460 0.001 0.000 1.145 173 W HN 0.230 nan 8.180 nan 0.000 0.502 174 E N 1.285 121.564 120.200 0.131 0.000 2.085 174 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 174 E C 2.285 178.821 176.600 -0.106 0.000 0.994 174 E CA 1.579 57.980 56.400 0.000 0.000 0.801 174 E CB -0.580 29.188 29.700 0.113 0.000 0.743 174 E HN 0.310 nan 8.360 nan 0.000 0.453 175 R N 0.005 120.472 120.500 -0.055 0.000 2.159 175 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 175 R C 2.312 178.541 176.300 -0.119 0.000 1.131 175 R CA 1.286 57.346 56.100 -0.066 0.000 0.982 175 R CB 0.045 30.326 30.300 -0.031 0.000 0.868 175 R HN 0.143 nan 8.270 nan 0.000 0.453 176 Q N -0.145 119.542 119.800 -0.189 0.000 2.135 176 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 176 Q C 2.109 177.969 176.000 -0.233 0.000 0.981 176 Q CA 2.146 57.811 55.803 -0.230 0.000 0.856 176 Q CB -0.057 28.472 28.738 -0.349 0.000 0.902 176 Q HN 0.493 nan 8.270 nan 0.000 0.425 177 S N -0.798 114.741 115.700 -0.269 0.000 2.441 177 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 177 S C 2.046 176.573 174.600 -0.123 0.000 1.043 177 S CA 0.816 58.895 58.200 -0.202 0.000 0.948 177 S CB -0.131 62.933 63.200 -0.226 0.000 0.810 177 S HN 0.325 nan 8.310 nan 0.000 0.504 178 S N 0.504 116.142 115.700 -0.102 0.000 2.478 178 S HA 0.420 4.890 4.470 -0.000 0.000 0.222 178 S C 1.829 176.397 174.600 -0.052 0.000 1.008 178 S CA 0.744 58.907 58.200 -0.062 0.000 0.928 178 S CB -0.612 62.563 63.200 -0.041 0.000 0.781 178 S HN 1.524 nan 8.310 nan 0.000 0.518 179 G N 0.995 109.758 108.800 -0.061 0.000 2.184 179 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.264 179 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.264 179 G C -0.038 174.841 174.900 -0.034 0.000 0.975 179 G CA 0.579 45.649 45.100 -0.049 0.000 0.642 179 G HN 0.562 nan 8.290 nan 0.000 0.536 180 K N 0.401 120.785 120.400 -0.027 0.000 2.281 180 K HA 0.734 5.054 4.320 -0.000 0.000 0.242 180 K C 0.868 177.466 176.600 -0.002 0.000 0.971 180 K CA -0.087 56.192 56.287 -0.012 0.000 0.834 180 K CB 1.358 33.854 32.500 -0.007 0.000 1.181 180 K HN 0.326 nan 8.250 nan 0.000 0.435 181 G N 0.081 108.887 108.800 0.011 0.000 2.509 181 G HA2 0.496 4.456 3.960 -0.000 0.000 0.269 181 G HA3 0.496 4.456 3.960 -0.000 0.000 0.269 181 G C -0.586 174.335 174.900 0.035 0.000 1.416 181 G CA -0.094 45.023 45.100 0.028 0.000 1.052 181 G HN 0.630 nan 8.290 nan 0.000 0.542 182 Q N -3.363 116.469 119.800 0.054 0.000 2.973 182 Q HA 0.424 4.764 4.340 -0.000 0.000 0.313 182 Q C -1.985 174.064 176.000 0.082 0.000 0.860 182 Q CA -0.932 54.902 55.803 0.051 0.000 0.780 182 Q CB 1.123 29.885 28.738 0.040 0.000 1.485 182 Q HN 0.444 nan 8.270 nan 0.000 0.453 183 V N 1.241 121.191 119.914 0.061 0.000 2.439 183 V HA 0.445 4.565 4.120 -0.000 0.000 0.282 183 V C -0.325 175.820 176.094 0.085 0.000 1.039 183 V CA -0.667 61.685 62.300 0.088 0.000 0.913 183 V CB 1.370 33.196 31.823 0.004 0.000 0.983 183 V HN 0.525 nan 8.190 nan 0.000 0.460 184 V N 3.793 123.776 119.914 0.115 0.000 2.370 184 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 184 V C -0.203 175.943 176.094 0.086 0.000 1.029 184 V CA -0.364 61.990 62.300 0.090 0.000 0.870 184 V CB 1.638 33.515 31.823 0.089 0.000 0.984 184 V HN 0.967 nan 8.190 nan 0.000 0.451 185 D N 4.869 125.305 120.400 0.059 0.000 2.473 185 D HA 0.486 5.126 4.640 -0.000 0.000 0.226 185 D C 0.011 176.327 176.300 0.026 0.000 1.089 185 D CA -0.268 53.757 54.000 0.042 0.000 0.883 185 D CB 1.290 42.106 40.800 0.026 0.000 1.029 185 D HN 0.650 nan 8.370 nan 0.000 0.517 186 A N 3.158 125.993 122.820 0.025 0.000 2.341 186 A HA 0.679 4.999 4.320 -0.000 0.000 0.326 186 A C 0.031 177.585 177.584 -0.051 0.000 1.402 186 A CA -0.580 51.464 52.037 0.011 0.000 0.957 186 A CB 0.386 19.422 19.000 0.059 0.000 1.151 186 A HN 0.622 nan 8.150 nan 0.000 0.533 187 A N 3.079 125.846 122.820 -0.089 0.000 2.292 187 A HA 0.584 4.904 4.320 -0.000 0.000 0.319 187 A C 0.950 178.405 177.584 -0.215 0.000 1.206 187 A CA -0.608 51.334 52.037 -0.158 0.000 0.835 187 A CB 0.270 19.206 19.000 -0.106 0.000 1.164 187 A HN 0.866 nan 8.150 nan 0.000 0.505 188 M N 2.407 121.812 119.600 -0.325 0.000 2.213 188 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 188 M C 1.874 178.051 176.300 -0.206 0.000 1.062 188 M CA 1.330 56.463 55.300 -0.278 0.000 1.105 188 M CB -0.275 32.108 32.600 -0.361 0.000 1.385 188 M HN 0.629 nan 8.290 nan 0.000 0.417 189 V N 0.589 120.380 119.914 -0.204 0.000 2.594 189 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 189 V C 1.444 177.504 176.094 -0.057 0.000 1.069 189 V CA 2.050 64.331 62.300 -0.032 0.000 1.082 189 V CB -0.377 31.535 31.823 0.148 0.000 0.680 189 V HN 0.410 nan 8.190 nan 0.000 0.469 190 D N -0.047 120.273 120.400 -0.132 0.000 2.202 190 D HA 0.038 4.678 4.640 -0.000 0.000 0.214 190 D C 2.097 178.180 176.300 -0.362 0.000 0.967 190 D CA 1.403 55.289 54.000 -0.191 0.000 0.871 190 D CB -0.798 39.893 40.800 -0.182 0.000 1.020 190 D HN 0.472 nan 8.370 nan 0.000 0.474 191 G N 0.875 109.373 108.800 -0.504 0.000 2.446 191 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.217 191 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.217 191 G C 1.731 176.239 174.900 -0.653 0.000 1.168 191 G CA 1.863 46.296 45.100 -1.111 0.000 0.771 191 G HN 0.409 nan 8.290 nan 0.000 0.551 192 S N 0.352 115.911 115.700 -0.235 0.000 2.402 192 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 192 S C 2.405 177.007 174.600 0.004 0.000 1.021 192 S CA 1.662 59.838 58.200 -0.040 0.000 0.974 192 S CB -0.327 62.880 63.200 0.012 0.000 0.800 192 S HN 0.222 nan 8.310 nan 0.000 0.484 193 S N 1.446 117.129 115.700 -0.027 0.000 2.368 193 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 193 S C 1.892 176.516 174.600 0.040 0.000 1.030 193 S CA 1.298 59.535 58.200 0.062 0.000 0.999 193 S CB -0.549 62.630 63.200 -0.035 0.000 0.844 193 S HN 0.449 nan 8.310 nan 0.000 0.459 194 V N 1.510 121.364 119.914 -0.101 0.000 2.548 194 V HA -0.055 4.065 4.120 -0.000 0.000 0.249 194 V C 2.140 178.319 176.094 0.141 0.000 1.055 194 V CA 1.042 63.337 62.300 -0.009 0.000 1.065 194 V CB -0.543 31.240 31.823 -0.066 0.000 0.681 194 V HN 0.329 nan 8.190 nan 0.000 0.462 195 L N -0.407 120.907 121.223 0.151 0.000 2.131 195 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 195 L C 1.803 178.750 176.870 0.129 0.000 1.092 195 L CA 1.860 56.839 54.840 0.232 0.000 0.759 195 L CB -0.227 41.977 42.059 0.243 0.000 0.903 195 L HN 0.287 nan 8.230 nan 0.000 0.435 196 I N -0.966 119.673 120.570 0.114 0.000 3.884 196 I HA -0.015 4.155 4.170 -0.000 0.000 0.330 196 I C 1.756 