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 2xil_1_A DATA FIRST_RESID 2 DATA SEQUENCE KTLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEYDNYIG YGPVLVRLAW DATA SEQUENCE HTSGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE DYVRTFFQRL NMNDREVVAL MGAHALGKTH LKNSGYEGPW GAANNVFTNE DATA SEQUENCE FYLNLLNENW KLEKNDANNE QWDSKSGYMM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDKFFKD FSKAFEKLLE NGITFPKDAP SPFIFKTLEE QGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.579 176.600 -0.035 0.000 0.988 2 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 2 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 3 T N -1.521 113.008 114.554 -0.043 0.000 14.191 3 T HA -0.295 4.417 4.350 0.603 0.000 0.420 3 T C 0.316 174.962 174.700 -0.089 0.000 1.440 3 T CA 0.196 62.262 62.100 -0.056 0.000 2.337 3 T CB -1.317 67.519 68.868 -0.053 0.000 2.754 3 T HN 0.688 nan 8.240 nan 0.000 0.214 4 L N 1.522 122.675 121.223 -0.116 0.000 2.862 4 L HA 0.243 4.945 4.340 0.603 0.000 0.297 4 L C -0.059 176.638 176.870 -0.289 0.000 1.190 4 L CA 0.080 54.798 54.840 -0.203 0.000 0.902 4 L CB -0.144 41.777 42.059 -0.229 0.000 1.236 4 L HN 0.626 nan 8.230 nan 0.000 0.485 5 V N 5.293 125.028 119.914 -0.299 0.000 2.459 5 V HA 0.296 4.778 4.120 0.603 0.000 0.295 5 V C -0.423 175.427 176.094 -0.406 0.000 1.029 5 V CA -0.499 61.630 62.300 -0.286 0.000 0.874 5 V CB 1.623 33.351 31.823 -0.158 0.000 0.985 5 V HN 0.654 nan 8.190 nan 0.000 0.438 6 H N 2.578 121.419 119.070 -0.381 0.000 2.685 6 H HA 0.525 5.440 4.556 0.598 0.000 0.307 6 H C -0.672 174.267 175.328 -0.648 0.000 1.017 6 H CA -0.724 54.850 56.048 -0.790 0.000 1.237 6 H CB 1.699 30.601 29.762 -1.433 0.000 1.409 6 H HN 0.471 nan 8.280 nan 0.000 0.488 7 V N 2.793 122.571 119.914 -0.227 0.000 2.432 7 V HA 0.312 4.794 4.120 0.603 0.000 0.275 7 V C 0.630 176.738 176.094 0.024 0.000 1.043 7 V CA -0.883 61.342 62.300 -0.124 0.000 0.925 7 V CB 1.054 32.851 31.823 -0.044 0.000 0.985 7 V HN 0.890 nan 8.190 nan 0.000 0.466 8 A N 4.055 126.802 122.820 -0.121 0.000 2.546 8 A HA 0.405 5.087 4.320 0.603 0.000 0.243 8 A C 0.549 178.154 177.584 0.035 0.000 1.063 8 A CA 0.408 52.405 52.037 -0.066 0.000 0.757 8 A CB 0.179 18.973 19.000 -0.345 0.000 0.991 8 A HN 0.913 nan 8.150 nan 0.000 0.503 9 S N 2.720 118.465 115.700 0.075 0.000 2.707 9 S HA 0.448 5.280 4.470 0.603 0.000 0.312 9 S C -0.448 174.218 174.600 0.110 0.000 1.116 9 S CA -0.621 57.631 58.200 0.087 0.000 1.078 9 S CB 0.562 63.819 63.200 0.095 0.000 0.997 9 S HN 0.748 nan 8.310 nan 0.000 0.477 10 V N 4.998 124.991 119.914 0.132 0.000 2.599 10 V HA 0.082 4.564 4.120 0.603 0.000 0.300 10 V C 0.520 176.749 176.094 0.225 0.000 1.034 10 V CA -0.024 62.398 62.300 0.203 0.000 1.115 10 V CB 0.090 32.036 31.823 0.204 0.000 0.934 10 V HN 0.844 nan 8.190 nan 0.000 0.485 11 E N 3.428 123.828 120.200 0.334 0.000 2.529 11 E HA 0.003 4.714 4.350 0.603 0.000 0.259 11 E C 0.289 176.984 176.600 0.158 0.000 0.966 11 E CA 0.194 56.768 56.400 0.290 0.000 0.937 11 E CB 0.186 30.170 29.700 0.474 0.000 0.923 11 E HN 0.524 nan 8.360 nan 0.000 0.468 12 K N 2.016 122.475 120.400 0.098 0.000 2.453 12 K HA 0.031 4.713 4.320 0.603 0.000 0.280 12 K C 0.865 177.453 176.600 -0.020 0.000 1.045 12 K CA 0.963 57.277 56.287 0.045 0.000 1.059 12 K CB -0.211 32.310 32.500 0.036 0.000 0.901 12 K HN 0.714 nan 8.250 nan 0.000 0.475 13 G N 3.462 112.261 108.800 -0.001 0.000 2.179 13 G HA2 -0.245 4.077 3.960 0.603 0.000 0.260 13 G HA3 -0.245 4.077 3.960 0.603 0.000 0.260 13 G C -0.079 174.777 174.900 -0.073 0.000 0.977 13 G CA -0.056 45.023 45.100 -0.036 0.000 0.641 13 G HN 0.578 nan 8.290 nan 0.000 0.533 14 R N 0.724 121.181 120.500 -0.073 0.000 2.531 14 R HA 0.709 5.411 4.340 0.603 0.000 0.273 14 R C 0.657 177.029 176.300 0.119 0.000 1.070 14 R CA 0.557 56.557 56.100 -0.167 0.000 1.112 14 R CB 1.338 31.402 30.300 -0.393 0.000 1.049 14 R HN 0.746 nan 8.270 nan 0.000 0.508 15 S N 0.006 115.763 115.700 0.096 0.000 2.840 15 S HA 0.161 4.992 4.470 0.603 0.000 0.307 15 S C 0.752 175.463 174.600 0.186 0.000 1.180 15 S CA -0.774 57.584 58.200 0.262 0.000 0.846 15 S CB 0.380 63.678 63.200 0.164 0.000 1.233 15 S HN 0.640 nan 8.310 nan 0.000 0.548 16 Y N 2.252 122.439 120.300 -0.188 0.000 2.114 16 Y HA -0.226 4.685 4.550 0.602 0.000 0.282 16 Y C 2.457 178.286 175.900 -0.117 0.000 1.165 16 Y CA 2.692 60.450 58.100 -0.570 0.000 1.148 16 Y CB -0.715 37.495 38.460 -0.417 0.000 0.972 16 Y HN 0.903 nan 8.280 nan 0.000 0.504 17 E N -0.787 119.357 120.200 -0.093 0.000 2.085 17 E HA -0.241 4.471 4.350 0.603 0.000 0.194 17 E C 1.702 178.191 176.600 -0.185 0.000 0.994 17 E CA 1.580 57.891 56.400 -0.148 0.000 0.801 17 E CB -0.623 29.059 29.700 -0.030 0.000 0.743 17 E HN 0.544 nan 8.360 nan 0.000 0.453 18 D N 0.498 120.773 120.400 -0.207 0.000 2.104 18 D HA -0.140 4.861 4.640 0.603 0.000 0.194 18 D C 1.858 178.008 176.300 -0.250 0.000 0.994 18 D CA 1.218 55.036 54.000 -0.303 0.000 0.830 18 D CB -0.280 40.096 40.800 -0.707 0.000 0.959 18 D HN 0.270 nan 8.370 nan 0.000 0.452 19 F N 0.752 120.663 119.950 -0.065 0.000 2.325 19 F HA -0.072 4.817 4.527 0.604 0.000 0.299 19 F C 2.653 178.109 175.800 -0.572 0.000 1.090 19 F CA 0.342 58.245 58.000 -0.163 0.000 1.392 19 F CB -0.135 38.935 39.000 0.117 0.000 1.053 19 F HN -0.144 nan 8.300 nan 0.000 0.521 20 Q N 1.214 120.798 119.800 -0.360 0.000 2.167 20 Q HA -0.152 4.550 4.340 0.603 0.000 0.202 20 Q C 1.837 177.653 176.000 -0.307 0.000 0.970 20 Q CA 1.614 57.147 55.803 -0.449 0.000 0.855 20 Q CB -0.155 28.324 28.738 -0.431 0.000 0.911 20 Q HN 0.262 nan 8.270 nan 0.000 0.438 21 K N -0.823 119.422 120.400 -0.259 0.000 2.097 21 K HA -0.085 4.596 4.320 0.603 0.000 0.206 21 K C 1.941 178.270 176.600 -0.452 0.000 1.049 21 K CA 1.419 57.581 56.287 -0.209 0.000 0.933 21 K CB -0.008 32.458 32.500 -0.057 0.000 0.717 21 K HN 0.084 nan 8.250 nan 0.000 0.442 22 V N 0.611 120.091 119.914 -0.722 0.000 2.307 22 V HA -0.261 4.220 4.120 0.603 0.000 0.245 22 V C 1.997 177.750 176.094 -0.569 0.000 1.045 22 V CA 1.563 63.268 62.300 -0.991 0.000 1.024 22 V CB -0.635 30.636 31.823 -0.920 0.000 0.651 22 V HN 0.267 nan 8.190 nan 0.000 0.449 23 Y N 1.785 121.685 120.300 -0.667 0.000 2.040 23 Y HA -0.378 4.534 4.550 0.602 0.000 0.275 23 Y C 2.465 178.164 175.900 -0.336 0.000 1.171 23 Y CA 2.555 60.309 58.100 -0.577 0.000 1.123 23 Y CB -0.524 37.469 38.460 -0.778 0.000 0.963 23 Y HN 0.325 nan 8.280 nan 0.000 0.493 24 N N -0.287 118.401 118.700 -0.020 0.000 2.166 24 N HA -0.216 4.886 4.740 0.603 0.000 0.186 24 N C 1.937 177.408 175.510 -0.065 0.000 1.019 24 N CA 0.713 53.772 53.050 0.015 0.000 0.856 24 N CB -0.333 38.169 38.487 0.025 0.000 0.993 24 N HN 0.511 nan 8.380 nan 0.000 0.426 25 A N 1.366 124.127 122.820 -0.098 0.000 1.898 25 A HA -0.093 4.589 4.320 0.603 0.000 0.216 25 A C 2.115 179.640 177.584 -0.099 0.000 1.181 25 A CA 0.944 52.959 52.037 -0.035 0.000 0.620 25 A CB -0.563 18.515 19.000 0.129 0.000 0.819 25 A HN 0.176 nan 8.150 nan 0.000 0.442 26 I N -0.220 120.250 120.570 -0.166 0.000 2.226 26 I HA -0.298 4.234 4.170 0.603 0.000 0.245 26 I C 2.949 179.028 176.117 -0.063 0.000 1.100 26 I CA 1.165 62.409 61.300 -0.094 0.000 1.374 26 I CB -0.312 37.565 38.000 -0.205 0.000 1.057 26 I HN 0.362 nan 8.210 nan 0.000 0.413 27 A N 0.691 123.386 122.820 -0.208 0.000 1.930 27 A HA -0.107 4.574 4.320 0.603 0.000 0.217 27 A C 2.280 179.848 177.584 -0.027 0.000 1.175 27 A CA 1.212 53.152 52.037 -0.162 0.000 0.627 27 A CB -0.741 18.134 19.000 -0.207 0.000 0.815 27 A HN 0.368 nan 8.150 nan 0.000 0.443 28 L N -0.763 120.447 121.223 -0.021 0.000 2.093 28 L HA -0.154 4.548 4.340 0.603 0.000 0.208 28 L C 2.590 179.466 176.870 0.010 0.000 1.085 28 L CA 1.764 56.605 54.840 0.003 0.000 0.755 28 L CB -0.298 41.757 42.059 -0.008 0.000 0.904 28 L HN 0.418 nan 8.230 nan 0.000 0.435 29 K N 0.401 120.794 120.400 -0.012 0.000 2.155 29 K HA -0.119 4.562 4.320 0.603 0.000 0.203 29 K C 2.152 178.870 176.600 0.196 0.000 1.052 29 K CA 0.817 57.071 56.287 -0.056 0.000 0.948 29 K CB 0.058 32.298 32.500 -0.434 0.000 0.728 29 K HN 0.225 nan 8.250 nan 0.000 0.448 30 L N 0.579 121.988 121.223 0.310 0.000 2.046 30 L HA -0.186 4.515 4.340 0.603 0.000 0.208 30 L C 2.794 179.770 176.870 0.177 0.000 1.077 30 L CA 1.322 56.315 54.840 0.254 0.000 0.747 30 L CB -0.334 41.773 42.059 0.081 0.000 0.896 30 L HN 0.244 nan 8.230 nan 0.000 0.432 31 R N 0.032 120.602 120.500 0.118 0.000 2.092 31 R HA -0.218 4.484 4.340 0.603 0.000 0.231 31 R C 2.193 178.558 176.300 0.108 0.000 1.119 31 R CA 1.703 57.863 56.100 0.100 0.000 0.970 31 R CB 0.038 30.380 30.300 0.070 0.000 0.864 31 R HN 0.252 nan 8.270 nan 0.000 0.440 32 E N 0.762 121.018 120.200 0.094 0.000 2.072 32 E HA -0.115 4.596 4.350 0.603 0.000 0.190 32 E C 0.048 176.711 176.600 0.105 0.000 0.982 32 E CA 1.348 57.793 56.400 0.074 0.000 0.803 32 E CB 0.049 29.764 29.700 0.025 0.000 0.755 32 E HN 0.175 nan 8.360 nan 0.000 0.453 33 D N 1.480 121.974 120.400 0.157 0.000 3.134 33 D HA -0.005 4.997 4.640 0.603 0.000 0.248 33 D C -0.033 176.418 176.300 0.251 0.000 1.273 33 D CA 0.227 54.359 54.000 0.220 0.000 0.904 33 D CB 0.056 41.043 40.800 0.313 0.000 1.089 33 D HN 0.391 nan 8.370 nan 0.000 0.478 34 D N 0.170 120.661 120.400 0.153 0.000 2.348 34 D HA -0.175 4.827 4.640 0.603 0.000 0.216 34 D C 1.320 177.560 176.300 -0.100 0.000 0.970 34 D CA 0.472 54.547 54.000 0.124 0.000 0.889 34 D CB 0.149 41.061 40.800 0.187 0.000 0.912 34 D HN 0.345 nan 8.370 nan 0.000 0.524 35 E N 0.552 120.567 120.200 -0.308 0.000 2.371 35 E HA -0.161 4.551 4.350 0.603 0.000 0.194 35 E C 0.497 176.748 176.600 -0.581 0.000 1.012 35 E CA -0.418 55.370 56.400 -1.019 0.000 0.860 35 E CB -1.162 28.135 29.700 -0.672 0.000 0.811 35 E HN 0.473 nan 8.360 nan 0.000 0.502 36 Y N 3.088 123.173 120.300 -0.358 0.000 2.811 36 Y HA -0.063 4.847 4.550 0.601 0.000 0.334 36 Y C 0.223 175.937 175.900 -0.310 0.000 1.247 36 Y CA 1.099 58.973 58.100 -0.377 0.000 1.526 36 Y CB 0.253 38.251 38.460 -0.771 0.000 1.284 36 Y HN -0.015 nan 8.280 nan 0.000 0.586 37 D N 5.054 124.822 120.400 -1.053 0.000 2.746 37 D HA -0.298 4.703 4.640 0.603 0.000 0.241 37 D C -0.527 175.589 176.300 -0.307 0.000 1.140 37 D CA 1.336 54.878 54.000 -0.762 0.000 0.707 37 D CB -1.365 38.899 40.800 -0.892 0.000 1.034 37 D HN 0.840 nan 8.370 nan 0.000 0.423 38 N N 0.342 118.921 118.700 -0.202 0.000 2.714 38 N HA -0.296 4.805 4.740 0.603 0.000 0.252 38 N C 0.082 175.677 175.510 0.142 0.000 1.014 38 N CA 1.401 54.455 53.050 0.007 0.000 0.735 38 N CB -1.433 37.069 38.487 0.024 0.000 0.924 38 N HN 0.679 nan 8.380 nan 0.000 0.540 39 Y N -3.215 117.059 120.300 -0.043 0.000 4.668 39 Y HA -0.305 4.607 4.550 0.603 0.000 0.234 39 Y C 1.653 177.559 175.900 0.009 0.000 1.056 39 Y CA 0.890 58.991 58.100 0.002 0.000 2.025 39 Y CB -1.947 36.522 38.460 0.015 0.000 1.613 39 Y HN 0.419 nan 8.280 nan 0.000 0.653 40 I N -0.182 120.414 120.570 0.043 0.000 2.439 40 I HA 0.002 4.534 4.170 0.603 0.000 0.251 40 I C 1.715 177.877 176.117 0.075 0.000 1.139 40 I CA 1.303 62.636 61.300 0.054 0.000 1.438 40 I CB -0.460 37.552 38.000 0.019 0.000 1.085 40 I HN 0.538 nan 8.210 nan 0.000 0.427 41 G N -0.343 108.492 108.800 0.058 0.000 2.746 41 G HA2 -0.289 4.033 3.960 0.603 0.000 0.685 41 G HA3 -0.289 4.033 3.960 0.603 0.000 0.685 41 G C -0.246 174.751 174.900 0.161 0.000 1.350 41 G CA -0.388 44.789 45.100 0.129 0.000 0.837 41 G HN 0.146 nan 8.290 nan 0.000 0.564 42 Y N 1.686 122.021 120.300 0.058 0.000 2.529 42 Y HA 0.207 5.118 4.550 0.601 0.000 0.290 42 Y C 2.757 178.519 175.900 -0.228 0.000 1.177 42 Y CA 1.500 59.479 58.100 -0.202 0.000 1.305 42 Y CB 0.072 38.122 38.460 -0.684 0.000 1.047 42 Y HN 0.819 nan 8.280 nan 0.000 0.522 43 G N 1.577 110.377 108.800 -0.000 0.000 2.553 43 G HA2 -0.268 4.053 3.960 0.603 0.000 0.218 43 G HA3 -0.268 4.053 3.960 0.603 0.000 0.218 43 G C -0.564 174.338 174.900 0.004 0.000 1.195 43 G CA 1.009 46.091 45.100 -0.030 0.000 0.779 43 G HN 0.271 nan 8.290 nan 0.000 0.577 44 P HA -0.068 nan 4.420 nan 0.000 0.215 44 P C 2.137 179.499 177.300 0.104 0.000 1.157 44 P CA 0.921 64.075 63.100 0.090 0.000 0.868 44 P CB -0.174 31.603 31.700 0.129 0.000 0.788 45 V N -0.738 119.244 119.914 0.113 0.000 2.626 45 V HA -0.176 4.306 4.120 0.603 0.000 0.252 45 V C 2.078 178.190 176.094 0.031 0.000 1.067 45 V CA 1.479 63.839 62.300 0.101 0.000 1.081 45 V CB -1.051 30.854 31.823 0.136 0.000 0.686 45 V HN 0.000 nan 8.190 nan 0.000 0.468 46 L N -0.910 120.295 121.223 -0.030 0.000 2.093 46 L HA -0.114 4.587 4.340 0.603 0.000 0.208 46 L C 2.485 179.387 176.870 0.053 0.000 1.085 46 L CA 1.316 56.121 54.840 -0.057 0.000 0.755 46 L CB -0.620 41.329 42.059 -0.184 0.000 0.904 46 L HN 0.227 nan 8.230 nan 0.000 0.435 47 V N -0.118 119.847 119.914 0.085 0.000 2.287 47 V HA -0.323 4.158 4.120 0.603 0.000 0.248 47 V C 2.658 178.924 176.094 0.286 0.000 1.053 47 V CA 1.927 64.341 62.300 0.191 0.000 1.027 47 V CB -0.677 31.204 31.823 0.097 0.000 0.646 47 V HN 0.448 nan 8.190 nan 0.000 0.447 48 R N -0.527 120.098 120.500 0.209 0.000 2.096 48 R HA -0.164 4.538 4.340 0.603 0.000 0.235 48 R C 2.278 178.633 176.300 0.092 0.000 1.127 48 R CA 1.590 57.829 56.100 0.232 0.000 0.968 48 R CB -0.324 30.048 30.300 0.120 0.000 0.861 48 R HN 0.451 nan 8.270 nan 0.000 0.440 49 L N 0.659 121.888 121.223 0.011 0.000 2.017 49 L HA -0.093 4.609 4.340 0.603 0.000 0.208 49 L C 2.248 179.114 176.870 -0.007 0.000 1.073 49 L CA 2.165 56.933 54.840 -0.120 0.000 0.745 49 L CB -0.699 41.245 42.059 -0.193 0.000 0.894 49 L HN 0.189 nan 8.230 nan 0.000 0.432 50 A N -0.321 122.592 122.820 0.154 0.000 1.908 50 A HA -0.293 4.389 4.320 0.603 0.000 0.218 50 A C 2.285 180.044 177.584 0.291 0.000 1.181 50 A CA 1.974 54.151 52.037 0.234 0.000 0.627 50 A CB -1.470 17.731 19.000 0.336 0.000 0.818 50 A HN 0.836 nan 8.150 nan 0.000 0.445 51 W N -0.216 121.225 121.300 0.235 0.000 2.379 51 W HA -0.171 4.854 4.660 0.608 0.000 0.307 51 W C 1.860 178.574 176.519 0.325 0.000 1.200 51 W CA 1.613 59.130 57.345 0.286 0.000 1.297 51 W CB -0.649 29.038 29.460 0.378 0.000 1.140 51 W HN 0.572 nan 8.180 nan 0.000 0.507 52 H N 0.368 119.231 119.070 -0.344 0.000 2.423 52 H HA -0.131 4.824 4.556 0.664 0.000 0.297 52 H C 2.447 177.646 175.328 -0.216 0.000 1.075 52 H CA 1.862 57.592 56.048 -0.529 0.000 1.342 52 H CB 0.094 29.640 29.762 -0.359 0.000 1.395 52 H HN 0.180 nan 8.280 nan 0.000 0.530 53 T N -2.221 112.342 114.554 0.016 0.000 2.995 53 T HA -0.022 4.690 4.350 0.603 0.000 0.269 53 T C 2.050 176.828 174.700 0.130 0.000 1.091 53 T CA 0.965 63.108 62.100 0.072 0.000 1.128 53 T CB 0.013 68.927 68.868 0.077 0.000 0.891 53 T HN 0.069 nan 8.240 nan 0.000 0.492 54 S N 1.066 116.842 115.700 0.127 0.000 2.456 54 S HA 0.254 5.086 4.470 0.603 0.000 0.224 54 S C 2.204 176.913 174.600 0.181 0.000 1.035 54 S CA 0.379 58.667 58.200 0.145 0.000 0.940 54 S CB -0.382 62.898 63.200 0.133 0.000 0.799 54 S HN 0.693 nan 8.310 nan 0.000 0.508 55 G N 1.884 110.747 108.800 0.105 0.000 2.848 55 G HA2 -0.047 4.275 3.960 0.603 0.000 0.208 55 G HA3 -0.047 4.275 3.960 0.603 0.000 0.208 55 G C 1.257 176.182 174.900 0.041 0.000 1.152 55 G CA 1.079 46.229 45.100 0.084 0.000 0.789 55 G HN 0.592 nan 8.290 nan 0.000 0.531 56 T N -3.615 110.976 114.554 0.062 0.000 3.113 56 T HA -0.019 4.693 4.350 0.603 0.000 0.256 56 T C 0.893 175.691 174.700 0.163 0.000 1.131 56 T CA -0.642 61.507 62.100 0.080 0.000 1.074 56 T CB -0.076 68.845 68.868 0.088 0.000 0.944 56 T HN 0.200 nan 8.240 nan 0.000 0.516 57 W N 3.076 124.390 121.300 0.024 0.000 2.170 57 W HA 0.383 5.394 4.660 0.586 0.000 0.342 57 W C -0.495 176.016 176.519 -0.013 0.000 1.294 57 W CA -0.485 56.876 57.345 0.027 0.000 1.246 57 W CB 0.318 29.803 29.460 0.042 0.000 1.156 57 W HN 0.027 nan 8.180 nan 0.000 0.572 58 D N 4.780 124.817 120.400 -0.605 0.000 2.481 58 D HA 0.088 5.090 4.640 0.603 0.000 0.246 58 D C 0.966 176.509 176.300 -1.261 0.000 1.109 58 D CA -0.420 53.161 54.000 -0.699 0.000 0.845 58 D CB 1.347 41.977 40.800 -0.285 0.000 1.160 58 D HN 0.575 nan 8.370 nan 0.000 0.534 59 K N 2.659 122.140 120.400 -1.532 0.000 2.209 59 K HA -0.178 4.504 4.320 0.603 0.000 0.204 59 K C 0.778 176.938 176.600 -0.733 0.000 1.048 59 K CA 1.204 56.636 56.287 -1.426 0.000 0.940 59 K CB -0.215 31.675 32.500 -1.017 0.000 0.729 59 K HN 0.421 nan 8.250 nan 0.000 0.451 60 H N 1.370 120.193 119.070 -0.412 0.000 2.423 60 H HA -0.068 4.841 4.556 0.589 0.000 0.297 60 H C 0.874 176.090 175.328 -0.186 0.000 1.075 60 H CA 1.643 57.551 56.048 -0.234 0.000 1.342 60 H CB 0.082 29.730 29.762 -0.190 0.000 1.395 60 H HN 0.676 nan 8.280 nan 0.000 0.530 61 D N -2.314 118.023 120.400 -0.106 0.000 2.525 61 D HA 0.011 5.013 4.640 0.603 0.000 0.231 61 D C 0.054 176.304 176.300 -0.085 0.000 1.216 61 D CA -0.177 53.778 54.000 -0.076 0.000 0.813 61 D CB -0.464 40.307 40.800 -0.049 0.000 1.108 61 D HN 0.098 nan 8.370 nan 0.000 0.524 62 N N 0.630 119.250 118.700 -0.133 0.000 2.747 62 N HA -0.177 4.925 4.740 0.603 0.000 0.249 62 N C -0.646 174.927 175.510 0.105 0.000 1.107 62 N CA 1.272 54.350 53.050 0.046 0.000 0.707 62 N CB -1.800 36.740 38.487 0.088 0.000 1.054 62 N HN 0.591 nan 8.380 nan 0.000 0.555 63 T N -3.280 111.288 114.554 0.022 0.000 2.816 63 T HA 0.647 5.358 4.350 0.603 0.000 0.282 63 T C 1.440 176.256 174.700 0.194 0.000 0.993 63 T CA 0.152 62.313 62.100 0.101 0.000 0.994 63 T CB 1.318 70.207 68.868 0.035 0.000 1.025 63 T HN 1.054 nan 8.240 nan 0.000 0.529 64 G N 0.202 109.132 108.800 0.216 0.000 2.578 64 G HA2 0.291 4.613 3.960 0.603 0.000 0.275 64 G HA3 0.291 4.613 3.960 0.603 0.000 0.275 64 G C 0.455 175.573 174.900 0.364 0.000 1.271 64 G CA 0.171 45.420 45.100 0.249 0.000 0.941 64 G HN 2.750 nan 8.290 nan 0.000 0.564 65 G N -3.048 105.962 108.800 0.349 0.000 2.746 65 G HA2 0.301 4.623 3.960 0.603 0.000 0.685 65 G HA3 0.301 4.623 3.960 0.603 0.000 0.685 65 G C 1.136 176.154 174.900 0.196 0.000 1.350 65 G CA 1.132 46.400 45.100 0.281 0.000 0.837 65 G HN 2.458 nan 8.290 nan 0.000 0.564 66 S N -0.969 114.806 115.700 0.124 0.000 2.447 66 S HA -0.116 4.716 4.470 0.603 0.000 0.233 66 S C 1.900 176.582 174.600 0.136 0.000 1.006 66 S CA 1.897 60.182 58.200 0.142 0.000 0.957 66 S CB -0.299 62.956 63.200 0.092 0.000 0.773 66 S HN 1.354 nan 8.310 nan 0.000 0.507 67 Y N 2.811 123.088 120.300 -0.038 0.000 2.128 67 Y HA -0.015 4.894 4.550 0.599 0.000 0.284 67 Y C 2.429 178.268 175.900 -0.101 0.000 1.154 67 Y CA 1.611 59.634 58.100 -0.128 0.000 1.149 67 Y CB -0.937 37.349 38.460 -0.289 0.000 0.976 67 Y HN 0.351 nan 8.280 nan 0.000 0.505 68 G N -1.493 107.340 108.800 0.055 0.000 2.712 68 G HA2 0.154 4.476 3.960 0.603 0.000 0.212 68 G HA3 0.154 4.476 3.960 0.603 0.000 0.212 68 G C 1.252 176.214 174.900 0.104 0.000 1.142 68 G CA 0.363 45.489 45.100 0.043 0.000 0.789 68 G HN 0.924 nan 8.290 nan 0.000 0.535 69 G N 0.249 109.148 108.800 0.165 0.000 2.221 69 G HA2 -0.296 4.026 3.960 0.603 0.000 0.265 69 G HA3 -0.296 4.026 3.960 0.603 0.000 0.265 69 G C 1.092 176.247 174.900 0.426 0.000 1.041 69 G CA 1.336 46.605 45.100 0.282 0.000 0.807 69 G HN 1.101 nan 8.290 nan 0.000 0.502 70 T N -3.203 111.591 114.554 0.401 0.000 3.118 70 T HA -0.013 4.699 4.350 0.603 0.000 0.260 70 T C 1.737 176.661 174.700 0.374 0.000 1.139 70 T CA 1.266 63.631 62.100 0.441 0.000 1.085 70 T CB -0.117 68.990 68.868 0.398 0.000 0.934 70 T HN 0.687 nan 8.240 nan 0.000 0.518 71 Y N 3.363 123.807 120.300 0.240 0.000 2.315 71 Y HA -0.156 4.750 4.550 0.594 0.000 0.288 71 Y C 2.450 178.409 175.900 0.099 0.000 1.154 71 Y CA 1.290 59.446 58.100 0.093 0.000 1.229 71 Y CB -0.244 38.129 38.460 -0.145 0.000 0.980 71 Y HN 0.264 nan 8.280 nan 0.000 0.540 72 R N -0.706 119.895 120.500 0.169 0.000 2.285 72 R HA -0.052 4.649 4.340 0.603 0.000 0.213 72 R C -0.457 175.717 176.300 -0.210 0.000 1.068 72 R CA 0.388 56.463 56.100 -0.042 0.000 1.004 72 R CB -0.881 29.429 30.300 0.017 0.000 0.873 72 R HN 0.260 nan 8.270 nan 0.000 0.467 73 F N 2.314 122.282 119.950 0.030 0.000 2.397 73 F HA 0.234 5.120 4.527 0.597 0.000 0.331 73 F C 1.601 177.046 175.800 -0.592 0.000 1.090 73 F CA -1.190 56.729 58.000 -0.134 0.000 1.065 73 F CB 1.686 40.637 39.000 -0.081 0.000 1.184 73 F HN -0.150 nan 8.300 nan 0.000 0.499 74 K N 1.474 121.509 120.400 -0.609 0.000 2.152 74 K HA -0.218 4.464 4.320 0.603 0.000 0.206 74 K C 1.685 177.755 176.600 -0.884 0.000 1.048 