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 2j7p_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLSARLQEAI GRLRGRGRIT EEDLKATLRE IRRALMDADV NLEVARDFVE DATA SEQUENCE RVREEALGKQ VLESLTPAEV ILATVYEALK EALGGEARLP VLKDRNLWFL DATA SEQUENCE VGLQGSGKTT TAAKLALYYK GKGRRPLLVA ADTQRPAARE QLRLLGEKVG DATA SEQUENCE VPVLEVMDGE SPESIRRRVE EKARLEARDL ILVDTAGRLQ IDEPLMGELA DATA SEQUENCE RLKEVLGPDE VLLVLDAMTG QEALSVARAF DEKVGVTGLV LTKLDGDARG DATA SEQUENCE GAALSARHVT GKPIYFAGVS EKPEGLEPFY PERLAGRILG M VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.992 176.000 -0.013 0.000 1.003 4 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 4 Q CB 0.000 28.729 28.738 -0.015 0.000 1.108 5 L N 1.000 122.221 121.223 -0.004 0.000 2.267 5 L HA 0.629 4.969 4.340 0.000 0.000 0.264 5 L C 0.526 177.401 176.870 0.008 0.000 1.021 5 L CA -0.845 53.998 54.840 0.006 0.000 0.861 5 L CB 1.486 43.553 42.059 0.012 0.000 1.443 5 L HN 0.782 nan 8.230 nan 0.000 0.475 6 S N -0.112 115.595 115.700 0.013 0.000 2.569 6 S HA 0.103 4.573 4.470 0.000 0.000 0.274 6 S C 1.084 175.690 174.600 0.010 0.000 1.353 6 S CA -0.024 58.183 58.200 0.011 0.000 1.023 6 S CB 0.948 64.156 63.200 0.013 0.000 0.876 6 S HN 0.713 nan 8.310 nan 0.000 0.540 7 A N 2.259 125.084 122.820 0.008 0.000 1.917 7 A HA -0.163 4.157 4.320 0.000 0.000 0.219 7 A C 2.315 179.904 177.584 0.009 0.000 1.182 7 A CA 1.868 53.909 52.037 0.007 0.000 0.633 7 A CB -0.909 18.094 19.000 0.006 0.000 0.819 7 A HN 0.974 nan 8.150 nan 0.000 0.448 8 R N -0.496 120.010 120.500 0.010 0.000 2.083 8 R HA -0.066 4.274 4.340 0.000 0.000 0.237 8 R C 1.926 178.236 176.300 0.016 0.000 1.137 8 R CA 1.779 57.886 56.100 0.012 0.000 0.951 8 R CB -0.348 29.960 30.300 0.012 0.000 0.851 8 R HN 0.534 nan 8.270 nan 0.000 0.434 9 L N 0.106 121.340 121.223 0.018 0.000 2.209 9 L HA -0.069 4.271 4.340 0.000 0.000 0.207 9 L C 2.616 179.497 176.870 0.018 0.000 1.094 9 L CA 0.542 55.396 54.840 0.023 0.000 0.790 9 L CB -0.411 41.667 42.059 0.031 0.000 0.932 9 L HN 0.277 nan 8.230 nan 0.000 0.447 10 Q N 0.166 119.974 119.800 0.013 0.000 2.096 10 Q HA -0.273 4.067 4.340 0.000 0.000 0.204 10 Q C 2.058 178.063 176.000 0.008 0.000 0.982 10 Q CA 1.842 57.650 55.803 0.008 0.000 0.850 10 Q CB -0.024 28.717 28.738 0.005 0.000 0.901 10 Q HN 0.400 nan 8.270 nan 0.000 0.422 11 E N 0.303 120.508 120.200 0.009 0.000 2.046 11 E HA -0.070 4.280 4.350 0.000 0.000 0.190 11 E C 1.750 178.356 176.600 0.010 0.000 0.982 11 E CA 1.404 57.809 56.400 0.008 0.000 0.800 11 E CB -0.281 29.423 29.700 0.008 0.000 0.756 11 E HN 0.270 nan 8.360 nan 0.000 0.449 12 A N 0.725 123.554 122.820 0.014 0.000 1.898 12 A HA -0.100 4.220 4.320 0.000 0.000 0.216 12 A C 2.189 179.783 177.584 0.016 0.000 1.181 12 A CA 1.520 53.566 52.037 0.016 0.000 0.620 12 A CB -0.487 18.526 19.000 0.021 0.000 0.819 12 A HN 0.335 nan 8.150 nan 0.000 0.442 13 I N -0.533 120.047 120.570 0.017 0.000 2.400 13 I HA -0.069 4.101 4.170 0.000 0.000 0.248 13 I C 2.717 178.840 176.117 0.010 0.000 1.109 13 I CA 1.389 62.699 61.300 0.016 0.000 1.425 13 I CB -1.914 36.098 38.000 0.020 0.000 1.094 13 I HN 0.345 nan 8.210 nan 0.000 0.425 14 G N 2.337 111.142 108.800 0.008 0.000 2.442 14 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 14 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 14 G C 1.678 176.581 174.900 0.004 0.000 1.141 14 G CA 0.723 45.826 45.100 0.004 0.000 0.763 14 G HN 0.499 nan 8.290 nan 0.000 0.554 15 R N 0.225 120.728 120.500 0.005 0.000 2.341 15 R HA 0.175 4.515 4.340 0.000 0.000 0.213 15 R C 1.753 178.056 176.300 0.005 0.000 1.082 15 R CA 0.776 56.879 56.100 0.005 0.000 1.017 15 R CB -0.385 29.918 30.300 0.005 0.000 0.860 15 R HN 0.407 nan 8.270 nan 0.000 0.473 16 L N 0.342 121.568 121.223 0.005 0.000 2.463 16 L HA 0.201 4.541 4.340 0.000 0.000 0.219 16 L C 0.799 177.671 176.870 0.004 0.000 1.088 16 L CA -0.182 54.661 54.840 0.005 0.000 0.849 16 L CB -0.004 42.059 42.059 0.007 0.000 1.012 16 L HN 0.053 nan 8.230 nan 0.000 0.468 17 R N 0.861 121.363 120.500 0.003 0.000 2.570 17 R HA 0.165 4.505 4.340 0.000 0.000 0.277 17 R C 1.098 177.399 176.300 0.000 0.000 1.039 17 R CA 0.809 56.910 56.100 0.001 0.000 1.065 17 R CB 0.108 30.407 30.300 -0.000 0.000 0.964 17 R HN 0.312 nan 8.270 nan 0.000 0.428 18 G N 2.546 111.346 108.800 0.000 0.000 2.189 18 G HA2 -0.355 3.605 3.960 0.000 0.000 0.267 18 G HA3 -0.355 3.605 3.960 0.000 0.000 0.267 18 G C 0.712 175.612 174.900 0.000 0.000 0.975 18 G CA 0.402 45.502 45.100 -0.000 0.000 0.644 18 G HN 0.641 nan 8.290 nan 0.000 0.537 19 R N 0.074 120.574 120.500 0.001 0.000 2.509 19 R HA 0.463 4.803 4.340 0.000 0.000 0.300 19 R C 1.546 177.847 176.300 0.001 0.000 0.985 19 R CA 0.566 56.667 56.100 0.001 0.000 1.092 19 R CB 0.371 30.672 30.300 0.002 0.000 1.237 19 R HN 1.327 nan 8.270 nan 0.000 0.546 20 G N 1.748 110.549 108.800 0.001 0.000 2.584 20 G HA2 -0.313 3.647 3.960 0.000 0.000 0.229 20 G HA3 -0.313 3.647 3.960 0.000 0.000 0.229 20 G C -0.651 174.250 174.900 0.001 0.000 1.320 20 G CA -0.681 44.419 45.100 0.001 0.000 0.891 20 G HN 0.293 nan 8.290 nan 0.000 0.573 21 R N -0.603 119.897 120.500 0.001 0.000 2.594 21 R HA 0.468 4.808 4.340 0.000 0.000 0.272 21 R C 0.549 176.850 176.300 0.001 0.000 1.074 21 R CA -0.192 55.909 56.100 0.001 0.000 1.105 21 R CB 0.734 31.034 30.300 0.001 0.000 1.008 21 R HN 0.516 nan 8.270 nan 0.000 0.472 22 I N 1.967 122.538 120.570 0.002 0.000 2.385 22 I HA 0.083 4.253 4.170 0.000 0.000 0.294 22 I C 0.595 176.713 176.117 0.001 0.000 0.988 22 I CA -0.252 61.049 61.300 0.002 0.000 1.265 22 I CB 1.468 39.469 38.000 0.003 0.000 1.388 22 I HN 0.733 nan 8.210 nan 0.000 0.480 23 T N 2.578 117.133 114.554 0.002 0.000 2.856 23 T HA 0.052 4.402 4.350 0.000 0.000 0.306 23 T C 0.938 175.638 174.700 0.001 0.000 1.062 23 T CA -0.411 61.690 62.100 0.001 0.000 1.083 23 T CB 1.180 70.049 68.868 0.002 0.000 0.984 23 T HN 0.643 nan 8.240 nan 0.000 0.542 24 E N 0.455 120.655 120.200 0.000 0.000 2.268 24 E HA -0.110 4.240 4.350 0.000 0.000 0.195 24 E C 1.728 178.328 176.600 0.001 0.000 0.995 24 E CA 0.890 57.290 56.400 0.000 0.000 0.836 24 E CB 0.006 29.706 29.700 -0.001 0.000 0.763 24 E HN 0.766 nan 8.360 nan 0.000 0.491 25 E N 0.596 120.797 120.200 0.002 0.000 2.072 25 E HA -0.126 4.224 4.350 0.000 0.000 0.191 25 E C 1.677 178.279 176.600 0.004 0.000 0.985 25 E CA 1.083 57.484 56.400 0.002 0.000 0.801 25 E CB -0.056 29.645 29.700 0.002 0.000 0.750 25 E HN 0.162 nan 8.360 nan 0.000 0.452 26 D N -0.253 120.149 120.400 0.004 0.000 2.183 26 D HA -0.083 4.557 4.640 0.000 0.000 0.203 26 D C 1.880 178.184 176.300 0.006 0.000 0.969 26 D CA 0.333 54.336 54.000 0.005 0.000 0.842 26 D CB -0.051 40.751 40.800 0.005 0.000 0.957 26 D HN 0.076 nan 8.370 nan 0.000 0.484 27 L N 1.562 122.787 121.223 0.005 0.000 1.994 27 L HA -0.154 4.186 4.340 0.000 0.000 0.208 27 L C 2.142 179.015 176.870 0.005 0.000 1.071 27 L CA 1.870 56.712 54.840 0.004 0.000 0.745 27 L CB -0.470 41.590 42.059 0.001 0.000 0.892 27 L HN -0.169 nan 8.230 nan 0.000 0.431 28 K N -0.669 119.734 120.400 0.004 0.000 2.044 28 K HA -0.226 4.094 4.320 0.000 0.000 0.210 28 K C 1.992 178.598 176.600 0.009 0.000 1.049 28 K CA 1.667 57.958 56.287 0.005 0.000 0.927 28 K CB -0.364 32.138 32.500 0.004 0.000 0.713 28 K HN 0.484 nan 8.250 nan 0.000 0.443 29 A N 0.378 123.203 122.820 0.009 0.000 1.933 29 A HA -0.146 4.174 4.320 0.000 0.000 0.218 29 A C 2.174 179.767 177.584 0.014 0.000 1.175 29 A CA 2.211 54.255 52.037 0.010 0.000 0.628 29 A CB -0.973 18.032 19.000 0.009 0.000 0.814 29 A HN 0.474 nan 8.150 nan 0.000 0.444 30 T N 0.576 115.139 114.554 0.015 0.000 2.708 30 T HA -0.089 4.261 4.350 0.000 0.000 0.266 30 T C 1.802 176.518 174.700 0.027 0.000 1.037 30 T CA 1.526 63.637 62.100 0.020 0.000 1.146 30 T CB -0.429 68.450 68.868 0.018 0.000 0.865 30 T HN 0.378 nan 8.240 nan 0.000 0.435 31 L N 0.632 121.869 121.223 0.023 0.000 2.079 31 L HA -0.094 4.246 4.340 0.000 0.000 0.210 31 L C 2.766 179.658 176.870 0.036 0.000 1.081 31 L CA 1.157 56.015 54.840 0.030 0.000 0.752 31 L CB -0.452 41.616 42.059 0.016 0.000 0.896 31 L HN 0.106 nan 8.230 nan 0.000 0.433 32 R N 0.297 120.813 120.500 0.027 0.000 2.096 32 R HA -0.144 4.196 4.340 0.000 0.000 0.235 32 R C 2.174 178.491 176.300 0.028 0.000 1.127 32 R CA 1.277 57.392 56.100 0.025 0.000 0.968 32 R CB -0.216 30.094 30.300 0.017 0.000 0.861 32 R HN 0.215 nan 8.270 nan 0.000 0.440 33 E N 0.247 120.464 120.200 0.028 0.000 2.150 33 E HA -0.116 4.234 4.350 0.000 0.000 0.193 33 E C 2.011 178.634 176.600 0.037 0.000 0.985 33 E CA 1.162 57.578 56.400 0.027 0.000 0.814 33 E CB -0.124 29.590 29.700 0.024 0.000 0.752 33 E HN 0.447 nan 8.360 nan 0.000 0.466 34 I N 0.530 121.131 120.570 0.052 0.000 2.226 34 I HA -0.271 3.899 4.170 0.000 0.000 0.245 34 I C 2.741 178.903 176.117 0.075 0.000 1.100 34 I CA 0.976 62.321 61.300 0.076 0.000 1.374 34 I CB -0.230 37.837 38.000 0.112 0.000 1.057 34 I HN 0.012 nan 8.210 nan 0.000 0.413 35 R N 1.066 121.608 120.500 0.070 0.000 2.083 35 R HA -0.177 4.163 4.340 0.000 0.000 0.237 35 R C 2.491 178.807 176.300 0.028 0.000 1.137 35 R CA 1.611 57.744 56.100 0.055 0.000 0.951 35 R CB -0.093 30.234 30.300 0.045 0.000 0.851 35 R HN 0.273 nan 8.270 nan 0.000 0.434 36 R N -0.410 120.104 120.500 0.023 0.000 2.092 36 R HA -0.057 4.283 4.340 0.000 0.000 0.231 36 R C 2.331 178.635 176.300 0.008 0.000 1.119 36 R CA 1.203 57.310 56.100 0.013 0.000 0.970 36 R CB -0.303 30.005 30.300 0.013 0.000 0.864 36 R HN 0.254 nan 8.270 nan 0.000 0.440 37 A N 1.392 124.221 122.820 0.014 0.000 1.902 37 A HA -0.136 4.184 4.320 0.000 0.000 0.217 37 A C 2.178 179.756 177.584 -0.010 0.000 1.181 37 A CA 1.198 53.240 52.037 0.007 0.000 0.623 37 A CB -0.531 18.480 19.000 0.019 0.000 0.818 37 A HN 0.168 nan 8.150 nan 0.000 0.443 38 L N -1.197 120.015 121.223 -0.018 0.000 2.056 38 L HA -0.195 4.145 4.340 0.000 0.000 0.207 38 L C 2.889 179.731 176.870 -0.046 0.000 1.078 38 L CA 1.073 55.878 54.840 -0.058 0.000 0.749 38 L CB -0.503 41.503 42.059 -0.089 0.000 0.901 38 L HN 0.347 nan 8.230 nan 0.000 0.433 39 M N -0.421 119.163 119.600 -0.026 0.000 2.086 39 M HA -0.224 4.256 4.480 0.000 0.000 0.261 39 