177.943 176.117 0.116 0.000 1.451 196 I CA 0.005 61.336 61.300 0.051 0.000 1.165 196 I CB -0.193 37.808 38.000 0.001 0.000 1.097 196 I HN 0.369 nan 8.210 nan 0.000 0.404 197 Q N 0.995 120.897 119.800 0.170 0.000 2.152 197 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 197 Q C 1.994 178.061 176.000 0.112 0.000 0.985 197 Q CA 2.024 57.950 55.803 0.204 0.000 0.863 197 Q CB -0.146 28.667 28.738 0.126 0.000 0.904 197 Q HN 0.644 nan 8.270 nan 0.000 0.422 198 M N -0.642 118.962 119.600 0.007 0.000 2.108 198 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 198 M C 1.874 178.072 176.300 -0.170 0.000 1.066 198 M CA 1.572 56.834 55.300 -0.064 0.000 1.107 198 M CB 0.030 32.570 32.600 -0.099 0.000 1.356 198 M HN 0.199 nan 8.290 nan 0.000 0.406 199 M N -0.986 118.399 119.600 -0.358 0.000 2.159 199 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 199 M C 1.465 177.528 176.300 -0.395 0.000 1.063 199 M CA 2.033 56.939 55.300 -0.657 0.000 1.110 199 M CB -0.764 31.200 32.600 -1.060 0.000 1.374 199 M HN 0.385 nan 8.290 nan 0.000 0.411 200 W N -0.409 120.807 121.300 -0.141 0.000 2.363 200 W HA -0.085 4.575 4.660 -0.000 0.000 0.296 200 W C 2.515 179.018 176.519 -0.026 0.000 1.212 200 W CA 1.087 58.397 57.345 -0.057 0.000 1.260 200 W CB -0.563 28.871 29.460 -0.043 0.000 1.131 200 W HN 0.222 nan 8.180 nan 0.000 0.530 201 A N -0.004 122.916 122.820 0.167 0.000 1.873 201 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 201 A C 1.925 179.561 177.584 0.086 0.000 1.186 201 A CA 1.731 53.834 52.037 0.109 0.000 0.616 201 A CB -0.859 18.182 19.000 0.069 0.000 0.823 201 A HN 0.221 nan 8.150 nan 0.000 0.442 202 M N -1.327 118.304 119.600 0.052 0.000 2.159 202 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 202 M C 2.380 178.764 176.300 0.140 0.000 1.063 202 M CA 1.759 57.116 55.300 0.095 0.000 1.110 202 M CB -0.358 32.312 32.600 0.117 0.000 1.374 202 M HN 0.442 nan 8.290 nan 0.000 0.411 203 R N 0.553 121.128 120.500 0.126 0.000 2.096 203 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 203 R C 2.151 178.525 176.300 0.124 0.000 1.127 203 R CA 1.507 57.693 56.100 0.144 0.000 0.968 203 R CB -0.209 30.145 30.300 0.092 0.000 0.861 203 R HN 0.374 nan 8.270 nan 0.000 0.440 204 A N -0.241 122.655 122.820 0.126 0.000 2.067 204 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 204 A C 1.685 179.315 177.584 0.077 0.000 1.158 204 A CA 1.737 53.836 52.037 0.104 0.000 0.661 204 A CB -0.275 18.788 19.000 0.105 0.000 0.801 204 A HN 0.540 nan 8.150 nan 0.000 0.452 205 T N -5.375 109.225 114.554 0.077 0.000 3.182 205 T HA 0.460 4.810 4.350 -0.000 0.000 0.277 205 T C 1.059 175.793 174.700 0.056 0.000 1.013 205 T CA 0.852 62.988 62.100 0.059 0.000 0.900 205 T CB 0.157 69.058 68.868 0.055 0.000 1.098 205 T HN 1.622 nan 8.240 nan 0.000 0.543 206 G N 1.936 110.774 108.800 0.063 0.000 2.136 206 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 206 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 206 G C 0.469 175.401 174.900 0.053 0.000 0.989 206 G CA 0.372 45.499 45.100 0.045 0.000 0.682 206 G HN 0.566 nan 8.290 nan 0.000 0.522 207 M N -0.937 118.722 119.600 0.099 0.000 2.356 207 M HA 0.381 4.861 4.480 -0.000 0.000 0.262 207 M C 0.310 176.756 176.300 0.243 0.000 1.097 207 M CA 0.035 55.414 55.300 0.131 0.000 0.991 207 M CB 0.575 33.254 32.600 0.132 0.000 1.450 207 M HN 0.342 nan 8.290 nan 0.000 0.495 208 W N 0.765 122.050 121.300 -0.025 0.000 3.573 208 W HA 0.353 5.013 4.660 -0.000 0.000 0.306 208 W C -1.351 175.140 176.519 -0.048 0.000 1.227 208 W CA -0.595 56.724 57.345 -0.044 0.000 1.212 208 W CB 1.708 31.122 29.460 -0.076 0.000 1.331 208 W HN -0.015 nan 8.180 nan 0.000 0.524 209 T N 0.089 114.376 114.554 -0.446 0.000 2.930 209 T HA 0.299 4.649 4.350 -0.000 0.000 0.290 209 T C 0.091 174.703 174.700 -0.147 0.000 1.052 209 T CA -0.445 61.536 62.100 -0.199 0.000 1.017 209 T CB 2.074 70.825 68.868 -0.196 0.000 1.137 209 T HN 0.243 nan 8.240 nan 0.000 0.511 210 D N 0.898 121.286 120.400 -0.021 0.000 2.363 210 D HA 0.125 4.765 4.640 -0.000 0.000 0.226 210 D C 0.299 176.645 176.300 0.077 0.000 1.020 210 D CA 0.456 54.484 54.000 0.045 0.000 0.892 210 D CB -0.210 40.596 40.800 0.009 0.000 0.900 210 D HN 0.575 nan 8.370 nan 0.000 0.531 211 T N 1.330 115.873 114.554 -0.018 0.000 2.752 211 T HA 0.089 4.439 4.350 -0.000 0.000 0.295 211 T C 0.579 175.252 174.700 -0.045 0.000 0.923 211 T CA -0.455 61.636 62.100 -0.014 0.000 1.112 211 T CB 1.061 69.892 68.868 -0.061 0.000 0.884 211 T HN 0.013 nan 8.240 nan 0.000 0.525 212 R N 2.363 122.853 120.500 -0.016 0.000 2.522 212 R HA 0.324 4.664 4.340 -0.000 0.000 0.284 212 R C 1.304 177.561 176.300 -0.071 0.000 1.032 212 R CA 1.166 57.236 56.100 -0.050 0.000 1.049 212 R CB -0.161 30.061 30.300 -0.130 0.000 0.956 212 R HN 0.963 nan 8.270 nan 0.000 0.422 213 G N 2.158 110.917 108.800 -0.069 0.000 2.143 213 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 213 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 213 G C 0.162 175.004 174.900 -0.096 0.000 0.991 213 G CA 0.240 45.294 45.100 -0.077 0.000 0.689 213 G HN 0.841 nan 8.290 nan 0.000 0.522 214 A N -0.443 122.290 122.820 -0.145 0.000 2.610 214 A HA 0.621 4.941 4.320 -0.000 0.000 0.290 214 A C 0.481 177.939 177.584 -0.211 0.000 1.001 214 A CA 0.034 51.999 52.037 -0.118 0.000 1.004 214 A CB 0.347 19.287 19.000 -0.100 0.000 1.220 214 A HN 0.304 nan 8.150 nan 0.000 0.507 215 N N -1.206 117.297 118.700 -0.328 0.000 2.966 215 N HA 0.335 5.074 4.740 -0.000 0.000 0.314 215 N C 0.683 176.038 175.510 -0.259 0.000 1.397 215 N CA -0.654 52.070 53.050 -0.543 0.000 0.776 215 N CB 1.021 38.557 38.487 -1.585 0.000 1.576 215 N HN 0.227 nan 8.380 nan 0.000 0.592 216 M N 0.269 119.764 119.600 -0.175 0.000 2.319 216 M HA 0.114 4.594 4.480 -0.000 0.000 0.265 216 M C 0.391 176.612 176.300 -0.132 0.000 1.068 216 M CA 1.633 56.910 55.300 -0.038 0.000 1.118 216 M CB 0.151 32.812 32.600 0.102 0.000 1.395 216 M HN 0.376 nan 8.290 nan 0.000 0.435 217 L N -0.296 120.946 121.223 0.032 0.000 3.069 217 L HA 0.182 4.522 4.340 -0.000 0.000 0.271 217 L C 0.298 177.286 176.870 0.196 0.000 1.201 217 L CA -0.330 54.445 54.840 -0.109 0.000 1.015 217 L CB 0.174 42.168 42.059 -0.108 0.000 1.371 217 L HN 0.227 nan 8.230 nan 0.000 0.574 218 D N -0.911 119.598 120.400 0.181 0.000 2.469 218 D HA 0.185 4.825 4.640 -0.000 0.000 0.215 218 D C 1.279 177.608 176.300 0.049 0.000 1.154 218 D CA 0.477 54.572 54.000 0.159 0.000 0.832 218 D CB 0.878 41.791 40.800 0.189 0.000 1.008 218 D HN 0.139 nan 8.370 nan 0.000 0.506 219 G N -0.344 108.473 108.800 0.028 0.000 2.195 219 