74 K CA 1.767 57.170 56.287 -1.474 0.000 0.933 74 K CB -0.202 31.861 32.500 -0.729 0.000 0.721 74 K HN 0.634 nan 8.250 nan 0.000 0.447 75 K N 1.411 121.567 120.400 -0.406 0.000 2.063 75 K HA -0.233 4.448 4.320 0.603 0.000 0.208 75 K C 2.213 178.682 176.600 -0.218 0.000 1.048 75 K CA 1.979 58.120 56.287 -0.243 0.000 0.928 75 K CB 0.002 32.424 32.500 -0.130 0.000 0.713 75 K HN 0.418 nan 8.250 nan 0.000 0.442 76 E N -0.335 119.742 120.200 -0.206 0.000 2.086 76 E HA -0.125 4.586 4.350 0.603 0.000 0.190 76 E C 1.826 178.328 176.600 -0.164 0.000 0.975 76 E CA 0.775 57.118 56.400 -0.094 0.000 0.813 76 E CB -0.153 29.567 29.700 0.034 0.000 0.768 76 E HN 0.441 nan 8.360 nan 0.000 0.457 77 F N 0.503 120.197 119.950 -0.426 0.000 2.407 77 F HA 0.157 5.044 4.527 0.601 0.000 0.299 77 F C 1.246 176.890 175.800 -0.261 0.000 1.097 77 F CA 0.385 57.961 58.000 -0.707 0.000 1.422 77 F CB -0.472 37.842 39.000 -1.144 0.000 1.067 77 F HN -0.082 nan 8.300 nan 0.000 0.539 78 N N 0.843 119.466 118.700 -0.129 0.000 2.314 78 N HA -0.045 5.057 4.740 0.603 0.000 0.200 78 N C -0.325 175.194 175.510 0.015 0.000 1.135 78 N CA 0.198 53.259 53.050 0.018 0.000 0.835 78 N CB -0.604 37.845 38.487 -0.063 0.000 0.989 78 N HN 0.316 nan 8.380 nan 0.000 0.478 79 D N 1.427 121.838 120.400 0.019 0.000 2.487 79 D HA -0.000 5.001 4.640 0.603 0.000 0.243 79 D C -1.426 174.922 176.300 0.081 0.000 1.154 79 D CA -1.472 52.554 54.000 0.043 0.000 0.876 79 D CB 1.364 42.194 40.800 0.051 0.000 1.161 79 D HN 0.031 nan 8.370 nan 0.000 0.478 80 P HA -0.117 nan 4.420 nan 0.000 0.217 80 P C 1.182 178.553 177.300 0.118 0.000 1.148 80 P CA 1.029 64.179 63.100 0.084 0.000 0.828 80 P CB 0.213 31.952 31.700 0.065 0.000 0.783 81 S N -0.955 114.812 115.700 0.111 0.000 2.442 81 S HA -0.082 4.750 4.470 0.603 0.000 0.236 81 S C 1.322 176.077 174.600 0.258 0.000 1.007 81 S CA 0.968 59.257 58.200 0.147 0.000 0.965 81 S CB -0.748 62.475 63.200 0.037 0.000 0.773 81 S HN 0.235 nan 8.310 nan 0.000 0.504 82 N N 1.378 120.221 118.700 0.238 0.000 2.268 82 N HA 0.293 5.395 4.740 0.603 0.000 0.204 82 N C -0.047 175.603 175.510 0.233 0.000 1.124 82 N CA -0.034 53.205 53.050 0.315 0.000 0.838 82 N CB 0.162 38.870 38.487 0.368 0.000 0.994 82 N HN 0.299 nan 8.380 nan 0.000 0.489 83 A N -0.110 122.820 122.820 0.185 0.000 2.548 83 A HA 0.447 5.129 4.320 0.603 0.000 0.247 83 A C 1.469 179.126 177.584 0.122 0.000 1.067 83 A CA 0.888 53.010 52.037 0.141 0.000 0.757 83 A CB -0.277 18.794 19.000 0.119 0.000 0.996 83 A HN 0.446 nan 8.150 nan 0.000 0.504 84 G N 1.205 110.063 108.800 0.097 0.000 2.313 84 G HA2 -0.244 4.078 3.960 0.603 0.000 0.215 84 G HA3 -0.244 4.078 3.960 0.603 0.000 0.215 84 G C 0.885 175.840 174.900 0.091 0.000 1.023 84 G CA 0.269 45.405 45.100 0.060 0.000 0.626 84 G HN 0.753 nan 8.290 nan 0.000 0.503 85 L N 0.986 122.279 121.223 0.118 0.000 2.376 85 L HA 0.001 4.702 4.340 0.603 0.000 0.219 85 L C 2.861 179.830 176.870 0.164 0.000 1.133 85 L CA 1.561 56.455 54.840 0.089 0.000 0.816 85 L CB -0.303 41.771 42.059 0.026 0.000 0.933 85 L HN 0.337 nan 8.230 nan 0.000 0.449 86 Q N -0.136 119.780 119.800 0.194 0.000 2.234 86 Q HA -0.182 4.520 4.340 0.603 0.000 0.206 86 Q C 1.932 178.042 176.000 0.184 0.000 0.980 86 Q CA 1.285 57.192 55.803 0.174 0.000 0.869 86 Q CB -0.255 28.516 28.738 0.055 0.000 0.912 86 Q HN 0.484 nan 8.270 nan 0.000 0.436 87 N N -0.103 118.691 118.700 0.156 0.000 2.120 87 N HA -0.123 4.978 4.740 0.603 0.000 0.188 87 N C 1.831 177.443 175.510 0.170 0.000 1.024 87 N CA 1.491 54.639 53.050 0.164 0.000 0.852 87 N CB -0.488 38.092 38.487 0.155 0.000 1.003 87 N HN 0.413 nan 8.380 nan 0.000 0.424 88 G N 0.631 109.504 108.800 0.122 0.000 2.421 88 G HA2 -0.255 4.067 3.960 0.603 0.000 0.216 88 G HA3 -0.255 4.067 3.960 0.603 0.000 0.216 88 G C 1.407 176.372 174.900 0.108 0.000 1.171 88 G CA 0.288 45.425 45.100 0.061 0.000 0.775 88 G HN 0.281 nan 8.290 nan 0.000 0.543 89 F N 1.423 121.382 119.950 0.015 0.000 2.171 89 F HA -0.009 4.880 4.527 0.603 0.000 0.300 89 F C 2.549 178.391 175.800 0.070 0.000 1.090 89 F CA 1.600 59.647 58.000 0.078 0.000 1.293 89 F CB 0.166 39.272 39.000 0.176 0.000 1.013 89 F HN -0.049 nan 8.300 nan 0.000 0.486 90 K N -0.009 120.503 120.400 0.187 0.000 2.097 90 K HA -0.141 4.541 4.320 0.603 0.000 0.205 90 K C 1.853 178.400 176.600 -0.089 0.000 1.050 90 K CA 1.295 57.616 56.287 0.056 0.000 0.938 90 K CB -1.293 31.265 32.500 0.096 0.000 0.718 90 K HN 0.378 nan 8.250 nan 0.000 0.442 91 F N 1.099 120.874 119.950 -0.292 0.000 2.095 91 F HA -0.161 4.729 4.527 0.604 0.000 0.298 91 F C 1.510 177.095 175.800 -0.359 0.000 1.104 91 F CA 1.502 59.196 58.000 -0.510 0.000 1.232 91 F CB -0.139 38.377 39.000 -0.808 0.000 0.987 91 F HN -0.083 nan 8.300 nan 0.000 0.475 92 L N -0.103 121.075 121.223 -0.075 0.000 2.478 92 L HA -0.071 4.631 4.340 0.603 0.000 0.223 92 L C 2.174 178.886 176.870 -0.264 0.000 1.140 92 L CA 0.541 55.292 54.840 -0.148 0.000 0.842 92 L CB -0.640 41.370 42.059 -0.081 0.000 0.953 92 L HN 0.209 nan 8.230 nan 0.000 0.452 93 E N 0.804 120.816 120.200 -0.313 0.000 2.038 93 E HA -0.214 4.498 4.350 0.603 0.000 0.195 93 E C -0.599 175.889 176.600 -0.187 0.000 1.000 93 E CA 1.501 57.747 56.400 -0.257 0.000 0.803 93 E CB -0.899 28.676 29.700 -0.208 0.000 0.750 93 E HN 0.452 nan 8.360 nan 0.000 0.448 94 P HA -0.126 nan 4.420 nan 0.000 0.218 94 P C 1.413 178.606 177.300 -0.179 0.000 1.149 94 P CA 1.051 64.028 63.100 -0.206 0.000 0.817 94 P CB -0.072 31.475 31.700 -0.255 0.000 0.785 95 I N -0.326 120.131 120.570 -0.187 0.000 2.226 95 I HA -0.214 4.318 4.170 0.603 0.000 0.245 95 I C 2.601 178.733 176.117 0.024 0.000 1.100 95 I CA 1.591 62.851 61.300 -0.065 0.000 1.374 95 I CB -1.990 35.933 38.000 -0.128 0.000 1.057 95 I HN 0.128 nan 8.210 nan 0.000 0.413 96 H N 0.926 119.894 119.070 -0.170 0.000 2.389 96 H HA -0.152 4.766 4.556 0.603 0.000 0.299 96 H C 2.386 177.604 175.328 -0.183 0.000 1.081 96 H CA 1.180 57.114 56.048 -0.190 0.000 1.345 96 H CB 0.364 29.995 29.762 -0.219 0.000 1.393 96 H HN 0.177 nan 8.280 nan 0.000 0.520 97 K N 0.896 121.252 120.400 -0.073 0.000 2.097 97 K HA -0.191 4.491 4.320 0.603 0.000 0.206 97 K C 2.058 178.540 176.600 -0.197 0.000 1.049 97 K CA 1.680 57.880 56.287 -0.145 0.000 0.933 97 K CB 0.047 32.464 32.500 -0.139 0.000 0.717 97 K HN 0.374 nan 8.250 nan 0.000 0.442 98 E N -0.708 119.328 120.200 -0.272 0.000 2.152 98 E HA -0.097 4.615 4.350 0.603 0.000 0.192 98 E C -0.354 175.800 176.600 -0.742 0.000 0.983 98 E CA 0.622 56.693 56.400 -0.547 0.000 0.818 98 E CB 0.207 29.457 29.700 -0.751 0.000 0.758 98 E HN 0.226 nan 8.360 nan 0.000 0.467 99 F N 0.493 120.312 119.950 -0.219 0.000 2.523 99 F HA 0.312 5.201 4.527 0.603 0.000 0.322 99 F C -1.943 173.535 175.800 -0.536 0.000 1.361 99 F CA -1.940 55.777 58.000 -0.472 0.000 1.151 99 F CB 1.639 40.208 39.000 -0.719 0.000 1.391 99 F HN -0.010 nan 8.300 nan 0.000 0.566 100 P HA -0.129 nan 4.420 nan 0.000 0.230 100 P C 1.354 178.638 177.300 -0.026 0.000 1.158 100 P CA 1.006 64.040 63.100 -0.110 0.000 0.769 100 P CB -0.090 31.559 31.700 -0.086 0.000 0.807 101 W N -0.437 120.919 121.300 0.093 0.000 2.678 101 W HA 0.195 5.217 4.660 0.604 0.000 0.256 101 W C 0.689 177.274 176.519 0.111 0.000 1.280 101 W CA -0.488 56.901 57.345 0.074 0.000 1.345 101 W CB -1.198 28.285 29.460 0.038 0.000 1.118 101 W HN -0.145 nan 8.180 nan 0.000 0.629 102 I N 3.728 124.076 120.570 -0.370 0.000 2.575 102 I HA 0.048 4.580 4.170 0.603 0.000 0.285 102 I C 1.158 177.292 176.117 0.029 0.000 1.085 102 I CA -0.119 61.061 61.300 -0.200 0.000 1.403 102 I CB 1.175 38.791 38.000 -0.641 0.000 1.409 102 I HN -0.105 nan 8.210 nan 0.000 0.557 103 S N 4.260 120.009 115.700 0.080 0.000 2.600 103 S HA 0.132 4.964 4.470 0.603 0.000 0.265 103 S C 0.973 175.460 174.600 -0.189 0.000 1.325 103 S CA -0.308 57.896 58.200 0.006 0.000 1.002 103 S CB 1.573 64.763 63.200 -0.018 0.000 0.921 103 S HN 0.735 nan 8.310 nan 0.000 0.554 104 S N 1.855 117.420 115.700 -0.225 0.000 2.368 104 S HA 0.011 4.843 4.470 0.603 0.000 0.225 104 S C 2.112 176.188 174.600 -0.873 0.000 1.030 104 S CA 1.264 59.095 58.200 -0.615 0.000 0.999 104 S CB -1.171 61.812 63.200 -0.362 0.000 0.844 104 S HN 0.950 nan 8.310 nan 0.000 0.459 105 G N 1.538 110.121 108.800 -0.363 0.000 2.418 105 G HA2 -0.209 4.112 3.960 0.603 0.000 0.217 105 G HA3 -0.209 4.112 3.960 0.603 0.000 0.217 105 G C 1.027 175.905 174.900 -0.037 0.000 1.158 105 G CA 0.991 46.013 45.100 -0.130 0.000 0.771 105 G HN 0.370 nan 8.290 nan 0.000 0.545 106 D N -0.051 120.347 120.400 -0.003 0.000 2.117 106 D HA -0.081 4.921 4.640 0.603 0.000 0.197 106 D C 2.353 178.734 176.300 0.135 0.000 0.987 106 D CA 0.429 54.602 54.000 0.288 0.000 0.829 106 D CB -0.277 40.770 40.800 0.412 0.000 0.961 106 D HN 0.214 nan 8.370 nan 0.000 0.460 107 L N -0.171 120.925 121.223 -0.210 0.000 2.027 107 L HA -0.064 4.638 4.340 0.603 0.000 0.206 107 L C 2.056 178.847 176.870 -0.132 0.000 1.074 107 L CA 1.504 56.147 54.840 -0.329 0.000 0.745 107 L CB -0.786 40.877 42.059 -0.659 0.000 0.898 107 L HN 0.033 nan 8.230 nan 0.000 0.433 108 F N -0.679 119.245 119.950 -0.043 0.000 2.171 108 F HA -0.216 4.674 4.527 0.605 0.000 0.300 108 F C 2.667 178.486 175.800 0.031 0.000 1.090 108 F CA 0.832 58.824 58.000 -0.013 0.000 1.293 108 F CB -0.669 38.346 39.000 0.025 0.000 1.013 108 F HN 0.298 nan 8.300 nan 0.000 0.486 109 S N 0.489 116.353 115.700 0.273 0.000 2.395 109 S HA -0.147 4.685 4.470 0.603 0.000 0.225 109 S C 1.830 176.539 174.600 0.182 0.000 1.027 109 S CA 0.644 59.009 58.200 0.276 0.000 0.965 109 S CB -0.833 62.591 63.200 0.374 0.000 0.812 109 S HN 0.284 nan 8.310 nan 0.000 0.482 110 L N 2.939 124.152 121.223 -0.016 0.000 2.131 110 L HA 0.184 4.886 4.340 0.603 0.000 0.210 110 L C 2.392 179.111 176.870 -0.251 0.000 1.092 110 L CA 1.768 56.321 54.840 -0.478 0.000 0.759 110 L CB -1.431 40.143 42.059 -0.809 0.000 0.903 110 L HN 0.398 nan 8.230 nan 0.000 0.435 111 G N -0.975 107.750 108.800 -0.124 0.000 2.440 111 G HA2 -0.259 4.062 3.960 0.603 0.000 0.218 111 G HA3 -0.259 4.062 3.960 0.603 0.000 0.218 111 G C 1.505 176.380 174.900 -0.041 0.000 1.154 111 G CA 0.668 45.710 45.100 -0.096 0.000 0.767 111 G