M C 1.851 178.141 176.300 -0.017 0.000 1.067 39 M CA 1.692 56.980 55.300 -0.021 0.000 1.116 39 M CB -1.035 31.558 32.600 -0.011 0.000 1.348 39 M HN 0.199 nan 8.290 nan 0.000 0.407 40 D N 0.483 120.876 120.400 -0.012 0.000 2.228 40 D HA -0.089 4.551 4.640 0.000 0.000 0.203 40 D C 1.521 177.814 176.300 -0.011 0.000 0.988 40 D CA 1.327 55.322 54.000 -0.008 0.000 0.864 40 D CB -0.032 40.766 40.800 -0.003 0.000 0.928 40 D HN 0.362 nan 8.370 nan 0.000 0.469 41 A N -0.091 122.718 122.820 -0.019 0.000 2.307 41 A HA 0.018 4.338 4.320 0.000 0.000 0.218 41 A C 0.269 177.837 177.584 -0.027 0.000 1.228 41 A CA 0.070 52.094 52.037 -0.022 0.000 0.857 41 A CB 0.169 19.150 19.000 -0.032 0.000 0.897 41 A HN 0.010 nan 8.150 nan 0.000 0.495 42 D N -0.438 119.946 120.400 -0.027 0.000 2.772 42 D HA -0.125 4.515 4.640 0.000 0.000 0.233 42 D C -0.307 175.968 176.300 -0.041 0.000 1.143 42 D CA 0.857 54.840 54.000 -0.028 0.000 0.700 42 D CB -1.510 39.278 40.800 -0.020 0.000 1.076 42 D HN 0.229 nan 8.370 nan 0.000 0.430 43 V N 1.328 121.208 119.914 -0.057 0.000 2.614 43 V HA 0.028 4.148 4.120 0.000 0.000 0.291 43 V C 1.289 177.344 176.094 -0.065 0.000 1.049 43 V CA -0.537 61.716 62.300 -0.078 0.000 1.038 43 V CB 1.509 33.260 31.823 -0.119 0.000 0.980 43 V HN 0.252 nan 8.190 nan 0.000 0.481 44 N N 2.911 121.571 118.700 -0.067 0.000 2.353 44 N HA -0.037 4.703 4.740 0.000 0.000 0.248 44 N C 1.115 176.588 175.510 -0.061 0.000 1.240 44 N CA -0.143 52.872 53.050 -0.057 0.000 0.862 44 N CB 0.957 39.409 38.487 -0.059 0.000 1.086 44 N HN 0.730 nan 8.380 nan 0.000 0.453 45 L N 3.498 124.696 121.223 -0.040 0.000 2.083 45 L HA -0.106 4.234 4.340 0.000 0.000 0.209 45 L C 1.707 178.555 176.870 -0.036 0.000 1.083 45 L CA 1.651 56.473 54.840 -0.031 0.000 0.752 45 L CB -0.327 41.722 42.059 -0.017 0.000 0.899 45 L HN 0.634 nan 8.230 nan 0.000 0.433 46 E N -0.026 120.145 120.200 -0.047 0.000 2.112 46 E HA -0.100 4.250 4.350 0.000 0.000 0.190 46 E C 2.224 178.757 176.600 -0.111 0.000 0.979 46 E CA 1.204 57.573 56.400 -0.052 0.000 0.814 46 E CB -0.219 29.460 29.700 -0.036 0.000 0.762 46 E HN 0.419 nan 8.360 nan 0.000 0.460 47 V N 1.540 121.337 119.914 -0.195 0.000 2.343 47 V HA -0.269 3.851 4.120 0.000 0.000 0.247 47 V C 2.333 178.340 176.094 -0.145 0.000 1.051 47 V CA 1.865 63.947 62.300 -0.363 0.000 1.036 47 V CB -0.728 30.853 31.823 -0.404 0.000 0.654 47 V HN 0.339 nan 8.190 nan 0.000 0.451 48 A N -0.149 122.626 122.820 -0.075 0.000 1.902 48 A HA -0.237 4.083 4.320 0.000 0.000 0.217 48 A C 2.431 180.059 177.584 0.074 0.000 1.181 48 A CA 1.949 53.991 52.037 0.008 0.000 0.623 48 A CB -0.553 18.437 19.000 -0.016 0.000 0.818 48 A HN 0.462 nan 8.150 nan 0.000 0.443 49 R N -0.349 120.167 120.500 0.027 0.000 2.073 49 R HA -0.176 4.164 4.340 0.000 0.000 0.234 49 R C 1.549 177.875 176.300 0.043 0.000 1.134 49 R CA 1.908 58.028 56.100 0.033 0.000 0.952 49 R CB -0.404 29.903 30.300 0.012 0.000 0.850 49 R HN 0.455 nan 8.270 nan 0.000 0.433 50 D N -0.067 120.352 120.400 0.032 0.000 2.106 50 D HA -0.213 4.427 4.640 0.000 0.000 0.191 50 D C 1.519 177.872 176.300 0.089 0.000 0.997 50 D CA 1.381 55.414 54.000 0.056 0.000 0.834 50 D CB -0.414 40.422 40.800 0.059 0.000 0.956 50 D HN 0.205 nan 8.370 nan 0.000 0.448 51 F N 1.115 121.050 119.950 -0.025 0.000 2.069 51 F HA -0.226 4.301 4.527 0.000 0.000 0.298 51 F C 2.168 177.968 175.800 -0.000 0.000 1.113 51 F CA 1.165 59.162 58.000 -0.005 0.000 1.214 51 F CB -0.316 38.673 39.000 -0.018 0.000 0.978 51 F HN -0.176 nan 8.300 nan 0.000 0.474 52 V N 0.386 120.352 119.914 0.087 0.000 2.490 52 V HA -0.279 3.841 4.120 0.000 0.000 0.250 52 V C 2.196 178.244 176.094 -0.077 0.000 1.061 52 V CA 2.178 64.472 62.300 -0.010 0.000 1.064 52 V CB -0.750 31.128 31.823 0.092 0.000 0.670 52 V HN 0.374 nan 8.190 nan 0.000 0.461 53 E N -0.159 120.013 120.200 -0.047 0.000 2.077 53 E HA -0.200 4.150 4.350 0.000 0.000 0.193 53 E C 2.528 179.073 176.600 -0.091 0.000 0.989 53 E CA 1.131 57.502 56.400 -0.048 0.000 0.800 53 E CB -0.157 29.533 29.700 -0.017 0.000 0.746 53 E HN 0.506 nan 8.360 nan 0.000 0.452 54 R N 0.212 120.629 120.500 -0.138 0.000 2.081 54 R HA -0.124 4.216 4.340 0.000 0.000 0.235 54 R C 2.413 178.573 176.300 -0.234 0.000 1.131 54 R CA 1.193 57.187 56.100 -0.177 0.000 0.960 54 R CB -0.378 29.798 30.300 -0.207 0.000 0.856 54 R HN 0.090 nan 8.270 nan 0.000 0.436 55 V N 1.017 120.720 119.914 -0.351 0.000 2.343 55 V HA -0.275 3.845 4.120 0.000 0.000 0.247 55 V C 2.521 178.532 176.094 -0.139 0.000 1.051 55 V CA 1.845 63.974 62.300 -0.285 0.000 1.036 55 V CB -0.602 31.028 31.823 -0.322 0.000 0.654 55 V HN 0.344 nan 8.190 nan 0.000 0.451 56 R N -0.087 120.350 120.500 -0.106 0.000 2.083 56 R HA -0.196 4.144 4.340 0.000 0.000 0.237 56 R C 2.330 178.598 176.300 -0.053 0.000 1.137 56 R CA 1.800 57.864 56.100 -0.060 0.000 0.951 56 R CB -0.163 30.111 30.300 -0.043 0.000 0.851 56 R HN 0.483 nan 8.270 nan 0.000 0.434 57 E N 0.772 120.935 120.200 -0.062 0.000 2.051 57 E HA -0.184 4.166 4.350 0.000 0.000 0.192 57 E C 1.913 178.484 176.600 -0.048 0.000 0.991 57 E CA 1.440 57.811 56.400 -0.049 0.000 0.799 57 E CB -0.181 29.491 29.700 -0.047 0.000 0.748 57 E HN 0.537 nan 8.360 nan 0.000 0.449 58 E N 0.797 120.959 120.200 -0.064 0.000 2.106 58 E HA -0.109 4.242 4.350 0.000 0.000 0.192 58 E C 2.036 178.614 176.600 -0.037 0.000 0.984 58 E CA 0.941 57.310 56.400 -0.052 0.000 0.806 58 E CB -0.107 29.554 29.700 -0.065 0.000 0.750 58 E HN 0.198 nan 8.360 nan 0.000 0.458 59 A N 1.329 124.125 122.820 -0.040 0.000 1.877 59 A HA -0.165 4.155 4.320 0.000 0.000 0.216 59 A C 2.212 179.785 177.584 -0.018 0.000 1.186 59 A CA 1.089 53.111 52.037 -0.025 0.000 0.620 59 A CB -0.673 18.312 19.000 -0.024 0.000 0.822 59 A HN 0.124 nan 8.150 nan 0.000 0.443 60 L N -0.638 120.572 121.223 -0.021 0.000 2.046 60 L HA -0.136 4.204 4.340 0.000 0.000 0.208 60 L C 2.778 179.639 176.870 -0.014 0.000 1.077 60 L CA 1.114 55.945 54.840 -0.016 0.000 0.747 60 L CB -0.804 41.245 42.059 -0.017 0.000 0.896 60 L HN 0.489 nan 8.230 nan 0.000 0.432 61 G N -0.213 108.577 108.800 -0.017 0.000 2.470 61 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 61 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 61 G C 1.482 176.376 174.900 -0.010 0.000 1.121 61 G CA 0.347 45.438 45.100 -0.014 0.000 0.766 61 G HN 0.320 nan 8.290 nan 0.000 0.553 62 K N 0.442 120.836 120.400 -0.010 0.000 2.469 62 K HA 0.093 4.413 4.320 0.000 0.000 0.201 62 K C 0.437 177.035 176.600 -0.004 0.000 1.028 62 K CA -0.155 56.129 56.287 -0.006 0.000 1.170 62 K CB 0.269 32.767 32.500 -0.004 0.000 0.874 62 K HN 0.073 nan 8.250 nan 0.000 0.507 63 Q N -0.467 119.330 119.800 -0.005 0.000 2.434 63 Q HA -0.219 4.121 4.340 0.000 0.000 0.299 63 Q C 0.961 176.959 176.000 -0.003 0.000 1.286 63 Q CA 0.570 56.370 55.803 -0.004 0.000 0.872 63 Q CB -2.553 26.183 28.738 -0.003 0.000 1.193 63 Q HN 0.289 nan 8.270 nan 0.000 0.466 64 V N -0.145 119.766 119.914 -0.004 0.000 2.469 64 V HA -0.233 3.887 4.120 0.000 0.000 0.251 64 V C 1.941 178.034 176.094 -0.002 0.000 1.064 64 V CA 2.215 64.514 62.300 -0.002 0.000 1.066 64 V CB -0.125 31.696 31.823 -0.003 0.000 0.667 64 V HN 0.580 nan 8.190 nan 0.000 0.461 65 L N -0.708 120.513 121.223 -0.003 0.000 2.395 65 L HA 0.036 4.376 4.340 0.000 0.000 0.218 65 L C 2.409 179.278 176.870 -0.001 0.000 1.130 65 L CA 0.919 55.758 54.840 -0.002 0.000 0.826 65 L CB -0.345 41.712 42.059 -0.003 0.000 0.941 65 L HN 0.314 nan 8.230 nan 0.000 0.451 66 E N -0.527 119.672 120.200 -0.001 0.000 2.415 66 E HA 0.043 4.393 4.350 0.000 0.000 0.197 66 E C 0.748 177.348 176.600 -0.000 0.000 1.007 66 E CA -0.029 56.370 56.400 -0.001 0.000 0.890 66 E CB 0.610 30.309 29.700 -0.001 0.000 0.891 66 E HN 0.145 nan 8.360 nan 0.000 0.496 67 S N 0.444 116.144 115.700 -0.000 0.000 2.564 67 S HA 0.123 4.593 4.470 0.000 0.000 0.278 67 S C 1.168 175.769 174.600 0.001 0.000 1.333 67 S CA -0.302 57.898 58.200 0.001 0.000 1.048 67 S CB 0.526 63.727 63.200 0.001 0.000 0.900 67 S HN 0.153 nan 8.310 nan 0.000 0.505 68 L N 3.471 124.695 121.223 0.001 0.000 2.509 68 L HA 0.118 4.458 4.340 0.000 0.000 0.222 68 L C 1.399 178.270 176.870 0.001 0.000 1.123 68 L CA 0.549 55.390 54.840 0.001 0.000 0.856 68 L CB -0.126 41.934 42.059 0.000 0.000 0.985 68 L HN 0.822 nan 8.230 nan 0.000 0.456 69 T N -4.154 110.401 114.554 0.002 0.000 3.350 69 T HA 0.259 4.609 4.350 0.000 0.000 0.246 69 T C -1.694 173.008 174.700 0.004 0.000 1.284 69 T CA -1.507 60.595 62.100 0.002 0.000 1.329 69 T CB 0.352 69.221 68.868 0.002 0.000 1.033 69 T HN -0.079 nan 8.240 nan 0.000 0.632 70 P HA -0.043 nan 4.420 nan 0.000 0.218 70 P C 1.740 179.045 177.300 0.008 0.000 1.149 70 P CA 0.988 64.091 63.100 0.005 0.000 0.817 70 P CB -0.007 31.696 31.700 0.005 0.000 0.785 71 A N 0.832 123.657 122.820 0.008 0.000 1.908 71 A HA -0.207 4.113 4.320 0.000 0.000 0.218 71 A C 2.331 179.922 177.584 0.012 0.000 1.181 71 A CA 1.586 53.629 52.037 0.010 0.000 0.627 71 A CB -1.082 17.922 19.000 0.007 0.000 0.818 71 A HN 0.072 nan 8.150 nan 0.000 0.445 72 E N -0.220 119.985 120.200 0.008 0.000 2.051 72 E HA -0.115 4.235 4.350 0.000 0.000 0.192 72 E C 2.277 178.887 176.600 0.016 0.000 0.991 72 E CA 1.390 57.795 56.400 0.009 0.000 0.799 72 E CB -0.589 29.113 29.700 0.004 0.000 0.748 72 E HN 0.395 nan 8.360 nan 0.000 0.449 73 V N 1.557 121.480 119.914 0.014 0.000 2.295 73 V HA -0.246 3.874 4.120 0.000 0.000 0.246 73 V C 2.461 178.568 176.094 0.022 0.000 1.049 73 V CA 1.504 63.814 62.300 0.015 0.000 1.024 73 V CB -0.459 31.369 31.823 0.008 0.000 0.648 73 V HN 0.177 nan 8.190 nan 0.000 0.447 74 I N -0.738 119.845 120.570 0.022 0.000 2.142 74 I HA -0.230 3.940 4.170 0.000 0.000 0.240 74 I C 2.401 178.549 176.117 0.051 0.000 1.078 74 I CA 1.300 62.618 61.300 0.029 0.000 1.343 74 I CB -0.430 37.586 38.000 0.026 0.000 1.046 74 I HN 0.282 nan 8.210 nan 0.000 0.405 75 L N 1.270 122.524 121.223 0.052 0.000 1.989 75 L HA -0.218 4.122 4.340 0.000 0.000 0.211 75 L C 2.603 179.539 176.870 0.110 0.000 1.071 75 L CA 2.298 57.181 54.840 0.073 0.000 0.749 75 L CB -1.001 41.083 42.059 0.041 0.000 0.890 75 L HN 0.238 nan 8.230 nan 0.000 0.431 76 A N -1.772 121.098 