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 1yo6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSPGSVVVTG ANRGIGLGLV QQLVKDKNIR HIIATARDVE KATELKSIKD DATA SEQUENCE SRVHVLPLTV TCDKSLDTFV SKVGEIVGSD GLSLLINNAG VLLSYGTNTE DATA SEQUENCE PNRAVIAEQL DVNTTSVVLL TQKLLPLLKN AASKESGDQL SVSRAAVITI DATA SEQUENCE SSGLGSITDN TSGSAQFPVL AYRMSKAAIN MFGRTLAVDL KDDNVLVVNF DATA SEQUENCE CPGWXXXXXX XXXXXXXVEQ STAELISSFN KLDNSHNGRF FMRNLKPYEF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 S N 2.292 118.000 115.700 0.012 0.000 2.664 2 S HA 0.862 5.343 4.470 0.017 0.000 0.304 2 S C -2.585 172.025 174.600 0.017 0.000 1.099 2 S CA -1.123 57.087 58.200 0.016 0.000 1.003 2 S CB 1.659 64.866 63.200 0.011 0.000 1.092 2 S HN 0.457 nan 8.310 nan 0.000 0.525 3 P HA 0.247 nan 4.420 nan 0.000 0.284 3 P C 0.629 177.945 177.300 0.027 0.000 1.253 3 P CA -0.328 62.786 63.100 0.024 0.000 0.800 3 P CB 0.837 32.553 31.700 0.026 0.000 0.961 4 G N 2.266 111.085 108.800 0.031 0.000 2.408 4 G HA2 -0.054 3.916 3.960 0.017 0.000 0.217 4 G HA3 -0.054 3.916 3.960 0.017 0.000 0.217 4 G C 0.322 175.265 174.900 0.071 0.000 1.150 4 G CA 0.434 45.554 45.100 0.033 0.000 0.776 4 G HN 0.716 nan 8.290 nan 0.000 0.542 5 S N -1.169 114.591 115.700 0.101 0.000 2.548 5 S HA 0.690 5.171 4.470 0.017 0.000 0.276 5 S C -1.274 173.386 174.600 0.100 0.000 1.129 5 S CA -0.804 57.486 58.200 0.149 0.000 0.931 5 S CB 2.649 65.965 63.200 0.192 0.000 1.068 5 S HN 0.240 nan 8.310 nan 0.000 0.480 6 V N 1.832 121.814 119.914 0.113 0.000 2.789 6 V HA 0.667 4.798 4.120 0.017 0.000 0.311 6 V C -0.683 175.480 176.094 0.115 0.000 1.073 6 V CA -0.765 61.590 62.300 0.092 0.000 0.921 6 V CB 1.910 33.780 31.823 0.079 0.000 1.009 6 V HN 0.849 nan 8.190 nan 0.000 0.426 7 V N 4.117 124.100 119.914 0.114 0.000 2.459 7 V HA 0.602 4.733 4.120 0.017 0.000 0.295 7 V C -0.561 175.609 176.094 0.126 0.000 1.029 7 V CA -0.465 61.933 62.300 0.163 0.000 0.874 7 V CB 2.066 34.023 31.823 0.223 0.000 0.985 7 V HN 0.641 nan 8.190 nan 0.000 0.438 8 V N 3.987 123.974 119.914 0.122 0.000 2.419 8 V HA 0.349 4.479 4.120 0.017 0.000 0.287 8 V C 0.191 176.314 176.094 0.048 0.000 1.017 8 V CA -0.609 61.738 62.300 0.079 0.000 0.844 8 V CB 2.153 34.021 31.823 0.075 0.000 1.011 8 V HN 1.003 nan 8.190 nan 0.000 0.429 9 T N 0.690 115.249 114.554 0.009 0.000 2.869 9 T HA 0.550 4.911 4.350 0.017 0.000 0.295 9 T C 0.884 175.570 174.700 -0.023 0.000 0.987 9 T CA 0.430 62.498 62.100 -0.054 0.000 1.109 9 T CB 1.295 70.104 68.868 -0.097 0.000 0.932 9 T HN 2.028 nan 8.240 nan 0.000 0.518 10 G N 1.624 110.405 108.800 -0.032 0.000 2.368 10 G HA2 0.070 4.040 3.960 0.017 0.000 0.290 10 G HA3 0.070 4.040 3.960 0.017 0.000 0.290 10 G C 0.535 175.441 174.900 0.010 0.000 1.098 10 G CA -0.196 44.898 45.100 -0.010 0.000 1.073 10 G HN 1.541 nan 8.290 nan 0.000 0.511 11 A N 0.305 123.133 122.820 0.015 0.000 2.308 11 A HA 0.246 4.577 4.320 0.017 0.000 0.217 11 A C 2.011 179.608 177.584 0.022 0.000 1.216 11 A CA 0.981 53.033 52.037 0.025 0.000 0.864 11 A CB -0.182 18.839 19.000 0.035 0.000 0.902 11 A HN 0.812 nan 8.150 nan 0.000 0.499 12 N N 0.881 119.591 118.700 0.017 0.000 2.453 12 N HA -0.079 4.671 4.740 0.017 0.000 0.183 12 N C 0.413 175.933 175.510 0.016 0.000 1.041 12 N CA 1.010 54.070 53.050 0.016 0.000 0.900 12 N CB -0.152 38.343 38.487 0.013 0.000 0.961 12 N HN 0.685 nan 8.380 nan 0.000 0.443 13 R N -3.144 117.367 120.500 0.018 0.000 2.780 13 R HA 0.540 4.890 4.340 0.017 0.000 0.280 13 R C 0.265 176.578 176.300 0.022 0.000 1.016 13 R CA -0.314 55.797 56.100 0.019 0.000 0.854 13 R CB -0.037 30.274 30.300 0.019 0.000 1.293 13 R HN 0.022 nan 8.270 nan 0.000 0.483 14 G N 0.564 109.378 108.800 0.024 0.000 2.575 14 G HA2 -0.325 3.645 3.960 0.017 0.000 0.267 14 G HA3 -0.325 3.645 3.960 0.017 0.000 0.267 14 G C 0.654 175.569 174.900 0.025 0.000 1.264 14 G CA 0.440 45.557 45.100 0.028 0.000 0.935 14 G HN 0.713 nan 8.290 nan 0.000 0.568 15 I N 1.892 122.479 120.570 0.029 0.000 2.194 15 I HA -0.070 4.111 4.170 0.017 0.000 0.246 15 I C 3.122 179.258 176.117 0.030 0.000 1.093 15 I CA 2.710 64.026 61.300 0.027 0.000 1.355 15 I CB -0.961 37.061 38.000 0.037 0.000 1.046 15 I HN 0.769 nan 8.210 nan 0.000 0.413 16 G N 0.373 109.194 108.800 0.035 0.000 2.446 16 G HA2 -0.245 3.725 3.960 0.017 0.000 0.217 16 G HA3 -0.245 3.725 3.960 0.017 0.000 0.217 16 G C 1.669 176.588 174.900 0.032 0.000 1.168 16 G CA 0.938 46.060 45.100 0.037 0.000 0.771 16 G HN 0.333 nan 8.290 nan 0.000 0.551 17 L N 1.524 122.762 121.223 0.025 0.000 2.027 17 L HA 0.197 4.548 4.340 0.017 0.000 0.206 17 L C 2.844 179.723 176.870 0.016 0.000 1.074 17 L CA 2.353 57.206 54.840 0.021 0.000 0.745 17 L CB -1.102 40.967 42.059 0.017 0.000 0.898 17 L HN 0.170 nan 8.230 nan 0.000 0.433 18 G N -0.325 108.481 108.800 0.012 0.000 2.440 18 G HA2 -0.267 3.703 3.960 0.017 0.000 0.218 18 G HA3 -0.267 3.703 3.960 0.017 0.000 0.218 18 G C 1.650 176.549 174.900 -0.001 0.000 1.154 18 G CA 1.163 46.264 45.100 0.001 0.000 0.767 18 G HN 0.433 nan 8.290 nan 0.000 0.552 19 L N 0.157 121.385 121.223 0.009 0.000 2.079 19 L HA -0.110 4.240 4.340 0.017 0.000 0.210 19 L C 2.998 179.887 176.870 0.031 0.000 1.081 19 L CA 0.534 55.386 54.840 0.021 0.000 0.752 19 L CB -0.362 41.731 42.059 0.058 0.000 0.896 19 L HN 0.120 nan 8.230 nan 0.000 0.433 20 V N -0.565 119.368 119.914 0.032 0.000 2.358 20 V HA -0.274 3.857 4.120 0.017 0.000 0.246 20 V C 2.370 178.475 176.094 0.017 0.000 1.047 20 V CA 1.604 63.923 62.300 0.032 0.000 1.035 20 V CB -0.529 31.313 31.823 0.032 0.000 0.658 20 V HN 0.518 nan 8.190 nan 0.000 0.452 21 Q N -0.656 119.149 119.800 0.009 0.000 2.119 21 Q HA -0.204 4.146 4.340 0.017 0.000 0.201 21 Q C 2.363 178.361 176.000 -0.004 0.000 0.972 21 Q CA 1.203 57.007 55.803 0.001 0.000 0.847 21 Q CB -0.213 28.523 28.738 -0.002 0.000 0.903 21 Q HN 0.578 nan 8.270 nan 0.000 0.433 22 Q N 0.169 119.965 119.800 -0.007 0.000 2.119 22 Q HA -0.098 4.252 4.340 0.017 0.000 0.201 22 Q C 2.113 178.111 176.000 -0.004 0.000 0.972 22 Q CA 0.890 56.682 55.803 -0.017 0.000 0.847 22 Q CB -0.096 28.619 28.738 -0.037 0.000 0.903 22 Q HN 0.292 nan 8.270 nan 0.000 0.433 23 L N 0.489 121.720 121.223 0.014 0.000 2.056 23 L HA -0.128 4.223 4.340 0.017 0.000 0.207 23 L C 2.500 179.378 176.870 0.014 0.000 1.078 23 L CA 1.297 56.153 54.840 0.026 0.000 0.749 23 L CB -1.402 40.684 42.059 0.045 0.000 0.901 23 L HN 0.139 nan 8.230 nan 0.000 0.433 24 V N -3.273 116.645 119.914 0.006 0.000 2.594 24 V HA -0.226 3.905 4.120 0.017 0.000 0.253 24 V C 2.236 178.326 176.094 -0.006 0.000 1.069 24 V CA 1.284 63.583 62.300 -0.003 0.000 1.082 24 V CB -1.033 30.785 31.823 -0.007 0.000 0.680 24 V HN 0.382 nan 8.190 nan 0.000 0.469 25 K N 0.749 121.146 120.400 -0.006 0.000 2.362 25 K HA -0.066 4.265 4.320 0.017 0.000 0.200 25 K C 0.852 177.447 176.600 -0.008 0.000 1.046 25 K CA 1.072 57.354 56.287 -0.009 0.000 0.952 25 K CB -0.187 32.305 32.500 -0.012 0.000 0.753 25 K HN 0.524 nan 8.250 nan 0.000 0.466 26 D N 1.394 121.792 120.400 -0.004 0.000 2.441 26 D HA 0.048 4.699 4.640 0.017 0.000 0.221 26 D C 0.156 176.452 176.300 -0.007 0.000 1.156 26 D CA 0.002 54.000 54.000 -0.003 0.000 0.896 26 D CB 0.681 41.484 40.800 0.005 0.000 1.028 26 D HN -0.049 nan 8.370 nan 0.000 0.509 27 K N 2.072 122.465 120.400 -0.011 0.000 2.442 27 K HA -0.040 4.290 4.320 0.017 0.000 0.198 27 K C 0.907 177.495 176.600 -0.020 0.000 1.042 27 K CA 0.335 56.612 56.287 -0.016 0.000 0.958 27 K CB 0.321 32.812 32.500 -0.015 0.000 0.766 27 K HN 0.269 nan 8.250 nan 0.000 0.474 28 N N 0.821 119.511 118.700 -0.016 0.000 2.467 28 N HA 0.056 4.806 4.740 0.017 0.000 0.184 28 N C 0.270 175.765 175.510 -0.024 0.000 1.106 28 N CA 0.397 53.436 53.050 -0.018 0.000 0.892 28 N CB 0.259 38.739 38.487 -0.010 0.000 0.969 28 N HN 0.163 nan 8.380 nan 0.000 0.454 29 I N 1.302 121.860 120.570 -0.021 0.000 2.441 29 I HA 0.066 4.247 4.170 0.017 0.000 0.287 29 I C 1.584 177.663 176.117 -0.063 0.000 1.049 29 I CA -0.221 61.066 61.300 -0.021 0.000 1.381 29 I CB 1.206 39.209 38.000 0.005 0.000 1.409 29 I HN -0.098 nan 8.210 nan 0.000 0.523 30 R N 3.725 124.156 120.500 -0.115 0.000 2.055 30 R HA 0.050 4.400 4.340 0.017 