HN 0.584 nan 8.290 nan 0.000 0.552 112 G N 0.186 109.043 108.800 0.094 0.000 2.402 112 G HA2 -0.087 4.235 3.960 0.603 0.000 0.216 112 G HA3 -0.087 4.235 3.960 0.603 0.000 0.216 112 G C 1.789 176.839 174.900 0.249 0.000 1.162 112 G CA 1.111 46.355 45.100 0.241 0.000 0.777 112 G HN 0.315 nan 8.290 nan 0.000 0.539 113 V N 1.171 121.241 119.914 0.259 0.000 2.287 113 V HA -0.214 4.268 4.120 0.603 0.000 0.248 113 V C 3.184 179.338 176.094 0.100 0.000 1.053 113 V CA 2.447 64.888 62.300 0.236 0.000 1.027 113 V CB -1.020 30.943 31.823 0.234 0.000 0.646 113 V HN 0.393 nan 8.190 nan 0.000 0.447 114 T N 0.370 114.886 114.554 -0.064 0.000 2.684 114 T HA -0.214 4.498 4.350 0.603 0.000 0.267 114 T C 2.061 176.624 174.700 -0.227 0.000 1.036 114 T CA 1.748 63.643 62.100 -0.341 0.000 1.148 114 T CB -0.515 67.946 68.868 -0.679 0.000 0.863 114 T HN 0.589 nan 8.240 nan 0.000 0.436 115 A N 1.035 123.760 122.820 -0.159 0.000 1.865 115 A HA -0.090 4.592 4.320 0.603 0.000 0.217 115 A C 2.622 180.148 177.584 -0.097 0.000 1.191 115 A CA 1.695 53.660 52.037 -0.120 0.000 0.623 115 A CB -1.161 17.783 19.000 -0.094 0.000 0.826 115 A HN 0.350 nan 8.150 nan 0.000 0.444 116 V N 0.083 119.920 119.914 -0.129 0.000 2.287 116 V HA -0.340 4.142 4.120 0.603 0.000 0.248 116 V C 2.693 178.635 176.094 -0.252 0.000 1.053 116 V CA 2.347 64.469 62.300 -0.297 0.000 1.027 116 V CB -0.964 30.561 31.823 -0.497 0.000 0.646 116 V HN 0.643 nan 8.190 nan 0.000 0.447 117 Q N -0.711 119.026 119.800 -0.105 0.000 2.079 117 Q HA -0.187 4.515 4.340 0.603 0.000 0.200 117 Q C 2.323 178.347 176.000 0.040 0.000 0.974 117 Q CA 1.284 57.084 55.803 -0.005 0.000 0.840 117 Q CB -0.194 28.660 28.738 0.193 0.000 0.898 117 Q HN 0.606 nan 8.270 nan 0.000 0.430 118 E N 0.455 120.674 120.200 0.031 0.000 2.204 118 E HA -0.081 4.630 4.350 0.603 0.000 0.194 118 E C 1.533 178.155 176.600 0.036 0.000 0.989 118 E CA 0.815 57.237 56.400 0.036 0.000 0.824 118 E CB -0.031 29.655 29.700 -0.023 0.000 0.756 118 E HN 0.447 nan 8.360 nan 0.000 0.477 119 M N 0.148 119.760 119.600 0.020 0.000 2.639 119 M HA -0.004 4.838 4.480 0.603 0.000 0.220 119 M C -0.202 176.157 176.300 0.098 0.000 1.155 119 M CA 0.442 55.778 55.300 0.061 0.000 1.003 119 M CB -0.075 32.569 32.600 0.074 0.000 1.725 119 M HN -0.017 nan 8.290 nan 0.000 0.489 120 Q N -1.379 118.467 119.800 0.077 0.000 2.493 120 Q HA -0.127 4.574 4.340 0.603 0.000 0.260 120 Q C 0.465 176.561 176.000 0.159 0.000 0.905 120 Q CA 0.237 56.115 55.803 0.126 0.000 1.140 120 Q CB -2.276 26.558 28.738 0.160 0.000 1.435 120 Q HN 0.737 nan 8.270 nan 0.000 0.581 121 G N 1.100 109.844 108.800 -0.094 0.000 2.535 121 G HA2 0.512 4.834 3.960 0.603 0.000 0.282 121 G HA3 0.512 4.834 3.960 0.603 0.000 0.282 121 G C -2.217 172.288 174.900 -0.658 0.000 1.350 121 G CA -0.757 43.956 45.100 -0.646 0.000 1.039 121 G HN 0.030 nan 8.290 nan 0.000 0.509 122 P HA 0.192 nan 4.420 nan 0.000 0.274 122 P C -0.587 176.562 177.300 -0.253 0.000 1.237 122 P CA -0.478 62.327 63.100 -0.491 0.000 0.793 122 P CB 0.792 32.164 31.700 -0.546 0.000 0.977 123 K N 1.592 121.944 120.400 -0.080 0.000 2.436 123 K HA 0.230 4.911 4.320 0.603 0.000 0.275 123 K C 0.175 176.760 176.600 -0.025 0.000 0.999 123 K CA 0.005 56.276 56.287 -0.026 0.000 0.980 123 K CB 0.000 32.502 32.500 0.002 0.000 0.919 123 K HN 0.393 nan 8.250 nan 0.000 0.484 124 I N 4.872 125.466 120.570 0.040 0.000 2.420 124 I HA 0.245 4.777 4.170 0.603 0.000 0.282 124 I C -2.342 173.847 176.117 0.120 0.000 1.019 124 I CA -3.177 58.176 61.300 0.087 0.000 1.130 124 I CB 0.990 39.107 38.000 0.195 0.000 1.262 124 I HN 0.152 nan 8.210 nan 0.000 0.454 125 P HA 0.060 nan 4.420 nan 0.000 0.268 125 P C -1.027 176.330 177.300 0.096 0.000 1.205 125 P CA 0.193 63.299 63.100 0.010 0.000 0.771 125 P CB 0.573 32.222 31.700 -0.084 0.000 0.858 126 W N 4.100 125.330 121.300 -0.117 0.000 2.998 126 W HA 0.481 5.500 4.660 0.598 0.000 0.335 126 W C -1.096 175.312 176.519 -0.186 0.000 1.110 126 W CA -0.644 56.669 57.345 -0.053 0.000 1.230 126 W CB 1.703 31.280 29.460 0.195 0.000 1.405 126 W HN 0.213 nan 8.180 nan 0.000 0.493 127 R N 4.325 124.170 120.500 -1.092 0.000 2.637 127 R HA 0.604 5.306 4.340 0.603 0.000 0.291 127 R C -0.094 175.239 176.300 -1.613 0.000 0.963 127 R CA -0.748 54.653 56.100 -1.165 0.000 0.901 127 R CB 1.273 30.998 30.300 -0.957 0.000 1.160 127 R HN 0.665 nan 8.270 nan 0.000 0.457 128 C N -0.613 117.975 119.300 -1.186 0.000 2.396 128 C HA 0.894 5.716 4.460 0.603 0.000 0.359 128 C C 1.352 176.199 174.990 -0.237 0.000 1.307 128 C CA 0.473 59.009 59.018 -0.803 0.000 2.392 128 C CB 0.478 27.900 27.740 -0.531 0.000 2.245 128 C HN 1.048 nan 8.230 nan 0.000 0.615 129 G N 0.413 109.184 108.800 -0.048 0.000 2.175 129 G HA2 -0.115 4.206 3.960 0.603 0.000 0.182 129 G HA3 -0.115 4.206 3.960 0.603 0.000 0.182 129 G C -0.004 174.845 174.900 -0.085 0.000 1.003 129 G CA -0.257 44.849 45.100 0.010 0.000 0.666 129 G HN 0.977 nan 8.290 nan 0.000 0.506 130 R N -0.176 120.226 120.500 -0.164 0.000 2.679 130 R HA 0.455 5.157 4.340 0.603 0.000 0.268 130 R C -0.138 175.851 176.300 -0.519 0.000 1.044 130 R CA 0.216 56.041 56.100 -0.458 0.000 1.105 130 R CB 1.085 31.215 30.300 -0.283 0.000 0.989 130 R HN 0.104 nan 8.270 nan 0.000 0.447 131 V N 2.639 121.933 119.914 -1.034 0.000 2.588 131 V HA 0.092 4.574 4.120 0.603 0.000 0.304 131 V C -0.564 175.287 176.094 -0.404 0.000 1.042 131 V CA -1.027 60.962 62.300 -0.517 0.000 0.877 131 V CB 1.965 33.618 31.823 -0.284 0.000 0.996 131 V HN 0.671 nan 8.190 nan 0.000 0.425 132 D N 3.149 123.463 120.400 -0.144 0.000 2.488 132 D HA 0.341 5.343 4.640 0.603 0.000 0.238 132 D C 0.526 176.861 176.300 0.059 0.000 1.138 132 D CA 0.549 54.537 54.000 -0.019 0.000 0.873 132 D CB 1.025 41.852 40.800 0.046 0.000 1.183 132 D HN 0.801 nan 8.370 nan 0.000 0.458 133 T N -0.797 113.842 114.554 0.142 0.000 2.932 133 T HA 0.716 5.427 4.350 0.603 0.000 0.289 133 T C -2.708 172.136 174.700 0.240 0.000 1.039 133 T CA -2.114 60.093 62.100 0.178 0.000 1.024 133 T CB 1.884 70.860 68.868 0.180 0.000 1.090 133 T HN -0.042 nan 8.240 nan 0.000 0.496 134 P HA 0.299 nan 4.420 nan 0.000 0.274 134 P C 0.814 177.930 177.300 -0.307 0.000 1.256 134 P CA -0.498 62.614 63.100 0.020 0.000 0.795 134 P CB 0.529 32.222 31.700 -0.012 0.000 1.038 135 E N 0.797 120.441 120.200 -0.926 0.000 2.187 135 E HA -0.287 4.424 4.350 0.603 0.000 0.199 135 E C 1.020 177.288 176.600 -0.552 0.000 1.004 135 E CA 1.755 57.294 56.400 -1.435 0.000 0.813 135 E CB -0.206 28.797 29.700 -1.161 0.000 0.736 135 E HN 0.501 nan 8.360 nan 0.000 0.468 136 D N -0.831 119.391 120.400 -0.297 0.000 2.371 136 D HA -0.115 4.887 4.640 0.603 0.000 0.221 136 D C 1.548 177.802 176.300 -0.076 0.000 0.986 136 D CA 1.323 55.232 54.000 -0.152 0.000 0.899 136 D CB -0.515 40.227 40.800 -0.096 0.000 0.902 136 D HN 0.239 nan 8.370 nan 0.000 0.530 137 T N -3.657 110.868 114.554 -0.049 0.000 3.107 137 T HA 0.060 4.771 4.350 0.603 0.000 0.249 137 T C 0.690 175.433 174.700 0.071 0.000 1.096 137 T CA -0.336 61.792 62.100 0.046 0.000 1.012 137 T CB -0.749 68.191 68.868 0.120 0.000 0.977 137 T HN -0.084 nan 8.240 nan 0.000 0.527 138 T N 5.830 120.398 114.554 0.024 0.000 2.853 138 T HA 0.272 4.983 4.350 0.603 0.000 0.298 138 T C -2.350 172.383 174.700 0.056 0.000 0.978 138 T CA -0.845 61.302 62.100 0.079 0.000 1.152 138 T CB 0.763 69.661 68.868 0.051 0.000 0.914 138 T HN 0.322 nan 8.240 nan 0.000 0.539 139 P HA 0.215 nan 4.420 nan 0.000 0.275 139 P C -0.339 176.979 177.300 0.031 0.000 1.228 139 P CA -0.548 62.587 63.100 0.058 0.000 0.786 139 P CB 0.687 32.434 31.700 0.079 0.000 0.927 140 D N 1.505 121.914 120.400 0.014 0.000 2.378 140 D HA 0.046 5.048 4.640 0.603 0.000 0.238 140 D C 0.580 176.886 176.300 0.009 0.000 1.180 140 D CA 0.448 54.450 54.000 0.003 0.000 0.895 140 D CB 0.117 40.917 40.800 -0.000 0.000 1.192 140 D HN 0.286 nan 8.370 nan 0.000 0.438 141 N N -0.230 118.472 118.700 0.003 0.000 2.381 141 N HA 0.322 5.423 4.740 0.603 0.000 0.241 141 N C 1.302 176.825 175.510 0.021 0.000 1.279 141 N CA 0.837 53.893 53.050 0.010 0.000 0.896 141 N CB 0.643 39.134 38.487 0.007 0.000 1.118 141 N HN 0.610 nan 8.380 nan 0.000 0.438 142 G N -0.015 108.803 108.800 0.029 0.000 2.184 142 G HA2 -0.246 4.076 3.960 0.603 0.000 0.206 142 G HA3 -0.246 4.076 3.960 0.603 0.000 0.206 142 G C 0.851 175.799 174.900 0.081 0.000 0.995 142 G CA -0.102 45.030 45.100 0.053 0.000 0.651 142 G HN 0.541 nan 8.290 nan 0.000 0.511 143 R N -0.462 120.074 120.500 0.060 0.000 2.280 143 R HA 0.404 5.106 4.340 0.603 0.000 0.195 143 R C 0.945 177.354 176.300 0.181 0.000 0.935 143 R CA 0.082 56.238 56.100 0.093 0.000 1.033 143 R CB 0.195 30.516 30.300 0.035 0.000 0.964 143 R HN 0.382 nan 8.270 nan 0.000 0.489 144 L N 2.269 123.523 121.223 0.052 0.000 2.379 144 L HA 0.364 5.066 4.340 0.603 0.000 0.269 144 L C -1.987 174.836 176.870 -0.078 0.000 1.084 144 L CA -2.283 52.514 54.840 -0.072 0.000 0.802 144 L CB 0.764 42.559 42.059 -0.441 0.000 1.175 144 L HN -0.133 nan 8.230 nan 0.000 0.448 145 P HA 0.154 nan 4.420 nan 0.000 0.277 145 P C -1.391 175.887 177.300 -0.038 0.000 1.240 145 P CA -0.568 62.211 63.100 -0.534 0.000 0.798 145 P CB 0.914 31.938 31.700 -1.126 0.000 0.979 146 D N 0.776 121.226 120.400 0.083 0.000 2.339 146 D HA 0.261 5.263 4.640 0.603 0.000 0.245 146 D C 0.948 177.262 176.300 0.023 0.000 1.115 146 D CA -0.212 53.797 54.000 0.015 0.000 0.917 146 D CB 1.010 41.721 40.800 -0.149 0.000 1.192 146 D HN 0.358 nan 8.370 nan 0.000 0.428 147 A N 1.305 124.161 122.820 0.060 0.000 2.303 147 A HA -0.030 4.652 4.320 0.603 0.000 0.217 147 A C 1.040 178.637 177.584 0.021 0.000 1.205 147 A CA 0.003 52.057 52.037 0.029 0.000 0.875 147 A CB 0.115 19.039 19.000 -0.127 0.000 0.910 147 A HN 0.500 nan 8.150 nan 0.000 0.501 148 D N -0.289 120.139 120.400 0.047 0.000 2.328 148 D HA 0.045 5.047 4.640 0.603 0.000 0.221 148 D C 0.431 176.746 176.300 0.025 0.000 1.072 148 D CA 0.227 54.279 54.000 0.086 0.000 0.850 148 D CB 0.179 41.045 40.800 0.111 0.000 0.922 148 D HN 0.151 nan 8.370 nan 0.000 0.516 149 K N 0.640 121.012 120.400 -0.047 0.000 2.502 149 K HA 0.308 4.989 4.320 0.603 0.000 0.252 149 K C 0.207 176.889 176.600 