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 219 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 219 G C 1.254 176.054 174.900 -0.167 0.000 0.990 219 G CA 0.156 45.208 45.100 -0.079 0.000 0.639 219 G HN 0.625 nan 8.290 nan 0.000 0.514 220 G N 0.409 109.109 108.800 -0.167 0.000 2.484 220 G HA2 0.447 4.407 3.960 -0.000 0.000 0.218 220 G HA3 0.447 4.407 3.960 -0.000 0.000 0.218 220 G C 0.849 175.465 174.900 -0.473 0.000 1.130 220 G CA 1.546 46.532 45.100 -0.189 0.000 0.784 220 G HN 1.734 nan 8.290 nan 0.000 0.543 221 A N 0.284 122.667 122.820 -0.728 0.000 2.292 221 A HA 0.675 4.995 4.320 -0.000 0.000 0.319 221 A C -1.320 175.585 177.584 -1.131 0.000 1.206 221 A CA -1.406 49.680 52.037 -1.585 0.000 0.835 221 A CB 1.579 19.676 19.000 -1.505 0.000 1.164 221 A HN -0.006 nan 8.150 nan 0.000 0.505 222 P HA -0.158 nan 4.420 nan 0.000 0.221 222 P C 0.428 177.683 177.300 -0.075 0.000 1.145 222 P CA 1.475 64.336 63.100 -0.398 0.000 0.795 222 P CB -0.114 31.439 31.700 -0.245 0.000 0.775 223 Y N -4.795 115.472 120.300 -0.055 0.000 2.468 223 Y HA 0.357 4.907 4.550 -0.000 0.000 0.268 223 Y C 0.220 176.198 175.900 0.129 0.000 1.177 223 Y CA -1.009 57.163 58.100 0.120 0.000 1.265 223 Y CB -0.874 37.690 38.460 0.172 0.000 1.103 223 Y HN -0.129 nan 8.280 nan 0.000 0.522 224 Y N 1.818 121.987 120.300 -0.219 0.000 2.592 224 Y HA 0.519 5.069 4.550 -0.000 0.000 0.354 224 Y C -1.316 174.485 175.900 -0.166 0.000 1.063 224 Y CA -1.143 56.891 58.100 -0.110 0.000 1.205 224 Y CB 0.245 38.644 38.460 -0.101 0.000 1.106 224 Y HN 0.235 nan 8.280 nan 0.000 0.649 225 D N 0.453 120.699 120.400 -0.256 0.000 2.764 225 D HA 0.219 4.859 4.640 -0.000 0.000 0.293 225 D C -0.983 175.140 176.300 -0.296 0.000 1.287 225 D CA -0.131 53.700 54.000 -0.282 0.000 0.768 225 D CB 1.573 42.166 40.800 -0.346 0.000 1.288 225 D HN 0.247 nan 8.370 nan 0.000 0.426 226 T N -1.173 113.173 114.554 -0.347 0.000 2.934 226 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 226 T C -0.577 173.861 174.700 -0.438 0.000 1.005 226 T CA -0.280 61.646 62.100 -0.291 0.000 1.041 226 T CB 0.948 69.653 68.868 -0.272 0.000 1.042 226 T HN 0.277 nan 8.240 nan 0.000 0.505 227 Y N -0.481 119.690 120.300 -0.215 0.000 2.477 227 Y HA 0.469 5.019 4.550 -0.000 0.000 0.347 227 Y C 0.262 176.179 175.900 0.028 0.000 0.981 227 Y CA -1.128 56.882 58.100 -0.150 0.000 1.033 227 Y CB 2.098 40.305 38.460 -0.421 0.000 1.245 227 Y HN 0.823 nan 8.280 nan 0.000 0.455 228 E N 2.049 122.404 120.200 0.258 0.000 2.259 228 E HA 0.425 4.775 4.350 -0.000 0.000 0.281 228 E C -0.910 175.778 176.600 0.147 0.000 1.027 228 E CA -0.326 56.179 56.400 0.175 0.000 0.838 228 E CB 0.607 30.399 29.700 0.154 0.000 1.066 228 E HN 0.692 nan 8.360 nan 0.000 0.401 229 C N 2.524 121.868 119.300 0.073 0.000 2.464 229 C HA 0.471 4.931 4.460 -0.000 0.000 0.398 229 C C 1.849 176.898 174.990 0.098 0.000 1.451 229 C CA -0.103 59.032 59.018 0.195 0.000 1.986 229 C CB 0.752 28.665 27.740 0.287 0.000 2.004 229 C HN 0.988 nan 8.230 nan 0.000 0.530 230 A N 0.951 123.842 122.820 0.117 0.000 2.019 230 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 230 A C 1.516 179.096 177.584 -0.007 0.000 1.164 230 A CA 2.205 54.263 52.037 0.035 0.000 0.644 230 A CB -0.545 18.447 19.000 -0.013 0.000 0.805 230 A HN 0.957 nan 8.150 nan 0.000 0.449 231 D N -2.110 118.280 120.400 -0.017 0.000 2.328 231 D HA 0.264 4.904 4.640 -0.000 0.000 0.221 231 D C 1.146 177.391 176.300 -0.091 0.000 1.072 231 D CA 0.732 54.704 54.000 -0.046 0.000 0.850 231 D CB -0.687 40.090 40.800 -0.038 0.000 0.922 231 D HN 0.706 nan 8.370 nan 0.000 0.516 232 G N 0.525 109.249 108.800 -0.126 0.000 2.162 232 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 232 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 232 G C 0.383 174.984 174.900 -0.498 0.000 0.976 232 G CA 0.213 45.179 45.100 -0.224 0.000 0.655 232 G HN 0.469 nan 8.290 nan 0.000 0.533 233 R N -1.279 118.944 120.500 -0.461 0.000 2.606 233 R HA 0.721 5.061 4.340 -0.000 0.000 0.249 233 R C -0.553 175.335 176.300 -0.686 0.000 1.127 233 R CA -0.620 55.126 56.100 -0.589 0.000 1.133 233 R CB 0.685 30.865 30.300 -0.200 0.000 1.243 233 R HN 0.234 nan 8.270 nan 0.000 0.558 234 Y N -0.741 119.565 120.300 0.011 0.000 2.536 234 Y HA 0.440 4.990 4.550 -0.000 0.000 0.347 234 Y C 0.014 175.895 175.900 -0.032 0.000 1.000 234 Y CA -1.167 56.922 58.100 -0.019 0.000 1.051 234 Y CB 1.680 40.101 38.460 -0.066 0.000 1.259 234 Y HN 0.263 nan 8.280 nan 0.000 0.468 235 V N -0.770 119.179 119.914 0.060 0.000 2.994 235 V HA 1.008 5.128 4.120 -0.000 0.000 0.318 235 V C -0.374 175.642 176.094 -0.130 0.000 1.085 235 V CA -1.290 60.974 62.300 -0.061 0.000 0.998 235 V CB 1.461 33.158 31.823 -0.210 0.000 1.063 235 V HN 0.941 nan 8.190 nan 0.000 0.447 236 A N 2.050 124.779 122.820 -0.152 0.000 2.303 236 A HA 0.818 5.138 4.320 -0.000 0.000 0.320 236 A C -0.578 176.871 177.584 -0.225 0.000 1.192 236 A CA -0.611 51.311 52.037 -0.193 0.000 0.821 236 A CB 1.196 20.088 19.000 -0.180 0.000 1.188 236 A HN 1.128 nan 8.150 nan 0.000 0.492 237 V N 1.767 121.554 119.914 -0.212 0.000 2.483 237 V HA 0.705 4.825 4.120 -0.000 0.000 0.295 237 V C 0.909 176.900 176.094 -0.171 0.000 1.035 237 V CA 0.315 62.517 62.300 -0.163 0.000 0.896 237 V CB 1.836 33.634 31.823 -0.042 0.000 0.986 237 V HN 1.183 nan 8.190 nan 0.000 0.447 238 G N 2.606 111.353 108.800 -0.088 0.000 4.552 238 G HA2 0.459 4.419 3.960 -0.000 0.000 0.281 238 G HA3 0.459 4.419 3.960 -0.000 0.000 0.281 238 G C 0.247 175.292 174.900 0.242 0.000 1.037 238 G CA 0.474 45.575 45.100 0.001 0.000 0.806 238 G HN 0.937 nan 8.290 nan 0.000 0.495 239 A N 0.826 123.816 122.820 0.284 0.000 3.015 239 A HA 0.606 4.926 4.320 -0.000 0.000 0.293 239 A C 1.209 178.964 177.584 0.284 0.000 1.572 239 A CA -0.397 51.827 52.037 0.313 0.000 1.274 239 A CB -0.344 18.819 19.000 0.272 0.000 1.156 239 A HN 0.347 nan 8.150 nan 0.000 0.562 240 I N -0.032 120.719 120.570 0.303 0.000 2.235 240 I HA -0.096 4.074 4.170 -0.000 0.000 0.241 240 I C 0.762 176.828 176.117 -0.084 0.000 1.085 240 I CA 0.689 62.053 61.300 0.107 0.000 1.378 240 I CB -0.041 38.110 38.000 0.251 0.000 1.076 240 I HN 0.474 nan 8.210 nan 0.000 0.415 241 E N 2.097 122.307 120.200 0.017 0.000 2.392 241 E HA -0.008 4.342 4.350 -0.000 0.000 0.264 241 E C -1.558 174.912 176.600 -0.217 0.000 1.024 241 E CA -1.157 55.114 56.400 -0.216 0.000 0.903 241 E CB 0.134 29.506 29.700 -0.547 0.000 0.963 241 E HN 0.104 nan 8.360 nan 0.000 0.432 242 P HA -0.232 nan 4.420 nan 0.000 0.218 242 P C 0.970 178.253 177.300 -0.029 0.000 1.149 242 P CA 1.242 64.290 63.100 -0.086 0.000 0.817 242 P CB 0.330 