122.820 0.084 0.000 1.892 76 A HA -0.261 4.059 4.320 0.000 0.000 0.218 76 A C 2.273 179.935 177.584 0.131 0.000 1.188 76 A CA 2.585 54.690 52.037 0.113 0.000 0.631 76 A CB -1.324 17.717 19.000 0.068 0.000 0.822 76 A HN 0.539 nan 8.150 nan 0.000 0.447 77 T N -0.446 114.155 114.554 0.078 0.000 2.720 77 T HA -0.128 4.222 4.350 0.000 0.000 0.268 77 T C 1.875 176.613 174.700 0.064 0.000 1.037 77 T CA 1.647 63.774 62.100 0.044 0.000 1.144 77 T CB -0.446 68.424 68.868 0.003 0.000 0.864 77 T HN 0.168 nan 8.240 nan 0.000 0.444 78 V N 0.315 120.299 119.914 0.117 0.000 2.307 78 V HA -0.139 3.981 4.120 0.000 0.000 0.245 78 V C 2.002 178.260 176.094 0.273 0.000 1.045 78 V CA 1.607 64.034 62.300 0.211 0.000 1.024 78 V CB -0.686 31.272 31.823 0.224 0.000 0.651 78 V HN 0.512 nan 8.190 nan 0.000 0.449 79 Y N 1.253 121.623 120.300 0.118 0.000 2.114 79 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 79 Y C 2.649 178.607 175.900 0.098 0.000 1.143 79 Y CA 1.981 60.139 58.100 0.095 0.000 1.135 79 Y CB -0.249 38.242 38.460 0.053 0.000 0.980 79 Y HN 0.204 nan 8.280 nan 0.000 0.499 80 E N 0.633 120.839 120.200 0.010 0.000 2.070 80 E HA -0.272 4.078 4.350 0.000 0.000 0.197 80 E C 2.398 178.965 176.600 -0.055 0.000 1.004 80 E CA 1.437 57.800 56.400 -0.061 0.000 0.805 80 E CB -0.914 28.821 29.700 0.058 0.000 0.744 80 E HN 0.606 nan 8.360 nan 0.000 0.451 81 A N 0.835 123.674 122.820 0.032 0.000 1.969 81 A HA -0.128 4.192 4.320 0.000 0.000 0.218 81 A C 2.224 179.967 177.584 0.265 0.000 1.169 81 A CA 1.102 53.193 52.037 0.089 0.000 0.635 81 A CB -0.453 18.517 19.000 -0.049 0.000 0.810 81 A HN 0.224 nan 8.150 nan 0.000 0.445 82 L N 0.081 121.462 121.223 0.263 0.000 2.027 82 L HA -0.088 4.252 4.340 0.000 0.000 0.206 82 L C 2.286 179.124 176.870 -0.053 0.000 1.074 82 L CA 2.543 57.437 54.840 0.089 0.000 0.745 82 L CB -0.637 41.385 42.059 -0.062 0.000 0.898 82 L HN 0.472 nan 8.230 nan 0.000 0.433 83 K N -0.411 119.865 120.400 -0.206 0.000 2.009 83 K HA -0.294 4.026 4.320 0.000 0.000 0.210 83 K C 2.151 178.709 176.600 -0.071 0.000 1.049 83 K CA 2.102 58.264 56.287 -0.207 0.000 0.929 83 K CB -0.254 32.013 32.500 -0.388 0.000 0.714 83 K HN 0.504 nan 8.250 nan 0.000 0.440 84 E N -0.234 119.941 120.200 -0.043 0.000 2.077 84 E HA -0.196 4.154 4.350 0.000 0.000 0.193 84 E C 1.757 178.376 176.600 0.032 0.000 0.989 84 E CA 1.192 57.592 56.400 0.000 0.000 0.800 84 E CB -0.176 29.527 29.700 0.006 0.000 0.746 84 E HN 0.455 nan 8.360 nan 0.000 0.452 85 A N 0.623 123.488 122.820 0.074 0.000 1.972 85 A HA -0.113 4.208 4.320 0.000 0.000 0.219 85 A C 2.072 179.688 177.584 0.053 0.000 1.169 85 A CA 1.023 53.117 52.037 0.093 0.000 0.635 85 A CB -0.461 18.648 19.000 0.181 0.000 0.810 85 A HN 0.332 nan 8.150 nan 0.000 0.446 86 L N -1.848 119.405 121.223 0.050 0.000 2.554 86 L HA 0.205 4.545 4.340 0.000 0.000 0.226 86 L C 1.656 178.602 176.870 0.128 0.000 1.137 86 L CA 0.649 55.548 54.840 0.097 0.000 0.863 86 L CB 0.076 42.236 42.059 0.170 0.000 0.985 86 L HN 0.584 nan 8.230 nan 0.000 0.451 87 G N -2.103 106.734 108.800 0.061 0.000 2.425 87 G HA2 -0.021 3.939 3.960 0.000 0.000 0.177 87 G HA3 -0.021 3.939 3.960 0.000 0.000 0.177 87 G C 0.818 175.730 174.900 0.020 0.000 0.999 87 G CA -0.316 44.804 45.100 0.034 0.000 0.723 87 G HN 0.424 nan 8.290 nan 0.000 0.491 88 G N -0.194 108.614 108.800 0.013 0.000 5.155 88 G HA2 -0.239 3.721 3.960 0.000 0.000 0.239 88 G HA3 -0.239 3.721 3.960 0.000 0.000 0.239 88 G C 0.091 174.993 174.900 0.003 0.000 1.409 88 G CA 1.154 46.252 45.100 -0.002 0.000 0.927 88 G HN 1.168 nan 8.290 nan 0.000 0.710 89 E N 0.682 120.891 120.200 0.015 0.000 2.359 89 E HA 0.684 5.034 4.350 0.000 0.000 0.266 89 E C 0.327 176.938 176.600 0.019 0.000 0.920 89 E CA -0.096 56.321 56.400 0.028 0.000 0.788 89 E CB 1.695 31.417 29.700 0.036 0.000 1.279 89 E HN 1.089 nan 8.360 nan 0.000 0.438 90 A N 1.628 124.462 122.820 0.023 0.000 2.462 90 A HA 0.423 4.744 4.320 0.000 0.000 0.243 90 A C -0.001 177.570 177.584 -0.022 0.000 1.076 90 A CA 0.284 52.286 52.037 -0.059 0.000 0.773 90 A CB 0.205 19.108 19.000 -0.162 0.000 1.010 90 A HN 0.480 nan 8.150 nan 0.000 0.493 91 R N 1.029 121.507 120.500 -0.037 0.000 2.566 91 R HA 0.514 4.854 4.340 0.000 0.000 0.271 91 R C -1.375 174.933 176.300 0.012 0.000 1.071 91 R CA -0.581 55.528 56.100 0.015 0.000 0.915 91 R CB 1.702 32.029 30.300 0.046 0.000 1.228 91 R HN 0.711 nan 8.270 nan 0.000 0.449 92 L N 2.526 123.748 121.223 -0.003 0.000 2.332 92 L HA 0.622 4.963 4.340 0.000 0.000 0.269 92 L C -2.016 174.775 176.870 -0.131 0.000 1.016 92 L CA -2.344 52.428 54.840 -0.114 0.000 0.809 92 L CB 1.488 43.540 42.059 -0.011 0.000 1.280 92 L HN 0.312 nan 8.230 nan 0.000 0.447 93 P HA 0.009 nan 4.420 nan 0.000 0.268 93 P C -0.790 176.488 177.300 -0.037 0.000 1.208 93 P CA -0.281 62.527 63.100 -0.486 0.000 0.777 93 P CB 0.424 31.634 31.700 -0.817 0.000 0.875 94 V N 3.975 123.894 119.914 0.009 0.000 2.439 94 V HA 0.059 4.179 4.120 0.000 0.000 0.271 94 V C 0.597 176.766 176.094 0.125 0.000 1.040 94 V CA 0.011 62.357 62.300 0.077 0.000 1.002 94 V CB -0.339 31.521 31.823 0.062 0.000 1.000 94 V HN 0.324 nan 8.190 nan 0.000 0.477 95 L N 6.205 127.505 121.223 0.129 0.000 2.350 95 L HA 0.507 4.847 4.340 0.000 0.000 0.275 95 L C 0.396 177.302 176.870 0.060 0.000 1.099 95 L CA -0.261 54.637 54.840 0.097 0.000 0.808 95 L CB 0.765 42.865 42.059 0.068 0.000 1.149 95 L HN 0.627 nan 8.230 nan 0.000 0.442 96 K N 0.787 121.208 120.400 0.036 0.000 2.208 96 K HA 0.295 4.615 4.320 0.000 0.000 0.240 96 K C -0.013 176.584 176.600 -0.005 0.000 1.088 96 K CA -0.994 55.306 56.287 0.022 0.000 0.902 96 K CB 0.774 33.291 32.500 0.029 0.000 1.355 96 K HN 0.314 nan 8.250 nan 0.000 0.526 97 D N 0.396 120.793 120.400 -0.005 0.000 2.144 97 D HA -0.079 4.561 4.640 0.000 0.000 0.199 97 D C 0.168 176.447 176.300 -0.035 0.000 0.984 97 D CA 1.428 55.419 54.000 -0.016 0.000 0.834 97 D CB 0.180 40.975 40.800 -0.009 0.000 0.955 97 D HN 0.162 nan 8.370 nan 0.000 0.465 98 R N -0.328 120.151 120.500 -0.035 0.000 2.574 98 R HA 0.428 4.768 4.340 0.000 0.000 0.288 98 R C -1.677 174.585 176.300 -0.063 0.000 1.004 98 R CA -0.530 55.534 56.100 -0.059 0.000 0.895 98 R CB 1.177 31.451 30.300 -0.044 0.000 1.191 98 R HN -0.169 nan 8.270 nan 0.000 0.444 99 N N 2.646 121.261 118.700 -0.142 0.000 2.296 99 N HA 0.459 5.199 4.740 0.000 0.000 0.294 99 N C -1.778 173.578 175.510 -0.257 0.000 1.033 99 N CA -0.630 52.316 53.050 -0.174 0.000 0.839 99 N CB 2.240 40.536 38.487 -0.320 0.000 1.395 99 N HN 0.324 nan 8.380 nan 0.000 0.479 100 L N 2.688 123.877 121.223 -0.057 0.000 2.372 100 L HA 0.622 4.962 4.340 0.000 0.000 0.274 100 L C -1.559 175.488 176.870 0.296 0.000 0.988 100 L CA -0.550 54.302 54.840 0.019 0.000 0.833 100 L CB 0.621 42.725 42.059 0.076 0.000 1.236 100 L HN 0.511 nan 8.230 nan 0.000 0.410 101 W N 3.917 125.269 121.300 0.085 0.000 2.606 101 W HA 0.459 5.119 4.660 0.000 0.000 0.332 101 W C -0.626 176.088 176.519 0.325 0.000 1.052 101 W CA -1.257 56.163 57.345 0.126 0.000 1.223 101 W CB 1.179 30.671 29.460 0.053 0.000 1.383 101 W HN 0.160 nan 8.180 nan 0.000 0.524 102 F N 2.248 122.332 119.950 0.224 0.000 2.399 102 F HA 0.485 5.012 4.527 0.000 0.000 0.334 102 F C 0.015 175.881 175.800 0.111 0.000 1.097 102 F CA -1.797 56.283 58.000 0.134 0.000 1.076 102 F CB 0.835 39.895 39.000 0.099 0.000 1.162 102 F HN -0.163 nan 8.300 nan 0.000 0.495 103 L N 4.400 125.738 121.223 0.193 0.000 2.280 103 L HA 0.670 5.010 4.340 0.000 0.000 0.287 103 L C -0.337 176.563 176.870 0.049 0.000 1.023 103 L CA -0.656 54.244 54.840 0.100 0.000 0.819 103 L CB 1.358 43.453 42.059 0.060 0.000 1.212 103 L HN 0.436 nan 8.230 nan 0.000 0.420 104 V N 0.266 120.191 119.914 0.017 0.000 3.074 104 V HA 1.136 5.256 4.120 0.000 0.000 0.314 104 V C -0.024 175.908 176.094 -0.270 0.000 1.117 104 V CA 0.022 62.302 62.300 -0.032 0.000 1.014 104 V CB 1.633 33.523 31.823 0.111 0.000 1.057 104 V HN 0.891 nan 8.190 nan 0.000 0.438 105 G N 0.997 109.566 108.800 -0.384 0.000 2.362 105 G HA2 0.254 4.214 3.960 0.000 0.000 0.288 105 G HA3 0.254 4.214 3.960 0.000 0.000 0.288 105 G C -1.363 173.433 174.900 -0.173 0.000 1.305 105 G CA -0.662 44.072 45.100 -0.611 0.000 0.910 105 G HN 1.040 nan 8.290 nan 0.000 0.518 106 L N 0.359 121.519 121.223 -0.105 0.000 2.464 106 L HA 0.342 4.682 4.340 0.000 0.000 0.264 106 L C 0.879 177.763 176.870 0.022 0.000 1.199 106 L CA -0.560 54.305 54.840 0.041 0.000 0.818 106 L CB 0.526 42.607 42.059 0.037 0.000 1.102 106 L HN 0.568 nan 8.230 nan 0.000 0.473 107 Q N 1.239 121.065 119.800 0.043 0.000 2.262 107 Q HA 0.212 4.552 4.340 0.000 0.000 0.298 107 Q C 0.938 176.944 176.000 0.010 0.000 1.083 107 Q CA 1.205 57.023 55.803 0.025 0.000 0.962 107 Q CB 0.154 28.909 28.738 0.028 0.000 1.104 107 Q HN 0.831 nan 8.270 nan 0.000 0.376 108 G N 1.388 110.189 108.800 0.002 0.000 2.159 108 G HA2 -0.348 3.612 3.960 0.000 0.000 0.256 108 G HA3 -0.348 3.612 3.960 0.000 0.000 0.256 108 G C 0.956 175.850 174.900 -0.009 0.000 0.977 108 G CA 0.575 45.674 45.100 -0.002 0.000 0.652 108 G HN 0.775 nan 8.290 nan 0.000 0.531 109 S N -0.648 115.041 115.700 -0.019 0.000 2.447 109 S HA 0.358 4.828 4.470 0.000 0.000 0.233 109 S C 2.109 176.694 174.600 -0.025 0.000 1.006 109 S CA 1.611 59.794 58.200 -0.029 0.000 0.957 109 S CB 0.063 63.230 63.200 -0.055 0.000 0.773 109 S HN 2.391 nan 8.310 nan 0.000 0.507 110 G N 0.728 109.516 108.800 -0.020 0.000 2.151 110 G HA2 -0.160 3.800 3.960 0.000 0.000 0.140 110 G HA3 -0.160 3.800 3.960 0.000 0.000 0.140 110 G C 0.567 175.458 174.900 -0.015 0.000 1.020 110 G CA 0.108 45.200 45.100 -0.014 0.000 0.688 110 G HN 0.449 nan 8.290 nan 0.000 0.500 111 K N -0.109 120.279 120.400 -0.019 0.000 2.002 111 K HA -0.061 4.259 4.320 0.000 0.000 0.209 111 K C 2.582 179.176 176.600 -0.009 0.000 1.048 111 K CA 1.973 58.250 56.287 -0.016 0.000 0.930 111 K CB -0.333 32.154 32.500 -0.022 0.000 0.714 111 K HN 0.281 nan 8.250 nan 0.000 0.438 112 T N 0.816 115.364 114.554 -0.011 0.000 2.720 112 T HA -0.137 4.213 4.350 0.000 0.000 0.268 112 T C 1.957 176.652 174.700 -0.007 0.000 1.037 112 T CA 1.898 63.992 62.100 -0.010 0.000 1.144 112 T CB -0.428 68.434 68.868 -0.010 0.000 0.864 112 T HN 0.298 nan 8.240 nan 0.000 0.444 113 T N 1.684 116.234 114.554 -0.006 0.000 2.746 113 T HA -0.107 4.243 4.350 0.000 0.000 0.267 113 T C 2.275 176.970 174.700 -0.008 0.000 1.039 113 T CA 1.588 63.685 62.100 -0.005 0.000 1.142 113 T CB -0.662 68.204 68.868 -0.004 0.000 0.866 113 T HN 0.384 nan 8.240 nan 0.000 0.444 114 T N 1.844 116.392 114.554 -0.011 0.000 2.821 114 T HA 0.039 4.390 4.350 0.000 0.000 0.267 114 T C 2.410 177.101 174.700 -0.016 0.000 1.046 114 T CA 0.998 63.085 62.100 -0.021 0.000 1.139 114 T CB -0.517 68.342 68.868 -0.014 0.000 0.871 114 T HN 0.429 nan 8.240 nan 0.000 0.454 115 A N 1.669 124.491 122.820 0.004 0.000 1.865 115 A HA 0.024 4.344 4.320 0.000 0.000 0.217 115 A C 2.641 180.230 177.584 0.009 0.000 1.191 115 A CA 2.041 54.088 52.037 0.017 0.000 0.623 115 A CB -1.191 17.816 19.000 0.012 0.000 0.826 115 A HN 0.516 nan 8.150 nan 0.000 0.444 116 A N -0.614 122.207 122.820 0.001 0.000 1.969 116 A HA -0.123 4.197 4.320 0.000 0.000 0.218 116 A C 2.090 179.678 177.584 0.006 0.000 1.169 116 A CA 1.742 53.781 52.037 0.003 0.000 0.635 116 A CB -0.388 18.613 19.000 0.000 0.000 0.810 116 A HN 0.573 nan 8.150 nan 0.000 0.445 117 K N -0.349 120.047 120.400 -0.008 0.000 2.026 117 K HA -0.057 4.263 4.320 0.000 0.000 0.208 117 K C 1.840 178.429 176.600 -0.019 0.000 1.048 117 K CA 1.439 57.716 56.287 -0.017 0.000 0.929 117 K CB -0.410 32.060 32.500 -0.051 0.000 0.713 117 K HN 0.452 nan 8.250 nan 0.000 0.439 118 L N 0.658 121.855 121.223 -0.043 0.000 2.012 118 L HA -0.225 4.115 4.340 0.000 0.000 0.210 118 L C 2.625 179.597 176.870 0.171 0.000 1.073 118 L CA 1.239 56.098 54.840 0.030 0.000 0.748 118 L CB -0.668 41.438 42.059 0.078 0.000 0.891 118 L HN 0.228 nan 8.230 nan 0.000 0.431 119 A N 0.054 122.925 122.820 0.085 0.000 1.873 119 A HA -0.279 4.041 4.320 0.000 0.000 0.218 119 A C 2.232 179.867 177.584 0.084 0.000 1.193 119 A CA 2.237 54.316 52.037 0.069 0.000 0.629 119 A CB -0.861 18.152 19.000 0.021 0.000 0.826 119 A HN 0.343 nan 8.150 nan 0.000 0.447 120 L N -1.988 119.273 121.223 0.064 0.000 2.056 120 L HA -0.102 4.239 4.340 0.000 0.000 0.207 120 L C 2.320 179.217 176.870 0.045 0.000 1.078 120 L CA 2.311 57.178 54.840 0.044 0.000 0.749 120 L CB -0.825 41.253 42.059 0.033 0.000 0.901 120 L HN 0.521 nan 8.230 nan 0.000 0.433 121 Y N -1.128 119.126 120.300 -0.077 0.000 2.128 121 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 121 Y C 2.099 177.867 175.900 -0.220 0.000 1.154 121 Y CA 2.198 60.192 58.100 -0.177 0.000 1.149 121 Y CB -0.359 37.921 38.460 -0.300 0.000 0.976 121 Y HN 0.267 nan 8.280 nan 0.000 0.505 122 Y N 0.140 120.521 120.300 0.134 0.000 2.475 122 Y HA -0.038 4.512 4.550 0.000 0.000 0.289 122 Y C 2.452 178.332 175.900 -0.033 0.000 1.121 122 Y CA 1.211 59.340 58.100 0.048 0.000 1.257 122 Y CB -0.365 38.130 38.460 0.059 0.000 1.026 122 Y HN 0.066 nan 8.280 nan 0.000 0.555 123 K N 0.232 120.687 120.400 0.092 0.000 2.032 123 K HA -0.143 4.177 4.320 0.000 0.000 0.209 123 K C 2.278 178.869 176.600 -0.016 0.000 1.048 123 K CA 1.565 57.868 56.287 0.027 0.000 0.927 123 K CB -0.655 31.853 32.500 0.014 0.000 0.712 123 K HN 0.360 nan 8.250 nan 0.000 0.441 124 G N 0.483 109.244 108.800 -0.065 0.000 2.559 124 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 124 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 124 G C 1.021 175.849 174.900 -0.121 0.000 1.126 124 G CA 0.395 45.434 45.100 -0.102 0.000 0.778 124 G HN 0.299 nan 8.290 nan 0.000 0.543 125 K N -0.475 119.855 120.400 -0.116 0.000 2.372 125 K HA 0.314 4.634 4.320 0.000 0.000 0.200 125 K C 1.496 178.100 176.600 0.008 0.000 1.022 125 K CA 0.351 56.594 56.287 -0.074 0.000 1.125 125 K CB 0.520 32.969 32.500 -0.085 0.000 0.855 125 K HN 0.251 nan 8.250 nan 0.000 0.524 126 G N 1.497 110.302 108.800 0.007 0.000 2.194 126 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 126 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 126 G C -0.004 174.909 174.900 0.022 0.000 0.987 126 G CA -0.409 44.699 45.100 0.014 0.000 0.635 126 G HN 0.068 nan 8.290 nan 0.000 0.520 127 R N 0.199 120.727 120.500 0.046 0.000 2.637 127 R HA 0.582 4.922 4.340 0.000 0.000 0.269 127 R C 0.453 176.751 176.300 -0.004 0.000 1.089 127 R CA -0.459 55.652 56.100 0.017 0.000 1.177 127 R CB 0.156 30.465 30.300 0.015 0.000 1.091 127 R HN 0.356 nan 8.270 nan 0.000 0.540 128 R N 1.625 122.105 120.500 -0.033 0.000 2.423 128 R HA 0.303 4.643 4.340 0.000 0.000 0.293 128 R C -2.220 174.043 176.300 -0.061 0.000 1.196 128 R CA -1.674 54.405 56.100 -0.036 0.000 1.262 128 R CB 1.110 31.390 30.300 -0.033 0.000 1.116 128 R HN 0.343 nan 8.270 nan 0.000 0.566 129 P HA 0.064 nan 4.420 nan 0.000 0.274 129 P C -1.070 176.190 177.300 -0.067 0.000 1.231 129 P CA -0.536 62.514 63.100 -0.084 0.000 0.790 129 P CB 0.743 32.411 31.700 -0.055 0.000 0.951 130 L N 2.901 124.075 121.223 -0.081 0.000 2.385 130 L HA 0.464 4.804 4.340 0.000 0.000 0.273 130 L C -1.414 175.423 176.870 -0.055 0.000 0.990 130 L CA -0.529 54.277 54.840 -0.058 0.000 0.821 130 L CB 1.095 43.122 42.059 -0.054 0.000 1.279 130 L HN 0.183 nan 8.230 nan 0.000 0.412 131 L N 5.342 126.543 121.223 -0.038 0.000 2.325 131 L HA 0.659 5.000 4.340 0.000 0.000 0.279 131 L C -0.768 176.084 176.870 -0.030 0.000 1.054 131 L CA -0.807 54.015 54.840 -0.031 0.000 0.804 131 L CB 1.832 43.877 42.059 -0.022 0.000 1.200 131 L HN 0.360 nan 8.230 nan 0.000 0.436 132 V N 2.537 122.432 119.914 -0.032 0.000 2.407 132 V HA 0.458 4.578 4.120 0.000 0.000 0.291 132 V C 0.173 176.239 176.094 -0.048 0.000 1.018 132 V CA -0.677 61.601 62.300 -0.037 0.000 0.842 132 V CB 1.589 33.388 31.823 -0.040 0.000 0.996 132 V HN 0.820 nan 8.190 nan 0.000 0.426 133 A N 3.818 126.614 122.820 -0.040 0.000 2.650 133 A HA 0.692 5.012 4.320 0.000 0.000 0.320 133 A C 0.990 178.545 177.584 -0.048 0.000 1.466 133 A CA 0.282 52.295 52.037 -0.041 0.000 1.099 133 A CB 0.377 19.361 19.000 -0.028 0.000 1.136 133 A HN 1.238 nan 8.150 nan 0.000 0.532 134 A N 2.021 124.798 122.820 -0.070 0.000 2.387 134 A HA 0.275 4.595 4.320 0.000 0.000 0.234 134 A C 0.518 178.063 177.584 -0.065 0.000 1.253 134 A CA 0.122 52.111 52.037 -0.081 0.000 0.894 134 A CB -0.005 18.911 19.000 -0.141 0.000 0.963 134 A HN 0.629 nan 8.150 nan 0.000 0.508 135 D N 1.117 121.487 120.400 -0.050 0.000 2.380 135 D HA 0.208 4.848 4.640 0.000 0.000 0.230 135 D C 1.000 177.286 176.300 -0.023 0.000 1.154 135 D CA 0.662 54.642 54.000 -0.033 0.000 0.859 135 D CB 0.937 41.721 40.800 -0.026 0.000 1.045 135 D HN 0.162 nan 8.370 nan 0.000 0.495 136 T N 0.223 114.766 114.554 -0.018 0.000 3.092 136 T HA 0.005 4.355 4.350 0.000 0.000 0.258 136 T C 1.181 175.877 174.700 -0.008 0.000 1.031 136 T CA 0.050 62.142 62.100 -0.013 0.000 0.925 136 T CB -0.004 68.856 68.868 -0.012 0.000 1.036 136 T HN 0.511 nan 8.240 nan 0.000 0.544 137 Q N 0.708 120.504 119.800 -0.006 0.000 2.462 137 Q HA 0.268 4.608 4.340 0.000 0.000 0.224 137 Q C 1.389 177.388 176.000 -0.001 0.000 0.911 137 Q CA -0.538 55.264 55.803 -0.002 0.000 0.925 137 Q CB 0.063 28.801 28.738 0.001 0.000 1.063 137 Q HN 0.346 nan 8.270 nan 0.000 0.572 138 R N 2.436 122.935 120.500 -0.002 0.000 2.389 138 R HA 0.251 4.591 4.340 0.000 0.000 0.295 138 R C -2.332 173.966 176.300 -0.003 0.000 1.075 138 R CA -1.736 54.364 56.100 -0.001 0.000 1.005 138 R CB 0.357 30.656 30.300 -0.001 0.000 0.987 138 R HN 0.013 nan 8.270 nan 0.000 0.452 139 P HA 0.015 nan 4.420 nan 0.000 0.264 139 P C -0.508 176.790 177.300 -0.003 0.000 1.193 139 P CA 0.704 63.803 63.100 -0.002 0.000 0.763 139 P CB 1.009 32.709 31.700 -0.001 0.000 0.810 140 A N 3.057 125.874 122.820 -0.004 0.000 2.816 140 A HA -0.244 4.076 4.320 0.000 0.000 0.270 140 A C 1.804 179.385 177.584 -0.006 0.000 1.413 140 A CA 1.276 53.311 52.037 -0.004 0.000 0.866 140 A CB -2.247 16.751 19.000 -0.003 0.000 1.032 140 A HN 0.596 nan 8.150 nan 0.000 0.642 141 A N -0.689 122.127 122.820 -0.007 0.000 1.933 141 A HA -0.085 4.235 4.320 0.000 0.000 0.218 141 A C 2.031 179.608 177.584 -0.012 0.000 1.175 141 A CA 1.809 53.841 52.037 -0.009 0.000 0.628 141 A CB -0.350 18.644 19.000 -0.011 0.000 0.814 141 A HN 0.750 nan 8.150 nan 0.000 0.444 142 R N -0.771 119.722 120.500 -0.012 0.000 2.073 142 R HA -0.086 4.254 4.340 0.000 0.000 0.229 142 R C 2.296 178.589 176.300 -0.011 0.000 1.120 142 R CA 1.322 57.414 56.100 -0.013 0.000 0.967 142 R CB -0.276 30.016 30.300 -0.013 0.000 0.862 142 R HN 0.762 nan 8.270 nan 0.000 0.436 143 E N 1.004 121.199 120.200 -0.009 0.000 2.118 143 E HA -0.289 4.062 4.350 0.000 0.000 0.195 143 E C 2.053 178.649 176.600 -0.007 0.000 0.992 143 E CA 1.271 57.666 56.400 -0.007 0.000 0.804 143 E CB 0.094 29.791 29.700 -0.005 0.000 0.741 143 E HN 0.314 nan 8.360 nan 0.000 0.458 144 Q N 0.083 119.879 119.800 -0.007 0.000 2.061 144 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 144 Q C 2.286 178.282 176.000 -0.007 0.000 0.984 144 Q CA 1.475 57.275 55.803 -0.006 0.000 0.846 144 Q CB -0.083 28.651 28.738 -0.006 0.000 0.902 144 Q HN 0.319 nan 8.270 nan 0.000 0.421 145 L N 0.833 122.050 121.223 -0.009 0.000 2.109 145 L HA -0.076 4.264 4.340 0.000 0.000 0.207 145 L C 2.430 179.295 176.870 -0.010 0.000 1.086 145 L CA 1.653 56.486 54.840 -0.010 0.000 0.760 145 L CB -0.650 41.400 42.059 -0.015 0.000 0.910 145 L HN 0.164 nan 8.230 nan 0.000 0.437 146 R N -0.771 119.723 120.500 -0.010 0.000 2.096 146 R HA -0.199 4.141 4.340 0.000 0.000 0.240 146 R C 2.256 178.552 176.300 -0.007 0.000 1.139 146 R CA 2.139 58.233 56.100 -0.009 0.000 0.952 146 R CB -0.388 29.907 30.300 -0.008 0.000 0.854 146 R HN 0.410 nan 8.270 nan 0.000 0.436 147 L N 0.241 121.460 121.223 -0.006 0.000 2.093 147 L HA -0.151 4.189 4.340 0.000 0.000 0.208 147 L C 2.370 179.238 176.870 -0.003 0.000 1.085 147 L CA 0.929 55.767 54.840 -0.004 0.000 0.755 147 L CB -0.307 41.750 42.059 -0.003 0.000 0.904 147 L HN 0.261 nan 8.230 nan 0.000 0.435 148 L N -0.541 120.680 121.223 -0.004 0.000 2.046 148 L HA -0.134 4.206 4.340 0.000 0.000 0.208 148 L C 2.678 179.547 176.870 -0.002 0.000 1.077 148 L CA 1.367 56.205 54.840 -0.002 0.000 0.747 148 L CB -1.169 40.889 42.059 -0.003 0.000 0.896 148 L HN 0.327 nan 8.230 