0.137 0.000 1.043 149 K CA -0.541 55.717 56.287 -0.050 0.000 0.999 149 K CB 0.685 32.913 32.500 -0.455 0.000 1.343 149 K HN 0.115 nan 8.250 nan 0.000 0.513 150 D N -1.691 118.830 120.400 0.203 0.000 2.569 150 D HA 0.327 5.329 4.640 0.603 0.000 0.266 150 D C 0.689 177.183 176.300 0.322 0.000 1.164 150 D CA -0.631 53.517 54.000 0.247 0.000 1.071 150 D CB 0.364 41.285 40.800 0.202 0.000 1.183 150 D HN 0.338 nan 8.370 nan 0.000 0.613 151 A N -0.198 122.800 122.820 0.295 0.000 1.972 151 A HA -0.181 4.500 4.320 0.603 0.000 0.219 151 A C 1.537 179.317 177.584 0.327 0.000 1.169 151 A CA 1.702 53.964 52.037 0.376 0.000 0.635 151 A CB -0.758 18.430 19.000 0.312 0.000 0.810 151 A HN 0.559 nan 8.150 nan 0.000 0.446 152 D N -1.583 118.961 120.400 0.239 0.000 2.117 152 D HA -0.157 4.845 4.640 0.603 0.000 0.198 152 D C 1.656 178.109 176.300 0.255 0.000 0.982 152 D CA 1.541 55.658 54.000 0.196 0.000 0.828 152 D CB -0.509 40.385 40.800 0.157 0.000 0.967 152 D HN 0.623 nan 8.370 nan 0.000 0.464 153 Y N 1.730 122.143 120.300 0.189 0.000 2.128 153 Y HA -0.246 4.658 4.550 0.590 0.000 0.284 153 Y C 2.194 178.268 175.900 0.290 0.000 1.154 153 Y CA 1.253 59.478 58.100 0.208 0.000 1.149 153 Y CB -0.379 38.186 38.460 0.175 0.000 0.976 153 Y HN -0.206 nan 8.280 nan 0.000 0.505 154 V N 0.918 121.042 119.914 0.349 0.000 2.358 154 V HA -0.288 4.194 4.120 0.603 0.000 0.246 154 V C 2.559 178.918 176.094 0.442 0.000 1.047 154 V CA 2.264 64.790 62.300 0.375 0.000 1.035 154 V CB -0.735 31.358 31.823 0.450 0.000 0.658 154 V HN 0.374 nan 8.190 nan 0.000 0.452 155 R N -0.193 120.550 120.500 0.405 0.000 2.073 155 R HA -0.168 4.533 4.340 0.603 0.000 0.234 155 R C 2.373 178.814 176.300 0.234 0.000 1.134 155 R CA 2.204 58.514 56.100 0.350 0.000 0.952 155 R CB -0.513 29.904 30.300 0.196 0.000 0.850 155 R HN 0.510 nan 8.270 nan 0.000 0.433 156 T N 0.758 115.397 114.554 0.142 0.000 2.746 156 T HA -0.155 4.557 4.350 0.603 0.000 0.267 156 T C 1.319 176.020 174.700 0.003 0.000 1.039 156 T CA 1.432 63.571 62.100 0.064 0.000 1.142 156 T CB -0.405 68.491 68.868 0.047 0.000 0.866 156 T HN 0.278 nan 8.240 nan 0.000 0.444 157 F N 1.222 121.041 119.950 -0.218 0.000 2.063 157 F HA -0.163 4.313 4.527 -0.085 0.000 0.298 157 F C 1.705 177.404 175.800 -0.168 0.000 1.109 157 F CA 1.452 59.258 58.000 -0.324 0.000 1.212 157 F CB -0.569 38.068 39.000 -0.604 0.000 0.973 157 F HN 0.139 nan 8.300 nan 0.000 0.480 158 F N 0.480 120.471 119.950 0.068 0.000 2.502 158 F HA -0.098 4.867 4.527 0.729 0.000 0.298 158 F C 2.346 178.132 175.800 -0.023 0.000 1.111 158 F CA 0.852 58.883 58.000 0.052 0.000 1.445 158 F CB -0.493 38.629 39.000 0.203 0.000 1.081 158 F HN 0.072 nan 8.300 nan 0.000 0.558 159 Q N -0.203 119.660 119.800 0.105 0.000 2.234 159 Q HA -0.229 4.472 4.340 0.603 0.000 0.206 159 Q C 2.237 178.203 176.000 -0.057 0.000 0.980 159 Q CA 1.081 56.912 55.803 0.046 0.000 0.869 159 Q CB -0.236 28.525 28.738 0.038 0.000 0.912 159 Q HN 0.360 nan 8.270 nan 0.000 0.436 160 R N 0.506 120.903 120.500 -0.171 0.000 2.148 160 R HA -0.068 4.633 4.340 0.603 0.000 0.227 160 R C 1.220 177.369 176.300 -0.252 0.000 1.103 160 R CA 0.774 56.715 56.100 -0.264 0.000 0.983 160 R CB 0.105 30.190 30.300 -0.358 0.000 0.874 160 R HN 0.255 nan 8.270 nan 0.000 0.451 161 L N 0.664 121.862 121.223 -0.042 0.000 2.653 161 L HA 0.107 4.809 4.340 0.603 0.000 0.231 161 L C 0.158 177.277 176.870 0.415 0.000 1.153 161 L CA -0.231 54.790 54.840 0.301 0.000 0.933 161 L CB -0.090 42.199 42.059 0.383 0.000 1.175 161 L HN 0.222 nan 8.230 nan 0.000 0.473 162 N N 0.989 119.818 118.700 0.215 0.000 2.735 162 N HA -0.189 4.912 4.740 0.603 0.000 0.248 162 N C -0.501 175.120 175.510 0.184 0.000 1.083 162 N CA 0.776 53.943 53.050 0.195 0.000 0.703 162 N CB -0.369 38.285 38.487 0.280 0.000 1.005 162 N HN 0.106 nan 8.380 nan 0.000 0.550 163 M N 0.494 120.217 119.600 0.205 0.000 2.364 163 M HA 0.353 5.194 4.480 0.603 0.000 0.334 163 M C 0.733 177.111 176.300 0.131 0.000 1.107 163 M CA -0.725 54.670 55.300 0.158 0.000 0.988 163 M CB 1.454 34.154 32.600 0.166 0.000 1.673 163 M HN 0.326 nan 8.290 nan 0.000 0.441 164 N N 0.939 119.691 118.700 0.087 0.000 2.538 164 N HA 0.256 5.357 4.740 0.603 0.000 0.292 164 N C 0.084 175.657 175.510 0.105 0.000 1.262 164 N CA -0.364 52.740 53.050 0.089 0.000 0.976 164 N CB 0.397 38.924 38.487 0.066 0.000 1.161 164 N HN 0.358 nan 8.380 nan 0.000 0.598 165 D N -0.431 120.046 120.400 0.129 0.000 2.117 165 D HA -0.080 4.922 4.640 0.603 0.000 0.197 165 D C 1.739 178.143 176.300 0.175 0.000 0.987 165 D CA 1.360 55.499 54.000 0.232 0.000 0.829 165 D CB -0.058 40.847 40.800 0.174 0.000 0.961 165 D HN 0.489 nan 8.370 nan 0.000 0.460 166 R N 0.534 121.101 120.500 0.111 0.000 2.075 166 R HA -0.068 4.634 4.340 0.603 0.000 0.232 166 R C 2.205 178.585 176.300 0.134 0.000 1.126 166 R CA 0.961 57.132 56.100 0.118 0.000 0.963 166 R CB -0.184 30.177 30.300 0.102 0.000 0.858 166 R HN 0.337 nan 8.270 nan 0.000 0.435 167 E N 0.253 120.492 120.200 0.065 0.000 2.110 167 E HA -0.144 4.568 4.350 0.603 0.000 0.193 167 E C 2.065 178.598 176.600 -0.111 0.000 0.988 167 E CA 1.190 57.591 56.400 0.001 0.000 0.804 167 E CB 0.016 29.711 29.700 -0.008 0.000 0.745 167 E HN 0.079 nan 8.360 nan 0.000 0.458 168 V N 0.800 120.604 119.914 -0.182 0.000 2.261 168 V HA -0.234 4.248 4.120 0.603 0.000 0.246 168 V C 2.303 178.202 176.094 -0.324 0.000 1.047 168 V CA 1.405 63.418 62.300 -0.479 0.000 1.015 168 V CB -0.299 31.278 31.823 -0.411 0.000 0.642 168 V HN 0.141 nan 8.190 nan 0.000 0.446 169 V N 0.199 120.047 119.914 -0.110 0.000 2.427 169 V HA -0.226 4.255 4.120 0.603 0.000 0.248 169 V C 2.672 178.938 176.094 0.287 0.000 1.051 169 V CA 1.839 64.166 62.300 0.045 0.000 1.048 169 V CB -1.142 30.751 31.823 0.116 0.000 0.666 169 V HN 0.553 nan 8.190 nan 0.000 0.456 170 A N 0.019 123.047 122.820 0.347 0.000 1.865 170 A HA -0.191 4.491 4.320 0.603 0.000 0.217 170 A C 2.219 180.025 177.584 0.371 0.000 1.191 170 A CA 1.945 54.203 52.037 0.368 0.000 0.623 170 A CB -0.636 18.494 19.000 0.216 0.000 0.826 170 A HN 0.490 nan 8.150 nan 0.000 0.444 171 L N -1.890 119.368 121.223 0.057 0.000 2.079 171 L HA -0.195 4.507 4.340 0.603 0.000 0.210 171 L C 2.684 179.448 176.870 -0.177 0.000 1.081 171 L CA 1.580 56.393 54.840 -0.046 0.000 0.752 171 L CB -0.361 41.517 42.059 -0.301 0.000 0.896 171 L HN 0.405 nan 8.230 nan 0.000 0.433 172 M N -0.072 119.318 119.600 -0.349 0.000 2.460 172 M HA -0.044 4.798 4.480 0.603 0.000 0.263 172 M C 1.901 177.522 176.300 -1.132 0.000 1.071 172 M CA 1.068 55.925 55.300 -0.740 0.000 1.096 172 M CB -0.530 31.731 32.600 -0.565 0.000 1.408 172 M HN 0.151 nan 8.290 nan 0.000 0.463 173 G N -0.899 107.535 108.800 -0.609 0.000 2.498 173 G HA2 -0.088 4.234 3.960 0.603 0.000 0.219 173 G HA3 -0.088 4.234 3.960 0.603 0.000 0.219 173 G C 1.463 175.880 174.900 -0.806 0.000 1.119 173 G CA 0.700 45.288 45.100 -0.855 0.000 0.766 173 G HN 0.598 nan 8.290 nan 0.000 0.552 174 A N -0.108 122.360 122.820 -0.587 0.000 2.172 174 A HA 0.005 4.687 4.320 0.603 0.000 0.216 174 A C 1.724 178.939 177.584 -0.615 0.000 1.154 174 A CA 0.840 52.561 52.037 -0.525 0.000 0.701 174 A CB -0.667 18.211 19.000 -0.205 0.000 0.789 174 A HN 0.619 nan 8.150 nan 0.000 0.465 175 H N -1.050 117.342 119.070 -1.131 0.000 2.556 175 H HA 0.164 5.080 4.556 0.599 0.000 0.268 175 H C 2.177 176.836 175.328 -1.114 0.000 0.996 175 H CA 0.034 55.144 56.048 -1.564 0.000 1.157 175 H CB 0.200 28.714 29.762 -2.080 0.000 1.355 175 H HN 0.607 nan 8.280 nan 0.000 0.597 176 A N 0.908 123.367 122.820 -0.602 0.000 1.972 176 A HA -0.080 4.601 4.320 0.603 0.000 0.219 176 A C 1.079 178.576 177.584 -0.145 0.000 1.169 176 A CA 0.647 52.510 52.037 -0.290 0.000 0.635 176 A CB -0.273 18.502 19.000 -0.376 0.000 0.810 176 A HN 0.229 nan 8.150 nan 0.000 0.446 177 L N -1.097 120.004 121.223 -0.204 0.000 2.350 177 L HA 0.526 5.228 4.340 0.603 0.000 0.275 177 L C 1.374 178.325 176.870 0.136 0.000 1.099 177 L CA 0.239 55.055 54.840 -0.040 0.000 0.808 177 L CB 0.563 42.590 42.059 -0.053 0.000 1.149 177 L HN 0.620 nan 8.230 nan 0.000 0.442 178 G N 2.637 111.530 108.800 0.155 0.000 2.547 178 G HA2 -0.249 4.073 3.960 0.603 0.000 0.271 178 G HA3 -0.249 4.073 3.960 0.603 0.000 0.271 178 G C -0.618 174.418 174.900 0.227 0.000 1.209 178 G CA 0.387 45.605 45.100 0.196 0.000 0.959 178 G HN 0.988 nan 8.290 nan 0.000 0.563 179 K N -1.794 118.694 120.400 0.146 0.000 2.658 179 K HA 0.635 5.317 4.320 0.603 0.000 0.293 179 K C -0.433 175.911 176.600 -0.426 0.000 1.026 179 K CA -0.214 55.927 56.287 -0.243 0.000 0.871 179 K CB 0.951 33.230 32.500 -0.368 0.000 1.524 179 K HN 1.381 nan 8.250 nan 0.000 0.400 180 T N -0.617 113.544 114.554 -0.655 0.000 2.889 180 T HA 0.389 5.101 4.350 0.603 0.000 0.291 180 T C -0.662 173.798 174.700 -0.400 0.000 0.995 180 T CA -0.389 61.491 62.100 -0.366 0.000 1.092 180 T CB 0.296 68.988 68.868 -0.294 0.000 0.954 180 T HN 0.590 nan 8.240 nan 0.000 0.506 181 H N 1.904 120.971 119.070 -0.006 0.000 2.646 181 H HA 0.408 5.325 4.556 0.600 0.000 0.328 181 H C 0.663 175.995 175.328 0.007 0.000 0.998 181 H CA -0.931 55.113 56.048 -0.007 0.000 1.225 181 H CB 1.489 31.253 29.762 0.003 0.000 1.457 181 H HN 0.445 nan 8.280 nan 0.000 0.505 182 L N 2.183 123.449 121.223 0.071 0.000 2.043 182 L HA -0.198 4.503 4.340 0.603 0.000 0.212 182 L C 1.853 178.742 176.870 0.032 0.000 1.075 182 L CA 1.837 56.690 54.840 0.021 0.000 0.752 182 L CB -0.161 41.890 42.059 -0.013 0.000 0.891 182 L HN 0.543 nan 8.230 nan 0.000 0.432 183 K N -0.779 119.652 120.400 0.053 0.000 2.288 183 K HA -0.061 4.620 4.320 0.603 0.000 0.201 183 K C 1.686 178.320 176.600 0.057 0.000 1.048 183 K CA 0.850 57.161 56.287 0.040 0.000 0.956 183 K CB -0.213 32.307 32.500 0.033 0.000 0.746 183 K HN 0.445 nan 8.250 nan 0.000 0.461 184 N N 0.164 118.922 118.700 0.095 0.000 2.251 184 N HA -0.071 5.030 4.740 0.603 0.000 0.181 184 N C 1.609 177.197 175.510 0.129 0.000 1.019 184 N CA 1.450 54.566 53.050 0.109 0.000 0.862 184 N CB 0.192 38.762 38.487 0.138 0.000 0.992 184 N HN 0.172 nan 8.380 nan 0.000 0.429 185 S N -2.505 113.285 115.700 0.150 0.000 2.687 185 S HA 0.378 5.210 4.470 0.603 0.000 0.247 185 S C 1.200 