31.976 31.700 -0.090 0.000 0.785 243 Q N -0.579 119.120 119.800 -0.169 0.000 2.172 243 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 243 Q C 1.879 177.917 176.000 0.063 0.000 0.964 243 Q CA 1.370 57.112 55.803 -0.101 0.000 0.855 243 Q CB -1.199 27.438 28.738 -0.170 0.000 0.918 243 Q HN 0.169 nan 8.270 nan 0.000 0.444 244 F N 0.430 120.412 119.950 0.053 0.000 2.163 244 F HA -0.024 4.503 4.527 -0.000 0.000 0.297 244 F C 2.417 178.249 175.800 0.053 0.000 1.094 244 F CA 0.030 58.058 58.000 0.046 0.000 1.290 244 F CB -1.508 37.519 39.000 0.045 0.000 1.017 244 F HN 0.049 nan 8.300 nan 0.000 0.483 245 Y N 1.176 121.542 120.300 0.110 0.000 2.151 245 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 245 Y C 2.445 178.365 175.900 0.034 0.000 1.166 245 Y CA 1.560 59.677 58.100 0.027 0.000 1.163 245 Y CB -0.682 37.736 38.460 -0.071 0.000 0.974 245 Y HN -0.005 nan 8.280 nan 0.000 0.511 246 A N 0.172 123.026 122.820 0.057 0.000 1.933 246 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 246 A C 2.420 179.992 177.584 -0.020 0.000 1.175 246 A CA 1.917 53.945 52.037 -0.016 0.000 0.628 246 A CB -1.448 17.580 19.000 0.045 0.000 0.814 246 A HN 0.601 nan 8.150 nan 0.000 0.444 247 A N -0.609 122.245 122.820 0.056 0.000 1.898 247 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 247 A C 2.255 179.913 177.584 0.123 0.000 1.181 247 A CA 1.782 53.882 52.037 0.106 0.000 0.620 247 A CB -0.546 18.550 19.000 0.161 0.000 0.819 247 A HN 0.646 nan 8.150 nan 0.000 0.442 248 M N -0.269 119.332 119.600 0.002 0.000 2.065 248 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 248 M C 1.887 178.141 176.300 -0.076 0.000 1.069 248 M CA 1.883 57.123 55.300 -0.101 0.000 1.110 248 M CB -0.336 32.097 32.600 -0.279 0.000 1.328 248 M HN 0.394 nan 8.290 nan 0.000 0.405 249 L N 0.130 121.208 121.223 -0.241 0.000 2.079 249 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 249 L C 2.786 179.611 176.870 -0.076 0.000 1.081 249 L CA 1.271 55.974 54.840 -0.228 0.000 0.752 249 L CB -1.095 40.793 42.059 -0.284 0.000 0.896 249 L HN 0.488 nan 8.230 nan 0.000 0.433 250 A N 0.347 123.158 122.820 -0.014 0.000 1.873 250 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 250 A C 2.419 180.021 177.584 0.030 0.000 1.186 250 A CA 1.566 53.609 52.037 0.012 0.000 0.616 250 A CB -1.219 17.796 19.000 0.025 0.000 0.823 250 A HN 0.425 nan 8.150 nan 0.000 0.442 251 G N -0.170 108.697 108.800 0.112 0.000 2.469 251 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 251 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 251 G C 1.412 176.329 174.900 0.028 0.000 1.136 251 G CA 1.098 46.180 45.100 -0.030 0.000 0.759 251 G HN 0.451 nan 8.290 nan 0.000 0.562 252 L N 0.258 121.525 121.223 0.073 0.000 2.554 252 L HA 0.212 4.552 4.340 -0.000 0.000 0.226 252 L C 2.112 178.975 176.870 -0.012 0.000 1.137 252 L CA 0.420 55.210 54.840 -0.084 0.000 0.863 252 L CB -0.178 41.656 42.059 -0.375 0.000 0.985 252 L HN 0.389 nan 8.230 nan 0.000 0.451 253 G N 0.820 109.620 108.800 -0.000 0.000 2.160 253 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 253 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 253 G C 0.141 175.029 174.900 -0.020 0.000 1.008 253 G CA -0.059 45.043 45.100 0.004 0.000 0.724 253 G HN 0.241 nan 8.290 nan 0.000 0.514 254 L N 0.427 121.617 121.223 -0.054 0.000 2.334 254 L HA 0.435 4.775 4.340 -0.000 0.000 0.277 254 L C 0.165 177.011 176.870 -0.040 0.000 1.075 254 L CA -0.885 53.920 54.840 -0.059 0.000 0.804 254 L CB 1.163 43.159 42.059 -0.105 0.000 1.174 254 L HN 0.103 nan 8.230 nan 0.000 0.438 255 D N 1.812 122.200 120.400 -0.021 0.000 2.316 255 D HA 0.229 4.869 4.640 -0.000 0.000 0.245 255 D C 0.748 177.050 176.300 0.002 0.000 1.171 255 D CA -0.126 53.870 54.000 -0.007 0.000 0.856 255 D CB 1.979 42.779 40.800 0.001 0.000 1.090 255 D HN 0.590 nan 8.370 nan 0.000 0.476 256 A N 4.124 126.948 122.820 0.006 0.000 1.986 256 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 256 A C 2.051 179.663 177.584 0.047 0.000 1.171 256 A CA 1.909 53.967 52.037 0.036 0.000 0.640 256 A CB -0.545 18.483 19.000 0.047 0.000 0.811 256 A HN 0.661 nan 8.150 nan 0.000 0.451 257 A N -1.020 121.819 122.820 0.032 0.000 2.125 257 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 257 A C 1.701 179.303 177.584 0.031 0.000 1.156 257 A CA 1.471 53.526 52.037 0.030 0.000 0.671 257 A CB -0.190 18.823 19.000 0.021 0.000 0.794 257 A HN 0.445 nan 8.150 nan 0.000 0.459 258 E N -0.832 119.386 120.200 0.030 0.000 2.481 258 E HA 0.258 4.608 4.350 -0.000 0.000 0.198 258 E C -0.104 176.520 176.600 0.040 0.000 1.027 258 E CA 0.072 56.490 56.400 0.029 0.000 0.900 258 E CB 0.222 29.934 29.700 0.019 0.000 0.993 258 E HN 0.575 nan 8.360 nan 0.000 0.482 259 L N 1.203 122.460 121.223 0.056 0.000 2.322 259 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 259 L C -2.220 174.709 176.870 0.098 0.000 1.012 259 L CA -2.280 52.609 54.840 0.083 0.000 0.815 259 L CB 0.774 42.897 42.059 0.107 0.000 1.295 259 L HN -0.258 nan 8.230 nan 0.000 0.438 260 P HA 0.147 nan 4.420 nan 0.000 0.269 260 P C -2.497 174.885 177.300 0.138 0.000 1.215 260 P CA -0.813 62.357 63.100 0.116 0.000 0.780 260 P CB -0.326 31.458 31.700 0.141 0.000 0.898 261 P HA -0.010 nan 4.420 nan 0.000 0.267 261 P C 0.913 178.275 177.300 0.105 0.000 1.200 261 P CA -0.001 63.150 63.100 0.085 0.000 0.772 261 P CB 0.370 32.093 31.700 0.037 0.000 0.855 262 Q N 2.205 122.011 119.800 0.010 0.000 2.152 262 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 262 Q C 0.283 176.402 176.000 0.198 0.000 0.985 262 Q CA 1.855 57.560 55.803 -0.163 0.000 0.863 262 Q CB -0.180 28.101 28.738 -0.761 0.000 0.904 262 Q HN 0.484 nan 8.270 nan 0.000 0.422 263 N N 0.663 119.427 118.700 0.105 0.000 2.275 263 N HA 0.031 4.771 4.740 -0.000 0.000 0.236 263 N C -1.217 174.245 175.510 -0.080 0.000 1.154 263 N CA -0.167 52.968 53.050 0.141 0.000 0.866 263 N CB 0.625 39.150 38.487 0.063 0.000 1.093 263 N HN 0.087 nan 8.380 nan 0.000 0.515 264 D N 1.236 121.593 120.400 -0.071 0.000 2.470 264 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 264 D C 0.983 177.021 176.300 -0.437 0.000 1.196 264 D CA -0.007 53.886 54.000 -0.178 0.000 0.979 264 D CB 0.321 41.084 40.800 -0.062 0.000 1.059 264 D HN 0.146 nan 8.370 nan 0.000 0.515 265 R N 2.353 122.400 120.500 -0.755 0.000 2.127 265 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 265 R C 1.940 177.935 176.300 -0.509 0.000 1.134 265 R CA 1.317 56.716 56.100 -1.168 0.000 0.975 265 R CB -0.131 29.498 30.300 -1.118 0.000 0.865 265 R HN 0.413 nan 8.270 nan 0.000 0.447 266 A N 1.142 123.790 122.820 -0.286 0.000 