0.000 0.226 30 R C -0.020 176.032 176.300 -0.412 0.000 1.135 30 R CA 0.913 56.832 56.100 -0.301 0.000 0.959 30 R CB -0.072 29.980 30.300 -0.414 0.000 0.854 30 R HN 0.608 nan 8.270 nan 0.000 0.431 31 H N -1.139 117.974 119.070 0.073 0.000 2.622 31 H HA 0.473 5.039 4.556 0.017 0.000 0.363 31 H C -0.832 174.560 175.328 0.106 0.000 1.151 31 H CA -0.623 55.502 56.048 0.127 0.000 1.184 31 H CB 2.374 32.215 29.762 0.133 0.000 1.643 31 H HN -0.064 nan 8.280 nan 0.000 0.531 32 I N 3.632 124.354 120.570 0.254 0.000 2.517 32 I HA 0.221 4.402 4.170 0.017 0.000 0.280 32 I C -0.819 175.416 176.117 0.197 0.000 1.061 32 I CA -0.256 61.140 61.300 0.159 0.000 1.091 32 I CB 1.123 39.165 38.000 0.070 0.000 1.205 32 I HN 0.416 nan 8.210 nan 0.000 0.459 33 I N 5.818 126.512 120.570 0.207 0.000 2.291 33 I HA 0.466 4.647 4.170 0.017 0.000 0.290 33 I C 0.525 176.761 176.117 0.199 0.000 1.050 33 I CA -0.166 61.268 61.300 0.224 0.000 1.245 33 I CB 1.111 39.227 38.000 0.193 0.000 1.405 33 I HN 0.532 nan 8.210 nan 0.000 0.478 34 A N 4.828 127.750 122.820 0.170 0.000 2.317 34 A HA 0.757 5.088 4.320 0.017 0.000 0.327 34 A C 0.092 177.750 177.584 0.124 0.000 1.178 34 A CA -0.452 51.658 52.037 0.122 0.000 0.817 34 A CB 1.049 20.097 19.000 0.080 0.000 1.189 34 A HN 0.674 nan 8.150 nan 0.000 0.489 35 T N -0.786 113.808 114.554 0.067 0.000 2.912 35 T HA 0.837 5.198 4.350 0.017 0.000 0.288 35 T C -0.439 174.253 174.700 -0.012 0.000 1.030 35 T CA -0.081 62.026 62.100 0.013 0.000 1.020 35 T CB 1.729 70.507 68.868 -0.151 0.000 1.056 35 T HN 1.951 nan 8.240 nan 0.000 0.480 36 A N 2.055 124.868 122.820 -0.012 0.000 2.520 36 A HA 0.673 5.004 4.320 0.017 0.000 0.298 36 A C 0.896 178.469 177.584 -0.018 0.000 1.051 36 A CA -0.909 51.122 52.037 -0.010 0.000 0.690 36 A CB 1.718 20.724 19.000 0.009 0.000 1.281 36 A HN 0.993 nan 8.150 nan 0.000 0.402 37 R N 0.422 120.909 120.500 -0.021 0.000 2.066 37 R HA -0.084 4.266 4.340 0.017 0.000 0.232 37 R C -0.426 175.871 176.300 -0.005 0.000 1.131 37 R CA 1.699 57.788 56.100 -0.020 0.000 0.955 37 R CB 0.167 30.457 30.300 -0.017 0.000 0.851 37 R HN 0.710 nan 8.270 nan 0.000 0.432 38 D N 0.842 121.243 120.400 0.001 0.000 2.477 38 D HA 0.014 4.664 4.640 0.017 0.000 0.239 38 D C 0.760 177.067 176.300 0.011 0.000 1.102 38 D CA -0.110 53.894 54.000 0.007 0.000 0.901 38 D CB 1.779 42.583 40.800 0.007 0.000 1.026 38 D HN 0.054 nan 8.370 nan 0.000 0.515 39 V N 3.943 123.867 119.914 0.017 0.000 2.270 39 V HA -0.125 4.005 4.120 0.017 0.000 0.245 39 V C 1.904 178.010 176.094 0.020 0.000 1.043 39 V CA 1.940 64.254 62.300 0.022 0.000 1.014 39 V CB -0.273 31.570 31.823 0.032 0.000 0.645 39 V HN 0.617 nan 8.190 nan 0.000 0.447 40 E N -0.628 119.583 120.200 0.019 0.000 2.339 40 E HA -0.284 4.076 4.350 0.017 0.000 0.201 40 E C 2.014 178.623 176.600 0.014 0.000 1.015 40 E CA 1.450 57.860 56.400 0.016 0.000 0.841 40 E CB -0.019 29.690 29.700 0.015 0.000 0.754 40 E HN 0.654 nan 8.360 nan 0.000 0.508 41 K N -0.741 119.667 120.400 0.013 0.000 2.334 41 K HA 0.157 4.488 4.320 0.017 0.000 0.195 41 K C 0.620 177.227 176.600 0.013 0.000 1.045 41 K CA 0.377 56.672 56.287 0.012 0.000 1.004 41 K CB 0.648 33.155 32.500 0.011 0.000 0.837 41 K HN -0.059 nan 8.250 nan 0.000 0.510 42 A N 2.447 125.276 122.820 0.014 0.000 3.030 42 A HA 0.017 4.347 4.320 0.017 0.000 0.273 42 A C 1.321 178.914 177.584 0.015 0.000 1.841 42 A CA 0.114 52.160 52.037 0.015 0.000 1.479 42 A CB -0.897 18.114 19.000 0.018 0.000 1.048 42 A HN 0.364 nan 8.150 nan 0.000 0.612 43 T N -1.280 113.282 114.554 0.013 0.000 2.770 43 T HA -0.181 4.179 4.350 0.017 0.000 0.263 43 T C 1.550 176.257 174.700 0.010 0.000 1.039 43 T CA 1.398 63.505 62.100 0.011 0.000 1.142 43 T CB -0.332 68.542 68.868 0.010 0.000 0.868 43 T HN 0.627 nan 8.240 nan 0.000 0.435 44 E N 0.585 120.792 120.200 0.010 0.000 2.153 44 E HA -0.040 4.320 4.350 0.017 0.000 0.194 44 E C 2.162 178.768 176.600 0.010 0.000 0.988 44 E CA 0.597 57.003 56.400 0.009 0.000 0.811 44 E CB -0.243 29.462 29.700 0.010 0.000 0.746 44 E HN 0.566 nan 8.360 nan 0.000 0.466 45 L N 0.512 121.743 121.223 0.013 0.000 2.044 45 L HA -0.155 4.196 4.340 0.017 0.000 0.205 45 L C 2.173 179.050 176.870 0.013 0.000 1.075 45 L CA 1.383 56.232 54.840 0.015 0.000 0.747 45 L CB -0.135 41.935 42.059 0.020 0.000 0.903 45 L HN 0.076 nan 8.230 nan 0.000 0.435 46 K N -0.094 120.314 120.400 0.013 0.000 2.057 46 K HA -0.159 4.171 4.320 0.017 0.000 0.207 46 K C 2.124 178.728 176.600 0.006 0.000 1.049 46 K CA 1.654 57.949 56.287 0.012 0.000 0.931 46 K CB -0.177 32.331 32.500 0.014 0.000 0.714 46 K HN 0.491 nan 8.250 nan 0.000 0.440 47 S N 1.232 116.936 115.700 0.006 0.000 2.440 47 S HA -0.135 4.345 4.470 0.017 0.000 0.240 47 S C 0.974 175.573 174.600 -0.001 0.000 1.014 47 S CA 0.514 58.716 58.200 0.003 0.000 0.980 47 S CB -0.771 62.431 63.200 0.004 0.000 0.775 47 S HN 0.173 nan 8.310 nan 0.000 0.499 48 I N 2.821 123.390 120.570 -0.001 0.000 2.752 48 I HA -0.014 4.166 4.170 0.017 0.000 0.286 48 I C 1.467 177.577 176.117 -0.012 0.000 1.180 48 I CA -0.277 61.019 61.300 -0.006 0.000 1.404 48 I CB 0.387 38.383 38.000 -0.006 0.000 1.389 48 I HN 0.177 nan 8.210 nan 0.000 0.549 49 K N 4.431 124.823 120.400 -0.013 0.000 1.986 49 K HA -0.132 4.198 4.320 0.017 0.000 0.216 49 K C 0.389 176.973 176.600 -0.026 0.000 1.012 49 K CA 0.552 56.830 56.287 -0.015 0.000 1.025 49 K CB -0.463 32.030 32.500 -0.012 0.000 0.975 49 K HN 0.841 nan 8.250 nan 0.000 0.453 50 D N 0.799 121.184 120.400 -0.026 0.000 4.807 50 D HA -0.165 4.485 4.640 0.017 0.000 0.089 50 D C 0.645 176.911 176.300 -0.056 0.000 0.920 50 D CA 1.037 55.016 54.000 -0.035 0.000 0.535 50 D CB 0.344 41.125 40.800 -0.033 0.000 1.119 50 D HN 0.363 nan 8.370 nan 0.000 0.589 51 S N 3.506 119.176 115.700 -0.050 0.000 2.469 51 S HA -0.259 4.221 4.470 0.017 0.000 0.238 51 S C 1.698 176.222 174.600 -0.127 0.000 0.998 51 S CA 1.093 59.256 58.200 -0.062 0.000 0.957 51 S CB -0.333 62.855 63.200 -0.020 0.000 0.764 51 S HN 0.774 nan 8.310 nan 0.000 0.514 52 R N 1.060 121.485 120.500 -0.125 0.000 2.313 52 R HA 0.288 4.639 4.340 0.017 0.000 0.199 52 R C 0.524 176.612 176.300 -0.353 0.000 0.958 52 R CA 0.210 56.215 56.100 -0.158 0.000 1.047 52 R CB -0.706 29.558 30.300 -0.060 0.000 0.955 52 R HN 0.398 nan 8.270 nan 0.000 0.481 53 V N 3.477 123.189 119.914 -0.338 0.000 2.406 53 V HA 0.176 4.306 4.120 0.017 0.000 0.272 53 V C -0.872 174.984 176.094 -0.397 0.000 1.043 53 V CA -0.649 61.487 62.300 -0.272 0.000 0.915 53 V CB 0.767 32.530 31.823 -0.101 0.000 0.988 53 V HN 0.295 nan 8.190 nan 0.000 0.466 54 H N 5.772 124.883 119.070 0.067 0.000 2.581 54 H HA 0.354 4.921 4.556 0.017 0.000 0.308 54 H C -0.473 174.897 175.328 0.070 0.000 1.040 54 H CA -0.523 55.560 56.048 0.059 0.000 1.231 54 H CB 1.695 31.486 29.762 0.047 0.000 1.396 54 H HN 0.491 nan 8.280 nan 0.000 0.467 55 V N 6.613 126.609 119.914 0.135 0.000 2.338 55 V HA 0.108 4.238 4.120 0.017 0.000 0.255 55 V C 0.546 176.715 176.094 0.125 0.000 1.082 55 V CA -0.159 62.208 62.300 0.111 0.000 0.951 55 V CB -0.254 31.609 31.823 0.067 0.000 1.102 55 V HN 0.494 nan 8.190 nan 0.000 0.489 56 L N 7.723 129.045 121.223 0.164 0.000 2.334 56 L HA 0.586 4.936 4.340 0.017 0.000 0.275 56 L C -2.111 174.846 176.870 0.143 0.000 1.036 56 L CA -1.958 52.989 54.840 0.178 0.000 0.807 56 L CB 2.296 44.521 42.059 0.277 0.000 1.231 56 L HN 0.347 nan 8.230 nan 0.000 0.438 57 P HA 0.291 nan 4.420 nan 0.000 0.279 57 P C -1.249 176.075 177.300 0.040 0.000 1.239 57 P CA -0.363 62.773 63.100 0.060 0.000 0.789 57 P CB 2.063 33.795 31.700 0.054 0.000 0.933 58 L N 2.171 123.370 121.223 -0.040 0.000 2.676 58 L HA 0.383 4.733 4.340 0.017 0.000 0.262 58 L C -1.223 175.585 176.870 -0.104 0.000 0.932 58 L CA 0.079 54.846 54.840 -0.123 0.000 0.932 58 L CB 1.860 43.694 42.059 -0.375 0.000 1.355 58 L HN 0.227 nan 8.230 nan 0.000 0.421 59 T N 4.454 118.964 114.554 -0.075 0.000 2.821 59 T HA 0.297 4.658 4.350 0.017 0.000 0.307 59 T C 1.341 175.999 174.700 -0.070 0.000 1.034 59 T CA 0.127 62.192 62.100 -0.057 0.000 0.953 59 T CB 0.969 69.819 68.868 -0.030 0.000 0.968 59 T HN 0.645 nan 8.240 nan 0.000 0.462 60 V N 2.065 121.928 119.914 -0.085 0.000 2.867 