175.860 174.600 0.100 0.000 1.050 185 S CA 0.401 58.720 58.200 0.199 0.000 1.063 185 S CB 0.975 64.373 63.200 0.330 0.000 1.039 185 S HN 0.336 nan 8.310 nan 0.000 0.580 186 G N 0.463 109.242 108.800 -0.035 0.000 2.143 186 G HA2 -0.236 4.085 3.960 0.603 0.000 0.249 186 G HA3 -0.236 4.085 3.960 0.603 0.000 0.249 186 G C -0.304 174.234 174.900 -0.602 0.000 0.981 186 G CA 0.406 45.338 45.100 -0.281 0.000 0.665 186 G HN 0.573 nan 8.290 nan 0.000 0.528 187 Y N -0.562 119.732 120.300 -0.010 0.000 2.499 187 Y HA 0.708 5.618 4.550 0.601 0.000 0.347 187 Y C 0.103 175.943 175.900 -0.099 0.000 0.987 187 Y CA -1.209 56.858 58.100 -0.055 0.000 1.044 187 Y CB 2.233 40.657 38.460 -0.060 0.000 1.245 187 Y HN 0.167 nan 8.280 nan 0.000 0.461 188 E N 0.933 121.142 120.200 0.015 0.000 2.275 188 E HA 0.723 5.435 4.350 0.603 0.000 0.270 188 E C -0.676 175.839 176.600 -0.141 0.000 0.882 188 E CA -0.381 55.972 56.400 -0.079 0.000 0.758 188 E CB 1.868 31.535 29.700 -0.056 0.000 1.195 188 E HN 0.916 nan 8.360 nan 0.000 0.419 189 G N 3.663 112.323 108.800 -0.233 0.000 2.335 189 G HA2 0.119 4.441 3.960 0.603 0.000 0.592 189 G HA3 0.119 4.441 3.960 0.603 0.000 0.592 189 G C -3.087 171.597 174.900 -0.361 0.000 1.442 189 G CA -0.489 44.483 45.100 -0.214 0.000 0.976 189 G HN 0.484 nan 8.290 nan 0.000 0.652 190 P HA 0.312 nan 4.420 nan 0.000 0.278 190 P C 0.229 177.472 177.300 -0.095 0.000 1.266 190 P CA -0.555 62.456 63.100 -0.149 0.000 0.807 190 P CB 1.172 32.885 31.700 0.022 0.000 1.094 191 W N 0.077 121.372 121.300 -0.008 0.000 3.211 191 W HA 0.287 5.306 4.660 0.598 0.000 0.292 191 W C 0.788 177.170 176.519 -0.229 0.000 1.268 191 W CA 0.372 57.727 57.345 0.017 0.000 1.702 191 W CB 0.850 30.348 29.460 0.064 0.000 1.092 191 W HN 0.523 nan 8.180 nan 0.000 0.643 192 G N -1.454 107.193 108.800 -0.255 0.000 2.430 192 G HA2 0.374 4.696 3.960 0.603 0.000 0.300 192 G HA3 0.374 4.696 3.960 0.603 0.000 0.300 192 G C 0.025 174.627 174.900 -0.497 0.000 1.330 192 G CA -0.068 44.509 45.100 -0.870 0.000 0.813 192 G HN -0.146 nan 8.290 nan 0.000 0.487 193 A N -0.793 121.816 122.820 -0.353 0.000 1.903 193 A HA 0.609 5.291 4.320 0.603 0.000 0.213 193 A C 1.706 179.291 177.584 0.002 0.000 1.185 193 A CA 2.001 54.036 52.037 -0.004 0.000 0.628 193 A CB -0.441 18.619 19.000 0.100 0.000 0.830 193 A HN 2.025 nan 8.150 nan 0.000 0.446 194 A N 1.458 124.260 122.820 -0.029 0.000 2.621 194 A HA 0.460 5.142 4.320 0.603 0.000 0.329 194 A C 0.317 177.898 177.584 -0.006 0.000 1.458 194 A CA -0.243 51.795 52.037 0.001 0.000 1.052 194 A CB -0.432 18.572 19.000 0.007 0.000 1.142 194 A HN 0.527 nan 8.150 nan 0.000 0.523 195 N N 1.167 119.880 118.700 0.022 0.000 2.200 195 N HA -0.019 5.082 4.740 0.603 0.000 0.224 195 N C -0.145 175.393 175.510 0.046 0.000 1.179 195 N CA 0.076 53.146 53.050 0.033 0.000 0.877 195 N CB 0.094 38.622 38.487 0.068 0.000 1.072 195 N HN 0.522 nan 8.380 nan 0.000 0.519 196 N N -0.672 118.058 118.700 0.051 0.000 2.305 196 N HA 0.152 5.253 4.740 0.603 0.000 0.248 196 N C -1.317 174.235 175.510 0.070 0.000 1.290 196 N CA -0.466 52.622 53.050 0.063 0.000 0.873 196 N CB 0.445 38.978 38.487 0.075 0.000 1.261 196 N HN -0.086 nan 8.380 nan 0.000 0.504 197 V N 1.259 121.211 119.914 0.064 0.000 2.531 197 V HA 0.414 4.896 4.120 0.603 0.000 0.301 197 V C -0.989 175.166 176.094 0.102 0.000 1.034 197 V CA -0.988 61.369 62.300 0.095 0.000 0.865 197 V CB 1.714 33.590 31.823 0.089 0.000 0.995 197 V HN 0.206 nan 8.190 nan 0.000 0.424 198 F N 5.534 125.483 119.950 -0.002 0.000 2.466 198 F HA 0.525 5.411 4.527 0.599 0.000 0.363 198 F C 0.754 176.643 175.800 0.148 0.000 1.109 198 F CA 0.491 58.465 58.000 -0.043 0.000 1.161 198 F CB 0.531 39.399 39.000 -0.221 0.000 1.117 198 F HN 0.709 nan 8.300 nan 0.000 0.539 199 T N 1.299 115.817 114.554 -0.060 0.000 2.696 199 T HA 0.256 4.968 4.350 0.603 0.000 0.291 199 T C 0.130 174.887 174.700 0.094 0.000 1.095 199 T CA -0.849 61.358 62.100 0.177 0.000 1.026 199 T CB 1.290 70.211 68.868 0.089 0.000 1.390 199 T HN 0.452 nan 8.240 nan 0.000 0.513 200 N N -0.429 118.368 118.700 0.162 0.000 2.322 200 N HA 0.049 5.150 4.740 0.603 0.000 0.216 200 N C 0.889 176.377 175.510 -0.037 0.000 1.144 200 N CA -0.069 52.988 53.050 0.011 0.000 0.830 200 N CB -0.088 38.476 38.487 0.128 0.000 1.034 200 N HN 0.858 nan 8.380 nan 0.000 0.484 201 E N 0.103 120.259 120.200 -0.074 0.000 2.171 201 E HA -0.244 4.468 4.350 0.603 0.000 0.197 201 E C 1.064 177.601 176.600 -0.105 0.000 0.997 201 E CA 0.858 57.216 56.400 -0.071 0.000 0.810 201 E CB -0.206 29.444 29.700 -0.084 0.000 0.738 201 E HN 0.408 nan 8.360 nan 0.000 0.467 202 F N 0.276 119.972 119.950 -0.424 0.000 2.095 202 F HA -0.269 4.622 4.527 0.606 0.000 0.298 202 F C 1.557 177.096 175.800 -0.435 0.000 1.104 202 F CA 1.825 59.519 58.000 -0.511 0.000 1.232 202 F CB -0.462 38.010 39.000 -0.881 0.000 0.987 202 F HN 0.096 nan 8.300 nan 0.000 0.475 203 Y N -0.116 120.104 120.300 -0.132 0.000 2.200 203 Y HA -0.168 4.742 4.550 0.601 0.000 0.290 203 Y C 2.386 178.204 175.900 -0.136 0.000 1.137 203 Y CA 1.267 59.260 58.100 -0.179 0.000 1.163 203 Y CB -0.812 37.591 38.460 -0.095 0.000 0.988 203 Y HN 0.025 nan 8.280 nan 0.000 0.518 204 L N -0.033 121.223 121.223 0.055 0.000 2.046 204 L HA -0.254 4.448 4.340 0.603 0.000 0.208 204 L C 1.949 178.843 176.870 0.040 0.000 1.077 204 L CA 1.226 56.090 54.840 0.040 0.000 0.747 204 L CB -0.488 41.592 42.059 0.035 0.000 0.896 204 L HN 0.264 nan 8.230 nan 0.000 0.432 205 N N -0.227 118.487 118.700 0.024 0.000 2.216 205 N HA -0.100 5.002 4.740 0.603 0.000 0.183 205 N C 1.922 177.628 175.510 0.328 0.000 1.017 205 N CA 0.979 54.125 53.050 0.159 0.000 0.861 205 N CB -0.264 38.336 38.487 0.187 0.000 0.986 205 N HN 0.237 nan 8.380 nan 0.000 0.428 206 L N 0.339 121.592 121.223 0.050 0.000 2.042 206 L HA -0.122 4.579 4.340 0.603 0.000 0.210 206 L C 1.860 178.830 176.870 0.166 0.000 1.076 206 L CA 1.000 55.843 54.840 0.006 0.000 0.749 206 L CB -0.239 41.575 42.059 -0.408 0.000 0.893 206 L HN 0.160 nan 8.230 nan 0.000 0.432 207 L N -1.415 119.849 121.223 0.069 0.000 2.270 207 L HA -0.066 4.636 4.340 0.603 0.000 0.210 207 L C 1.569 178.485 176.870 0.075 0.000 1.104 207 L CA 1.017 55.888 54.840 0.051 0.000 0.804 207 L CB -0.235 41.832 42.059 0.014 0.000 0.937 207 L HN 0.320 nan 8.230 nan 0.000 0.450 208 N N -1.786 116.960 118.700 0.076 0.000 2.332 208 N HA 0.038 5.140 4.740 0.603 0.000 0.190 208 N C 0.209 175.683 175.510 -0.060 0.000 1.117 208 N CA -0.276 52.783 53.050 0.015 0.000 0.883 208 N CB 0.806 39.300 38.487 0.013 0.000 1.089 208 N HN 0.115 nan 8.380 nan 0.000 0.480 209 E N 1.333 121.449 120.200 -0.140 0.000 2.392 209 E HA 0.050 4.762 4.350 0.603 0.000 0.256 209 E C -0.491 175.773 176.600 -0.560 0.000 1.145 209 E CA 0.000 56.111 56.400 -0.483 0.000 0.929 209 E CB 0.547 29.636 29.700 -1.018 0.000 0.998 209 E HN 0.069 nan 8.360 nan 0.000 0.442 210 N N 1.742 120.145 118.700 -0.494 0.000 2.469 210 N HA 0.056 5.157 4.740 0.603 0.000 0.239 210 N C -1.421 173.927 175.510 -0.271 0.000 1.053 210 N CA -0.270 52.620 53.050 -0.268 0.000 0.937 210 N CB 0.055 38.458 38.487 -0.141 0.000 1.163 210 N HN 0.242 nan 8.380 nan 0.000 0.509 211 W N 3.032 124.441 121.300 0.183 0.000 2.376 211 W HA 0.422 5.447 4.660 0.609 0.000 0.322 211 W C 0.452 177.164 176.519 0.323 0.000 1.160 211 W CA -0.803 56.708 57.345 0.275 0.000 1.218 211 W CB 1.110 30.793 29.460 0.372 0.000 1.205 211 W HN 0.088 nan 8.180 nan 0.000 0.559 212 K N 2.686 123.389 120.400 0.505 0.000 2.345 212 K HA 0.396 5.078 4.320 0.603 0.000 0.255 212 K C -1.219 175.372 176.600 -0.015 0.000 0.934 212 K CA -1.292 55.138 56.287 0.239 0.000 0.801 212 K CB 1.994 34.553 32.500 0.097 0.000 1.137 212 K HN 0.220 nan 8.250 nan 0.000 0.424 213 L N 3.688 124.644 121.223 -0.445 0.000 2.385 213 L HA 0.162 4.864 4.340 0.603 0.000 0.281 213 L C -0.597 176.002 176.870 -0.452 0.000 1.106 213 L CA 0.871 55.137 54.840 -0.957 0.000 0.856 213 L CB -0.179 41.062 42.059 -1.364 0.000 1.186 213 L HN 0.598 nan 8.230 nan 0.000 0.453 214 E N 4.127 124.124 120.200 -0.338 0.000 2.339 214 E HA 0.481 5.193 4.350 0.603 0.000 0.262 214 E C -0.943 175.558 176.600 -0.164 0.000 0.934 214 E CA -1.236 55.053 56.400 -0.185 0.000 0.802 214 E CB 1.671 31.310 29.700 -0.102 0.000 1.275 214 E HN 0.294 nan 8.360 nan 0.000 0.427 215 K N 2.047 122.378 120.400 -0.116 0.000 2.183 215 K HA 0.241 4.922 4.320 0.603 0.000 0.274 215 K C -0.297 176.255 176.600 -0.079 0.000 1.009 215 K CA -0.431 55.797 56.287 -0.097 0.000 0.888 215 K CB 1.051 33.499 32.500 -0.086 0.000 1.078 215 K HN 0.535 nan 8.250 nan 0.000 0.459 216 N N 0.353 119.004 118.700 -0.082 0.000 2.418 216 N HA 0.087 5.188 4.740 0.603 0.000 0.283 216 N C 0.234 175.697 175.510 -0.079 0.000 1.267 216 N CA -0.319 52.686 53.050 -0.074 0.000 0.975 216 N CB 0.347 38.787 38.487 -0.077 0.000 1.167 216 N HN 0.248 nan 8.380 nan 0.000 0.581 217 D N -1.351 119.007 120.400 -0.070 0.000 2.350 217 D HA 0.017 5.018 4.640 0.603 0.000 0.216 217 D C 0.811 177.067 176.300 -0.072 0.000 0.968 217 D CA 0.745 54.708 54.000 -0.062 0.000 0.894 217 D CB -0.374 40.397 40.800 -0.048 0.000 0.909 217 D HN 0.666 nan 8.370 nan 0.000 0.520 218 A N 0.423 123.183 122.820 -0.101 0.000 2.337 218 A HA 0.074 4.756 4.320 0.603 0.000 0.227 218 A C 0.914 178.429 177.584 -0.116 0.000 1.259 218 A CA 0.033 52.002 52.037 -0.113 0.000 0.870 218 A CB -0.311 18.596 19.000 -0.154 0.000 0.927 218 A HN 0.117 nan 8.150 nan 0.000 0.497 219 N N -0.336 118.303 118.700 -0.103 0.000 2.782 219 N HA -0.135 4.967 4.740 0.603 0.000 0.251 219 N C -1.143 174.302 175.510 -0.108 0.000 1.101 219 N CA 0.964 53.960 53.050 -0.091 0.000 0.764 219 N CB -1.683 36.762 38.487 -0.070 0.000 1.122 219 N HN 0.564 nan 8.380 nan 0.000 0.561 220 N N 1.038 119.647 118.700 -0.153 0.000 2.405 220 N HA 0.203 5.304 4.740 0.603 0.000 0.299 220 N C -0.490 174.964 175.510 -0.093 0.000 1.075 220 N CA -0.315 52.641 53.050 -0.158 0.000 0.884 220 N CB 0.924 39.189 38.487 -0.370 0.000 1.194 220 N HN 0.239 nan 8.380 nan 0.000 0.491 221 E N 1.149 121.322 120.200 -0.044 0.000 2.360 221 E HA 0.084 4.795 4.350 0.603 0.000 0.269 221 E C -0.129 176.479 176.600 0.013 0.000 1.022 221 E CA -0.014 