2.024 266 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 266 A C 1.734 179.290 177.584 -0.047 0.000 1.164 266 A CA 1.228 53.186 52.037 -0.132 0.000 0.643 266 A CB -0.161 18.781 19.000 -0.097 0.000 0.806 266 A HN 0.245 nan 8.150 nan 0.000 0.451 267 R N -2.380 118.105 120.500 -0.024 0.000 2.509 267 R HA 0.058 4.398 4.340 -0.000 0.000 0.300 267 R C 0.867 177.297 176.300 0.216 0.000 0.985 267 R CA -0.415 55.732 56.100 0.078 0.000 1.092 267 R CB 0.045 30.387 30.300 0.071 0.000 1.237 267 R HN 0.598 nan 8.270 nan 0.000 0.546 268 W N 1.772 123.083 121.300 0.019 0.000 2.321 268 W HA -0.053 4.607 4.660 -0.000 0.000 0.306 268 W C -0.966 175.572 176.519 0.032 0.000 1.217 268 W CA 0.854 58.215 57.345 0.025 0.000 1.257 268 W CB -1.683 27.774 29.460 -0.006 0.000 1.145 268 W HN 0.069 nan 8.180 nan 0.000 0.509 269 P HA -0.223 nan 4.420 nan 0.000 0.215 269 P C 1.552 178.925 177.300 0.123 0.000 1.157 269 P CA 2.613 65.796 63.100 0.138 0.000 0.868 269 P CB -0.180 31.580 31.700 0.100 0.000 0.788 270 E N -0.558 119.718 120.200 0.126 0.000 2.051 270 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 270 E C 1.914 178.589 176.600 0.126 0.000 0.991 270 E CA 0.873 57.337 56.400 0.108 0.000 0.799 270 E CB -0.650 29.106 29.700 0.094 0.000 0.748 270 E HN -0.037 nan 8.360 nan 0.000 0.449 271 L N 1.815 123.140 121.223 0.171 0.000 2.013 271 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 271 L C 2.588 179.554 176.870 0.158 0.000 1.073 271 L CA 2.079 57.029 54.840 0.183 0.000 0.753 271 L CB -0.637 41.580 42.059 0.264 0.000 0.890 271 L HN 0.086 nan 8.230 nan 0.000 0.432 272 R N -0.867 119.723 120.500 0.151 0.000 2.096 272 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 272 R C 2.154 178.569 176.300 0.192 0.000 1.127 272 R CA 1.273 57.480 56.100 0.178 0.000 0.968 272 R CB -0.352 30.003 30.300 0.092 0.000 0.861 272 R HN 0.526 nan 8.270 nan 0.000 0.440 273 A N 0.775 123.673 122.820 0.130 0.000 1.933 273 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 273 A C 2.112 179.753 177.584 0.096 0.000 1.175 273 A CA 1.115 53.217 52.037 0.107 0.000 0.628 273 A CB -0.377 18.671 19.000 0.079 0.000 0.814 273 A HN 0.329 nan 8.150 nan 0.000 0.444 274 L N -0.743 120.529 121.223 0.081 0.000 2.068 274 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 274 L C 2.494 179.359 176.870 -0.009 0.000 1.076 274 L CA 0.769 55.632 54.840 0.037 0.000 0.753 274 L CB -0.441 41.639 42.059 0.036 0.000 0.910 274 L HN 0.355 nan 8.230 nan 0.000 0.439 275 L N -0.906 120.314 121.223 -0.005 0.000 2.079 275 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 275 L C 2.582 179.417 176.870 -0.057 0.000 1.081 275 L CA 1.404 56.156 54.840 -0.145 0.000 0.752 275 L CB -1.038 40.916 42.059 -0.175 0.000 0.896 275 L HN 0.275 nan 8.230 nan 0.000 0.433 276 T N -0.796 113.875 114.554 0.194 0.000 2.708 276 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 276 T C 1.805 176.607 174.700 0.170 0.000 1.037 276 T CA 1.673 63.965 62.100 0.319 0.000 1.146 276 T CB -0.130 68.906 68.868 0.280 0.000 0.865 276 T HN 0.417 nan 8.240 nan 0.000 0.435 277 E N 0.870 121.124 120.200 0.089 0.000 2.085 277 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 277 E C 2.320 178.936 176.600 0.027 0.000 0.994 277 E CA 1.124 57.557 56.400 0.055 0.000 0.801 277 E CB -0.215 29.505 29.700 0.032 0.000 0.743 277 E HN 0.470 nan 8.360 nan 0.000 0.453 278 A N 0.485 123.263 122.820 -0.070 0.000 1.858 278 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 278 A C 1.915 179.410 177.584 -0.148 0.000 1.190 278 A CA 1.359 53.290 52.037 -0.176 0.000 0.617 278 A CB -0.987 17.752 19.000 -0.435 0.000 0.827 278 A HN 0.366 nan 8.150 nan 0.000 0.443 279 F N 0.321 120.146 119.950 -0.207 0.000 2.216 279 F HA -0.084 4.442 4.527 -0.000 0.000 0.300 279 F C 2.693 178.643 175.800 0.251 0.000 1.085 279 F CA 0.805 58.686 58.000 -0.198 0.000 1.326 279 F CB -0.504 38.307 39.000 -0.315 0.000 1.027 279 F HN 0.253 nan 8.300 nan 0.000 0.497 280 A N -0.529 122.484 122.820 0.321 0.000 2.121 280 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 280 A C 2.215 179.899 177.584 0.167 0.000 1.154 280 A CA 1.422 53.595 52.037 0.228 0.000 0.679 280 A CB -0.956 18.131 19.000 0.146 0.000 0.795 280 A HN 0.371 nan 8.150 nan 0.000 0.458 281 S N -1.223 114.593 115.700 0.194 0.000 2.527 281 S HA 0.074 4.544 4.470 -0.000 0.000 0.222 281 S C 0.668 175.027 174.600 -0.401 0.000 0.985 281 S CA 0.021 58.192 58.200 -0.049 0.000 0.921 281 S CB -0.240 62.950 63.200 -0.016 0.000 0.772 281 S HN 0.636 nan 8.310 nan 0.000 0.529 282 H N 0.854 119.970 119.070 0.076 0.000 2.977 282 H HA 0.377 4.933 4.556 -0.000 0.000 0.350 282 H C -1.250 174.007 175.328 -0.118 0.000 1.238 282 H CA -0.669 55.180 56.048 -0.332 0.000 1.124 282 H CB 1.248 30.241 29.762 -1.282 0.000 1.866 282 H HN 0.350 nan 8.280 nan 0.000 0.550 283 D N -0.371 119.998 120.400 -0.051 0.000 2.360 283 D HA 0.022 4.662 4.640 -0.000 0.000 0.242 283 D C 1.313 177.679 176.300 0.109 0.000 1.184 283 D CA -0.547 53.474 54.000 0.034 0.000 0.930 283 D CB 1.313 42.116 40.800 0.005 0.000 1.161 283 D HN 0.485 nan 8.370 nan 0.000 0.447 284 R N 0.120 120.714 120.500 0.158 0.000 2.096 284 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 284 R C 0.684 177.093 176.300 0.182 0.000 1.139 284 R CA 1.883 58.118 56.100 0.226 0.000 0.952 284 R CB -0.260 30.107 30.300 0.111 0.000 0.854 284 R HN 0.511 nan 8.270 nan 0.000 0.436 285 D N -0.767 119.681 120.400 0.080 0.000 2.224 285 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 285 D C 1.723 178.025 176.300 0.004 0.000 0.965 285 D CA 0.739 54.765 54.000 0.043 0.000 0.852 285 D CB -0.407 40.396 40.800 0.005 0.000 0.947 285 D HN 0.379 nan 8.370 nan 0.000 0.494 286 H N -0.500 118.468 119.070 -0.171 0.000 2.289 286 H HA -0.173 4.383 4.556 -0.000 0.000 0.296 286 H C 1.753 176.884 175.328 -0.328 0.000 1.091 286 H CA 1.812 57.636 56.048 -0.374 0.000 1.274 286 H CB -0.384 28.999 29.762 -0.632 0.000 1.364 286 H HN 0.295 nan 8.280 nan 0.000 0.490 287 W N 0.483 121.934 121.300 0.253 0.000 2.388 287 W HA -0.015 4.645 4.660 -0.000 0.000 0.294 287 W C 3.006 179.654 176.519 0.215 0.000 1.212 287 W CA 0.501 58.012 57.345 0.276 0.000 1.271 287 W CB -0.682 29.087 29.460 0.515 0.000 1.126 287 W HN 0.268 nan 8.180 nan 0.000 0.535 288 G N 0.873 109.874 108.800 0.334 0.000 2.469 288 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 288 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 288 G C 1.652 176.617 174.900 0.108 0.000 1.150 288 G CA 1.743 46.966 45.100 0.205 0.000 0.763 288 G HN 0.336 nan 8.290 nan 0.000 0.561 289 A N -0.090 122.727 122.820 -0.006 0.000 1.897 