nan 0.000 0.432 149 G N -0.596 108.201 108.800 -0.005 0.000 2.418 149 G HA2 -0.299 3.662 3.960 0.000 0.000 0.217 149 G HA3 -0.299 3.662 3.960 0.000 0.000 0.217 149 G C 1.461 176.359 174.900 -0.005 0.000 1.158 149 G CA 0.787 45.884 45.100 -0.006 0.000 0.771 149 G HN 0.429 nan 8.290 nan 0.000 0.545 150 E N 0.295 120.492 120.200 -0.005 0.000 2.058 150 E HA -0.197 4.153 4.350 0.000 0.000 0.194 150 E C 2.355 178.953 176.600 -0.003 0.000 0.997 150 E CA 1.368 57.766 56.400 -0.004 0.000 0.801 150 E CB -0.167 29.530 29.700 -0.004 0.000 0.746 150 E HN 0.436 nan 8.360 nan 0.000 0.450 151 K N 0.171 120.570 120.400 -0.001 0.000 2.074 151 K HA -0.166 4.154 4.320 0.000 0.000 0.209 151 K C 2.049 178.649 176.600 0.001 0.000 1.048 151 K CA 1.842 58.129 56.287 0.000 0.000 0.926 151 K CB -0.063 32.438 32.500 0.001 0.000 0.713 151 K HN 0.237 nan 8.250 nan 0.000 0.444 152 V N -3.340 116.574 119.914 0.001 0.000 3.608 152 V HA 0.327 4.447 4.120 0.000 0.000 0.269 152 V C 0.825 176.918 176.094 -0.000 0.000 1.245 152 V CA 0.464 62.765 62.300 0.002 0.000 1.138 152 V CB -0.168 31.659 31.823 0.006 0.000 0.841 152 V HN 0.407 nan 8.190 nan 0.000 0.451 153 G N 0.181 108.979 108.800 -0.002 0.000 2.212 153 G HA2 -0.159 3.801 3.960 0.000 0.000 0.255 153 G HA3 -0.159 3.801 3.960 0.000 0.000 0.255 153 G C -0.210 174.686 174.900 -0.006 0.000 1.062 153 G CA 0.175 45.272 45.100 -0.004 0.000 0.815 153 G HN 1.002 nan 8.290 nan 0.000 0.497 154 V N 1.622 121.532 119.914 -0.007 0.000 2.588 154 V HA 0.605 4.725 4.120 0.000 0.000 0.304 154 V C -1.584 174.503 176.094 -0.012 0.000 1.042 154 V CA -1.597 60.697 62.300 -0.010 0.000 0.877 154 V CB 2.383 34.200 31.823 -0.009 0.000 0.996 154 V HN 0.247 nan 8.190 nan 0.000 0.425 155 P HA 0.224 nan 4.420 nan 0.000 0.272 155 P C -0.992 176.297 177.300 -0.018 0.000 1.223 155 P CA -0.016 63.075 63.100 -0.015 0.000 0.784 155 P CB 1.299 32.989 31.700 -0.017 0.000 0.923 156 V N 3.807 123.711 119.914 -0.016 0.000 2.444 156 V HA 0.270 4.390 4.120 0.000 0.000 0.294 156 V C 0.359 176.442 176.094 -0.017 0.000 1.022 156 V CA -0.810 61.480 62.300 -0.017 0.000 0.850 156 V CB 1.551 33.365 31.823 -0.015 0.000 0.992 156 V HN 0.470 nan 8.190 nan 0.000 0.426 157 L N 4.611 125.822 121.223 -0.019 0.000 2.290 157 L HA 0.516 4.856 4.340 0.000 0.000 0.284 157 L C 0.119 176.977 176.870 -0.019 0.000 1.078 157 L CA 0.059 54.888 54.840 -0.018 0.000 0.815 157 L CB 0.860 42.908 42.059 -0.017 0.000 1.162 157 L HN 0.677 nan 8.230 nan 0.000 0.435 158 E N 4.133 124.323 120.200 -0.017 0.000 2.113 158 E HA 0.275 4.625 4.350 0.000 0.000 0.273 158 E C -0.763 175.827 176.600 -0.016 0.000 0.924 158 E CA -0.792 55.598 56.400 -0.017 0.000 0.764 158 E CB 2.060 31.752 29.700 -0.014 0.000 1.104 158 E HN 0.412 nan 8.360 nan 0.000 0.406 159 V N 4.374 124.276 119.914 -0.020 0.000 2.872 159 V HA 0.011 4.131 4.120 0.000 0.000 0.307 159 V C 0.543 176.629 176.094 -0.014 0.000 1.072 159 V CA 0.456 62.746 62.300 -0.018 0.000 1.148 159 V CB 0.486 32.294 31.823 -0.025 0.000 0.954 159 V HN 0.699 nan 8.190 nan 0.000 0.490 160 M N 2.525 122.119 119.600 -0.010 0.000 2.342 160 M HA 0.334 4.814 4.480 0.000 0.000 0.332 160 M C -0.194 176.102 176.300 -0.007 0.000 1.166 160 M CA -0.760 54.536 55.300 -0.007 0.000 1.086 160 M CB 0.769 33.366 32.600 -0.005 0.000 1.541 160 M HN 0.534 nan 8.290 nan 0.000 0.462 161 D N 1.640 122.036 120.400 -0.006 0.000 2.487 161 D HA 0.173 4.813 4.640 0.000 0.000 0.243 161 D C 1.132 177.430 176.300 -0.003 0.000 1.154 161 D CA 1.404 55.401 54.000 -0.005 0.000 0.876 161 D CB 0.486 41.283 40.800 -0.004 0.000 1.161 161 D HN 0.899 nan 8.370 nan 0.000 0.478 162 G N 2.441 111.240 108.800 -0.002 0.000 2.179 162 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 162 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 162 G C 0.368 175.269 174.900 0.000 0.000 0.977 162 G CA 0.332 45.431 45.100 -0.001 0.000 0.641 162 G HN 0.613 nan 8.290 nan 0.000 0.533 163 E N 1.547 121.747 120.200 -0.001 0.000 2.290 163 E HA 0.491 4.841 4.350 0.000 0.000 0.277 163 E C 1.181 177.784 176.600 0.004 0.000 1.035 163 E CA 0.173 56.573 56.400 0.001 0.000 0.873 163 E CB 0.375 30.075 29.700 -0.001 0.000 1.029 163 E HN 0.547 nan 8.360 nan 0.000 0.419 164 S N 3.802 119.506 115.700 0.007 0.000 2.584 164 S HA 0.113 4.583 4.470 0.000 0.000 0.270 164 S C -1.841 172.769 174.600 0.016 0.000 1.346 164 S CA -1.095 57.112 58.200 0.011 0.000 1.018 164 S CB 1.092 64.299 63.200 0.012 0.000 0.899 164 S HN 0.439 nan 8.310 nan 0.000 0.542 165 P HA -0.080 nan 4.420 nan 0.000 0.218 165 P C 1.388 178.710 177.300 0.036 0.000 1.148 165 P CA 1.227 64.349 63.100 0.036 0.000 0.822 165 P CB 0.047 31.777 31.700 0.051 0.000 0.784 166 E N -0.357 119.861 120.200 0.029 0.000 2.110 166 E HA -0.157 4.193 4.350 0.000 0.000 0.193 166 E C 2.178 178.790 176.600 0.020 0.000 0.988 166 E CA 1.508 57.923 56.400 0.025 0.000 0.804 166 E CB -0.978 28.734 29.700 0.020 0.000 0.745 166 E HN 0.016 nan 8.360 nan 0.000 0.458 167 S N -0.684 115.025 115.700 0.016 0.000 2.368 167 S HA -0.110 4.360 4.470 0.000 0.000 0.225 167 S C 1.950 176.558 174.600 0.012 0.000 1.030 167 S CA 1.278 59.484 58.200 0.011 0.000 0.999 167 S CB -0.377 62.827 63.200 0.008 0.000 0.844 167 S HN 0.381 nan 8.310 nan 0.000 0.459 168 I N 1.412 121.991 120.570 0.015 0.000 2.163 168 I HA -0.188 3.982 4.170 0.000 0.000 0.243 168 I C 2.835 178.965 176.117 0.022 0.000 1.085 168 I CA 1.577 62.885 61.300 0.014 0.000 1.347 168 I CB -0.438 37.570 38.000 0.013 0.000 1.044 168 I HN 0.326 nan 8.210 nan 0.000 0.408 169 R N 0.899 121.419 120.500 0.034 0.000 2.096 169 R HA -0.213 4.127 4.340 0.000 0.000 0.240 169 R C 2.441 178.756 176.300 0.025 0.000 1.139 169 R CA 1.650 57.773 56.100 0.039 0.000 0.952 169 R CB -0.077 30.248 30.300 0.042 0.000 0.854 169 R HN 0.212 nan 8.270 nan 0.000 0.436 170 R N 0.268 120.779 120.500 0.018 0.000 2.115 170 R HA -0.004 4.336 4.340 0.000 0.000 0.226 170 R C 2.270 178.574 176.300 0.007 0.000 1.100 170 R CA 0.989 57.096 56.100 0.011 0.000 0.980 170 R CB -0.531 29.775 30.300 0.009 0.000 0.875 170 R HN 0.356 nan 8.270 nan 0.000 0.445 171 R N 0.270 120.774 120.500 0.006 0.000 2.075 171 R HA -0.024 4.316 4.340 0.000 0.000 0.232 171 R C 2.284 178.584 176.300 0.000 0.000 1.126 171 R CA 1.142 57.243 56.100 0.002 0.000 0.963 171 R CB -0.476 29.824 30.300 0.000 0.000 0.858 171 R HN -0.003 nan 8.270 nan 0.000 0.435 172 V N 1.493 121.410 119.914 0.004 0.000 2.261 172 V HA -0.252 3.868 4.120 0.000 0.000 0.246 172 V C 2.097 178.191 176.094 -0.001 0.000 1.047 172 V CA 1.871 64.173 62.300 0.003 0.000 1.015 172 V CB -0.461 31.370 31.823 0.015 0.000 0.642 172 V HN 0.354 nan 8.190 nan 0.000 0.446 173 E N -0.355 119.847 120.200 0.004 0.000 2.058 173 E HA -0.296 4.055 4.350 0.000 0.000 0.194 173 E C 2.260 178.858 176.600 -0.004 0.000 0.997 173 E CA 1.584 57.984 56.400 0.000 0.000 0.801 173 E CB -0.162 29.541 29.700 0.005 0.000 0.746 173 E HN 0.530 nan 8.360 nan 0.000 0.450 174 E N 1.281 121.480 120.200 -0.002 0.000 2.038 174 E HA -0.218 4.132 4.350 0.000 0.000 0.195 174 E C 1.865 178.460 176.600 -0.008 0.000 1.000 174 E CA 1.545 57.943 56.400 -0.004 0.000 0.803 174 E CB -0.052 29.646 29.700 -0.003 0.000 0.750 174 E HN 0.048 nan 8.360 nan 0.000 0.448 175 K N -0.554 119.841 120.400 -0.009 0.000 2.026 175 K HA -0.118 4.202 4.320 0.000 0.000 0.208 175 K C 2.029 178.619 176.600 -0.017 0.000 1.048 175 K CA 1.367 57.647 56.287 -0.012 0.000 0.929 175 K CB -0.323 32.169 32.500 -0.013 0.000 0.713 175 K HN 0.174 nan 8.250 nan 0.000 0.439 176 A N 1.070 123.879 122.820 -0.019 0.000 1.908 176 A HA -0.214 4.106 4.320 0.000 0.000 0.218 176 A C 2.117 179.687 177.584 -0.022 0.000 1.181 176 A CA 1.875 53.896 52.037 -0.026 0.000 0.627 176 A CB -0.548 18.434 19.000 -0.029 0.000 0.818 176 A HN 0.348 nan 8.150 nan 0.000 0.445 177 R N -0.740 119.750 120.500 -0.017 0.000 2.062 177 R HA -0.077 4.263 4.340 0.000 0.000 0.231 177 R C 2.039 178.331 176.300 -0.013 0.000 1.136 177 R CA 1.546 57.638 56.100 -0.014 0.000 0.948 177 R CB -0.645 29.649 30.300 -0.010 0.000 0.845 177 R HN 0.421 nan 8.270 nan 0.000 0.430 178 L N 1.365 122.581 121.223 -0.011 0.000 2.051 178 L HA -0.189 4.151 4.340 0.000 0.000 0.214 178 L C 0.802 177.665 176.870 -0.012 0.000 1.076 178 L CA 2.058 56.892 54.840 -0.010 0.000 0.758 178 L CB -0.308 41.745 42.059 -0.009 0.000 0.890 178 L HN 0.358 nan 8.230 nan 0.000 0.433 179 E N -0.517 119.674 120.200 -0.015 0.000 2.501 179 E HA 0.381 4.731 4.350 0.000 0.000 0.200 179 E C 0.760 177.348 176.600 -0.019 0.000 1.016 179 E CA 0.351 56.741 56.400 -0.016 0.000 0.921 179 E CB 0.127 29.816 29.700 -0.018 0.000 1.034 179 E HN 0.468 nan 8.360 nan 0.000 0.468 180 A N 2.435 125.244 122.820 -0.020 0.000 2.610 180 A HA -0.261 4.059 4.320 0.000 0.000 0.299 180 A C -0.100 177.466 177.584 -0.030 0.000 1.487 180 A CA 0.868 52.892 52.037 -0.022 0.000 0.743 180 A CB -1.604 17.385 19.000 -0.018 0.000 1.070 180 A HN 0.272 nan 8.150 nan 0.000 0.439 181 R N -0.365 120.113 120.500 -0.037 0.000 2.346 181 R HA 0.454 4.794 4.340 0.000 0.000 0.311 181 R C 0.220 176.478 176.300 -0.069 0.000 0.983 181 R CA -0.019 56.050 56.100 -0.052 0.000 0.880 181 R CB 0.840 31.109 30.300 -0.051 0.000 1.100 181 R HN 0.573 nan 8.270 nan 0.000 0.453 182 D N 1.299 121.645 120.400 -0.090 0.000 2.474 182 D HA 0.042 4.682 4.640 0.000 0.000 0.213 182 D C -0.055 176.132 176.300 -0.189 0.000 1.120 182 D CA -0.149 53.784 54.000 -0.111 0.000 0.836 182 D CB 0.386 41.134 40.800 -0.087 0.000 1.019 182 D HN 0.146 nan 8.370 nan 0.000 0.507 183 L N 1.194 122.278 121.223 -0.232 0.000 2.415 183 L HA 0.499 4.839 4.340 0.000 0.000 0.268 183 L C -1.677 174.999 176.870 -0.324 0.000 0.984 183 L CA -0.821 53.782 54.840 -0.396 0.000 0.853 183 L CB 1.343 43.094 42.059 -0.513 0.000 1.215 183 L HN -0.044 nan 8.230 nan 0.000 0.419 184 I N 6.022 126.405 120.570 -0.310 0.000 2.339 184 I HA 0.384 4.554 4.170 0.000 0.000 0.290 184 I C -0.778 175.252 176.117 -0.145 0.000 0.994 184 I CA -0.402 60.796 61.300 -0.170 0.000 1.191 184 I CB 1.374 39.324 38.000 -0.085 0.000 1.343 184 I HN 0.433 nan 8.210 nan 0.000 0.458 185 L N 7.344 128.517 121.223 -0.084 0.000 2.316 185 L HA 0.482 4.822 4.340 0.000 