56.339 56.400 -0.079 0.000 0.887 221 E CB 0.737 30.354 29.700 -0.138 0.000 0.990 221 E HN 0.511 nan 8.360 nan 0.000 0.426 222 Q N 1.526 121.276 119.800 -0.084 0.000 2.482 222 Q HA 0.385 5.087 4.340 0.603 0.000 0.286 222 Q C -1.509 174.382 176.000 -0.181 0.000 1.007 222 Q CA -1.032 54.762 55.803 -0.014 0.000 0.801 222 Q CB 0.875 29.707 28.738 0.156 0.000 1.455 222 Q HN 0.386 nan 8.270 nan 0.000 0.398 223 W N 1.418 122.669 121.300 -0.082 0.000 2.338 223 W HA 0.440 5.459 4.660 0.598 0.000 0.307 223 W C -0.691 175.941 176.519 0.187 0.000 1.167 223 W CA 0.262 57.564 57.345 -0.072 0.000 1.208 223 W CB 1.146 30.377 29.460 -0.382 0.000 1.228 223 W HN 0.457 nan 8.180 nan 0.000 0.499 224 D N 1.335 122.022 120.400 0.480 0.000 2.457 224 D HA 0.420 5.421 4.640 0.603 0.000 0.240 224 D C -0.495 176.027 176.300 0.370 0.000 1.041 224 D CA -0.529 53.725 54.000 0.424 0.000 0.861 224 D CB 2.034 42.930 40.800 0.160 0.000 1.394 224 D HN 0.224 nan 8.370 nan 0.000 0.473 225 S N -0.563 115.216 115.700 0.131 0.000 2.600 225 S HA 0.378 5.210 4.470 0.603 0.000 0.300 225 S C 0.657 175.128 174.600 -0.214 0.000 1.087 225 S CA -0.757 57.301 58.200 -0.236 0.000 0.965 225 S CB 2.137 64.892 63.200 -0.741 0.000 1.089 225 S HN 0.406 nan 8.310 nan 0.000 0.496 226 K N 0.760 121.021 120.400 -0.232 0.000 2.504 226 K HA 0.136 4.818 4.320 0.603 0.000 0.195 226 K C 1.188 177.629 176.600 -0.264 0.000 1.036 226 K CA 1.152 57.324 56.287 -0.192 0.000 0.984 226 K CB -0.327 32.085 32.500 -0.147 0.000 0.788 226 K HN 0.382 nan 8.250 nan 0.000 0.488 227 S N 0.409 115.855 115.700 -0.424 0.000 2.561 227 S HA 0.132 4.963 4.470 0.603 0.000 0.225 227 S C 1.261 175.438 174.600 -0.706 0.000 0.977 227 S CA 0.376 58.204 58.200 -0.620 0.000 0.926 227 S CB 0.020 62.635 63.200 -0.975 0.000 0.769 227 S HN 0.720 nan 8.310 nan 0.000 0.533 228 G N 0.435 108.956 108.800 -0.466 0.000 2.134 228 G HA2 -0.222 4.100 3.960 0.603 0.000 0.209 228 G HA3 -0.222 4.100 3.960 0.603 0.000 0.209 228 G C -0.141 174.730 174.900 -0.048 0.000 0.993 228 G CA -0.387 44.573 45.100 -0.233 0.000 0.669 228 G HN 0.554 nan 8.290 nan 0.000 0.519 229 Y N -0.810 119.519 120.300 0.047 0.000 2.534 229 Y HA 0.772 5.684 4.550 0.603 0.000 0.329 229 Y C 0.554 176.630 175.900 0.294 0.000 1.154 229 Y CA -1.242 56.947 58.100 0.148 0.000 1.192 229 Y CB 1.524 40.127 38.460 0.239 0.000 1.275 229 Y HN 0.323 nan 8.280 nan 0.000 0.491 230 M N 0.794 120.637 119.600 0.405 0.000 2.631 230 M HA 0.692 5.534 4.480 0.603 0.000 0.288 230 M C -1.769 174.547 176.300 0.026 0.000 1.260 230 M CA -0.926 54.519 55.300 0.243 0.000 0.842 230 M CB 2.228 34.814 32.600 -0.024 0.000 1.743 230 M HN 0.356 nan 8.290 nan 0.000 0.461 231 M N 2.481 122.046 119.600 -0.058 0.000 2.326 231 M HA 0.537 5.379 4.480 0.603 0.000 0.292 231 M C -1.281 175.080 176.300 0.102 0.000 1.081 231 M CA -0.476 54.815 55.300 -0.014 0.000 0.919 231 M CB 2.041 34.407 32.600 -0.390 0.000 1.634 231 M HN 0.901 nan 8.290 nan 0.000 0.451 232 L N 3.782 125.102 121.223 0.162 0.000 2.473 232 L HA 0.100 4.801 4.340 0.603 0.000 0.268 232 L C -1.206 175.780 176.870 0.194 0.000 1.215 232 L CA -1.244 53.616 54.840 0.034 0.000 0.823 232 L CB -0.019 42.022 42.059 -0.030 0.000 1.099 232 L HN 0.448 nan 8.230 nan 0.000 0.483 233 P HA -0.197 nan 4.420 nan 0.000 0.216 233 P C 1.447 178.896 177.300 0.250 0.000 1.154 233 P CA 1.731 65.017 63.100 0.309 0.000 0.865 233 P CB -0.038 31.794 31.700 0.221 0.000 0.789 234 T N -4.239 110.430 114.554 0.191 0.000 2.951 234 T HA -0.103 4.609 4.350 0.603 0.000 0.268 234 T C 1.422 176.241 174.700 0.199 0.000 1.073 234 T CA 1.085 63.314 62.100 0.215 0.000 1.134 234 T CB -0.889 68.117 68.868 0.230 0.000 0.884 234 T HN 0.043 nan 8.240 nan 0.000 0.479 235 D N 0.553 121.093 120.400 0.233 0.000 2.097 235 D HA -0.072 4.929 4.640 0.603 0.000 0.197 235 D C 1.692 178.013 176.300 0.036 0.000 0.984 235 D CA 1.146 55.293 54.000 0.245 0.000 0.826 235 D CB -0.544 40.482 40.800 0.377 0.000 0.973 235 D HN 0.476 nan 8.370 nan 0.000 0.460 236 Y N 1.717 121.918 120.300 -0.165 0.000 2.333 236 Y HA -0.221 4.688 4.550 0.600 0.000 0.290 236 Y C 2.451 178.212 175.900 -0.233 0.000 1.144 236 Y CA 1.499 59.345 58.100 -0.423 0.000 1.228 236 Y CB 0.006 37.978 38.460 -0.812 0.000 0.985 236 Y HN -0.044 nan 8.280 nan 0.000 0.542 237 S N -0.409 115.325 115.700 0.057 0.000 2.469 237 S HA -0.170 4.662 4.470 0.603 0.000 0.238 237 S C 1.716 176.363 174.600 0.080 0.000 0.998 237 S CA 1.164 59.425 58.200 0.101 0.000 0.957 237 S CB -0.865 62.465 63.200 0.216 0.000 0.764 237 S HN 0.559 nan 8.310 nan 0.000 0.514 238 L N 1.014 122.221 121.223 -0.026 0.000 2.362 238 L HA 0.140 4.842 4.340 0.603 0.000 0.219 238 L C 2.196 179.038 176.870 -0.047 0.000 1.134 238 L CA 1.060 55.886 54.840 -0.024 0.000 0.807 238 L CB -0.653 41.349 42.059 -0.096 0.000 0.927 238 L HN 0.555 nan 8.230 nan 0.000 0.447 239 I N -5.065 115.362 120.570 -0.239 0.000 4.018 239 I HA 0.048 4.579 4.170 0.603 0.000 0.337 239 I C 1.805 177.785 176.117 -0.228 0.000 1.327 239 I CA 0.150 61.287 61.300 -0.271 0.000 1.100 239 I CB 0.081 37.813 38.000 -0.448 0.000 1.025 239 I HN 0.110 nan 8.210 nan 0.000 0.396 240 Q N 1.267 120.970 119.800 -0.161 0.000 2.302 240 Q HA 0.073 4.775 4.340 0.603 0.000 0.202 240 Q C 0.479 176.483 176.000 0.007 0.000 0.936 240 Q CA 0.545 56.314 55.803 -0.057 0.000 0.886 240 Q CB 0.345 29.096 28.738 0.021 0.000 0.986 240 Q HN 0.518 nan 8.270 nan 0.000 0.487 241 D N 0.786 121.213 120.400 0.045 0.000 2.249 241 D HA 0.055 5.056 4.640 0.603 0.000 0.246 241 D C -1.845 174.452 176.300 -0.005 0.000 1.114 241 D CA -2.107 51.906 54.000 0.021 0.000 0.854 241 D CB 1.779 42.587 40.800 0.013 0.000 1.132 241 D HN -0.087 nan 8.370 nan 0.000 0.461 242 P HA -0.087 nan 4.420 nan 0.000 0.221 242 P C 0.854 178.132 177.300 -0.038 0.000 1.150 242 P CA 0.927 64.009 63.100 -0.030 0.000 0.800 242 P CB 0.627 32.309 31.700 -0.031 0.000 0.787 243 K N -0.789 119.564 120.400 -0.078 0.000 2.044 243 K HA -0.070 4.611 4.320 0.603 0.000 0.204 243 K C 2.486 179.085 176.600 -0.001 0.000 1.049 243 K CA 1.125 57.360 56.287 -0.087 0.000 0.945 243 K CB -0.594 31.804 32.500 -0.171 0.000 0.724 243 K HN 0.187 nan 8.250 nan 0.000 0.440 244 Y N 0.799 121.085 120.300 -0.025 0.000 2.181 244 Y HA -0.254 4.656 4.550 0.599 0.000 0.288 244 Y C 2.363 178.229 175.900 -0.057 0.000 1.146 244 Y CA 0.174 58.257 58.100 -0.028 0.000 1.164 244 Y CB -0.070 38.389 38.460 -0.002 0.000 0.982 244 Y HN 0.042 nan 8.280 nan 0.000 0.515 245 L N -0.140 121.143 121.223 0.100 0.000 2.042 245 L HA -0.245 4.457 4.340 0.603 0.000 0.210 245 L C 2.290 179.140 176.870 -0.033 0.000 1.076 245 L CA 1.824 56.667 54.840 0.005 0.000 0.749 245 L CB -0.842 41.202 42.059 -0.025 0.000 0.893 245 L HN -0.025 nan 8.230 nan 0.000 0.432 246 S N -0.329 115.348 115.700 -0.037 0.000 2.383 246 S HA -0.160 4.672 4.470 0.603 0.000 0.229 246 S C 1.904 176.422 174.600 -0.136 0.000 1.030 246 S CA 1.900 60.056 58.200 -0.073 0.000 1.002 246 S CB -0.503 62.660 63.200 -0.062 0.000 0.829 246 S HN 0.531 nan 8.310 nan 0.000 0.467 247 I N 0.638 121.122 120.570 -0.143 0.000 2.406 247 I HA -0.075 4.457 4.170 0.603 0.000 0.249 247 I C 2.126 177.980 176.117 -0.437 0.000 1.122 247 I CA 0.542 61.646 61.300 -0.327 0.000 1.431 247 I CB -0.407 37.454 38.000 -0.231 0.000 1.087 247 I HN 0.108 nan 8.210 nan 0.000 0.424 248 V N 1.217 121.018 119.914 -0.188 0.000 2.332 248 V HA -0.317 4.165 4.120 0.603 0.000 0.248 248 V C 2.477 178.480 176.094 -0.152 0.000 1.055 248 V CA 1.927 64.165 62.300 -0.103 0.000 1.038 248 V CB -0.680 31.166 31.823 0.037 0.000 0.651 248 V HN 0.392 nan 8.190 nan 0.000 0.450 249 K N -0.371 119.951 120.400 -0.130 0.000 2.097 249 K HA -0.214 4.467 4.320 0.603 0.000 0.206 249 K C 2.150 178.669 176.600 -0.134 0.000 1.049 249 K CA 1.729 57.956 56.287 -0.101 0.000 0.933 249 K CB -0.195 32.257 32.500 -0.079 0.000 0.717 249 K HN 0.576 nan 8.250 nan 0.000 0.442 250 E N -0.153 119.909 120.200 -0.230 0.000 2.051 250 E HA -0.185 4.527 4.350 0.603 0.000 0.192 250 E C 1.853 178.364 176.600 -0.148 0.000 0.991 250 E CA 1.382 57.646 56.400 -0.228 0.000 0.799 250 E CB -0.094 29.385 29.700 -0.368 0.000 0.748 250 E HN 0.444 nan 8.360 nan 0.000 0.449 251 Y N -0.047 120.087 120.300 -0.277 0.000 2.314 251 Y HA -0.056 4.854 4.550 0.600 0.000 0.293 251 Y C 2.413 178.156 175.900 -0.261 0.000 1.129 251 Y CA -0.021 57.843 58.100 -0.393 0.000 1.201 251 Y CB 0.074 37.882 38.460 -1.087 0.000 0.999 251 Y HN 0.081 nan 8.280 nan 0.000 0.541 252 A N 0.237 123.030 122.820 -0.045 0.000 2.070 252 A HA -0.156 4.526 4.320 0.603 0.000 0.220 252 A C 1.587 179.191 177.584 0.034 0.000 1.159 252 A CA 1.424 53.489 52.037 0.047 0.000 0.656 252 A CB -0.350 18.679 19.000 0.048 0.000 0.800 252 A HN 0.419 nan 8.150 nan 0.000 0.453 253 N N -0.497 118.213 118.700 0.017 0.000 2.203 253 N HA 0.048 5.149 4.740 0.603 0.000 0.207 253 N C -0.958 174.572 175.510 0.034 0.000 1.130 253 N CA 0.223 53.283 53.050 0.017 0.000 0.861 253 N CB 0.758 39.243 38.487 -0.002 0.000 1.005 253 N HN 0.349 nan 8.380 nan 0.000 0.507 254 D N 0.524 120.966 120.400 0.070 0.000 2.351 254 D HA 0.117 5.119 4.640 0.603 0.000 0.235 254 D C 0.718 177.095 176.300 0.128 0.000 1.331 254 D CA -0.156 53.895 54.000 0.084 0.000 0.959 254 D CB 0.681 41.537 40.800 0.094 0.000 1.432 254 D HN -0.111 nan 8.370 nan 0.000 0.544 255 Q N 0.940 120.779 119.800 0.065 0.000 2.096 255 Q HA -0.180 4.522 4.340 0.603 0.000 0.204 255 Q C 0.900 176.886 176.000 -0.024 0.000 0.982 255 Q CA 1.717 57.538 55.803 0.031 0.000 0.850 255 Q CB 0.194 28.857 28.738 -0.125 0.000 0.901 255 Q HN 0.432 nan 8.270 nan 0.000 0.422 256 D N 0.441 120.814 120.400 -0.046 0.000 2.117 256 D HA -0.176 4.826 4.640 0.603 0.000 0.198 256 D C 1.791 178.155 176.300 0.106 0.000 0.982 256 D CA 1.119 55.106 54.000 -0.021 0.000 0.828 256 D CB 0.092 40.884 40.800 -0.012 0.000 0.967 256 D HN -0.066 nan 8.370 nan 0.000 0.464 257 K N -0.388 120.098 120.400 0.143 0.000 2.026 257 K HA -0.127 4.555 4.320 0.603 0.000 0.208 257 K C 1.916 178.651 176.600 0.225 0.000 1.048 257 K CA 1.050 57.457 56.287 0.201 0.000 0.929 257 K CB -0.954 31.690 32.500 0.240 0.000 0.713 257 K HN 0.203 nan 8.250 nan 0.000 0.439 258 F N 0.349 