60 V HA -0.094 4.037 4.120 0.017 0.000 0.260 60 V C 2.089 178.147 176.094 -0.061 0.000 1.099 60 V CA 1.985 64.233 62.300 -0.086 0.000 1.122 60 V CB -1.427 30.343 31.823 -0.088 0.000 0.708 60 V HN 0.895 nan 8.190 nan 0.000 0.490 61 T N -3.429 111.097 114.554 -0.047 0.000 3.081 61 T HA 0.130 4.491 4.350 0.017 0.000 0.250 61 T C 0.816 175.498 174.700 -0.031 0.000 1.100 61 T CA 0.511 62.588 62.100 -0.039 0.000 1.038 61 T CB -0.734 68.115 68.868 -0.032 0.000 0.962 61 T HN 0.600 nan 8.240 nan 0.000 0.516 62 C N 2.790 122.074 119.300 -0.027 0.000 2.251 62 C HA 0.402 4.873 4.460 0.017 0.000 0.323 62 C C 1.283 176.267 174.990 -0.011 0.000 1.241 62 C CA -0.868 58.141 59.018 -0.016 0.000 1.601 62 C CB -0.337 27.396 27.740 -0.011 0.000 2.251 62 C HN 0.408 nan 8.230 nan 0.000 0.488 63 D N 2.868 123.262 120.400 -0.009 0.000 2.309 63 D HA -0.093 4.558 4.640 0.017 0.000 0.212 63 D C 1.509 177.815 176.300 0.011 0.000 0.968 63 D CA 1.090 55.089 54.000 -0.002 0.000 0.882 63 D CB 0.285 41.082 40.800 -0.006 0.000 0.918 63 D HN 0.646 nan 8.370 nan 0.000 0.503 64 K N 0.431 120.837 120.400 0.011 0.000 2.098 64 K HA 0.015 4.345 4.320 0.017 0.000 0.203 64 K C 2.104 178.723 176.600 0.032 0.000 1.051 64 K CA 0.212 56.510 56.287 0.018 0.000 0.957 64 K CB -0.498 32.009 32.500 0.012 0.000 0.738 64 K HN -0.040 nan 8.250 nan 0.000 0.447 65 S N 0.997 116.714 115.700 0.028 0.000 2.447 65 S HA 0.017 4.498 4.470 0.017 0.000 0.233 65 S C 1.902 176.548 174.600 0.078 0.000 1.006 65 S CA 0.460 58.685 58.200 0.042 0.000 0.957 65 S CB -0.013 63.194 63.200 0.011 0.000 0.773 65 S HN 0.167 nan 8.310 nan 0.000 0.507 66 L N 0.709 121.969 121.223 0.062 0.000 2.068 66 L HA -0.021 4.329 4.340 0.017 0.000 0.204 66 L C 2.200 179.161 176.870 0.151 0.000 1.076 66 L CA 1.329 56.231 54.840 0.103 0.000 0.753 66 L CB -0.510 41.578 42.059 0.049 0.000 0.910 66 L HN 0.245 nan 8.230 nan 0.000 0.439 67 D N -0.659 119.791 120.400 0.084 0.000 2.117 67 D HA -0.158 4.492 4.640 0.017 0.000 0.197 67 D C 2.090 178.423 176.300 0.055 0.000 0.987 67 D CA 1.580 55.615 54.000 0.058 0.000 0.829 67 D CB -0.324 40.494 40.800 0.030 0.000 0.961 67 D HN 0.223 nan 8.370 nan 0.000 0.460 68 T N 0.591 115.186 114.554 0.069 0.000 2.708 68 T HA -0.155 4.206 4.350 0.017 0.000 0.266 68 T C 1.714 176.455 174.700 0.068 0.000 1.037 68 T CA 0.831 62.964 62.100 0.055 0.000 1.146 68 T CB -0.490 68.415 68.868 0.062 0.000 0.865 68 T HN 0.155 nan 8.240 nan 0.000 0.435 69 F N 2.015 121.958 119.950 -0.012 0.000 2.102 69 F HA -0.115 4.423 4.527 0.018 0.000 0.298 69 F C 2.199 177.989 175.800 -0.017 0.000 1.105 69 F CA 0.823 58.816 58.000 -0.012 0.000 1.239 69 F CB -0.646 38.350 39.000 -0.005 0.000 0.991 69 F HN -0.094 nan 8.300 nan 0.000 0.474 70 V N -0.443 119.431 119.914 -0.067 0.000 2.392 70 V HA -0.300 3.830 4.120 0.017 0.000 0.249 70 V C 2.574 178.537 176.094 -0.217 0.000 1.059 70 V CA 2.096 64.291 62.300 -0.175 0.000 1.051 70 V CB -1.051 30.779 31.823 0.011 0.000 0.658 70 V HN 0.402 nan 8.190 nan 0.000 0.455 71 S N -0.893 114.724 115.700 -0.139 0.000 2.368 71 S HA -0.170 4.310 4.470 0.017 0.000 0.224 71 S C 2.025 176.520 174.600 -0.174 0.000 1.029 71 S CA 1.394 59.520 58.200 -0.123 0.000 0.988 71 S CB -0.172 62.986 63.200 -0.070 0.000 0.838 71 S HN 0.586 nan 8.310 nan 0.000 0.462 72 K N 0.870 121.145 120.400 -0.209 0.000 2.026 72 K HA -0.103 4.228 4.320 0.017 0.000 0.208 72 K C 2.198 178.610 176.600 -0.313 0.000 1.048 72 K CA 1.685 57.837 56.287 -0.225 0.000 0.929 72 K CB -0.614 31.774 32.500 -0.187 0.000 0.713 72 K HN 0.442 nan 8.250 nan 0.000 0.439 73 V N -1.066 118.566 119.914 -0.470 0.000 2.490 73 V HA -0.104 4.026 4.120 0.017 0.000 0.250 73 V C 2.026 177.939 176.094 -0.302 0.000 1.061 73 V CA 2.129 64.165 62.300 -0.440 0.000 1.064 73 V CB -1.268 30.209 31.823 -0.576 0.000 0.670 73 V HN 0.316 nan 8.190 nan 0.000 0.461 74 G N -0.236 108.413 108.800 -0.251 0.000 2.402 74 G HA2 -0.237 3.734 3.960 0.017 0.000 0.216 74 G HA3 -0.237 3.734 3.960 0.017 0.000 0.216 74 G C 1.580 176.381 174.900 -0.165 0.000 1.162 74 G CA 0.787 45.784 45.100 -0.172 0.000 0.777 74 G HN 0.544 nan 8.290 nan 0.000 0.539 75 E N 0.670 120.766 120.200 -0.173 0.000 2.153 75 E HA -0.086 4.275 4.350 0.017 0.000 0.194 75 E C 2.476 178.956 176.600 -0.200 0.000 0.988 75 E CA 0.620 56.928 56.400 -0.154 0.000 0.811 75 E CB -0.179 29.439 29.700 -0.136 0.000 0.746 75 E HN 0.535 nan 8.360 nan 0.000 0.466 76 I N 0.785 121.182 120.570 -0.287 0.000 2.162 76 I HA -0.213 3.967 4.170 0.017 0.000 0.238 76 I C 2.627 178.450 176.117 -0.489 0.000 1.076 76 I CA 1.212 62.254 61.300 -0.431 0.000 1.353 76 I CB -0.546 37.112 38.000 -0.570 0.000 1.063 76 I HN 0.011 nan 8.210 nan 0.000 0.408 77 V N -0.191 119.486 119.914 -0.396 0.000 2.913 77 V HA 0.170 4.301 4.120 0.017 0.000 0.260 77 V C 1.390 177.418 176.094 -0.111 0.000 1.098 77 V CA 0.503 62.651 62.300 -0.253 0.000 1.121 77 V CB -1.847 29.898 31.823 -0.129 0.000 0.714 77 V HN 0.611 nan 8.190 nan 0.000 0.487 78 G N 1.408 110.137 108.800 -0.118 0.000 2.578 78 G HA2 -0.396 3.575 3.960 0.017 0.000 0.284 78 G HA3 -0.396 3.575 3.960 0.017 0.000 0.284 78 G C 0.988 175.865 174.900 -0.038 0.000 1.283 78 G CA 1.708 46.769 45.100 -0.065 0.000 0.944 78 G HN 1.679 nan 8.290 nan 0.000 0.558 79 S N -0.320 115.368 115.700 -0.020 0.000 2.537 79 S HA -0.067 4.413 4.470 0.017 0.000 0.240 79 S C 1.504 176.103 174.600 -0.001 0.000 0.981 79 S CA 1.936 60.129 58.200 -0.011 0.000 0.948 79 S CB -0.110 63.087 63.200 -0.006 0.000 0.759 79 S HN 0.583 nan 8.310 nan 0.000 0.531 80 D N 1.861 122.266 120.400 0.008 0.000 2.178 80 D HA 0.188 4.838 4.640 0.017 0.000 0.202 80 D C 1.376 177.686 176.300 0.016 0.000 0.974 80 D CA 1.278 55.291 54.000 0.023 0.000 0.841 80 D CB -0.584 40.249 40.800 0.054 0.000 0.953 80 D HN 0.689 nan 8.370 nan 0.000 0.478 81 G N 0.424 109.225 108.800 0.002 0.000 2.756 81 G HA2 -0.221 3.750 3.960 0.017 0.000 0.678 81 G HA3 -0.221 3.750 3.960 0.017 0.000 0.678 81 G C -0.869 174.033 174.900 0.005 0.000 1.349 81 G CA -0.556 44.543 45.100 -0.002 0.000 0.847 81 G HN 0.246 nan 8.290 nan 0.000 0.548 82 L N 1.301 122.526 121.223 0.002 0.000 2.265 82 L HA 0.498 4.848 4.340 0.017 0.000 0.289 82 L C 1.376 178.259 176.870 0.021 0.000 1.033 82 L CA -0.318 54.530 54.840 0.012 0.000 0.814 82 L CB 1.311 43.373 42.059 0.005 0.000 1.203 82 L HN 0.724 nan 8.230 nan 0.000 0.423 83 S N 4.893 120.612 115.700 0.031 0.000 2.348 83 S HA 0.156 4.636 4.470 0.017 0.000 0.219 83 S C 0.528 175.136 174.600 0.013 0.000 1.033 83 S CA 0.519 58.733 58.200 0.023 0.000 0.974 83 S CB 0.173 63.390 63.200 0.028 0.000 0.868 83 S HN 0.543 nan 8.310 nan 0.000 0.459 84 L N 2.379 123.612 121.223 0.018 0.000 2.349 84 L HA 0.521 4.871 4.340 0.017 0.000 0.278 84 L C -1.693 175.187 176.870 0.016 0.000 0.996 84 L CA -0.723 54.116 54.840 -0.002 0.000 0.825 84 L CB 1.766 43.816 42.059 -0.015 0.000 1.243 84 L HN 0.200 nan 8.230 nan 0.000 0.412 85 L N 6.950 128.179 121.223 0.009 0.000 2.316 85 L HA 0.515 4.866 4.340 0.017 0.000 0.280 85 L C -1.036 175.842 176.870 0.013 0.000 1.006 85 L CA -0.040 54.824 54.840 0.040 0.000 0.836 85 L CB 1.411 43.507 42.059 0.062 0.000 1.221 85 L HN 0.462 nan 8.230 nan 0.000 0.418 86 I N 5.600 126.184 120.570 0.022 0.000 2.371 86 I HA 0.355 4.536 4.170 0.017 0.000 0.282 86 I C -0.716 175.431 176.117 0.049 0.000 1.031 86 I CA -0.273 61.034 61.300 0.011 0.000 1.180 86 I CB 0.899 38.898 38.000 -0.001 0.000 1.336 86 I HN 0.648 nan 8.210 nan 0.000 0.467 87 N N 6.106 124.842 118.700 0.060 0.000 2.466 87 N HA -0.000 4.750 4.740 0.017 0.000 0.263 87 N C 0.636 176.182 175.510 0.060 0.000 1.178 87 N CA 0.226 53.311 53.050 0.057 0.000 0.983 87 N CB 0.352 38.882 38.487 0.073 0.000 1.331 87 N HN 0.644 nan 8.380 nan 0.000 0.500 88 N N 1.673 120.401 118.700 0.047 0.000 2.482 88 N HA 0.035 4.785 4.740 0.017 0.000 0.179 88 N C 0.149 175.680 175.510 0.035 0.000 1.039 88 N CA -0.122 52.960 53.050 0.053 0.000 0.884 88 N CB 0.209 38.730 38.487 0.056 0.000 1.113 88 N HN 0.426 nan 8.380 nan 0.000 0.440 89 A N -0.154 122.672 122.820 0.009 0.000 2.566 89 A HA 0.492 4.823 4.320 0.017 0.000 0.245 89 A C 0.666 178.255 177.584 0.007 0.000 1.056 89 A CA 0.850 52.884 52.037 -0.004 