289 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 289 A C 2.614 180.107 177.584 -0.152 0.000 1.181 289 A CA 1.674 53.651 52.037 -0.100 0.000 0.620 289 A CB -0.631 18.256 19.000 -0.189 0.000 0.821 289 A HN 0.262 nan 8.150 nan 0.000 0.443 290 V N -1.214 118.551 119.914 -0.249 0.000 2.282 290 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 290 V C 1.774 177.622 176.094 -0.410 0.000 1.057 290 V CA 1.956 64.005 62.300 -0.418 0.000 1.032 290 V CB -0.854 30.633 31.823 -0.560 0.000 0.645 290 V HN 0.599 nan 8.190 nan 0.000 0.447 291 F N -0.465 119.537 119.950 0.086 0.000 2.668 291 F HA 0.468 4.995 4.527 -0.000 0.000 0.297 291 F C 1.778 177.586 175.800 0.014 0.000 1.124 291 F CA 0.339 58.373 58.000 0.057 0.000 1.353 291 F CB -0.292 38.765 39.000 0.094 0.000 0.992 291 F HN 0.028 nan 8.300 nan 0.000 0.524 292 A N 0.246 123.129 122.820 0.105 0.000 2.015 292 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 292 A C 1.985 179.587 177.584 0.030 0.000 1.163 292 A CA 1.496 53.565 52.037 0.053 0.000 0.646 292 A CB -0.217 18.790 19.000 0.011 0.000 0.806 292 A HN 0.374 nan 8.150 nan 0.000 0.448 293 N N -0.950 117.769 118.700 0.033 0.000 2.317 293 N HA 0.034 4.774 4.740 -0.000 0.000 0.199 293 N C 0.759 176.283 175.510 0.023 0.000 1.145 293 N CA 0.764 53.823 53.050 0.015 0.000 0.882 293 N CB 0.370 38.859 38.487 0.005 0.000 1.113 293 N HN 0.531 nan 8.380 nan 0.000 0.486 294 S N 0.470 116.207 115.700 0.062 0.000 2.661 294 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 294 S C 0.333 174.950 174.600 0.028 0.000 1.225 294 S CA -0.243 57.999 58.200 0.072 0.000 0.986 294 S CB 1.067 64.349 63.200 0.136 0.000 1.008 294 S HN -0.111 nan 8.310 nan 0.000 0.565 295 D N 0.446 120.861 120.400 0.025 0.000 2.413 295 D HA 0.363 5.003 4.640 -0.000 0.000 0.237 295 D C 1.360 177.600 176.300 -0.101 0.000 1.171 295 D CA 0.242 54.175 54.000 -0.111 0.000 0.839 295 D CB -0.286 40.494 40.800 -0.034 0.000 0.950 295 D HN 0.623 nan 8.370 nan 0.000 0.499 296 A N -0.577 122.238 122.820 -0.007 0.000 2.168 296 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 296 A C 1.482 178.971 177.584 -0.159 0.000 1.152 296 A CA 0.051 52.060 52.037 -0.047 0.000 0.716 296 A CB -0.478 18.468 19.000 -0.089 0.000 0.794 296 A HN 0.428 nan 8.150 nan 0.000 0.465 297 C N -1.054 118.133 119.300 -0.189 0.000 4.235 297 C HA -0.098 4.362 4.460 -0.000 0.000 0.301 297 C C 0.347 175.218 174.990 -0.200 0.000 1.409 297 C CA 0.198 59.108 59.018 -0.180 0.000 2.024 297 C CB -3.326 24.346 27.740 -0.114 0.000 1.286 297 C HN 0.399 nan 8.230 nan 0.000 0.746 298 V N 0.980 120.739 119.914 -0.258 0.000 2.409 298 V HA 0.785 4.905 4.120 -0.000 0.000 0.291 298 V C 0.381 176.425 176.094 -0.083 0.000 1.020 298 V CA 0.316 62.445 62.300 -0.285 0.000 0.848 298 V CB 2.278 33.693 31.823 -0.679 0.000 0.990 298 V HN 0.595 nan 8.190 nan 0.000 0.430 299 T N 3.357 117.869 114.554 -0.070 0.000 2.912 299 T HA 0.641 4.991 4.350 -0.000 0.000 0.299 299 T C -3.099 171.605 174.700 0.005 0.000 1.052 299 T CA -2.205 59.885 62.100 -0.016 0.000 0.996 299 T CB 2.484 71.320 68.868 -0.054 0.000 1.070 299 T HN 0.435 nan 8.240 nan 0.000 0.465 300 P HA 0.272 nan 4.420 nan 0.000 0.275 300 P C -0.486 176.823 177.300 0.015 0.000 1.227 300 P CA -0.417 62.714 63.100 0.052 0.000 0.781 300 P CB 0.814 32.549 31.700 0.057 0.000 0.906 301 V N 5.156 125.087 119.914 0.028 0.000 2.372 301 V HA 0.130 4.250 4.120 -0.000 0.000 0.261 301 V C 0.731 176.827 176.094 0.004 0.000 1.055 301 V CA -0.182 62.123 62.300 0.009 0.000 0.930 301 V CB -0.059 31.790 31.823 0.044 0.000 1.031 301 V HN 0.376 nan 8.190 nan 0.000 0.479 302 L N 4.627 125.825 121.223 -0.042 0.000 2.307 302 L HA 0.666 5.006 4.340 -0.000 0.000 0.282 302 L C 0.791 177.590 176.870 -0.117 0.000 1.051 302 L CA -0.350 54.456 54.840 -0.058 0.000 0.804 302 L CB 1.438 43.460 42.059 -0.061 0.000 1.197 302 L HN 0.674 nan 8.230 nan 0.000 0.431 303 A N 2.547 125.312 122.820 -0.092 0.000 2.366 303 A HA 0.277 4.597 4.320 -0.000 0.000 0.249 303 A C 0.886 178.403 177.584 -0.112 0.000 1.084 303 A CA -0.110 51.841 52.037 -0.142 0.000 0.794 303 A CB 0.058 19.038 19.000 -0.033 0.000 1.034 303 A HN 0.721 nan 8.150 nan 0.000 0.491 304 F N 1.431 121.374 119.950 -0.012 0.000 2.087 304 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 304 F C 2.509 178.274 175.800 -0.059 0.000 1.100 304 F CA 1.928 59.901 58.000 -0.045 0.000 1.226 304 F CB -0.404 38.581 39.000 -0.024 0.000 0.983 304 F HN 0.669 nan 8.300 nan 0.000 0.479 305 G N -0.820 108.091 108.800 0.185 0.000 2.509 305 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 305 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 305 G C 1.308 176.299 174.900 0.151 0.000 1.124 305 G CA 0.491 45.678 45.100 0.144 0.000 0.776 305 G HN 0.394 nan 8.290 nan 0.000 0.547 306 E N -0.179 120.052 120.200 0.051 0.000 2.452 306 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 306 E C 2.385 178.897 176.600 -0.146 0.000 1.022 306 E CA -0.216 56.156 56.400 -0.047 0.000 0.890 306 E CB 0.382 30.050 29.700 -0.053 0.000 0.918 306 E HN 0.265 nan 8.360 nan 0.000 0.496 307 V N 2.707 122.547 119.914 -0.123 0.000 2.392 307 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 307 V C 2.430 178.328 176.094 -0.327 0.000 1.059 307 V CA 2.183 64.360 62.300 -0.206 0.000 1.051 307 V CB -0.895 30.779 31.823 -0.248 0.000 0.658 307 V HN 0.536 nan 8.190 nan 0.000 0.455 308 H N -0.383 118.364 119.070 -0.539 0.000 2.559 308 H HA 0.004 4.560 4.556 -0.000 0.000 0.273 308 H C 1.238 176.335 175.328 -0.386 0.000 1.000 308 H CA 1.164 56.764 56.048 -0.746 0.000 1.195 308 H CB -0.330 28.677 29.762 -1.258 0.000 1.368 308 H HN 0.426 nan 8.280 nan 0.000 0.592 309 N N 0.747 119.017 118.700 -0.717 0.000 2.236 309 N HA -0.015 4.725 4.740 -0.000 0.000 0.196 309 N C -0.046 175.325 175.510 -0.233 0.000 1.114 309 N CA 0.074 52.842 53.050 -0.470 0.000 0.859 309 N CB 0.595 38.804 38.487 -0.463 0.000 0.982 309 N HN 0.423 nan 8.380 nan 0.000 0.493 310 E N 1.806 121.894 120.200 -0.186 0.000 2.180 310 E HA 0.177 4.527 4.350 -0.000 0.000 0.283 310 E C -1.671 174.905 176.600 -0.040 0.000 1.061 310 E CA -1.925 54.425 56.400 -0.084 0.000 0.861 310 E CB 1.286 30.959 29.700 -0.045 0.000 1.056 310 E HN -0.025 nan 8.360 nan 0.000 0.407 311 P HA -0.199 nan 4.420 nan 0.000 0.216 311 P C 0.701 178.021 177.300 0.034 0.000 1.153 311 P CA 1.370 64.473 63.100 0.004 0.000 0.858 311 P CB 0.053 31.762 31.700 0.015 0.000 0.789 312 H N -0.713 118.349 119.070 -0.013 0.000 2.387 312 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 312 H C 1.836 177.171 175.328 0.013 0.000 1.090 312 H CA 1.291 57.339 56.048 -0.000 0.000 1.332 312 H CB -0.555 29.207 29.762 -0.000 0.000 1.386 312 H HN -0.068 nan 8.280 nan 0.000 0.516 313 I N 0.144 120.733 120.570 0.033 0.000 2.202 313 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 313 I C 2.344 178.457 176.117 -0.006 0.000 1.091 313 I CA 1.120 62.439 61.300 0.031 0.000 1.368 313 I CB -0.970 37.076 38.000 0.077 0.000 1.058 313 I HN 0.339 nan 8.210 nan 0.000 0.410 314 I N 0.926 121.476 120.570 -0.033 0.000 2.127 314 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 314 I C 2.455 178.563 176.117 -0.015 0.000 1.075 314 I CA 1.545 62.832 61.300 -0.022 0.000 1.334 314 I CB -0.502 37.480 38.000 -0.030 0.000 1.040 314 I HN 0.244 nan 8.210 nan 0.000 0.405 315 E N 0.498 120.667 120.200 -0.052 0.000 2.204 315 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 315 E C 2.034 178.587 176.600 -0.078 0.000 0.990 315 E CA 0.813 57.179 56.400 -0.056 0.000 0.821 315 E CB -0.042 29.622 29.700 -0.062 0.000 0.750 315 E HN 0.459 nan 8.360 nan 0.000 0.477 316 R N 0.484 120.904 120.500 -0.133 0.000 2.317 316 R HA 0.095 4.435 4.340 -0.000 0.000 0.208 316 R C -0.059 176.216 176.300 -0.042 0.000 0.914 316 R CA -0.068 55.960 56.100 -0.120 0.000 1.060 316 R CB 0.195 30.363 30.300 -0.220 0.000 1.015 316 R HN 0.077 nan 8.270 nan 0.000 0.498 317 N N 0.993 119.699 118.700 0.010 0.000 2.714 317 N HA -0.167 4.573 4.740 -0.000 0.000 0.253 317 N C 0.178 175.722 175.510 0.057 0.000 1.024 317 N CA 1.061 54.159 53.050 0.081 0.000 0.726 317 N CB -1.011 37.526 38.487 0.083 0.000 0.908 317 N HN 0.215 nan 8.380 nan 0.000 0.542 318 T N -1.122 113.443 114.554 0.019 0.000 2.833 318 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 318 T C 0.596 175.110 174.700 -0.310 0.000 1.054 318 T CA 1.142 63.154 62.100 -0.146 0.000 1.135 318 T CB 0.016 68.793 68.868 -0.150 0.000 0.869 318 T HN 0.309 nan 8.240 nan 0.000 0.466 319 F N 0.118 120.161 119.950 0.155 0.000 2.579 319 F HA 0.563 5.090 4.527 -0.000 0.000 0.324 319 F C -0.398 175.682 175.800 0.467 0.000 1.058 319 F CA -1.883 56.283 58.000 0.277 0.000 0.944 319 F CB 1.398 40.532 39.000 0.223 0.000 1.245 319 F HN 0.070 nan 8.300 nan 0.000 0.477 320 Y N -1.655 118.957 120.300 0.521 0.000 2.536 320 Y HA 0.611 5.161 4.550 -0.000 0.000 0.347 320 Y C -0.783 175.240 175.900 0.204 0.000 1.000 320 Y CA -1.423 56.889 58.100 0.353 0.000 1.051 320 Y CB 0.923 39.474 38.460 0.152 0.000 1.259 320 Y HN 0.519 nan 8.280 nan 0.000 0.468 321 E N 1.762 121.829 120.200 -0.221 0.000 2.290 321 E HA 0.481 4.831 4.350 -0.000 0.000 0.277 321 E C -0.966 175.439 176.600 -0.325 0.000 1.035 321 E CA -0.354 55.644 56.400 -0.669 0.000 0.873 321 E CB 1.016 30.221 29.700 -0.824 0.000 1.029 321 E HN 0.725 nan 8.360 nan 0.000 0.419 322 A N 4.996 127.577 122.820 -0.398 0.000 2.323 322 A HA 0.183 4.503 4.320 -0.000 0.000 0.305 322 A C -0.033 177.444 177.584 -0.178 0.000 1.275 322 A CA -0.773 51.152 52.037 -0.188 0.000 0.804 322 A CB 0.579 19.465 19.000 -0.190 0.000 1.152 322 A HN 0.689 nan 8.150 nan 0.000 0.487 323 N N 1.425 120.050 118.700 -0.124 0.000 1.338 323 N HA -0.196 4.544 4.740 -0.000 0.000 0.401 323 N C 1.349 176.776 175.510 -0.138 0.000 1.167 323 N CA 2.570 55.550 53.050 -0.116 0.000 0.753 323 N CB 0.023 38.470 38.487 -0.067 0.000 0.952 323 N HN 1.840 nan 8.380 nan 0.000 0.556 324 G N 1.555 110.259 108.800 -0.160 0.000 3.079 324 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 324 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 324 G C 0.320 175.101 174.900 -0.199 0.000 1.335 324 G CA 0.427 45.439 45.100 -0.146 0.000 0.822 324 G HN 1.241 nan 8.290 nan 0.000 0.545 325 G N -1.756 106.895 108.800 -0.248 0.000 2.721 325 G HA2 0.525 4.485 3.960 -0.000 0.000 0.296 325 G HA3 0.525 4.485 3.960 -0.000 0.000 0.296 325 G C -1.321 173.355 174.900 -0.373 0.000 1.383 325 G CA -0.332 44.600 45.100 -0.280 0.000 0.788 325 G HN 0.572 nan 8.290 nan 0.000 0.500 326 W N 0.365 121.546 121.300 -0.197 0.000 2.251 326 W HA 0.643 5.303 4.660 -0.000 0.000 0.329 326 W C 0.246 176.667 176.519 -0.163 0.000 1.234 326 W CA -0.213 57.015 57.345 -0.195 0.000 1.228 326 W CB 1.051 30.384 29.460 -0.211 0.000 1.135 326 W HN 0.182 nan 8.180 nan 0.000 0.576 327 Q N 2.850 122.626 119.800 -0.039 0.000 2.423 327 Q HA 0.380 4.720 4.340 -0.000 0.000 0.278 327 Q C -2.486 173.618 176.000 0.174 0.000 1.097 327 Q CA -2.315 53.474 55.803 -0.023 0.000 0.809 327 Q CB 1.782 30.322 28.738 -0.330 0.000 1.391 327 Q HN 0.131 nan 8.270 nan 0.000 0.428 328 P HA 0.118 nan 4.420 nan 0.000 0.276 328 P C -0.245 177.126 177.300 0.118 0.000 1.230 328 P CA -0.202 62.800 63.100 -0.164 0.000 0.776 328 P CB 0.608 32.193 31.700 -0.192 0.000 0.888 329 M N 3.869 123.513 119.600 0.073 0.000 2.232 329 M HA 0.211 4.691 4.480 -0.000 0.000 0.321 329 M C -1.871 174.435 176.300 0.009 0.000 1.101 329 M CA -1.781 53.583 55.300 0.106 0.000 1.181 329 M CB -1.033 31.601 32.600 0.056 0.000 1.432 329 M HN 0.178 nan 8.290 nan 0.000 0.457 330 P HA 0.104 nan 4.420 nan 0.000 0.263 330 P C -1.244 176.056 177.300 0.001 0.000 1.175 330 P CA 0.204 63.308 63.100 0.006 0.000 0.761 330 P CB 0.346 32.058 31.700 0.019 0.000 0.794 331 A N 4.314 127.133 122.820 -0.003 0.000 2.413 331 A HA 0.784 5.104 4.320 -0.000 0.000 0.307 331 A C -2.288 175.295 177.584 -0.001 0.000 1.087 331 A CA -1.306 50.713 52.037 -0.030 0.000 0.750 331 A CB 0.595 19.566 19.000 -0.048 0.000 1.296 331 A HN 0.401 nan 8.150 nan 0.000 0.423 332 P HA 0.453 nan 4.420 nan 0.000 0.297 332 P C -0.825 176.256 177.300 -0.365 0.000 1.303 332 P CA -0.439 62.521 63.100 -0.234 0.000 0.753 332 P CB 0.587 32.077 31.700 -0.350 0.000 1.281 333 R N -1.035 119.197 120.500 -0.447 0.000 2.604 333 R HA 0.597 4.937 4.340 -0.000 0.000 0.287 333 R C -0.736 175.193 176.300 -0.619 0.000 0.970 333 R CA -0.427 55.459 56.100 -0.356 0.000 0.946 333 R CB 0.798 31.007 30.300 -0.152 0.000 1.127 333 R HN 0.356 nan 8.270 nan 0.000 0.473 334 F N -0.050 119.888 119.950 -0.021 0.000 2.507 334 F HA 0.175 4.702 4.527 -0.000 0.000 0.325 334 F C 1.442 177.233 175.800 -0.014 0.000 1.116 334 F CA -0.698 57.292 58.000 -0.017 0.000 0.930 334 F CB 2.138 41.127 39.000 -0.018 0.000 1.146 334 F HN 0.594 nan 8.300 nan 0.000 0.447 335 S N 2.101 117.877 115.700 0.126 0.000 2.406 335 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 335 S C 1.857 176.503 174.600 0.075 0.000 1.020 335 S CA 0.958 59.201 58.200 0.071 0.000 0.965 335 S CB -0.074 63.150 63.200 0.040 0.000 0.798 335 S HN 0.765 nan 8.310 nan 0.000 0.488 336 R N 1.487 122.044 120.500 0.094 0.000 2.121 336 R HA 0.085 4.425 4.340 -0.000 0.000 0.206 336 R C 0.220 176.547 176.300 0.045 0.000 1.094 336 R CA 1.313 