0.000 0.280 185 L C -0.624 176.259 176.870 0.021 0.000 1.006 185 L CA -0.760 54.079 54.840 -0.001 0.000 0.836 185 L CB 1.491 43.542 42.059 -0.013 0.000 1.221 185 L HN 0.278 nan 8.230 nan 0.000 0.418 186 V N 1.469 121.419 119.914 0.060 0.000 2.333 186 V HA 0.184 4.304 4.120 0.000 0.000 0.274 186 V C -0.216 175.813 176.094 -0.109 0.000 1.028 186 V CA -0.460 61.800 62.300 -0.066 0.000 0.851 186 V CB 1.455 33.159 31.823 -0.199 0.000 1.000 186 V HN 0.605 nan 8.190 nan 0.000 0.456 187 D N 4.326 124.669 120.400 -0.095 0.000 2.313 187 D HA 0.395 5.035 4.640 0.000 0.000 0.239 187 D C 0.373 176.604 176.300 -0.114 0.000 1.142 187 D CA -0.009 53.947 54.000 -0.073 0.000 0.847 187 D CB 1.288 42.062 40.800 -0.043 0.000 1.082 187 D HN 0.703 nan 8.370 nan 0.000 0.480 188 T N 0.630 115.117 114.554 -0.110 0.000 2.952 188 T HA 0.751 5.101 4.350 0.000 0.000 0.286 188 T C 0.362 175.039 174.700 -0.038 0.000 1.024 188 T CA -0.955 61.082 62.100 -0.105 0.000 1.029 188 T CB 1.426 70.222 68.868 -0.120 0.000 1.094 188 T HN 0.418 nan 8.240 nan 0.000 0.515 189 A N 0.973 123.781 122.820 -0.021 0.000 2.483 189 A HA 0.563 4.883 4.320 0.000 0.000 0.238 189 A C 1.051 178.656 177.584 0.034 0.000 1.070 189 A CA -0.092 51.947 52.037 0.004 0.000 0.770 189 A CB -0.766 18.238 19.000 0.007 0.000 1.008 189 A HN 1.327 nan 8.150 nan 0.000 0.497 190 G N 0.745 109.565 108.800 0.033 0.000 2.441 190 G HA2 0.490 4.450 3.960 0.000 0.000 0.243 190 G HA3 0.490 4.450 3.960 0.000 0.000 0.243 190 G C 0.123 175.074 174.900 0.086 0.000 1.281 190 G CA -0.196 44.938 45.100 0.057 0.000 0.854 190 G HN 1.157 nan 8.290 nan 0.000 0.560 191 R N 1.419 122.008 120.500 0.149 0.000 2.643 191 R HA 0.416 4.756 4.340 0.000 0.000 0.269 191 R C -1.203 175.198 176.300 0.169 0.000 1.037 191 R CA -1.056 55.125 56.100 0.134 0.000 0.894 191 R CB 0.983 31.356 30.300 0.121 0.000 1.238 191 R HN 0.358 nan 8.270 nan 0.000 0.459 192 L N 2.777 124.051 121.223 0.084 0.000 2.439 192 L HA 0.083 4.423 4.340 0.000 0.000 0.269 192 L C 1.859 178.722 176.870 -0.012 0.000 1.179 192 L CA -0.556 54.325 54.840 0.070 0.000 0.828 192 L CB 1.038 43.115 42.059 0.030 0.000 1.106 192 L HN 0.802 nan 8.230 nan 0.000 0.467 193 Q N 3.982 123.772 119.800 -0.016 0.000 2.437 193 Q HA -0.137 4.204 4.340 0.000 0.000 0.210 193 Q C 1.116 177.011 176.000 -0.174 0.000 0.972 193 Q CA 1.570 57.230 55.803 -0.237 0.000 0.903 193 Q CB -0.238 28.442 28.738 -0.097 0.000 0.967 193 Q HN 0.883 nan 8.270 nan 0.000 0.486 194 I N -2.613 117.907 120.570 -0.084 0.000 4.018 194 I HA 0.308 4.478 4.170 0.000 0.000 0.337 194 I C 0.216 176.301 176.117 -0.054 0.000 1.327 194 I CA -0.434 60.829 61.300 -0.061 0.000 1.100 194 I CB 0.283 38.266 38.000 -0.029 0.000 1.025 194 I HN -0.230 nan 8.210 nan 0.000 0.396 195 D N 2.828 123.193 120.400 -0.059 0.000 2.435 195 D HA 0.019 4.659 4.640 0.000 0.000 0.230 195 D C 1.048 177.316 176.300 -0.053 0.000 1.215 195 D CA 0.190 54.166 54.000 -0.041 0.000 0.947 195 D CB 0.804 41.589 40.800 -0.025 0.000 1.048 195 D HN 0.196 nan 8.370 nan 0.000 0.512 196 E N 3.163 123.336 120.200 -0.045 0.000 2.051 196 E HA -0.115 4.235 4.350 0.000 0.000 0.192 196 E C -0.783 175.796 176.600 -0.035 0.000 0.991 196 E CA 0.965 57.337 56.400 -0.045 0.000 0.799 196 E CB -1.287 28.392 29.700 -0.035 0.000 0.748 196 E HN 0.518 nan 8.360 nan 0.000 0.449 197 P HA -0.124 nan 4.420 nan 0.000 0.216 197 P C 1.651 178.943 177.300 -0.013 0.000 1.153 197 P CA 1.086 64.178 63.100 -0.015 0.000 0.858 197 P CB -0.069 31.625 31.700 -0.009 0.000 0.789 198 L N -2.463 118.750 121.223 -0.017 0.000 2.270 198 L HA -0.042 4.298 4.340 0.000 0.000 0.210 198 L C 2.332 179.191 176.870 -0.020 0.000 1.104 198 L CA 0.773 55.608 54.840 -0.009 0.000 0.804 198 L CB -0.597 41.462 42.059 -0.000 0.000 0.937 198 L HN -0.033 nan 8.230 nan 0.000 0.450 199 M N -0.340 119.224 119.600 -0.059 0.000 2.175 199 M HA -0.071 4.409 4.480 0.000 0.000 0.264 199 M C 2.331 178.605 176.300 -0.043 0.000 1.063 199 M CA 1.652 56.894 55.300 -0.096 0.000 1.119 199 M CB -1.668 30.833 32.600 -0.165 0.000 1.377 199 M HN 0.254 nan 8.290 nan 0.000 0.415 200 G N -0.538 108.246 108.800 -0.028 0.000 2.404 200 G HA2 -0.223 3.737 3.960 0.000 0.000 0.215 200 G HA3 -0.223 3.737 3.960 0.000 0.000 0.215 200 G C 1.514 176.422 174.900 0.013 0.000 1.174 200 G CA 0.858 45.953 45.100 -0.008 0.000 0.780 200 G HN 0.526 nan 8.290 nan 0.000 0.537 201 E N -0.352 119.856 120.200 0.014 0.000 2.070 201 E HA -0.173 4.177 4.350 0.000 0.000 0.197 201 E C 2.369 179.001 176.600 0.054 0.000 1.004 201 E CA 1.133 57.549 56.400 0.028 0.000 0.805 201 E CB -0.204 29.508 29.700 0.019 0.000 0.744 201 E HN 0.313 nan 8.360 nan 0.000 0.451 202 L N 0.522 121.783 121.223 0.063 0.000 2.056 202 L HA -0.061 4.279 4.340 0.000 0.000 0.207 202 L C 2.175 179.144 176.870 0.164 0.000 1.078 202 L CA 2.154 57.068 54.840 0.123 0.000 0.749 202 L CB -0.689 41.453 42.059 0.138 0.000 0.901 202 L HN 0.162 nan 8.230 nan 0.000 0.433 203 A N -0.466 122.411 122.820 0.096 0.000 1.933 203 A HA -0.191 4.129 4.320 0.000 0.000 0.218 203 A C 2.425 180.056 177.584 0.078 0.000 1.175 203 A CA 1.621 53.704 52.037 0.077 0.000 0.628 203 A CB -0.518 18.501 19.000 0.031 0.000 0.814 203 A HN 0.498 nan 8.150 nan 0.000 0.444 204 R N -1.301 119.241 120.500 0.070 0.000 2.092 204 R HA -0.074 4.266 4.340 0.000 0.000 0.231 204 R C 2.072 178.430 176.300 0.097 0.000 1.119 204 R CA 1.310 57.448 56.100 0.064 0.000 0.970 204 R CB -0.508 29.820 30.300 0.046 0.000 0.864 204 R HN 0.477 nan 8.270 nan 0.000 0.440 205 L N 1.752 123.062 121.223 0.144 0.000 2.046 205 L HA -0.184 4.156 4.340 0.000 0.000 0.208 205 L C 2.328 179.404 176.870 0.343 0.000 1.077 205 L CA 1.802 56.776 54.840 0.224 0.000 0.747 205 L CB -0.351 41.832 42.059 0.207 0.000 0.896 205 L HN 0.005 nan 8.230 nan 0.000 0.432 206 K N -0.423 120.162 120.400 0.310 0.000 2.057 206 K HA -0.222 4.098 4.320 0.000 0.000 0.207 206 K C 1.913 178.499 176.600 -0.023 0.000 1.049 206 K CA 1.861 58.153 56.287 0.009 0.000 0.931 206 K CB -0.092 32.362 32.500 -0.076 0.000 0.714 206 K HN 0.476 nan 8.250 nan 0.000 0.440 207 E N 0.003 120.220 120.200 0.027 0.000 2.085 207 E HA -0.171 4.179 4.350 0.000 0.000 0.194 207 E C 1.964 178.578 176.600 0.023 0.000 0.994 207 E CA 1.554 57.961 56.400 0.012 0.000 0.801 207 E CB 0.085 29.798 29.700 0.021 0.000 0.743 207 E HN 0.118 nan 8.360 nan 0.000 0.453 208 V N 0.926 120.873 119.914 0.055 0.000 2.346 208 V HA -0.167 3.953 4.120 0.000 0.000 0.244 208 V C 2.177 178.311 176.094 0.065 0.000 1.037 208 V CA 1.233 63.567 62.300 0.057 0.000 1.029 208 V CB -0.304 31.558 31.823 0.065 0.000 0.663 208 V HN 0.248 nan 8.190 nan 0.000 0.454 209 L N 0.498 121.788 121.223 0.111 0.000 2.341 209 L HA 0.231 4.571 4.340 0.000 0.000 0.214 209 L C 1.587 178.481 176.870 0.041 0.000 1.115 209 L CA 0.864 55.780 54.840 0.126 0.000 0.820 209 L CB -0.782 41.462 42.059 0.307 0.000 0.944 209 L HN 0.602 nan 8.230 nan 0.000 0.452 210 G N 1.922 110.700 108.800 -0.036 0.000 2.372 210 G HA2 -0.203 3.757 3.960 0.000 0.000 0.297 210 G HA3 -0.203 3.757 3.960 0.000 0.000 0.297 210 G C -2.086 172.748 174.900 -0.108 0.000 1.005 210 G CA -0.445 44.607 45.100 -0.080 0.000 1.173 210 G HN 0.211 nan 8.290 nan 0.000 0.511 211 P HA 0.203 nan 4.420 nan 0.000 0.272 211 P C 0.612 177.866 177.300 -0.076 0.000 1.223 211 P CA 0.036 63.031 63.100 -0.175 0.000 0.784 211 P CB 0.783 32.184 31.700 -0.500 0.000 0.923 212 D N 0.233 120.672 120.400 0.064 0.000 2.348 212 D HA 0.005 4.645 4.640 0.000 0.000 0.211 212 D C -0.161 176.159 176.300 0.034 0.000 0.998 212 D CA 0.535 54.576 54.000 0.068 0.000 0.873 212 D CB 0.547 41.416 40.800 0.115 0.000 0.925 212 D HN 0.301 nan 8.370 nan 0.000 0.524 213 E N 0.509 120.729 120.200 0.033 0.000 2.314 213 E HA 0.415 4.766 4.350 0.000 0.000 0.272 213 E C -1.154 175.413 176.600 -0.055 0.000 0.884 213 E CA -0.932 55.371 56.400 -0.161 0.000 0.753 213 E CB 3.277 32.534 29.700 -0.738 0.000 1.213 213 E HN -0.132 nan 8.360 nan 0.000 0.432 214 V N 3.692 123.580 119.914 -0.044 0.000 2.380 214 V HA 0.332 4.452 4.120 0.000 0.000 0.286 214 V C -0.313 175.802 176.094 0.034 0.000 1.015 214 V CA -0.571 61.753 62.300 0.040 0.000 0.834 214 V CB 0.989 32.826 31.823 0.024 0.000 1.009 214 V HN 0.453 nan 8.190 nan 0.000 0.428 215 L N 5.529 126.788 121.223 0.060 0.000 2.257 215 L HA 0.493 4.833 4.340 0.000 0.000 0.290 215 L C -0.246 176.617 176.870 -0.011 0.000 1.044 215 L CA -0.640 54.216 54.840 0.028 0.000 0.810 215 L CB 1.436 43.529 42.059 0.056 0.000 1.193 215 L HN 0.470 nan 8.230 nan 0.000 0.425 216 L N 5.386 126.567 121.223 -0.071 0.000 2.369 216 L HA 0.246 4.586 4.340 0.000 0.000 0.279 216 L C -0.219 176.565 176.870 -0.143 0.000 1.108 216 L CA 0.210 54.948 54.840 -0.170 0.000 0.852 216 L CB 1.049 42.983 42.059 -0.207 0.000 1.169 216 L HN 0.278 nan 8.230 nan 0.000 0.452 217 V N 6.988 126.812 119.914 -0.151 0.000 2.368 217 V HA 0.280 4.400 4.120 0.000 0.000 0.266 217 V C -0.058 175.960 176.094 -0.126 0.000 1.045 217 V CA -0.439 61.800 62.300 -0.102 0.000 0.899 217 V CB 0.977 32.758 31.823 -0.070 0.000 1.006 217 V HN 0.584 nan 8.190 nan 0.000 0.470 218 L N 4.779 125.938 121.223 -0.106 0.000 2.313 218 L HA 0.569 4.909 4.340 0.000 0.000 0.283 218 L C -0.134 176.697 176.870 -0.065 0.000 1.013 218 L CA -0.109 54.672 54.840 -0.098 0.000 0.816 218 L CB 1.590 43.583 42.059 -0.111 0.000 1.236 218 L HN 0.621 nan 8.230 nan 0.000 0.419 219 D N 3.462 123.833 120.400 -0.049 0.000 2.390 219 D HA 0.160 4.800 4.640 0.000 0.000 0.249 219 D C 0.883 177.169 176.300 -0.024 0.000 1.144 219 D CA 0.505 54.488 54.000 -0.028 0.000 0.880 219 D CB 2.007 42.794 40.800 -0.021 0.000 1.182 219 D HN 0.730 nan 8.370 nan 0.000 0.451 220 A N 4.385 127.197 122.820 -0.012 0.000 2.070 220 A HA -0.176 4.144 4.320 0.000 0.000 0.220 220 A C 2.056 179.637 177.584 -0.005 0.000 1.159 220 A CA 1.481 53.515 52.037 -0.005 0.000 0.656 220 A CB -0.677 18.332 19.000 0.015 0.000 0.800 220 A HN 0.803 nan 8.150 nan 0.000 0.453 221 M N -1.637 117.960 119.600 -0.004 0.000 2.618 221 M HA 0.114 4.594 4.480 0.000 0.000 0.240 221 M C -0.007 176.289 176.300 -0.007 0.000 1.123 221 M CA 0.472 55.770 55.300 -0.003 0.000 1.060 221 M CB -0.781 31.820 