0.000 0.757 89 A CB -0.758 18.217 19.000 -0.041 0.000 0.979 89 A HN 0.529 nan 8.150 nan 0.000 0.508 90 G N -0.570 108.245 108.800 0.024 0.000 2.430 90 G HA2 0.598 4.568 3.960 0.017 0.000 0.300 90 G HA3 0.598 4.568 3.960 0.017 0.000 0.300 90 G C -1.321 173.621 174.900 0.070 0.000 1.330 90 G CA 0.227 45.353 45.100 0.043 0.000 0.813 90 G HN 1.868 nan 8.290 nan 0.000 0.487 91 V N -0.805 119.176 119.914 0.112 0.000 3.216 91 V HA 0.804 4.935 4.120 0.017 0.000 0.302 91 V C -1.588 174.620 176.094 0.190 0.000 1.286 91 V CA -0.859 61.508 62.300 0.112 0.000 1.048 91 V CB 2.126 33.989 31.823 0.066 0.000 1.081 91 V HN 1.090 nan 8.190 nan 0.000 0.442 92 L N 4.746 126.015 121.223 0.077 0.000 2.337 92 L HA 0.589 4.939 4.340 0.017 0.000 0.269 92 L C -1.378 175.502 176.870 0.016 0.000 1.018 92 L CA -0.515 54.304 54.840 -0.036 0.000 0.876 92 L CB 1.088 42.912 42.059 -0.392 0.000 1.236 92 L HN 0.598 nan 8.230 nan 0.000 0.436 93 L N 2.886 124.167 121.223 0.097 0.000 2.350 93 L HA 0.323 4.674 4.340 0.017 0.000 0.275 93 L C 0.648 177.591 176.870 0.121 0.000 1.099 93 L CA 0.442 55.338 54.840 0.093 0.000 0.808 93 L CB 1.501 43.614 42.059 0.090 0.000 1.149 93 L HN 0.511 nan 8.230 nan 0.000 0.442 94 S N 3.543 119.313 115.700 0.116 0.000 2.488 94 S HA 0.395 4.875 4.470 0.017 0.000 0.278 94 S C -1.148 173.591 174.600 0.232 0.000 1.259 94 S CA 0.113 58.392 58.200 0.133 0.000 1.061 94 S CB -0.463 62.789 63.200 0.086 0.000 0.910 94 S HN 0.446 nan 8.310 nan 0.000 0.491 95 Y N 2.632 122.969 120.300 0.063 0.000 2.243 95 Y HA 0.451 5.004 4.550 0.004 0.000 0.315 95 Y C -0.162 175.779 175.900 0.069 0.000 1.286 95 Y CA -0.231 57.904 58.100 0.058 0.000 1.230 95 Y CB 0.340 38.833 38.460 0.056 0.000 1.295 95 Y HN 0.801 nan 8.280 nan 0.000 0.401 96 G N 1.056 109.769 108.800 -0.144 0.000 3.042 96 G HA2 0.412 4.383 3.960 0.017 0.000 0.278 96 G HA3 0.412 4.383 3.960 0.017 0.000 0.278 96 G C 0.620 175.425 174.900 -0.159 0.000 1.371 96 G CA -0.201 44.875 45.100 -0.040 0.000 1.009 96 G HN 0.697 nan 8.290 nan 0.000 0.523 97 T N -1.472 113.057 114.554 -0.042 0.000 2.759 97 T HA -0.140 4.221 4.350 0.017 0.000 0.269 97 T C 1.163 175.806 174.700 -0.097 0.000 1.042 97 T CA 1.300 63.378 62.100 -0.037 0.000 1.140 97 T CB -0.119 68.753 68.868 0.006 0.000 0.864 97 T HN 0.314 nan 8.240 nan 0.000 0.455 98 N N 1.816 120.450 118.700 -0.110 0.000 2.346 98 N HA 0.139 4.890 4.740 0.017 0.000 0.225 98 N C -0.507 174.907 175.510 -0.160 0.000 1.144 98 N CA 0.132 53.117 53.050 -0.108 0.000 0.837 98 N CB 0.372 38.813 38.487 -0.076 0.000 1.069 98 N HN 0.442 nan 8.380 nan 0.000 0.487 99 T N 0.595 114.979 114.554 -0.283 0.000 2.829 99 T HA 0.106 4.466 4.350 0.017 0.000 0.282 99 T C 0.300 174.839 174.700 -0.269 0.000 0.990 99 T CA -0.515 61.377 62.100 -0.347 0.000 1.028 99 T CB 2.067 70.525 68.868 -0.683 0.000 0.951 99 T HN 0.062 nan 8.240 nan 0.000 0.460 100 E N 4.163 124.280 120.200 -0.138 0.000 2.729 100 E HA 0.016 4.376 4.350 0.017 0.000 0.246 100 E C -2.276 174.319 176.600 -0.009 0.000 0.984 100 E CA -1.040 55.329 56.400 -0.052 0.000 0.951 100 E CB -0.004 29.686 29.700 -0.016 0.000 0.914 100 E HN 0.193 nan 8.360 nan 0.000 0.509 101 P HA -0.083 nan 4.420 nan 0.000 0.259 101 P C -0.967 176.450 177.300 0.194 0.000 1.163 101 P CA 0.579 63.768 63.100 0.147 0.000 0.760 101 P CB 0.348 32.105 31.700 0.094 0.000 0.762 102 N N 2.905 121.812 118.700 0.345 0.000 2.558 102 N HA 0.098 4.848 4.740 0.017 0.000 0.285 102 N C 0.668 176.214 175.510 0.061 0.000 1.112 102 N CA -0.476 52.700 53.050 0.210 0.000 0.857 102 N CB 0.963 39.610 38.487 0.266 0.000 1.376 102 N HN 0.180 nan 8.380 nan 0.000 0.526 103 R N 2.685 123.196 120.500 0.018 0.000 2.081 103 R HA -0.052 4.298 4.340 0.017 0.000 0.235 103 R C 1.651 177.910 176.300 -0.069 0.000 1.131 103 R CA 1.948 58.024 56.100 -0.040 0.000 0.960 103 R CB 0.017 30.307 30.300 -0.018 0.000 0.856 103 R HN 0.585 nan 8.270 nan 0.000 0.436 104 A N 0.231 123.030 122.820 -0.034 0.000 1.940 104 A HA -0.119 4.212 4.320 0.017 0.000 0.219 104 A C 2.228 179.778 177.584 -0.057 0.000 1.176 104 A CA 1.673 53.689 52.037 -0.035 0.000 0.631 104 A CB -0.480 18.515 19.000 -0.009 0.000 0.814 104 A HN 0.233 nan 8.150 nan 0.000 0.446 105 V N 0.167 120.041 119.914 -0.068 0.000 2.307 105 V HA -0.244 3.887 4.120 0.017 0.000 0.245 105 V C 2.419 178.385 176.094 -0.215 0.000 1.045 105 V CA 1.917 64.163 62.300 -0.091 0.000 1.024 105 V CB -0.716 31.107 31.823 -0.001 0.000 0.651 105 V HN 0.572 nan 8.190 nan 0.000 0.449 106 I N 0.781 121.109 120.570 -0.404 0.000 2.163 106 I HA -0.280 3.900 4.170 0.017 0.000 0.243 106 I C 2.682 178.684 176.117 -0.192 0.000 1.085 106 I CA 1.678 62.739 61.300 -0.398 0.000 1.347 106 I CB -0.641 37.099 38.000 -0.435 0.000 1.044 106 I HN 0.299 nan 8.210 nan 0.000 0.408 107 A N -0.089 122.645 122.820 -0.143 0.000 1.972 107 A HA -0.252 4.079 4.320 0.017 0.000 0.219 107 A C 2.329 179.869 177.584 -0.074 0.000 1.169 107 A CA 1.803 53.784 52.037 -0.093 0.000 0.635 107 A CB -0.562 18.396 19.000 -0.071 0.000 0.810 107 A HN 0.497 nan 8.150 nan 0.000 0.446 108 E N -1.044 119.116 120.200 -0.067 0.000 2.107 108 E HA -0.216 4.144 4.350 0.017 0.000 0.191 108 E C 2.185 178.764 176.600 -0.035 0.000 0.982 108 E CA 1.126 57.501 56.400 -0.042 0.000 0.809 108 E CB -0.050 29.635 29.700 -0.026 0.000 0.756 108 E HN 0.602 nan 8.360 nan 0.000 0.459 109 Q N 0.752 120.528 119.800 -0.040 0.000 2.084 109 Q HA -0.127 4.223 4.340 0.017 0.000 0.202 109 Q C 2.031 178.009 176.000 -0.036 0.000 0.978 109 Q CA 1.469 57.265 55.803 -0.012 0.000 0.844 109 Q CB -0.191 28.543 28.738 -0.007 0.000 0.898 109 Q HN 0.331 nan 8.270 nan 0.000 0.426 110 L N -0.164 121.020 121.223 -0.064 0.000 2.095 110 L HA -0.084 4.266 4.340 0.017 0.000 0.204 110 L C 2.124 178.947 176.870 -0.079 0.000 1.080 110 L CA 1.234 56.027 54.840 -0.079 0.000 0.759 110 L CB -0.483 41.526 42.059 -0.085 0.000 0.914 110 L HN 0.255 nan 8.230 nan 0.000 0.439 111 D N -0.048 120.311 120.400 -0.068 0.000 2.104 111 D HA -0.163 4.488 4.640 0.017 0.000 0.194 111 D C 2.082 178.344 176.300 -0.063 0.000 0.994 111 D CA 1.290 55.251 54.000 -0.066 0.000 0.830 111 D CB 0.150 40.918 40.800 -0.053 0.000 0.959 111 D HN 0.007 nan 8.370 nan 0.000 0.452 112 V N 0.409 120.295 119.914 -0.047 0.000 2.255 112 V HA -0.152 3.979 4.120 0.017 0.000 0.243 112 V C 1.974 178.041 176.094 -0.046 0.000 1.038 112 V CA 1.819 64.096 62.300 -0.038 0.000 1.008 112 V CB -0.666 31.150 31.823 -0.012 0.000 0.645 112 V HN 0.183 nan 8.190 nan 0.000 0.449 113 N N -0.566 118.107 118.700 -0.046 0.000 2.457 113 N HA -0.046 4.705 4.740 0.017 0.000 0.180 113 N C 1.488 176.938 175.510 -0.100 0.000 1.050 113 N CA 1.280 54.291 53.050 -0.065 0.000 0.906 113 N CB 0.069 38.505 38.487 -0.085 0.000 0.968 113 N HN 0.531 nan 8.380 nan 0.000 0.445 114 T N -1.711 112.775 114.554 -0.113 0.000 3.518 114 T HA -0.019 4.341 4.350 0.017 0.000 0.211 114 T C 1.824 176.410 174.700 -0.190 0.000 0.940 114 T CA 0.866 62.876 62.100 -0.149 0.000 1.307 114 T CB -0.908 67.876 68.868 -0.141 0.000 1.392 114 T HN 0.135 nan 8.240 nan 0.000 0.382 115 T N 1.919 116.373 114.554 -0.166 0.000 2.699 115 T HA -0.165 4.195 4.350 0.017 0.000 0.268 115 T C 2.079 176.679 174.700 -0.167 0.000 1.036 115 T CA 2.370 64.364 62.100 -0.177 0.000 1.147 115 T CB -0.768 68.024 68.868 -0.127 0.000 0.862 115 T HN 0.215 nan 8.240 nan 0.000 0.446 116 S N 0.179 115.804 115.700 -0.125 0.000 2.382 116 S HA -0.038 4.443 4.470 0.017 0.000 0.228 116 S C 2.119 176.650 174.600 -0.114 0.000 1.027 116 S CA 1.218 59.356 58.200 -0.103 0.000 0.991 116 S CB -0.479 62.673 63.200 -0.079 0.000 0.823 116 S HN 0.438 nan 8.310 nan 0.000 0.469 117 V N 1.328 121.164 119.914 -0.130 0.000 2.358 117 V HA -0.117 4.014 4.120 0.017 0.000 0.246 117 V C 2.264 178.249 176.094 -0.181 0.000 1.047 117 V CA 1.320 63.554 62.300 -0.110 0.000 1.035 117 V CB -0.598 31.178 31.823 -0.079 0.000 0.658 117 V HN 0.334 nan 8.190 nan 0.000 0.452 118 V N -0.649 119.025 119.914 -0.401 0.000 2.358 118 V HA -0.194 3.936 4.120 0.017 0.000 0.246 118 V C 2.363 178.289 176.094 -0.278 0.000 1.047 118 V CA 1.401 63.291 62.300 -0.683 0.000 1.035 118 V CB -0.483 30.822 31.823 -0.864 0.000 0.658 118 V HN 0.368 nan 8.190 