57.448 56.100 0.058 0.000 1.055 336 R CB -0.010 30.317 30.300 0.045 0.000 0.964 336 R HN 0.506 nan 8.270 nan 0.000 0.473 337 T N -0.436 114.147 114.554 0.048 0.000 3.254 337 T HA 0.649 4.999 4.350 -0.000 0.000 0.385 337 T C -0.200 174.505 174.700 0.007 0.000 1.528 337 T CA -0.691 61.403 62.100 -0.010 0.000 1.212 337 T CB 1.215 70.035 68.868 -0.080 0.000 1.145 337 T HN 0.283 nan 8.240 nan 0.000 0.631 338 A N 2.648 125.497 122.820 0.049 0.000 2.407 338 A HA 0.610 4.930 4.320 -0.000 0.000 0.248 338 A C 0.742 178.346 177.584 0.034 0.000 1.082 338 A CA -0.600 51.491 52.037 0.090 0.000 0.785 338 A CB 0.150 19.189 19.000 0.065 0.000 1.020 338 A HN 0.731 nan 8.150 nan 0.000 0.489 339 S N 1.174 116.914 115.700 0.067 0.000 2.564 339 S HA 0.286 4.756 4.470 -0.000 0.000 0.278 339 S C 0.734 175.323 174.600 -0.018 0.000 1.333 339 S CA -0.402 57.804 58.200 0.009 0.000 1.048 339 S CB 0.602 63.827 63.200 0.041 0.000 0.900 339 S HN 0.752 nan 8.310 nan 0.000 0.505 340 S N 1.937 117.610 115.700 -0.046 0.000 2.593 340 S HA 0.111 4.581 4.470 -0.000 0.000 0.269 340 S C 0.311 174.839 174.600 -0.120 0.000 1.334 340 S CA -0.611 57.548 58.200 -0.069 0.000 1.015 340 S CB 0.363 63.523 63.200 -0.066 0.000 0.912 340 S HN 0.747 nan 8.310 nan 0.000 0.541 341 Q N 1.489 121.192 119.800 -0.161 0.000 2.300 341 Q HA 0.095 4.435 4.340 -0.000 0.000 0.280 341 Q C -2.397 173.415 176.000 -0.312 0.000 1.033 341 Q CA -1.254 54.358 55.803 -0.318 0.000 0.903 341 Q CB 0.095 28.646 28.738 -0.312 0.000 1.195 341 Q HN 0.230 nan 8.270 nan 0.000 0.386 342 P HA -0.001 nan 4.420 nan 0.000 0.268 342 P C -1.168 176.061 177.300 -0.119 0.000 1.205 342 P CA 0.311 63.292 63.100 -0.197 0.000 0.771 342 P CB 0.521 32.154 31.700 -0.112 0.000 0.858 343 R N 4.268 124.737 120.500 -0.052 0.000 2.340 343 R HA 0.280 4.620 4.340 -0.000 0.000 0.300 343 R C -1.919 174.390 176.300 0.015 0.000 1.069 343 R CA -1.615 54.473 56.100 -0.020 0.000 0.984 343 R CB -0.138 30.151 30.300 -0.019 0.000 1.003 343 R HN 0.436 nan 8.270 nan 0.000 0.459 344 P HA 0.077 nan 4.420 nan 0.000 0.270 344 P C -2.499 174.814 177.300 0.021 0.000 1.223 344 P CA -1.343 61.781 63.100 0.041 0.000 0.785 344 P CB -0.151 31.570 31.700 0.035 0.000 0.923 345 P HA 0.250 nan 4.420 nan 0.000 0.271 345 P C -0.553 176.749 177.300 0.003 0.000 1.216 345 P CA 0.288 63.394 63.100 0.010 0.000 0.776 345 P CB 0.371 32.078 31.700 0.012 0.000 0.881 346 A N 2.370 125.188 122.820 -0.003 0.000 2.414 346 A HA 0.796 5.116 4.320 -0.000 0.000 0.278 346 A C -0.409 177.168 177.584 -0.010 0.000 1.228 346 A CA -0.593 51.439 52.037 -0.007 0.000 0.857 346 A CB 0.386 19.379 19.000 -0.011 0.000 1.389 346 A HN 0.536 nan 8.150 nan 0.000 0.452 347 A N 0.105 122.917 122.820 -0.012 0.000 2.587 347 A HA 0.431 4.751 4.320 -0.000 0.000 0.233 347 A C 0.774 178.347 177.584 -0.019 0.000 1.049 347 A CA 0.841 52.870 52.037 -0.014 0.000 0.754 347 A CB -0.876 18.115 19.000 -0.015 0.000 0.977 347 A HN 0.902 nan 8.150 nan 0.000 0.509 348 T N 1.618 116.161 114.554 -0.018 0.000 2.906 348 T HA 0.373 4.723 4.350 -0.000 0.000 0.320 348 T C 0.470 175.152 174.700 -0.030 0.000 1.088 348 T CA 1.355 63.441 62.100 -0.024 0.000 1.120 348 T CB -0.258 68.599 68.868 -0.019 0.000 1.000 348 T HN 0.680 nan 8.240 nan 0.000 0.550 349 I N -1.108 119.437 120.570 -0.042 0.000 3.145 349 I HA 0.620 4.790 4.170 -0.000 0.000 0.313 349 I C -0.557 175.529 176.117 -0.053 0.000 1.122 349 I CA -1.476 59.795 61.300 -0.048 0.000 0.987 349 I CB 1.683 39.646 38.000 -0.060 0.000 1.236 349 I HN 0.243 nan 8.210 nan 0.000 0.453 350 D N 1.994 122.364 120.400 -0.051 0.000 2.417 350 D HA 0.114 4.754 4.640 -0.000 0.000 0.250 350 D C 0.863 177.121 176.300 -0.070 0.000 1.166 350 D CA 0.257 54.227 54.000 -0.050 0.000 0.881 350 D CB 1.068 41.844 40.800 -0.040 0.000 1.164 350 D HN 0.697 nan 8.370 nan 0.000 0.467 351 I N 3.293 123.823 120.570 -0.067 0.000 2.423 351 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 351 I C 1.668 177.734 176.117 -0.085 0.000 1.151 351 I CA 1.190 62.438 61.300 -0.086 0.000 1.421 351 I CB 0.245 38.209 38.000 -0.060 0.000 1.079 351 I HN 0.433 nan 8.210 nan 0.000 0.431 352 E N 0.792 120.957 120.200 -0.058 0.000 2.150 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 352 E C 2.213 178.779 176.600 -0.055 0.000 0.985 352 E CA 1.156 57.529 56.400 -0.045 0.000 0.814 352 E CB -0.151 29.533 29.700 -0.027 0.000 0.752 352 E HN 0.646 nan 8.360 nan 0.000 0.466 353 A N 0.792 123.571 122.820 -0.068 0.000 1.902 353 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 353 A C 2.563 180.080 177.584 -0.112 0.000 1.181 353 A CA 1.315 53.309 52.037 -0.072 0.000 0.623 353 A CB -0.584 18.376 19.000 -0.067 0.000 0.818 353 A HN 0.133 nan 8.150 nan 0.000 0.443 354 V N 0.183 119.989 119.914 -0.180 0.000 2.343 354 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 354 V C 2.545 178.467 176.094 -0.286 0.000 1.051 354 V CA 1.881 63.977 62.300 -0.339 0.000 1.036 354 V CB -0.824 30.715 31.823 -0.474 0.000 0.654 354 V HN 0.565 nan 8.190 nan 0.000 0.451 355 L N -0.297 120.837 121.223 -0.148 0.000 2.042 355 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 355 L C 2.679 179.569 176.870 0.034 0.000 1.076 355 L CA 2.109 56.937 54.840 -0.019 0.000 0.749 355 L CB -0.903 41.154 42.059 -0.003 0.000 0.893 355 L HN 0.386 nan 8.230 nan 0.000 0.432 356 T N -1.073 113.482 114.554 0.001 0.000 2.652 356 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 356 T C 1.495 176.226 174.700 0.050 0.000 1.039 356 T CA 1.785 63.898 62.100 0.021 0.000 1.153 356 T CB -0.287 68.582 68.868 0.001 0.000 0.863 356 T HN 0.362 nan 8.240 nan 0.000 0.428 357 D N -0.058 120.359 120.400 0.030 0.000 2.106 357 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 357 D C 1.371 177.822 176.300 0.252 0.000 0.997 357 D CA 1.084 55.134 54.000 0.084 0.000 0.834 357 D CB -0.228 40.569 40.800 -0.004 0.000 0.956 357 D HN 0.416 nan 8.370 nan 0.000 0.448 358 W N 0.921 122.217 121.300 -0.006 0.000 3.077 358 W HA 0.162 4.822 4.660 -0.000 0.000 0.245 358 W C 0.357 176.873 176.519 -0.005 0.000 1.316 358 W CA 0.879 58.220 57.345 -0.006 0.000 1.537 358 W CB -0.763 28.693 29.460 -0.006 0.000 1.131 358 W HN 0.189 nan 8.180 nan 0.000 0.695 359 D N -3.025 117.495 120.400 0.199 0.000 2.946 359 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 359 D C 0.906 177.264 176.300 0.096 0.000 1.068 359 D CA 1.465 55.531 54.000 0.110 0.000 1.011 359 D CB -1.403 39.443 40.800 0.075 0.000 1.105 359 D HN 0.250 nan 8.370 nan 0.000 0.425 360 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 45.163 45.100 0.105 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925