120.327 119.950 0.047 0.000 2.095 258 F HA -0.113 4.774 4.527 0.599 0.000 0.298 258 F C 1.713 177.578 175.800 0.109 0.000 1.104 258 F CA 1.450 59.293 58.000 -0.262 0.000 1.232 258 F CB -0.790 38.105 39.000 -0.176 0.000 0.987 258 F HN 0.082 nan 8.300 nan 0.000 0.475 259 F N 0.771 120.543 119.950 -0.296 0.000 2.095 259 F HA -0.265 4.625 4.527 0.605 0.000 0.298 259 F C 2.470 178.153 175.800 -0.195 0.000 1.104 259 F CA 1.535 59.343 58.000 -0.319 0.000 1.232 259 F CB -0.318 38.612 39.000 -0.115 0.000 0.987 259 F HN -0.066 nan 8.300 nan 0.000 0.475 260 K N -0.262 120.195 120.400 0.095 0.000 2.097 260 K HA -0.155 4.527 4.320 0.603 0.000 0.205 260 K C 1.458 178.061 176.600 0.005 0.000 1.050 260 K CA 1.493 57.806 56.287 0.045 0.000 0.938 260 K CB -0.216 32.323 32.500 0.065 0.000 0.718 260 K HN 0.160 nan 8.250 nan 0.000 0.442 261 D N 0.391 120.796 120.400 0.008 0.000 2.149 261 D HA -0.116 4.885 4.640 0.603 0.000 0.201 261 D C 1.579 177.854 176.300 -0.041 0.000 0.972 261 D CA 0.693 54.705 54.000 0.020 0.000 0.835 261 D CB -0.204 40.667 40.800 0.118 0.000 0.966 261 D HN 0.035 nan 8.370 nan 0.000 0.476 262 F N 1.279 121.060 119.950 -0.281 0.000 2.095 262 F HA -0.237 4.651 4.527 0.602 0.000 0.298 262 F C 2.568 178.258 175.800 -0.183 0.000 1.104 262 F CA 1.585 59.414 58.000 -0.284 0.000 1.232 262 F CB -0.370 38.271 39.000 -0.598 0.000 0.987 262 F HN -0.135 nan 8.300 nan 0.000 0.475 263 S N 0.002 115.646 115.700 -0.093 0.000 2.365 263 S HA -0.260 4.571 4.470 0.603 0.000 0.225 263 S C 2.139 176.673 174.600 -0.110 0.000 1.039 263 S CA 1.867 60.010 58.200 -0.094 0.000 1.033 263 S CB -0.395 62.765 63.200 -0.066 0.000 0.887 263 S HN 0.472 nan 8.310 nan 0.000 0.447 264 K N 0.673 121.016 120.400 -0.096 0.000 2.026 264 K HA -0.026 4.656 4.320 0.603 0.000 0.208 264 K C 2.462 178.994 176.600 -0.114 0.000 1.048 264 K CA 1.281 57.517 56.287 -0.086 0.000 0.929 264 K CB -0.443 32.027 32.500 -0.051 0.000 0.713 264 K HN 0.450 nan 8.250 nan 0.000 0.439 265 A N 0.778 123.507 122.820 -0.151 0.000 1.930 265 A HA -0.143 4.539 4.320 0.603 0.000 0.217 265 A C 1.982 179.454 177.584 -0.186 0.000 1.175 265 A CA 1.036 52.980 52.037 -0.156 0.000 0.627 265 A CB -0.627 18.274 19.000 -0.165 0.000 0.815 265 A HN 0.336 nan 8.150 nan 0.000 0.443 266 F N 0.327 119.962 119.950 -0.525 0.000 2.163 266 F HA -0.101 4.785 4.527 0.599 0.000 0.297 266 F C 2.305 177.984 175.800 -0.203 0.000 1.094 266 F CA 1.778 59.493 58.000 -0.475 0.000 1.290 266 F CB 0.016 38.532 39.000 -0.808 0.000 1.017 266 F HN 0.404 nan 8.300 nan 0.000 0.483 267 E N 0.606 120.725 120.200 -0.136 0.000 2.085 267 E HA -0.309 4.402 4.350 0.603 0.000 0.194 267 E C 2.282 178.773 176.600 -0.181 0.000 0.994 267 E CA 1.508 57.819 56.400 -0.149 0.000 0.801 267 E CB -0.204 29.436 29.700 -0.100 0.000 0.743 267 E HN 0.381 nan 8.360 nan 0.000 0.453 268 K N 0.333 120.641 120.400 -0.154 0.000 2.026 268 K HA -0.201 4.481 4.320 0.603 0.000 0.208 268 K C 2.366 178.871 176.600 -0.159 0.000 1.048 268 K CA 1.314 57.518 56.287 -0.138 0.000 0.929 268 K CB -0.251 32.194 32.500 -0.093 0.000 0.713 268 K HN 0.166 nan 8.250 nan 0.000 0.439 269 L N 1.188 122.326 121.223 -0.141 0.000 2.013 269 L HA -0.190 4.512 4.340 0.603 0.000 0.212 269 L C 1.909 178.686 176.870 -0.155 0.000 1.073 269 L CA 1.563 56.351 54.840 -0.086 0.000 0.753 269 L CB -0.420 41.627 42.059 -0.020 0.000 0.890 269 L HN 0.180 nan 8.230 nan 0.000 0.432 270 L N -0.657 120.416 121.223 -0.251 0.000 2.376 270 L HA -0.083 4.618 4.340 0.603 0.000 0.219 270 L C 2.166 178.956 176.870 -0.133 0.000 1.133 270 L CA 1.423 56.146 54.840 -0.195 0.000 0.816 270 L CB -0.663 41.250 42.059 -0.245 0.000 0.933 270 L HN 0.416 nan 8.230 nan 0.000 0.449 271 E N -1.925 118.178 120.200 -0.162 0.000 2.511 271 E HA 0.091 4.803 4.350 0.603 0.000 0.209 271 E C 0.102 176.555 176.600 -0.244 0.000 0.986 271 E CA -0.343 55.998 56.400 -0.099 0.000 0.974 271 E CB 0.333 30.020 29.700 -0.022 0.000 1.030 271 E HN 0.332 nan 8.360 nan 0.000 0.490 272 N N 0.896 119.320 118.700 -0.461 0.000 2.357 272 N HA -0.039 5.063 4.740 0.603 0.000 0.257 272 N C 0.986 175.822 175.510 -1.124 0.000 1.250 272 N CA 1.557 53.999 53.050 -1.014 0.000 0.862 272 N CB 1.036 38.560 38.487 -1.604 0.000 1.066 272 N HN 0.372 nan 8.380 nan 0.000 0.468 273 G N 1.376 109.656 108.800 -0.865 0.000 2.217 273 G HA2 -0.254 4.068 3.960 0.603 0.000 0.246 273 G HA3 -0.254 4.068 3.960 0.603 0.000 0.246 273 G C 0.116 174.926 174.900 -0.151 0.000 0.990 273 G CA -0.161 44.778 45.100 -0.268 0.000 0.627 273 G HN 0.542 nan 8.290 nan 0.000 0.522 274 I N 2.046 122.471 120.570 -0.241 0.000 2.359 274 I HA 0.412 4.944 4.170 0.603 0.000 0.294 274 I C 0.095 175.971 176.117 -0.402 0.000 0.987 274 I CA -0.583 60.509 61.300 -0.348 0.000 1.225 274 I CB 1.841 39.573 38.000 -0.447 0.000 1.366 274 I HN -0.032 nan 8.210 nan 0.000 0.466 275 T N 6.353 120.663 114.554 -0.406 0.000 2.744 275 T HA 0.425 5.137 4.350 0.603 0.000 0.291 275 T C -0.406 174.049 174.700 -0.409 0.000 0.957 275 T CA -0.192 61.740 62.100 -0.281 0.000 1.002 275 T CB 0.090 68.858 68.868 -0.167 0.000 0.919 275 T HN 0.116 nan 8.240 nan 0.000 0.468 276 F N 4.584 124.488 119.950 -0.076 0.000 2.405 276 F HA 0.363 5.250 4.527 0.600 0.000 0.355 276 F C -1.631 174.132 175.800 -0.062 0.000 1.121 276 F CA -2.526 55.426 58.000 -0.080 0.000 1.112 276 F CB 0.394 39.320 39.000 -0.122 0.000 1.126 276 F HN 0.348 nan 8.300 nan 0.000 0.481 277 P HA -0.020 nan 4.420 nan 0.000 0.266 277 P C 0.681 178.010 177.300 0.048 0.000 1.193 277 P CA -0.182 62.944 63.100 0.044 0.000 0.770 277 P CB 0.717 32.438 31.700 0.034 0.000 0.836 278 K N 1.802 122.216 120.400 0.024 0.000 2.218 278 K HA -0.163 4.519 4.320 0.603 0.000 0.205 278 K C 0.813 177.414 176.600 0.002 0.000 1.046 278 K CA 1.641 57.934 56.287 0.010 0.000 0.933 278 K CB -0.422 32.079 32.500 0.002 0.000 0.728 278 K HN 0.646 nan 8.250 nan 0.000 0.454 279 D N -0.766 119.640 120.400 0.010 0.000 2.388 279 D HA 0.097 5.099 4.640 0.603 0.000 0.221 279 D C 0.292 176.600 176.300 0.012 0.000 1.133 279 D CA -0.234 53.771 54.000 0.007 0.000 0.831 279 D CB -0.193 40.615 40.800 0.012 0.000 0.962 279 D HN -0.067 nan 8.370 nan 0.000 0.502 280 A N 1.474 124.304 122.820 0.018 0.000 2.406 280 A HA 0.452 5.134 4.320 0.603 0.000 0.243 280 A C -1.969 175.588 177.584 -0.045 0.000 1.082 280 A CA -0.836 51.212 52.037 0.018 0.000 0.786 280 A CB -0.371 18.679 19.000 0.083 0.000 1.029 280 A HN 0.088 nan 8.150 nan 0.000 0.495 281 P HA 0.185 nan 4.420 nan 0.000 0.270 281 P C -0.065 177.071 177.300 -0.273 0.000 1.223 281 P CA -0.177 62.852 63.100 -0.119 0.000 0.785 281 P CB 0.306 31.950 31.700 -0.095 0.000 0.923 282 S N 2.252 117.807 115.700 -0.243 0.000 2.576 282 S HA 0.191 5.022 4.470 0.603 0.000 0.272 282 S C -2.072 172.220 174.600 -0.514 0.000 1.352 282 S CA -0.571 57.446 58.200 -0.306 0.000 1.021 282 S CB -0.862 62.221 63.200 -0.195 0.000 0.887 282 S HN 0.406 nan 8.310 nan 0.000 0.542 283 P HA 0.159 nan 4.420 nan 0.000 0.269 283 P C -0.869 176.202 177.300 -0.381 0.000 1.209 283 P CA 0.144 62.918 63.100 -0.544 0.000 0.776 283 P CB 0.172 31.638 31.700 -0.390 0.000 0.876 284 F N 1.747 121.581 119.950 -0.194 0.000 2.385 284 F HA 0.429 5.318 4.527 0.603 0.000 0.336 284 F C 0.879 176.432 175.800 -0.413 0.000 1.100 284 F CA -0.795 57.041 58.000 -0.273 0.000 1.116 284 F CB 0.801 39.633 39.000 -0.280 0.000 1.166 284 F HN 0.007 nan 8.300 nan 0.000 0.511 285 I N 4.033 124.509 120.570 -0.157 0.000 2.390 285 I HA 0.216 4.748 4.170 0.603 0.000 0.283 285 I C -0.855 175.184 176.117 -0.130 0.000 1.016 285 I CA -0.580 60.620 61.300 -0.167 0.000 1.151 285 I CB 0.677 38.625 38.000 -0.087 0.000 1.293 285 I HN 0.362 nan 8.210 nan 0.000 0.458 286 F N 5.667 125.672 119.950 0.090 0.000 2.443 286 F HA 0.267 5.155 4.527 0.601 0.000 0.353 286 F C 1.002 176.615 175.800 -0.311 0.000 1.101 286 F CA -0.466 57.408 58.000 -0.211 0.000 1.226 286 F CB 0.405 38.961 39.000 -0.741 0.000 1.140 286 F HN 0.265 nan 8.300 nan 0.000 0.557 287 K N 1.414 121.772 120.400 -0.069 0.000 2.237 287 K HA 0.232 4.914 4.320 0.603 0.000 0.270 287 K C 0.352 176.845 176.600 -0.178 0.000 1.015 287 K CA -0.336 55.907 56.287 -0.073 0.000 0.949 287 K CB 0.613 33.119 32.500 0.010 0.000 0.976 287 K HN 0.772 nan 8.250 nan 0.000 0.472 288 T N -1.459 113.092 114.554 -0.005 0.000 2.788 288 T HA 0.193 4.904 4.350 0.603 0.000 0.287 288 T C 1.823 176.613 174.700 0.149 0.000 1.007 288 T CA -0.648 61.542 62.100 0.149 0.000 1.005 288 T CB 0.434 69.394 68.868 0.152 0.000 1.012 288 T HN 0.436 nan 8.240 nan 0.000 0.530 289 L N -0.032 121.312 121.223 0.200 0.000 2.042 289 L HA -0.084 4.618 4.340 0.603 0.000 0.210 289 L C 3.055 179.976 176.870 0.085 0.000 1.076 289 L CA 1.934 56.849 54.840 0.125 0.000 0.749 289 L CB -0.684 41.439 42.059 0.107 0.000 0.893 289 L HN 0.902 nan 8.230 nan 0.000 0.432 290 E N 0.618 120.869 120.200 0.085 0.000 2.058 290 E HA -0.270 4.441 4.350 0.603 0.000 0.194 290 E C 1.984 178.618 176.600 0.057 0.000 0.997 290 E CA 1.546 57.986 56.400 0.067 0.000 0.801 290 E CB 0.046 29.787 29.700 0.069 0.000 0.746 290 E HN 0.474 nan 8.360 nan 0.000 0.450 291 E N -0.183 120.052 120.200 0.059 0.000 2.204 291 E HA -0.189 4.523 4.350 0.603 0.000 0.195 291 E C 1.931 178.557 176.600 0.042 0.000 0.990 291 E CA 0.905 57.333 56.400 0.047 0.000 0.821 291 E CB 0.068 29.793 29.700 0.043 0.000 0.750 291 E HN 0.375 nan 8.360 nan 0.000 0.477 292 Q N -0.904 118.923 119.800 0.046 0.000 2.392 292 Q HA 0.085 4.786 4.340 0.603 0.000 0.203 292 Q C 0.852 176.875 176.000 0.038 0.000 0.917 292 Q CA 0.370 56.197 55.803 0.041 0.000 0.939 292 Q CB 0.919 29.682 28.738 0.042 0.000 1.063 292 Q HN 0.351 nan 8.270 nan 0.000 0.516 293 G N 0.989 109.813 108.800 0.040 0.000 2.176 293 G HA2 -0.270 4.052 3.960 0.603 0.000 0.252 293 G HA3 -0.270 4.052 3.960 0.603 0.000 0.252 293 G C -0.056 174.866 174.900 0.036 0.000 1.024 293 G CA 0.151 45.273 45.100 0.036 0.000 0.755 293 G HN 0.224 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.249 121.223 0.043 0.000 2.949 294 L HA 0.000 4.702 4.340 0.603 0.000 0.249 294 L CA 0.000 54.865 54.840 0.041 0.000 0.813 294 L CB 0.000 42.086 42.059 0.046 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502