nan 0.000 0.452 119 L N -0.713 120.400 121.223 -0.184 0.000 2.046 119 L HA -0.141 4.210 4.340 0.017 0.000 0.208 119 L C 2.245 179.098 176.870 -0.029 0.000 1.077 119 L CA 1.756 56.542 54.840 -0.089 0.000 0.747 119 L CB -1.207 40.806 42.059 -0.076 0.000 0.896 119 L HN 0.308 nan 8.230 nan 0.000 0.432 120 L N -1.086 120.124 121.223 -0.022 0.000 2.056 120 L HA -0.170 4.181 4.340 0.017 0.000 0.207 120 L C 2.359 179.276 176.870 0.078 0.000 1.078 120 L CA 2.040 56.901 54.840 0.035 0.000 0.749 120 L CB -1.063 41.004 42.059 0.015 0.000 0.901 120 L HN 0.274 nan 8.230 nan 0.000 0.433 121 T N -0.735 113.873 114.554 0.089 0.000 2.708 121 T HA -0.229 4.132 4.350 0.017 0.000 0.266 121 T C 1.828 176.611 174.700 0.138 0.000 1.037 121 T CA 1.746 63.941 62.100 0.158 0.000 1.146 121 T CB -0.221 68.842 68.868 0.325 0.000 0.865 121 T HN 0.459 nan 8.240 nan 0.000 0.435 122 Q N 0.724 120.593 119.800 0.114 0.000 2.061 122 Q HA -0.119 4.232 4.340 0.017 0.000 0.204 122 Q C 2.406 178.443 176.000 0.060 0.000 0.984 122 Q CA 1.370 57.225 55.803 0.087 0.000 0.846 122 Q CB -0.166 28.602 28.738 0.049 0.000 0.902 122 Q HN 0.504 nan 8.270 nan 0.000 0.421 123 K N 0.311 120.743 120.400 0.054 0.000 2.148 123 K HA -0.077 4.253 4.320 0.017 0.000 0.204 123 K C 1.629 178.258 176.600 0.049 0.000 1.050 123 K CA 0.782 57.098 56.287 0.048 0.000 0.942 123 K CB 0.043 32.578 32.500 0.057 0.000 0.724 123 K HN 0.173 nan 8.250 nan 0.000 0.446 124 L N 1.172 122.436 121.223 0.068 0.000 2.612 124 L HA 0.055 4.406 4.340 0.017 0.000 0.230 124 L C 1.570 178.466 176.870 0.044 0.000 1.140 124 L CA -0.106 54.769 54.840 0.058 0.000 0.896 124 L CB -0.065 42.048 42.059 0.090 0.000 1.065 124 L HN 0.147 nan 8.230 nan 0.000 0.447 125 L N 0.099 121.350 121.223 0.045 0.000 2.027 125 L HA -0.105 4.245 4.340 0.017 0.000 0.206 125 L C -0.154 176.729 176.870 0.020 0.000 1.074 125 L CA 1.319 56.181 54.840 0.037 0.000 0.745 125 L CB -1.460 40.624 42.059 0.042 0.000 0.898 125 L HN 0.215 nan 8.230 nan 0.000 0.433 126 P HA -0.217 nan 4.420 nan 0.000 0.214 126 P C 1.894 179.194 177.300 0.000 0.000 1.163 126 P CA 1.527 64.630 63.100 0.005 0.000 0.889 126 P CB 0.025 31.724 31.700 -0.000 0.000 0.790 127 L N -1.988 119.232 121.223 -0.004 0.000 2.131 127 L HA -0.173 4.177 4.340 0.017 0.000 0.210 127 L C 2.400 179.270 176.870 0.000 0.000 1.092 127 L CA 1.196 56.030 54.840 -0.010 0.000 0.759 127 L CB -0.752 41.294 42.059 -0.022 0.000 0.903 127 L HN 0.014 nan 8.230 nan 0.000 0.435 128 L N -0.649 120.579 121.223 0.009 0.000 2.095 128 L HA -0.134 4.216 4.340 0.017 0.000 0.204 128 L C 2.550 179.425 176.870 0.008 0.000 1.080 128 L CA 1.065 55.912 54.840 0.012 0.000 0.759 128 L CB -0.307 41.763 42.059 0.018 0.000 0.914 128 L HN 0.128 nan 8.230 nan 0.000 0.439 129 K N -0.056 120.348 120.400 0.008 0.000 2.152 129 K HA -0.212 4.118 4.320 0.017 0.000 0.206 129 K C 1.791 178.394 176.600 0.004 0.000 1.048 129 K CA 1.632 57.922 56.287 0.006 0.000 0.933 129 K CB -0.332 32.171 32.500 0.005 0.000 0.721 129 K HN 0.361 nan 8.250 nan 0.000 0.447 130 N N 0.432 119.134 118.700 0.003 0.000 2.106 130 N HA -0.142 4.608 4.740 0.017 0.000 0.188 130 N C 1.871 177.384 175.510 0.005 0.000 1.029 130 N CA 0.839 53.890 53.050 0.002 0.000 0.848 130 N CB 0.002 38.488 38.487 -0.002 0.000 1.007 130 N HN 0.172 nan 8.380 nan 0.000 0.423 131 A N 0.932 123.756 122.820 0.007 0.000 1.902 131 A HA -0.052 4.279 4.320 0.017 0.000 0.217 131 A C 2.306 179.896 177.584 0.010 0.000 1.181 131 A CA 1.734 53.778 52.037 0.011 0.000 0.623 131 A CB -0.925 18.083 19.000 0.014 0.000 0.818 131 A HN 0.485 nan 8.150 nan 0.000 0.443 132 A N 0.376 123.202 122.820 0.009 0.000 1.902 132 A HA -0.111 4.220 4.320 0.017 0.000 0.217 132 A C 2.530 180.119 177.584 0.008 0.000 1.181 132 A CA 2.427 54.469 52.037 0.008 0.000 0.623 132 A CB -1.027 17.977 19.000 0.007 0.000 0.818 132 A HN 1.038 nan 8.150 nan 0.000 0.443 133 S N 0.044 115.748 115.700 0.006 0.000 2.399 133 S HA -0.109 4.372 4.470 0.017 0.000 0.231 133 S C 1.190 175.794 174.600 0.006 0.000 1.022 133 S CA 1.173 59.376 58.200 0.006 0.000 0.983 133 S CB -0.474 62.728 63.200 0.004 0.000 0.803 133 S HN 0.512 nan 8.310 nan 0.000 0.480 134 K N 2.689 123.094 120.400 0.007 0.000 3.256 134 K HA 0.071 4.402 4.320 0.017 0.000 0.285 134 K C -0.305 176.300 176.600 0.008 0.000 1.086 134 K CA 0.377 56.668 56.287 0.008 0.000 1.125 134 K CB -0.803 31.703 32.500 0.009 0.000 1.292 134 K HN 0.815 nan 8.250 nan 0.000 0.312 135 E N -1.537 118.667 120.200 0.008 0.000 4.242 135 E HA -0.016 4.345 4.350 0.017 0.000 0.393 135 E C -1.227 175.377 176.600 0.008 0.000 1.061 135 E CA -0.329 56.076 56.400 0.008 0.000 0.783 135 E CB -0.244 29.462 29.700 0.009 0.000 1.241 135 E HN 0.030 nan 8.360 nan 0.000 0.546 136 S N 2.609 118.313 115.700 0.007 0.000 2.589 136 S HA 0.741 5.222 4.470 0.017 0.000 0.265 136 S C 0.748 175.352 174.600 0.007 0.000 1.342 136 S CA 1.272 59.475 58.200 0.006 0.000 1.005 136 S CB 0.652 63.855 63.200 0.005 0.000 0.909 136 S HN 1.686 nan 8.310 nan 0.000 0.555 137 G N 1.545 110.349 108.800 0.007 0.000 2.462 137 G HA2 0.077 4.047 3.960 0.017 0.000 0.685 137 G HA3 0.077 4.047 3.960 0.017 0.000 0.685 137 G C -1.275 173.631 174.900 0.009 0.000 1.295 137 G CA -0.134 44.971 45.100 0.008 0.000 0.941 137 G HN 0.918 nan 8.290 nan 0.000 0.554 138 D N -0.379 120.027 120.400 0.010 0.000 2.443 138 D HA 0.548 5.199 4.640 0.017 0.000 0.281 138 D C -0.221 176.087 176.300 0.015 0.000 1.210 138 D CA -0.163 53.844 54.000 0.011 0.000 0.875 138 D CB 0.749 41.555 40.800 0.009 0.000 1.125 138 D HN 0.569 nan 8.370 nan 0.000 0.503 139 Q N 2.258 122.068 119.800 0.017 0.000 2.268 139 Q HA 0.433 4.784 4.340 0.017 0.000 0.266 139 Q C -2.015 174.001 176.000 0.027 0.000 1.006 139 Q CA -0.634 55.182 55.803 0.023 0.000 0.824 139 Q CB 1.347 30.098 28.738 0.021 0.000 1.306 139 Q HN 0.321 nan 8.270 nan 0.000 0.424 140 L N 2.483 123.728 121.223 0.036 0.000 2.312 140 L HA 0.844 5.195 4.340 0.017 0.000 0.281 140 L C -0.347 176.551 176.870 0.047 0.000 1.070 140 L CA 0.340 55.205 54.840 0.041 0.000 0.805 140 L CB 1.428 43.517 42.059 0.051 0.000 1.174 140 L HN 0.834 nan 8.230 nan 0.000 0.434 141 S N 0.431 116.153 115.700 0.036 0.000 2.567 141 S HA 0.372 4.853 4.470 0.017 0.000 0.270 141 S C 0.438 175.048 174.600 0.016 0.000 1.152 141 S CA -0.256 57.963 58.200 0.032 0.000 0.835 141 S CB 1.025 64.242 63.200 0.029 0.000 1.115 141 S HN 0.447 nan 8.310 nan 0.000 0.459 142 V N -0.089 119.830 119.914 0.007 0.000 3.141 142 V HA 0.049 4.179 4.120 0.017 0.000 0.265 142 V C 2.021 178.114 176.094 -0.002 0.000 1.126 142 V CA 1.695 63.985 62.300 -0.017 0.000 1.141 142 V CB -1.293 30.499 31.823 -0.051 0.000 0.743 142 V HN 1.096 nan 8.190 nan 0.000 0.492 143 S N -0.118 115.589 115.700 0.012 0.000 2.496 143 S HA 0.010 4.491 4.470 0.017 0.000 0.224 143 S C 1.983 176.591 174.600 0.014 0.000 0.996 143 S CA 0.807 59.016 58.200 0.015 0.000 0.927 143 S CB -0.202 63.009 63.200 0.018 0.000 0.774 143 S HN 0.687 nan 8.310 nan 0.000 0.524 144 R N 1.695 122.203 120.500 0.013 0.000 2.039 144 R HA 0.504 4.854 4.340 0.017 0.000 0.218 144 R C -0.116 176.191 176.300 0.011 0.000 1.220 144 R CA 1.056 57.164 56.100 0.013 0.000 0.993 144 R CB 0.141 30.450 30.300 0.014 0.000 0.881 144 R HN 0.394 nan 8.270 nan 0.000 0.450 145 A N 0.109 122.934 122.820 0.008 0.000 2.511 145 A HA 0.661 4.992 4.320 0.017 0.000 0.292 145 A C -1.653 175.931 177.584 -0.001 0.000 1.045 145 A CA -0.280 51.760 52.037 0.005 0.000 0.870 145 A CB 1.417 20.421 19.000 0.007 0.000 1.361 145 A HN 0.451 nan 8.150 nan 0.000 0.396 146 A N 1.184 123.997 122.820 -0.011 0.000 2.515 146 A HA 0.814 5.145 4.320 0.017 0.000 0.298 146 A C -1.357 176.211 177.584 -0.026 0.000 1.059 146 A CA -0.556 51.467 52.037 -0.023 0.000 0.698 146 A CB 1.724 20.694 19.000 -0.050 0.000 1.289 146 A HN 1.563 nan 8.150 nan 0.000 0.404 147 V N 2.853 122.755 119.914 -0.019 0.000 2.349 147 V HA 0.406 4.537 4.120 0.017 0.000 0.284 147 V C -0.630 175.464 176.094 -0.000 0.000 1.014 147 V CA -0.024 62.273 62.300 -0.004 0.000 0.826 147 V CB 0.902 32.726 31.823 0.002 0.000 1.009 147 V HN 0.698 nan 8.190 nan 0.000 0.431 148 I N 3.994 124.553 120.570 -0.017 0.000 2.378 148 I HA 0.480 4.660 