32.600 0.000 0.000 1.535 221 M HN 0.035 nan 8.290 nan 0.000 0.507 222 T N 2.256 116.803 114.554 -0.012 0.000 2.934 222 T HA 0.318 4.668 4.350 0.000 0.000 0.306 222 T C 0.905 175.598 174.700 -0.012 0.000 1.042 222 T CA 0.377 62.470 62.100 -0.012 0.000 1.145 222 T CB 0.987 69.843 68.868 -0.020 0.000 0.982 222 T HN 0.552 nan 8.240 nan 0.000 0.544 223 G N 1.213 110.009 108.800 -0.007 0.000 2.829 223 G HA2 0.128 4.088 3.960 0.000 0.000 0.173 223 G HA3 0.128 4.088 3.960 0.000 0.000 0.173 223 G C 0.915 175.809 174.900 -0.010 0.000 1.476 223 G CA -0.347 44.748 45.100 -0.008 0.000 1.072 223 G HN 0.559 nan 8.290 nan 0.000 0.577 224 Q N -0.175 119.620 119.800 -0.008 0.000 2.226 224 Q HA -0.068 4.272 4.340 0.000 0.000 0.204 224 Q C 2.091 178.088 176.000 -0.004 0.000 0.975 224 Q CA 0.799 56.596 55.803 -0.010 0.000 0.866 224 Q CB -0.067 28.667 28.738 -0.008 0.000 0.915 224 Q HN 0.497 nan 8.270 nan 0.000 0.440 225 E N 0.286 120.488 120.200 0.003 0.000 2.516 225 E HA -0.014 4.336 4.350 0.000 0.000 0.199 225 E C 1.681 178.292 176.600 0.018 0.000 1.069 225 E CA 0.492 56.900 56.400 0.013 0.000 0.876 225 E CB -0.048 29.663 29.700 0.019 0.000 0.843 225 E HN 0.280 nan 8.360 nan 0.000 0.530 226 A N 1.171 123.994 122.820 0.006 0.000 1.917 226 A HA -0.216 4.104 4.320 0.000 0.000 0.219 226 A C 2.223 179.815 177.584 0.014 0.000 1.182 226 A CA 1.429 53.467 52.037 0.002 0.000 0.633 226 A CB -0.573 18.416 19.000 -0.017 0.000 0.819 226 A HN 0.313 nan 8.150 nan 0.000 0.448 227 L N -0.122 121.108 121.223 0.012 0.000 2.017 227 L HA -0.132 4.208 4.340 0.000 0.000 0.208 227 L C 2.642 179.536 176.870 0.040 0.000 1.073 227 L CA 2.764 57.619 54.840 0.025 0.000 0.745 227 L CB -0.678 41.391 42.059 0.016 0.000 0.894 227 L HN 0.372 nan 8.230 nan 0.000 0.432 228 S N -1.553 114.169 115.700 0.037 0.000 2.402 228 S HA -0.127 4.343 4.470 0.000 0.000 0.229 228 S C 1.899 176.541 174.600 0.069 0.000 1.021 228 S CA 1.394 59.619 58.200 0.042 0.000 0.974 228 S CB -0.420 62.798 63.200 0.031 0.000 0.800 228 S HN 0.312 nan 8.310 nan 0.000 0.484 229 V N 1.966 121.935 119.914 0.091 0.000 2.323 229 V HA -0.023 4.097 4.120 0.000 0.000 0.244 229 V C 2.991 179.228 176.094 0.238 0.000 1.041 229 V CA 1.644 64.050 62.300 0.176 0.000 1.025 229 V CB -1.370 30.543 31.823 0.151 0.000 0.656 229 V HN 0.617 nan 8.190 nan 0.000 0.451 230 A N -0.042 122.854 122.820 0.127 0.000 1.902 230 A HA -0.248 4.072 4.320 0.000 0.000 0.217 230 A C 2.424 180.076 177.584 0.113 0.000 1.181 230 A CA 2.019 54.116 52.037 0.100 0.000 0.623 230 A CB -0.581 18.436 19.000 0.030 0.000 0.818 230 A HN 0.448 nan 8.150 nan 0.000 0.443 231 R N -0.371 120.179 120.500 0.084 0.000 2.073 231 R HA -0.114 4.226 4.340 0.000 0.000 0.234 231 R C 2.340 178.676 176.300 0.059 0.000 1.134 231 R CA 1.503 57.639 56.100 0.060 0.000 0.952 231 R CB -0.430 29.896 30.300 0.043 0.000 0.850 231 R HN 0.442 nan 8.270 nan 0.000 0.433 232 A N 0.372 123.228 122.820 0.058 0.000 1.877 232 A HA -0.150 4.170 4.320 0.000 0.000 0.216 232 A C 2.015 179.572 177.584 -0.046 0.000 1.186 232 A CA 1.233 53.261 52.037 -0.014 0.000 0.620 232 A CB -0.784 18.179 19.000 -0.061 0.000 0.822 232 A HN 0.371 nan 8.150 nan 0.000 0.443 233 F N 0.198 120.151 119.950 0.004 0.000 2.126 233 F HA -0.194 4.333 4.527 0.000 0.000 0.299 233 F C 2.228 178.030 175.800 0.004 0.000 1.096 233 F CA 1.925 59.931 58.000 0.010 0.000 1.255 233 F CB -0.297 38.710 39.000 0.011 0.000 0.997 233 F HN 0.288 nan 8.300 nan 0.000 0.479 234 D N 0.069 120.571 120.400 0.171 0.000 2.097 234 D HA -0.157 4.483 4.640 0.000 0.000 0.195 234 D C 2.008 178.333 176.300 0.041 0.000 0.989 234 D CA 1.479 55.530 54.000 0.084 0.000 0.827 234 D CB -0.115 40.715 40.800 0.051 0.000 0.966 234 D HN 0.341 nan 8.370 nan 0.000 0.456 235 E N -0.274 119.941 120.200 0.023 0.000 2.072 235 E HA -0.105 4.245 4.350 0.000 0.000 0.190 235 E C 2.090 178.683 176.600 -0.011 0.000 0.982 235 E CA 0.781 57.182 56.400 0.001 0.000 0.803 235 E CB 0.104 29.799 29.700 -0.007 0.000 0.755 235 E HN 0.253 nan 8.360 nan 0.000 0.453 236 K N -0.100 120.283 120.400 -0.028 0.000 2.243 236 K HA 0.019 4.339 4.320 0.000 0.000 0.201 236 K C 1.633 178.222 176.600 -0.018 0.000 1.051 236 K CA 0.583 56.842 56.287 -0.046 0.000 0.970 236 K CB 0.728 33.164 32.500 -0.107 0.000 0.755 236 K HN -0.035 nan 8.250 nan 0.000 0.465 237 V N -1.246 118.677 119.914 0.015 0.000 3.159 237 V HA 0.250 4.370 4.120 0.000 0.000 0.234 237 V C 0.306 176.426 176.094 0.044 0.000 1.313 237 V CA 0.177 62.508 62.300 0.052 0.000 1.271 237 V CB 1.115 33.015 31.823 0.128 0.000 1.053 237 V HN 0.333 nan 8.190 nan 0.000 0.476 238 G N 1.361 110.194 108.800 0.055 0.000 3.035 238 G HA2 -0.050 3.910 3.960 0.000 0.000 0.674 238 G HA3 -0.050 3.910 3.960 0.000 0.000 0.674 238 G C -0.795 174.124 174.900 0.031 0.000 1.159 238 G CA -0.283 44.833 45.100 0.027 0.000 1.098 238 G HN 0.316 nan 8.290 nan 0.000 0.473 239 V N 2.285 122.220 119.914 0.036 0.000 2.567 239 V HA 0.718 4.838 4.120 0.000 0.000 0.289 239 V C 1.546 177.628 176.094 -0.021 0.000 1.049 239 V CA 0.651 62.961 62.300 0.018 0.000 0.969 239 V CB 1.611 33.447 31.823 0.022 0.000 0.995 239 V HN 1.267 nan 8.190 nan 0.000 0.471 240 T N -0.255 114.280 114.554 -0.032 0.000 2.975 240 T HA 0.503 4.853 4.350 0.000 0.000 0.257 240 T C 0.530 175.187 174.700 -0.071 0.000 1.003 240 T CA 0.417 62.492 62.100 -0.042 0.000 0.932 240 T CB 0.589 69.440 68.868 -0.028 0.000 1.087 240 T HN 1.090 nan 8.240 nan 0.000 0.512 241 G N 0.496 109.244 108.800 -0.087 0.000 2.506 241 G HA2 0.578 4.538 3.960 0.000 0.000 0.292 241 G HA3 0.578 4.538 3.960 0.000 0.000 0.292 241 G C -2.420 172.388 174.900 -0.153 0.000 1.425 241 G CA -1.002 43.961 45.100 -0.228 0.000 0.788 241 G HN 0.287 nan 8.290 nan 0.000 0.490 242 L N -0.679 120.409 121.223 -0.224 0.000 2.371 242 L HA 0.796 5.136 4.340 0.000 0.000 0.262 242 L C -0.433 176.384 176.870 -0.088 0.000 1.006 242 L CA -1.089 53.655 54.840 -0.161 0.000 0.818 242 L CB 2.515 44.432 42.059 -0.237 0.000 1.354 242 L HN 0.393 nan 8.230 nan 0.000 0.415 243 V N 2.440 122.323 119.914 -0.051 0.000 2.531 243 V HA 0.440 4.560 4.120 0.000 0.000 0.301 243 V C -0.861 175.195 176.094 -0.062 0.000 1.034 243 V CA -0.523 61.780 62.300 0.005 0.000 0.865 243 V CB 2.007 33.877 31.823 0.078 0.000 0.995 243 V HN 0.448 nan 8.190 nan 0.000 0.424 244 L N 5.814 126.992 121.223 -0.075 0.000 2.262 244 L HA 0.675 5.015 4.340 0.000 0.000 0.288 244 L C 0.566 177.438 176.870 0.003 0.000 1.035 244 L CA 0.529 55.327 54.840 -0.070 0.000 0.820 244 L CB 1.404 43.390 42.059 -0.122 0.000 1.204 244 L HN 0.941 nan 8.230 nan 0.000 0.424 245 T N 0.592 115.144 114.554 -0.004 0.000 2.948 245 T HA 0.498 4.848 4.350 0.000 0.000 0.285 245 T C 0.170 174.881 174.700 0.018 0.000 1.019 245 T CA -0.653 61.455 62.100 0.013 0.000 1.013 245 T CB 1.101 69.970 68.868 0.001 0.000 1.117 245 T HN 0.593 nan 8.240 nan 0.000 0.533 246 K N 0.097 120.511 120.400 0.024 0.000 3.129 246 K HA -0.141 4.179 4.320 0.000 0.000 0.273 246 K C 0.765 177.384 176.600 0.033 0.000 1.123 246 K CA 0.489 56.790 56.287 0.024 0.000 0.800 246 K CB -2.192 30.317 32.500 0.014 0.000 1.238 246 K HN 0.580 nan 8.250 nan 0.000 0.492 247 L N 0.926 122.178 121.223 0.048 0.000 2.551 247 L HA -0.118 4.222 4.340 0.000 0.000 0.228 247 L C 2.009 178.911 176.870 0.053 0.000 1.153 247 L CA 1.055 55.932 54.840 0.061 0.000 0.851 247 L CB -0.276 41.839 42.059 0.094 0.000 0.959 247 L HN 0.342 nan 8.230 nan 0.000 0.451 248 D N -0.501 119.926 120.400 0.044 0.000 2.363 248 D HA -0.039 4.601 4.640 0.000 0.000 0.220 248 D C 1.165 177.482 176.300 0.028 0.000 0.994 248 D CA 0.445 54.467 54.000 0.037 0.000 0.890 248 D CB -0.202 40.618 40.800 0.034 0.000 0.906 248 D HN 0.187 nan 8.370 nan 0.000 0.530 249 G N 1.193 110.008 108.800 0.026 0.000 2.508 249 G HA2 0.218 4.178 3.960 0.000 0.000 0.278 249 G HA3 0.218 4.178 3.960 0.000 0.000 0.278 249 G C 0.235 175.148 174.900 0.021 0.000 1.389 249 G CA 0.091 45.204 45.100 0.021 0.000 1.050 249 G HN 0.160 nan 8.290 nan 0.000 0.522 250 D N -1.543 118.867 120.400 0.017 0.000 2.431 250 D HA 0.352 4.992 4.640 0.000 0.000 0.213 250 D C 1.105 177.414 176.300 0.015 0.000 1.130 250 D CA 0.011 54.021 54.000 0.017 0.000 0.834 250 D CB -0.137 40.671 40.800 0.013 0.000 0.985 250 D HN 0.480 nan 8.370 nan 0.000 0.504 251 A N 1.116 123.945 122.820 0.015 0.000 2.540 251 A HA 0.103 4.423 4.320 0.000 0.000 0.239 251 A C 1.444 179.038 177.584 0.016 0.000 1.061 251 A CA -0.258 51.786 52.037 0.012 0.000 0.758 251 A CB 0.504 19.510 19.000 0.010 0.000 0.991 251 A HN 0.017 nan 8.150 nan 0.000 0.502 252 R N 2.051 122.558 120.500 0.011 0.000 2.148 252 R HA -0.024 4.316 4.340 0.000 0.000 0.227 252 R C 1.544 177.855 176.300 0.019 0.000 1.103 252 R CA 1.092 57.200 56.100 0.014 0.000 0.983 252 R CB -0.663 29.640 30.300 0.004 0.000 0.874 252 R HN 1.760 nan 8.270 nan 0.000 0.451 253 G N -0.711 108.096 108.800 0.011 0.000 2.132 253 G HA2 -0.243 3.717 3.960 0.000 0.000 0.234 253 G HA3 -0.243 3.717 3.960 0.000 0.000 0.234 253 G C 0.995 175.890 174.900 -0.007 0.000 0.989 253 G CA 0.483 45.590 45.100 0.012 0.000 0.676 253 G HN 0.487 nan 8.290 nan 0.000 0.522 254 G N 0.626 109.413 108.800 -0.022 0.000 2.485 254 G HA2 0.142 4.102 3.960 0.000 0.000 0.221 254 G HA3 0.142 4.102 3.960 0.000 0.000 0.221 254 G C 1.997 176.866 174.900 -0.053 0.000 1.115 254 G CA 2.392 47.464 45.100 -0.047 0.000 0.751 254 G HN 1.701 nan 8.290 nan 0.000 0.567 255 A N 1.141 123.935 122.820 -0.043 0.000 1.997 255 A HA 0.081 4.401 4.320 0.000 0.000 0.221 255 A C 2.803 180.348 177.584 -0.064 0.000 1.172 255 A CA 2.401 54.410 52.037 -0.047 0.000 0.645 255 A CB -0.720 18.256 19.000 -0.040 0.000 0.813 255 A HN 0.871 nan 8.150 nan 0.000 0.454 256 A N -0.699 122.075 122.820 -0.077 0.000 1.877 256 A HA -0.036 4.284 4.320 0.000 0.000 0.216 256 A C 2.116 179.641 177.584 -0.099 0.000 1.186 256 A CA 1.746 53.709 52.037 -0.123 0.000 0.620 256 A CB -0.593 18.317 19.000 -0.150 0.000 0.822 256 A HN 0.660 nan 8.150 nan 0.000 0.443 257 L N 0.188 121.369 121.223 -0.069 0.000 2.017 257 L HA -0.121 4.219 4.340 0.000 0.000 0.208 257 L C 2.598 179.457 176.870 -0.019 0.000 1.073 257 L CA 2.528 57.337 54.840 -0.052 0.000 0.745 257 L