4.170 0.017 0.000 0.291 148 I C 0.090 176.257 176.117 0.083 0.000 0.992 148 I CA -0.080 61.231 61.300 0.017 0.000 1.154 148 I CB 2.213 40.102 38.000 -0.185 0.000 1.315 148 I HN 0.474 nan 8.210 nan 0.000 0.448 149 T N 6.475 121.125 114.554 0.159 0.000 2.797 149 T HA 0.466 4.826 4.350 0.017 0.000 0.279 149 T C -0.000 174.830 174.700 0.217 0.000 0.991 149 T CA -0.457 61.736 62.100 0.153 0.000 0.979 149 T CB 1.311 70.255 68.868 0.127 0.000 0.943 149 T HN 0.170 nan 8.240 nan 0.000 0.444 150 I N 3.286 123.964 120.570 0.180 0.000 2.347 150 I HA 0.235 4.416 4.170 0.017 0.000 0.294 150 I C 0.973 177.181 176.117 0.152 0.000 1.090 150 I CA 0.279 61.705 61.300 0.210 0.000 1.314 150 I CB 0.230 38.323 38.000 0.155 0.000 1.423 150 I HN 0.595 nan 8.210 nan 0.000 0.503 151 S N 4.581 120.400 115.700 0.199 0.000 2.626 151 S HA 0.626 5.106 4.470 0.017 0.000 0.243 151 S C -0.000 174.669 174.600 0.115 0.000 1.116 151 S CA -0.279 57.956 58.200 0.058 0.000 1.089 151 S CB 1.292 64.398 63.200 -0.157 0.000 1.180 151 S HN 0.679 nan 8.310 nan 0.000 0.523 152 S N -1.719 114.045 115.700 0.107 0.000 2.543 152 S HA 0.499 4.979 4.470 0.017 0.000 0.274 152 S C 0.551 175.225 174.600 0.123 0.000 1.149 152 S CA 0.039 58.297 58.200 0.096 0.000 0.866 152 S CB 0.802 64.020 63.200 0.031 0.000 1.111 152 S HN 0.872 nan 8.310 nan 0.000 0.457 153 G N 2.138 110.910 108.800 -0.047 0.000 2.470 153 G HA2 -0.027 3.943 3.960 0.017 0.000 0.220 153 G HA3 -0.027 3.943 3.960 0.017 0.000 0.220 153 G C 1.039 175.870 174.900 -0.115 0.000 1.121 153 G CA 0.572 45.488 45.100 -0.307 0.000 0.766 153 G HN 0.695 nan 8.290 nan 0.000 0.553 154 L N 0.746 121.968 121.223 -0.002 0.000 2.465 154 L HA 0.090 4.440 4.340 0.017 0.000 0.224 154 L C 2.811 179.689 176.870 0.013 0.000 1.145 154 L CA 0.464 55.348 54.840 0.073 0.000 0.834 154 L CB -0.134 42.045 42.059 0.201 0.000 0.944 154 L HN 0.309 nan 8.230 nan 0.000 0.451 155 G N -1.175 107.589 108.800 -0.060 0.000 2.623 155 G HA2 -0.150 3.820 3.960 0.017 0.000 0.214 155 G HA3 -0.150 3.820 3.960 0.017 0.000 0.214 155 G C 0.859 175.722 174.900 -0.061 0.000 1.138 155 G CA 0.011 45.031 45.100 -0.132 0.000 0.794 155 G HN 0.250 nan 8.290 nan 0.000 0.535 156 S N 0.303 116.009 115.700 0.009 0.000 2.465 156 S HA 0.219 4.699 4.470 0.017 0.000 0.280 156 S C 1.632 176.273 174.600 0.069 0.000 1.232 156 S CA -0.630 57.617 58.200 0.078 0.000 1.066 156 S CB 0.164 63.388 63.200 0.040 0.000 0.929 156 S HN 0.220 nan 8.310 nan 0.000 0.494 157 I N 4.293 124.911 120.570 0.081 0.000 2.202 157 I HA -0.109 4.071 4.170 0.017 0.000 0.242 157 I C 2.836 178.998 176.117 0.075 0.000 1.091 157 I CA 1.474 62.814 61.300 0.066 0.000 1.368 157 I CB -0.639 37.395 38.000 0.056 0.000 1.058 157 I HN 0.744 nan 8.210 nan 0.000 0.410 158 T N -0.902 113.707 114.554 0.091 0.000 2.915 158 T HA -0.163 4.197 4.350 0.017 0.000 0.269 158 T C 1.304 176.052 174.700 0.081 0.000 1.071 158 T CA 1.577 63.726 62.100 0.081 0.000 1.132 158 T CB -0.278 68.640 68.868 0.083 0.000 0.878 158 T HN 0.178 nan 8.240 nan 0.000 0.479 159 D N 1.135 121.592 120.400 0.094 0.000 2.340 159 D HA 0.107 4.758 4.640 0.017 0.000 0.220 159 D C 0.628 176.984 176.300 0.094 0.000 1.039 159 D CA 0.049 54.110 54.000 0.100 0.000 0.866 159 D CB -0.532 40.348 40.800 0.134 0.000 0.913 159 D HN 0.608 nan 8.370 nan 0.000 0.523 160 N N 0.777 119.528 118.700 0.085 0.000 2.434 160 N HA -0.023 4.728 4.740 0.017 0.000 0.273 160 N C 0.815 176.376 175.510 0.083 0.000 1.210 160 N CA 0.083 53.185 53.050 0.087 0.000 0.992 160 N CB 0.332 38.866 38.487 0.079 0.000 1.355 160 N HN -0.014 nan 8.380 nan 0.000 0.495 161 T N -1.778 112.831 114.554 0.090 0.000 3.001 161 T HA -0.003 4.357 4.350 0.017 0.000 0.251 161 T C 1.614 176.369 174.700 0.092 0.000 1.040 161 T CA 0.308 62.457 62.100 0.082 0.000 0.985 161 T CB 0.117 69.031 68.868 0.077 0.000 1.011 161 T HN 0.381 nan 8.240 nan 0.000 0.509 162 S N 0.558 116.327 115.700 0.114 0.000 2.503 162 S HA 0.533 5.013 4.470 0.017 0.000 0.215 162 S C 1.612 176.298 174.600 0.144 0.000 1.003 162 S CA 0.235 58.519 58.200 0.141 0.000 0.910 162 S CB -0.506 62.804 63.200 0.185 0.000 0.790 162 S HN 1.100 nan 8.310 nan 0.000 0.514 163 G N 1.980 110.858 108.800 0.129 0.000 2.564 163 G HA2 -0.287 3.684 3.960 0.017 0.000 0.273 163 G HA3 -0.287 3.684 3.960 0.017 0.000 0.273 163 G C 0.413 175.404 174.900 0.150 0.000 1.242 163 G CA 0.784 45.956 45.100 0.119 0.000 0.951 163 G HN 1.577 nan 8.290 nan 0.000 0.564 164 S N -1.135 114.639 115.700 0.123 0.000 2.937 164 S HA 0.684 5.164 4.470 0.017 0.000 0.252 164 S C 1.652 176.296 174.600 0.073 0.000 1.022 164 S CA 0.918 59.197 58.200 0.132 0.000 1.079 164 S CB 0.726 64.002 63.200 0.126 0.000 1.035 164 S HN 2.051 nan 8.310 nan 0.000 0.594 165 A N 2.037 124.883 122.820 0.043 0.000 1.835 165 A HA 0.079 4.409 4.320 0.017 0.000 0.213 165 A C 2.196 179.732 177.584 -0.080 0.000 1.210 165 A CA 1.378 53.406 52.037 -0.016 0.000 0.605 165 A CB -0.906 18.084 19.000 -0.017 0.000 0.860 165 A HN 0.471 nan 8.150 nan 0.000 0.447 166 Q N -1.379 118.346 119.800 -0.124 0.000 2.119 166 Q HA 0.032 4.382 4.340 0.017 0.000 0.201 166 Q C -0.793 174.819 176.000 -0.647 0.000 0.972 166 Q CA 1.070 56.637 55.803 -0.393 0.000 0.847 166 Q CB -0.117 28.351 28.738 -0.451 0.000 0.903 166 Q HN 0.543 nan 8.270 nan 0.000 0.433 167 F N 0.643 120.599 119.950 0.010 0.000 2.499 167 F HA 0.333 4.870 4.527 0.017 0.000 0.333 167 F C -2.029 173.794 175.800 0.038 0.000 1.138 167 F CA -2.799 55.211 58.000 0.017 0.000 0.945 167 F CB 1.851 40.868 39.000 0.028 0.000 1.181 167 F HN -0.083 nan 8.300 nan 0.000 0.435 168 P HA -0.019 nan 4.420 nan 0.000 0.235 168 P C 0.382 177.788 177.300 0.176 0.000 1.720 168 P CA 0.483 63.653 63.100 0.117 0.000 1.003 168 P CB -0.022 31.714 31.700 0.060 0.000 1.968 169 V N -0.977 119.066 119.914 0.216 0.000 3.085 169 V HA 0.115 4.245 4.120 0.017 0.000 0.345 169 V C 1.538 177.796 176.094 0.272 0.000 1.397 169 V CA -0.249 62.204 62.300 0.255 0.000 1.165 169 V CB -0.218 31.770 31.823 0.276 0.000 1.153 169 V HN 0.052 nan 8.190 nan 0.000 0.495 170 L N 2.385 123.752 121.223 0.240 0.000 1.970 170 L HA 0.065 4.416 4.340 0.017 0.000 0.212 170 L C 2.639 179.623 176.870 0.190 0.000 1.071 170 L CA 2.905 57.872 54.840 0.211 0.000 0.751 170 L CB -1.106 41.088 42.059 0.225 0.000 0.889 170 L HN 0.341 nan 8.230 nan 0.000 0.432 171 A N -1.428 121.522 122.820 0.217 0.000 1.883 171 A HA -0.318 4.013 4.320 0.017 0.000 0.217 171 A C 2.349 179.994 177.584 0.102 0.000 1.186 171 A CA 2.059 54.152 52.037 0.094 0.000 0.624 171 A CB -1.404 17.600 19.000 0.007 0.000 0.822 171 A HN 0.683 nan 8.150 nan 0.000 0.444 172 Y N 0.535 120.866 120.300 0.050 0.000 2.097 172 Y HA -0.256 4.303 4.550 0.014 0.000 0.282 172 Y C 2.558 178.469 175.900 0.018 0.000 1.152 172 Y CA 2.250 60.370 58.100 0.034 0.000 1.136 172 Y CB -0.375 38.124 38.460 0.064 0.000 0.975 172 Y HN 0.263 nan 8.280 nan 0.000 0.498 173 R N -0.555 119.998 120.500 0.088 0.000 2.103 173 R HA -0.228 4.122 4.340 0.017 0.000 0.242 173 R C 2.335 178.581 176.300 -0.090 0.000 1.142 173 R CA 2.142 58.235 56.100 -0.013 0.000 0.960 173 R CB -0.400 29.951 30.300 0.085 0.000 0.858 173 R HN 0.451 nan 8.270 nan 0.000 0.439 174 M N 0.073 119.644 119.600 -0.048 0.000 2.132 174 M HA -0.131 4.359 4.480 0.017 0.000 0.263 174 M C 2.515 178.743 176.300 -0.119 0.000 1.065 174 M CA 1.847 57.107 55.300 -0.066 0.000 1.122 174 M CB -0.382 32.197 32.600 -0.034 0.000 1.365 174 M HN 0.199 nan 8.290 nan 0.000 0.411 175 S N 0.194 115.806 115.700 -0.147 0.000 2.419 175 S HA -0.094 4.386 4.470 0.017 0.000 0.233 175 S C 1.835 176.297 174.600 -0.231 0.000 1.016 175 S CA 0.858 58.953 58.200 -0.175 0.000 0.974 175 S CB -0.239 62.860 63.200 -0.169 0.000 0.786 175 S HN 0.333 nan 8.310 nan 0.000 0.492 176 K N 1.213 121.425 120.400 -0.314 0.000 2.262 176 K HA 0.381 4.712 4.320 0.017 0.000 0.200 176 K C 2.395 178.827 176.600 -0.279 0.000 1.049 176 K CA 0.906 56.992 56.287 -0.334 0.000 0.979 176 K CB -0.729 31.506 32.500 -0.442 0.000 0.773 176 K HN 0.467 nan 8.250 nan 0.000 0.474 177 A N 1.733 124.425 122.820 -0.213 0.000 1.873 177 A HA -0.045 4.286 4.320 0.017 0.000 0.215 177 A C 2.410 179.893 177.584 -0.168 0.000 1.186 177 A CA 