CB -0.801 41.199 42.059 -0.098 0.000 0.894 257 L HN 0.337 nan 8.230 nan 0.000 0.432 258 S N -0.062 115.615 115.700 -0.039 0.000 2.359 258 S HA -0.262 4.208 4.470 0.000 0.000 0.223 258 S C 2.094 176.708 174.600 0.023 0.000 1.039 258 S CA 1.439 59.628 58.200 -0.017 0.000 1.042 258 S CB -0.858 62.323 63.200 -0.033 0.000 0.915 258 S HN 0.672 nan 8.310 nan 0.000 0.439 259 A N 1.448 124.258 122.820 -0.017 0.000 1.902 259 A HA -0.113 4.207 4.320 0.000 0.000 0.217 259 A C 2.136 179.700 177.584 -0.033 0.000 1.181 259 A CA 1.586 53.605 52.037 -0.029 0.000 0.623 259 A CB -0.541 18.415 19.000 -0.075 0.000 0.818 259 A HN 0.407 nan 8.150 nan 0.000 0.443 260 R N -1.621 118.850 120.500 -0.048 0.000 2.115 260 R HA -0.143 4.197 4.340 0.000 0.000 0.230 260 R C 2.244 178.541 176.300 -0.005 0.000 1.111 260 R CA 1.262 57.326 56.100 -0.059 0.000 0.976 260 R CB -0.429 29.822 30.300 -0.082 0.000 0.870 260 R HN 0.802 nan 8.270 nan 0.000 0.445 261 H N -0.258 118.786 119.070 -0.044 0.000 2.290 261 H HA -0.117 4.439 4.556 0.000 0.000 0.298 261 H C 1.836 177.152 175.328 -0.019 0.000 1.087 261 H CA 1.964 58.001 56.048 -0.020 0.000 1.291 261 H CB 0.008 29.767 29.762 -0.006 0.000 1.369 261 H HN 0.110 nan 8.280 nan 0.000 0.492 262 V N 1.017 120.986 119.914 0.091 0.000 2.719 262 V HA -0.134 3.986 4.120 0.000 0.000 0.252 262 V C 2.515 178.593 176.094 -0.026 0.000 1.065 262 V CA 2.108 64.431 62.300 0.038 0.000 1.086 262 V CB -0.331 31.544 31.823 0.087 0.000 0.700 262 V HN 0.777 nan 8.190 nan 0.000 0.467 263 T N -4.018 110.514 114.554 -0.037 0.000 3.039 263 T HA 0.253 4.603 4.350 0.000 0.000 0.250 263 T C 1.676 176.332 174.700 -0.074 0.000 1.052 263 T CA 1.018 63.089 62.100 -0.049 0.000 1.125 263 T CB 0.399 69.237 68.868 -0.050 0.000 0.908 263 T HN 1.149 nan 8.240 nan 0.000 0.473 264 G N 1.864 110.609 108.800 -0.092 0.000 2.148 264 G HA2 -0.204 3.756 3.960 0.000 0.000 0.254 264 G HA3 -0.204 3.756 3.960 0.000 0.000 0.254 264 G C -0.029 174.805 174.900 -0.109 0.000 0.981 264 G CA 0.205 45.246 45.100 -0.098 0.000 0.670 264 G HN 0.632 nan 8.290 nan 0.000 0.528 265 K N 0.712 121.033 120.400 -0.132 0.000 2.098 265 K HA 0.557 4.877 4.320 0.000 0.000 0.258 265 K C -2.267 174.172 176.600 -0.268 0.000 0.973 265 K CA -2.211 53.964 56.287 -0.186 0.000 0.898 265 K CB 1.609 34.002 32.500 -0.178 0.000 1.057 265 K HN 0.133 nan 8.250 nan 0.000 0.447 266 P HA 0.263 nan 4.420 nan 0.000 0.274 266 P C -0.293 176.621 177.300 -0.642 0.000 1.231 266 P CA -0.244 62.550 63.100 -0.510 0.000 0.790 266 P CB 0.509 31.812 31.700 -0.662 0.000 0.951 267 I N 3.023 123.288 120.570 -0.509 0.000 2.291 267 I HA 0.118 4.288 4.170 0.000 0.000 0.290 267 I C 1.001 176.874 176.117 -0.408 0.000 1.050 267 I CA -0.386 60.575 61.300 -0.565 0.000 1.245 267 I CB 0.238 37.656 38.000 -0.970 0.000 1.405 267 I HN 0.305 nan 8.210 nan 0.000 0.478 268 Y N 5.358 125.485 120.300 -0.289 0.000 2.231 268 Y HA 0.162 4.712 4.550 0.000 0.000 0.294 268 Y C 0.544 176.055 175.900 -0.649 0.000 1.120 268 Y CA 0.854 58.668 58.100 -0.477 0.000 1.141 268 Y CB 0.011 38.140 38.460 -0.552 0.000 1.022 268 Y HN 0.295 nan 8.280 nan 0.000 0.523 269 F N -1.365 118.628 119.950 0.072 0.000 2.577 269 F HA 0.695 5.223 4.527 0.000 0.000 0.318 269 F C -0.271 175.545 175.800 0.026 0.000 1.065 269 F CA -1.849 56.154 58.000 0.005 0.000 0.929 269 F CB 1.362 40.332 39.000 -0.049 0.000 1.237 269 F HN -0.276 nan 8.300 nan 0.000 0.468 270 A N 0.890 123.870 122.820 0.266 0.000 2.318 270 A HA 0.715 5.035 4.320 0.000 0.000 0.317 270 A C -0.213 177.457 177.584 0.143 0.000 1.159 270 A CA -0.569 51.594 52.037 0.209 0.000 0.799 270 A CB 0.610 19.760 19.000 0.250 0.000 1.194 270 A HN 0.939 nan 8.150 nan 0.000 0.479 271 G N 0.586 109.443 108.800 0.096 0.000 2.320 271 G HA2 0.497 4.457 3.960 0.000 0.000 0.300 271 G HA3 0.497 4.457 3.960 0.000 0.000 0.300 271 G C 0.376 175.315 174.900 0.065 0.000 1.126 271 G CA 0.293 45.429 45.100 0.060 0.000 0.896 271 G HN 1.674 nan 8.290 nan 0.000 0.436 272 V N -0.179 119.772 119.914 0.062 0.000 3.330 272 V HA 0.582 4.702 4.120 0.000 0.000 0.309 272 V C 0.448 176.570 176.094 0.048 0.000 1.481 272 V CA 0.530 62.868 62.300 0.064 0.000 1.068 272 V CB -0.721 31.150 31.823 0.081 0.000 0.935 272 V HN 1.081 nan 8.190 nan 0.000 0.453 273 S N -0.259 115.464 115.700 0.038 0.000 2.636 273 S HA 0.363 4.833 4.470 0.000 0.000 0.266 273 S C 0.391 175.005 174.600 0.022 0.000 1.147 273 S CA 0.214 58.431 58.200 0.030 0.000 0.815 273 S CB 1.440 64.658 63.200 0.030 0.000 1.119 273 S HN 0.379 nan 8.310 nan 0.000 0.470 274 E N 0.707 120.918 120.200 0.018 0.000 2.481 274 E HA 0.125 4.475 4.350 0.000 0.000 0.195 274 E C -0.133 176.474 176.600 0.012 0.000 1.047 274 E CA 0.324 56.732 56.400 0.013 0.000 0.867 274 E CB -0.222 29.485 29.700 0.011 0.000 0.858 274 E HN 0.598 nan 8.360 nan 0.000 0.513 275 K N 1.320 121.729 120.400 0.015 0.000 2.118 275 K HA 0.210 4.530 4.320 0.000 0.000 0.264 275 K C -1.892 174.717 176.600 0.016 0.000 1.000 275 K CA -2.013 54.283 56.287 0.015 0.000 0.929 275 K CB 0.928 33.438 32.500 0.017 0.000 1.021 275 K HN -0.242 nan 8.250 nan 0.000 0.463 276 P HA -0.164 nan 4.420 nan 0.000 0.219 276 P C 0.134 177.448 177.300 0.025 0.000 1.146 276 P CA 1.255 64.364 63.100 0.015 0.000 0.808 276 P CB 0.275 31.983 31.700 0.013 0.000 0.779 277 E N -0.955 119.263 120.200 0.030 0.000 2.347 277 E HA 0.035 4.385 4.350 0.000 0.000 0.196 277 E C 1.637 178.271 176.600 0.056 0.000 1.008 277 E CA 0.593 57.020 56.400 0.044 0.000 0.852 277 E CB -1.003 28.720 29.700 0.037 0.000 0.783 277 E HN 0.144 nan 8.360 nan 0.000 0.505 278 G N 0.953 109.778 108.800 0.042 0.000 3.353 278 G HA2 0.281 4.241 3.960 0.000 0.000 0.247 278 G HA3 0.281 4.241 3.960 0.000 0.000 0.247 278 G C -0.590 174.336 174.900 0.044 0.000 1.025 278 G CA -0.165 44.963 45.100 0.046 0.000 1.863 278 G HN 0.022 nan 8.290 nan 0.000 0.635 279 L N -0.355 120.900 121.223 0.053 0.000 2.408 279 L HA 0.643 4.983 4.340 0.000 0.000 0.268 279 L C -0.695 176.226 176.870 0.085 0.000 0.986 279 L CA -0.629 54.224 54.840 0.022 0.000 0.820 279 L CB 2.181 44.174 42.059 -0.111 0.000 1.303 279 L HN 0.251 nan 8.230 nan 0.000 0.411 280 E N 4.298 124.567 120.200 0.115 0.000 2.393 280 E HA 0.496 4.846 4.350 0.000 0.000 0.273 280 E C -2.642 174.020 176.600 0.104 0.000 0.918 280 E CA -2.145 54.346 56.400 0.151 0.000 0.773 280 E CB 1.883 31.696 29.700 0.190 0.000 1.275 280 E HN 0.338 nan 8.360 nan 0.000 0.451 281 P HA -0.005 nan 4.420 nan 0.000 0.269 281 P C -0.891 176.076 177.300 -0.556 0.000 1.209 281 P CA -0.060 62.835 63.100 -0.342 0.000 0.776 281 P CB 0.254 31.709 31.700 -0.408 0.000 0.876 282 F N 3.585 123.230 119.950 -0.509 0.000 2.456 282 F HA 0.280 4.807 4.527 0.000 0.000 0.358 282 F C -0.662 174.833 175.800 -0.508 0.000 1.095 282 F CA -0.056 57.716 58.000 -0.380 0.000 1.216 282 F CB 0.140 39.015 39.000 -0.208 0.000 1.125 282 F HN 0.239 nan 8.300 nan 0.000 0.549 283 Y N 7.899 127.673 120.300 -0.877 0.000 2.478 283 Y HA 0.330 4.880 4.550 0.000 0.000 0.329 283 Y C -1.753 173.558 175.900 -0.981 0.000 0.967 283 Y CA -2.402 55.297 58.100 -0.668 0.000 1.255 283 Y CB 0.827 39.086 38.460 -0.336 0.000 1.103 283 Y HN 0.498 nan 8.280 nan 0.000 0.497 284 P HA -0.255 nan 4.420 nan 0.000 0.216 284 P C 1.510 178.702 177.300 -0.180 0.000 1.153 284 P CA 1.689 64.606 63.100 -0.306 0.000 0.858 284 P CB 0.450 32.130 31.700 -0.033 0.000 0.789 285 E N -0.373 119.761 120.200 -0.110 0.000 2.097 285 E HA -0.249 4.101 4.350 0.000 0.000 0.196 285 E C 2.070 178.682 176.600 0.020 0.000 1.000 285 E CA 1.205 57.591 56.400 -0.023 0.000 0.804 285 E CB -0.112 29.610 29.700 0.037 0.000 0.740 285 E HN 0.117 nan 8.360 nan 0.000 0.454 286 R N -0.213 120.257 120.500 -0.050 0.000 2.062 286 R HA -0.112 4.228 4.340 0.000 0.000 0.231 286 R C 2.560 178.853 176.300 -0.012 0.000 1.136 286 R CA 1.181 57.263 56.100 -0.029 0.000 0.948 286 R CB -0.429 29.849 30.300 -0.038 0.000 0.845 286 R HN 0.199 nan 8.270 nan 0.000 0.430 287 L N 0.939 122.124 121.223 -0.064 0.000 2.083 287 L HA -0.113 4.227 4.340 0.000 0.000 0.209 287 L C 2.257 179.158 176.870 0.053 0.000 1.083 287 L CA 1.685 56.558 54.840 0.055 0.000 0.752 287 L CB -0.522 41.679 42.059 0.237 0.000 0.899 287 L HN 0.167 nan 8.230 nan 0.000 0.433 288 A N -0.415 122.419 122.820 0.023 0.000 1.859 288 A HA -0.205 4.115 4.320 0.000 0.000 0.217 288 A C 2.381 180.033 177.584 0.112 0.000 1.198 288 A CA 1.993 54.041 52.037 0.020 0.000 0.629 288 A CB -1.720 17.223 19.000 -0.096 0.000 0.830 288 A HN 0.504 nan 8.150 nan 0.000 0.446 289 G N -0.993 107.910 108.800 0.172 0.000 2.440 289 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 289 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 289 G C 1.746 176.690 174.900 0.074 0.000 1.154 289 G CA 1.173 46.358 45.100 0.142 0.000 0.767 289 G HN 0.587 nan 8.290 nan 0.000 0.552 290 R N 0.000 120.535 120.500 0.058 0.000 2.073 290 R HA 0.033 4.373 4.340 0.000 0.000 0.234 290 R C 2.567 178.887 176.300 0.034 0.000 1.134 290 R CA 1.232 57.358 56.100 0.043 0.000 0.952 290 R CB -0.336 29.993 30.300 0.049 0.000 0.850 290 R HN 0.422 nan 8.270 nan 0.000 0.433 291 I N 0.866 121.454 120.570 0.030 0.000 2.286 291 I HA -0.265 3.905 4.170 0.000 0.000 0.248 291 I C 1.700 177.822 176.117 0.008 0.000 1.115 291 I CA 1.119 62.422 61.300 0.005 0.000 1.392 291 I CB 0.024 38.008 38.000 -0.027 0.000 1.065 291 I HN 0.228 nan 8.210 nan 0.000 0.418 292 L N -0.049 121.193 121.223 0.032 0.000 2.591 292 L HA 0.196 4.536 4.340 0.000 0.000 0.228 292 L C 1.223 178.114 176.870 0.035 0.000 1.133 292 L CA -0.277 54.589 54.840 0.044 0.000 0.880 292 L CB -0.650 41.462 42.059 0.087 0.000 1.033 292 L HN 0.171 nan 8.230 nan 0.000 0.450 293 G N -1.022 107.796 108.800 0.029 0.000 2.753 293 G HA2 0.478 4.438 3.960 0.000 0.000 0.285 293 G HA3 0.478 4.438 3.960 0.000 0.000 0.285 293 G C 0.222 175.131 174.900 0.014 0.000 1.344 293 G CA -0.736 44.376 45.100 0.020 0.000 1.050 293 G HN -0.259 nan 8.290 nan 0.000 0.532 294 M N 0.000 119.607 119.600 0.011 0.000 2.572 294 M HA 0.000 4.480 4.480 0.000 0.000 0.227 294 M CA 0.000 55.305 55.300 0.009 0.000 0.988 294 M CB 0.000 32.604 32.600 0.007 0.000 1.302 294 M HN 0.000 nan 8.290 nan 0.000 0.411