1.913 53.846 52.037 -0.174 0.000 0.616 177 A CB -0.580 18.354 19.000 -0.109 0.000 0.823 177 A HN 0.242 nan 8.150 nan 0.000 0.442 178 A N -0.269 122.466 122.820 -0.141 0.000 1.865 178 A HA -0.130 4.200 4.320 0.017 0.000 0.217 178 A C 2.035 179.562 177.584 -0.094 0.000 1.191 178 A CA 1.832 53.802 52.037 -0.112 0.000 0.623 178 A CB -0.659 18.278 19.000 -0.105 0.000 0.826 178 A HN 0.496 nan 8.150 nan 0.000 0.444 179 I N 0.614 121.117 120.570 -0.113 0.000 2.567 179 I HA -0.182 3.998 4.170 0.017 0.000 0.257 179 I C 1.528 177.604 176.117 -0.070 0.000 1.184 179 I CA 1.181 62.452 61.300 -0.050 0.000 1.451 179 I CB -0.598 37.351 38.000 -0.085 0.000 1.089 179 I HN 0.249 nan 8.210 nan 0.000 0.441 180 N N -0.517 118.062 118.700 -0.203 0.000 2.354 180 N HA -0.124 4.626 4.740 0.017 0.000 0.179 180 N C 1.713 177.071 175.510 -0.254 0.000 1.021 180 N CA 0.930 53.814 53.050 -0.277 0.000 0.887 180 N CB -0.287 37.959 38.487 -0.402 0.000 0.974 180 N HN 0.313 nan 8.380 nan 0.000 0.437 181 M N -0.180 119.296 119.600 -0.207 0.000 2.200 181 M HA 0.033 4.523 4.480 0.017 0.000 0.265 181 M C 1.659 177.908 176.300 -0.085 0.000 1.066 181 M CA 0.977 56.154 55.300 -0.205 0.000 1.127 181 M CB -0.594 31.918 32.600 -0.148 0.000 1.379 181 M HN 0.047 nan 8.290 nan 0.000 0.420 182 F N 0.566 120.422 119.950 -0.157 0.000 2.075 182 F HA 0.060 4.598 4.527 0.018 0.000 0.297 182 F C 2.063 177.808 175.800 -0.093 0.000 1.113 182 F CA 1.985 59.919 58.000 -0.110 0.000 1.218 182 F CB -1.268 37.677 39.000 -0.092 0.000 0.984 182 F HN 0.215 nan 8.300 nan 0.000 0.472 183 G N -0.027 108.623 108.800 -0.250 0.000 2.469 183 G HA2 -0.391 3.580 3.960 0.017 0.000 0.219 183 G HA3 -0.391 3.580 3.960 0.017 0.000 0.219 183 G C 1.764 176.512 174.900 -0.254 0.000 1.150 183 G CA 1.135 46.043 45.100 -0.320 0.000 0.763 183 G HN 0.359 nan 8.290 nan 0.000 0.561 184 R N 0.262 120.638 120.500 -0.207 0.000 2.096 184 R HA -0.016 4.335 4.340 0.017 0.000 0.235 184 R C 2.618 178.820 176.300 -0.163 0.000 1.127 184 R CA 2.141 58.134 56.100 -0.177 0.000 0.968 184 R CB -0.952 29.162 30.300 -0.310 0.000 0.861 184 R HN 0.331 nan 8.270 nan 0.000 0.440 185 T N 0.876 115.318 114.554 -0.186 0.000 2.896 185 T HA -0.035 4.325 4.350 0.017 0.000 0.263 185 T C 1.519 176.112 174.700 -0.178 0.000 1.050 185 T CA 0.949 62.966 62.100 -0.139 0.000 1.140 185 T CB -0.235 68.590 68.868 -0.072 0.000 0.877 185 T HN 0.127 nan 8.240 nan 0.000 0.457 186 L N 1.870 122.884 121.223 -0.349 0.000 2.017 186 L HA 0.079 4.429 4.340 0.017 0.000 0.208 186 L C 2.648 179.397 176.870 -0.203 0.000 1.073 186 L CA 1.905 56.520 54.840 -0.375 0.000 0.745 186 L CB -1.099 40.517 42.059 -0.738 0.000 0.894 186 L HN 0.224 nan 8.230 nan 0.000 0.432 187 A N -1.134 121.582 122.820 -0.173 0.000 1.908 187 A HA -0.182 4.149 4.320 0.017 0.000 0.218 187 A C 2.266 179.815 177.584 -0.058 0.000 1.181 187 A CA 2.224 54.210 52.037 -0.086 0.000 0.627 187 A CB -1.172 17.800 19.000 -0.046 0.000 0.818 187 A HN 0.333 nan 8.150 nan 0.000 0.445 188 V N 0.588 120.464 119.914 -0.062 0.000 2.237 188 V HA -0.246 3.885 4.120 0.017 0.000 0.245 188 V C 2.209 178.281 176.094 -0.036 0.000 1.046 188 V CA 2.305 64.581 62.300 -0.040 0.000 1.007 188 V CB -0.905 30.893 31.823 -0.042 0.000 0.638 188 V HN 0.503 nan 8.190 nan 0.000 0.445 189 D N 0.271 120.643 120.400 -0.046 0.000 2.190 189 D HA -0.136 4.515 4.640 0.017 0.000 0.200 189 D C 1.620 177.904 176.300 -0.026 0.000 0.992 189 D CA 1.316 55.297 54.000 -0.032 0.000 0.854 189 D CB -0.185 40.597 40.800 -0.031 0.000 0.936 189 D HN 0.371 nan 8.370 nan 0.000 0.462 190 L N 0.145 121.346 121.223 -0.036 0.000 2.685 190 L HA 0.134 4.485 4.340 0.017 0.000 0.233 190 L C 1.822 178.683 176.870 -0.016 0.000 1.173 190 L CA -0.269 54.557 54.840 -0.024 0.000 0.961 190 L CB 0.160 42.200 42.059 -0.033 0.000 1.217 190 L HN -0.159 nan 8.230 nan 0.000 0.478 191 K N 1.314 121.706 120.400 -0.014 0.000 2.001 191 K HA -0.198 4.132 4.320 0.017 0.000 0.214 191 K C 1.394 177.993 176.600 -0.002 0.000 1.050 191 K CA 1.874 58.157 56.287 -0.007 0.000 0.934 191 K CB -0.060 32.436 32.500 -0.006 0.000 0.718 191 K HN 0.181 nan 8.250 nan 0.000 0.443 192 D N 0.580 120.979 120.400 -0.002 0.000 2.378 192 D HA -0.087 4.563 4.640 0.017 0.000 0.227 192 D C 0.418 176.719 176.300 0.001 0.000 1.012 192 D CA 0.708 54.708 54.000 -0.000 0.000 0.905 192 D CB 0.055 40.855 40.800 -0.000 0.000 0.895 192 D HN 0.370 nan 8.370 nan 0.000 0.532 193 D N 0.061 120.460 120.400 -0.000 0.000 2.379 193 D HA 0.015 4.666 4.640 0.017 0.000 0.208 193 D C 0.257 176.559 176.300 0.002 0.000 1.065 193 D CA -0.049 53.952 54.000 0.001 0.000 0.848 193 D CB 0.254 41.054 40.800 -0.000 0.000 0.949 193 D HN 0.149 nan 8.370 nan 0.000 0.509 194 N N 0.064 118.766 118.700 0.003 0.000 2.732 194 N HA -0.187 4.563 4.740 0.017 0.000 0.250 194 N C 0.090 175.604 175.510 0.007 0.000 1.097 194 N CA 0.449 53.503 53.050 0.007 0.000 0.812 194 N CB -1.058 37.434 38.487 0.008 0.000 1.148 194 N HN 0.142 nan 8.380 nan 0.000 0.572 195 V N 0.557 120.472 119.914 0.002 0.000 2.498 195 V HA 0.508 4.638 4.120 0.017 0.000 0.279 195 V C 0.339 176.433 176.094 0.001 0.000 1.048 195 V CA -0.799 61.502 62.300 0.001 0.000 0.967 195 V CB 1.174 32.996 31.823 -0.002 0.000 0.988 195 V HN 0.194 nan 8.190 nan 0.000 0.473 196 L N 6.974 128.202 121.223 0.009 0.000 2.395 196 L HA 0.703 5.053 4.340 0.017 0.000 0.269 196 L C -0.237 176.639 176.870 0.010 0.000 1.133 196 L CA 0.543 55.395 54.840 0.021 0.000 0.812 196 L CB 1.636 43.715 42.059 0.034 0.000 1.125 196 L HN 0.861 nan 8.230 nan 0.000 0.452 197 V N 5.662 125.589 119.914 0.022 0.000 2.668 197 V HA 0.826 4.956 4.120 0.017 0.000 0.304 197 V C -1.521 174.613 176.094 0.067 0.000 1.071 197 V CA -0.256 62.049 62.300 0.009 0.000 0.894 197 V CB 1.901 33.682 31.823 -0.070 0.000 1.008 197 V HN 0.619 nan 8.190 nan 0.000 0.425 198 V N 5.327 125.306 119.914 0.109 0.000 3.049 198 V HA 0.614 4.744 4.120 0.017 0.000 0.309 198 V C -0.508 175.722 176.094 0.227 0.000 1.148 198 V CA -0.799 61.614 62.300 0.187 0.000 0.990 198 V CB 2.579 34.554 31.823 0.253 0.000 1.039 198 V HN 0.991 nan 8.190 nan 0.000 0.430 199 N N 1.425 120.271 118.700 0.244 0.000 2.269 199 N HA 0.743 5.493 4.740 0.017 0.000 0.304 199 N C -1.745 174.058 175.510 0.489 0.000 1.072 199 N CA -0.390 52.867 53.050 0.344 0.000 0.802 199 N CB 2.458 41.049 38.487 0.174 0.000 1.348 199 N HN 0.425 nan 8.380 nan 0.000 0.484 200 F N 0.274 120.523 119.950 0.500 0.000 2.631 200 F HA 0.548 5.085 4.527 0.017 0.000 0.328 200 F C -0.022 176.066 175.800 0.480 0.000 1.067 200 F CA -0.855 57.435 58.000 0.483 0.000 0.969 200 F CB 1.437 40.661 39.000 0.373 0.000 1.332 200 F HN 0.326 nan 8.300 nan 0.000 0.490 201 C N 4.903 124.554 119.300 0.584 0.000 2.397 201 C HA 0.688 5.158 4.460 0.017 0.000 0.325 201 C C -2.569 172.567 174.990 0.243 0.000 1.201 201 C CA -2.091 57.150 59.018 0.372 0.000 1.377 201 C CB 0.852 28.780 27.740 0.313 0.000 2.038 201 C HN 0.549 nan 8.230 nan 0.000 0.457 202 P HA 0.337 nan 4.420 nan 0.000 0.282 202 P C 0.445 177.745 177.300 0.000 0.000 1.287 202 P CA 0.294 63.429 63.100 0.058 0.000 0.792 202 P CB 0.669 32.390 31.700 0.035 0.000 1.163 203 G N -1.112 107.690 108.800 0.004 0.000 2.447 203 G HA2 0.059 4.029 3.960 0.017 0.000 0.269 203 G HA3 0.059 4.029 3.960 0.017 0.000 0.269 203 G C -0.744 174.129 174.900 -0.045 0.000 1.455 203 G CA -0.542 44.565 45.100 0.013 0.000 1.061 203 G HN 0.495 nan 8.290 nan 0.000 0.545 219 E N 0.668 120.864 120.200 -0.008 0.000 2.427 219 E HA -0.073 4.287 4.350 0.017 0.000 0.196 219 E C 1.554 178.135 176.600 -0.033 0.000 1.028 219 E CA 1.194 57.582 56.400 -0.020 0.000 0.864 219 E CB -0.087 29.603 29.700 -0.017 0.000 0.813 219 E HN 0.733 nan 8.360 nan 0.000 0.514 220 Q N 1.072 120.857 119.800 -0.025 0.000 2.050 220 Q HA -0.152 4.198 4.340 0.017 0.000 0.202 220 Q C 2.351 178.322 176.000 -0.047 0.000 0.980 220 Q CA 1.657 57.441 55.803 -0.031 0.000 0.840 220 Q CB -0.204 28.525 28.738 -0.015 0.000 0.898 220 Q HN 0.280 nan 8.270 nan 0.000 0.424 221 S N 0.508 116.185 115.700 -0.038 0.000 2.356 221 S HA -0.175 4.305 4.470 0.017 0.000 0.223 221 S C 2.202 176.740 174.600 -0.105 0.000 1.032 221 S CA 1.947 60.116 58.200 -0.052 0.000 1.005 221 S CB -0.484 62.703 63.200 -0.022 0.000 0.867 221 S HN 0.636 nan 8.310 nan 0.000 0.449 222 T N -0.052 114.445 114.554 -0.095 0.000 2.821 222 T HA 0.137 4.498 4.350 0.017 0.000 0.267 222 T C 1.951 176.540 174.700 -0.186 0.000 1.046 222 T CA 1.275 63.293 62.100 -0.137 0.000 1.139 222 T CB -0.871 67.951 68.868 -0.077 0.000 0.871 222 T HN 0.454 nan 8.240 nan 0.000 0.454 223 A N 1.544 124.283 122.820 -0.134 0.000 1.933 223 A HA -0.061 4.269 4.320 0.017 0.000 0.218 223 A C 2.309 179.784 177.584 -0.181 0.000 1.175 223 A CA 1.720 53.676 52.037 -0.134 0.000 0.628 223 A CB -0.756 18.192 19.000 -0.086 0.000 0.814 223 A HN 0.647 nan 8.150 nan 0.000 0.444 224 E N -0.427 119.666 120.200 -0.180 0.000 2.107 224 E HA -0.059 4.301 4.350 0.017 0.000 0.191 224 E C 1.920 178.319 176.600 -0.335 0.000 0.982 224 E CA 0.601 56.886 56.400 -0.192 0.000 0.809 224 E CB -0.137 29.488 29.700 -0.125 0.000 0.756 224 E HN 0.632 nan 8.360 nan 0.000 0.459 225 L N 0.792 121.728 121.223 -0.479 0.000 2.046 225 L HA -0.195 4.155 4.340 0.017 0.000 0.208 225 L C 2.314 178.249 176.870 -1.559 0.000 1.077 225 L CA 0.571 54.831 54.840 -0.967 0.000 0.747 225 L CB -0.310 41.223 42.059 -0.877 0.000 0.896 225 L HN 0.271 nan 8.230 nan 0.000 0.432 226 I N -0.633 119.350 120.570 -0.977 0.000 2.286 226 I HA -0.269 3.912 4.170 0.017 0.000 0.248 226 I C 2.803 178.694 176.117 -0.377 0.000 1.115 226 I CA 1.539 62.446 61.300 -0.655 0.000 1.392 226 I CB -1.214 36.631 38.000 -0.259 0.000 1.065 226 I HN 0.286 nan 8.210 nan 0.000 0.418 227 S N 0.574 116.081 115.700 -0.321 0.000 2.368 227 S HA -0.126 4.355 4.470 0.017 0.000 0.224 227 S C 2.245 176.755 174.600 -0.149 0.000 1.029 227 S CA 1.797 59.891 58.200 -0.176 0.000 0.988 227 S CB -0.105 63.010 63.200 -0.142 0.000 0.838 227 S HN 0.419 nan 8.310 nan 0.000 0.462 228 S N 1.136 116.702 115.700 -0.223 0.000 2.399 228 S HA 0.015 4.496 4.470 0.017 0.000 0.231 228 S C 1.447 176.080 174.600 0.055 0.000 1.022 228 S CA 1.052 59.196 58.200 -0.093 0.000 0.983 228 S CB -0.540 62.643 63.200 -0.028 0.000 0.803 228 S HN 0.571 nan 8.310 nan 0.000 0.480 229 F N 2.758 122.625 119.950 -0.138 0.000 2.126 229 F HA -0.044 4.493 4.527 0.017 0.000 0.299 229 F C 2.025 177.782 175.800 -0.072 0.000 1.096 229 F CA 0.409 58.349 58.000 -0.099 0.000 1.255 229 F CB -1.309 37.618 39.000 -0.121 0.000 0.997 229 F HN 0.227 nan 8.300 nan 0.000 0.479 230 N N 0.540 119.312 118.700 0.121 0.000 2.573 230 N HA -0.112 4.638 4.740 0.017 0.000 0.187 230 N C 1.105 176.626 175.510 0.019 0.000 1.107 230 N CA 0.683 53.765 53.050 0.054 0.000 0.918 230 N CB -0.271 38.229 38.487 0.022 0.000 0.966 230 N HN 0.390 nan 8.380 nan 0.000 0.448 231 K N 0.051 120.446 120.400 -0.009 0.000 2.387 231 K HA 0.266 4.596 4.320 0.017 0.000 0.203 231 K C 0.120 176.666 176.600 -0.090 0.000 1.030 231 K CA -0.147 56.120 56.287 -0.033 0.000 1.099 231 K CB 0.802 33.274 32.500 -0.047 0.000 0.863 231 K HN 0.021 nan 8.250 nan 0.000 0.529 232 L N 2.571 123.718 121.223 -0.126 0.000 2.397 232 L HA 0.113 4.463 4.340 0.017 0.000 0.271 232 L C -0.094 176.821 176.870 0.076 0.000 1.148 232 L CA 0.065 54.791 54.840 -0.191 0.000 0.825 232 L CB 0.399 42.398 42.059 -0.101 0.000 1.117 232 L HN 0.256 nan 8.230 nan 0.000 0.456 233 D N -0.367 120.210 120.400 0.295 0.000 2.768 233 D HA 0.161 4.811 4.640 0.017 0.000 0.327 233 D C 0.170 176.587 176.300 0.194 0.000 1.302 233 D CA -0.758 53.361 54.000 0.200 0.000 0.897 233 D CB 0.356 41.243 40.800 0.146 0.000 1.420 233 D HN 0.235 nan 8.370 nan 0.000 0.494 234 N N -0.351 118.411 118.700 0.102 0.000 2.182 234 N HA -0.238 4.512 4.740 0.017 0.000 0.192 234 N C 1.501 177.044 175.510 0.055 0.000 1.007 234 N CA 2.065 55.157 53.050 0.070 0.000 0.873 234 N CB -0.427 38.084 38.487 0.039 0.000 0.998 234 N HN 0.525 nan 8.380 nan 0.000 0.436 235 S N -0.614 115.088 115.700 0.003 0.000 2.555 235 S HA -0.068 4.413 4.470 0.017 0.000 0.230 235 S C 1.105 175.606 174.600 -0.165 0.000 0.978 235 S CA 0.461 58.591 58.200 -0.117 0.000 0.934 235 S CB -0.293 62.767 63.200 -0.234 0.000 0.766 235 S HN 0.453 nan 8.310 nan 0.000 0.533 236 H N -0.072 119.071 119.070 0.121 0.000 2.740 236 H HA 0.300 4.866 4.556 0.017 0.000 0.265 236 H C 0.193 175.678 175.328 0.262 0.000 0.978 236 H CA -0.298 55.904 56.048 0.258 0.000 1.198 236 H CB -0.310 29.502 29.762 0.083 0.000 1.467 236 H HN 0.387 nan 8.280 nan 0.000 0.511 237 N N 1.047 119.894 118.700 0.245 0.000 2.359 237 N HA -0.026 4.724 4.740 0.017 0.000 0.261 237 N C 1.216 176.805 175.510 0.132 0.000 1.267 237 N CA 1.476 54.622 53.050 0.161 0.000 0.864 237 N CB 0.205 38.750 38.487 0.097 0.000 1.063 237 N HN 0.569 nan 8.380 nan 0.000 0.474 238 G N 2.153 111.021 108.800 0.113 0.000 2.143 238 G HA2 -0.270 3.700 3.960 0.017 0.000 0.248 238 G HA3 -0.270 3.700 3.960 0.017 0.000 0.248 238 G C 0.178 175.191 174.900 0.188 0.000 0.991 238 G CA 0.223 45.381 45.100 0.097 0.000 0.689 238 G HN 0.652 nan 8.290 nan 0.000 0.522 239 R N -1.286 119.303 120.500 0.150 0.000 2.875 239 R HA 0.744 5.095 4.340 0.017 0.000 0.251 239 R C -1.179 175.053 176.300 -0.114 0.000 1.123 239 R CA -0.913 55.160 56.100 -0.044 0.000 1.064 239 R CB 1.176 31.258 30.300 -0.364 0.000 1.205 239 R HN 0.205 nan 8.270 nan 0.000 0.503 240 F N 1.758 121.324 119.950 -0.639 0.000 2.460 240 F HA 0.498 5.035 4.527 0.018 0.000 0.341 240 F C -1.550 173.870 175.800 -0.632 0.000 1.130 240 F CA -1.516 56.247 58.000 -0.396 0.000 0.962 240 F CB 0.529 39.477 39.000 -0.086 0.000 1.171 240 F HN 0.340 nan 8.300 nan 0.000 0.436 241 F N 4.381 124.124 119.950 -0.345 0.000 2.639 241 F HA 0.619 5.157 4.527 0.018 0.000 0.339 241 F C 0.106 175.650 175.800 -0.427 0.000 1.071 241 F CA -1.090 56.602 58.000 -0.514 0.000 0.994 241 F CB 1.469 40.148 39.000 -0.535 0.000 1.341 241 F HN 0.197 nan 8.300 nan 0.000 0.498 242 M N 1.182 120.681 119.600 -0.167 0.000 2.359 242 M HA 0.343 4.833 4.480 0.017 0.000 0.322 242 M C 1.381 177.815 176.300 0.222 0.000 1.166 242 M CA -0.563 54.700 55.300 -0.061 0.000 1.067 242 M CB 1.745 34.200 32.600 -0.241 0.000 1.523 242 M HN 0.680 nan 8.290 nan 0.000 0.467 243 R N 1.237 121.879 120.500 0.237 0.000 2.170 243 R HA -0.184 4.166 4.340 0.017 0.000 0.242 243 R C 0.808 177.169 176.300 0.102 0.000 1.145 243 R CA 2.019 58.237 56.100 0.197 0.000 0.984 243 R CB -0.791 29.529 30.300 0.033 0.000 0.869 243 R HN 0.774 nan 8.270 nan 0.000 0.455 244 N N 1.438 120.171 118.700 0.055 0.000 2.276 244 N HA 0.070 4.821 4.740 0.017 0.000 0.212 244 N C 0.195 175.709 175.510 0.006 0.000 1.127 244 N CA 0.112 53.164 53.050 0.005 0.000 0.834 244 N CB 0.024 38.499 38.487 -0.019 0.000 1.014 244 N HN 0.374 nan 8.380 nan 0.000 0.491 245 L N -0.558 120.704 121.223 0.064 0.000 7.846 245 L HA -0.309 4.042 4.340 0.017 0.000 0.055 245 L C -0.370 176.504 176.870 0.006 0.000 1.341 245 L CA 1.069 55.880 54.840 -0.048 0.000 1.411 245 L CB -0.901 41.062 42.059 -0.161 0.000 2.937 245 L HN 0.530 nan 8.230 nan 0.000 1.204 246 K N 0.379 120.808 120.400 0.049 0.000 6.004 246 K HA -0.096 4.235 4.320 0.017 0.000 0.832 246 K C -2.511 174.090 176.600 0.003 0.000 1.898 246 K CA 0.416 56.709 56.287 0.009 0.000 1.619 246 K CB -0.487 31.953 32.500 -0.101 0.000 2.304 246 K HN 0.421 nan 8.250 nan 0.000 0.279 247 P HA 0.016 nan 4.420 nan 0.000 0.269 247 P C -0.702 176.299 177.300 -0.498 0.000 1.215 247 P CA 0.064 62.968 63.100 -0.327 0.000 0.780 247 P CB 0.328 31.845 31.700 -0.305 0.000 0.898 248 Y N -0.126 119.831 120.300 -0.572 0.000 2.488 248 Y HA 0.217 4.779 4.550 0.019 0.000 0.325 248 Y C 1.945 177.582 175.900 -0.439 0.000 1.204 248 Y CA -0.195 57.627 58.100 -0.462 0.000 1.229 248 Y CB 1.129 39.207 38.460 -0.637 0.000 1.274 248 Y HN 0.432 nan 8.280 nan 0.000 0.493 249 E N 0.904 121.080 120.200 -0.040 0.000 2.447 249 E HA 0.139 4.499 4.350 0.017 0.000 0.195 249 E C -1.082 175.494 176.600 -0.039 0.000 1.028 249 E CA 0.292 56.618 56.400 -0.124 0.000 0.876 249 E CB 0.287 29.985 29.700 -0.004 0.000 0.885 249 E HN 0.474 nan 8.360 nan 0.000 0.500 250 F N 0.000 120.040 119.950 0.150 0.000 2.286 250 F HA 0.000 4.537 4.527 0.017 0.000 0.279 250 F CA 0.000 58.051 58.000 0.085 0.000 1.383 250 F CB 0.000 39.016 39.000 0.027 0.000 1.145 250 F HN 0.000 nan 8.300 nan 0.000 0.574