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 2ant_1_I DATA FIRST_RESID 1 DATA SEQUENCE HGSPVDIcTA KPRDIPMNPM cIYRSPEKKX XXXXXXXXXX XXATNRRVWE DATA SEQUENCE LSKANSRFAT TFYQHLADSK NDNDNIFLSP LSISTAFAMT KLGAcNDTLQ DATA SEQUENCE QLMEVFKFDT ISEKTSDQIH FFFAKLNcRL YRKANKSSKL VSANRLFGDK DATA SEQUENCE SLTFNETYQD ISELVYGAKL QPLDFKENAE QSRAAINKWV SNKTEGRITD DATA SEQUENCE VIPSEAINEL TVLVLVNTIY FKGLWKSKFS PENTRKELFY KADGEScSAS DATA SEQUENCE MMYQEGKFRY RRVAEGTQVL ELPFKGDDIT MVLILPKPEK SLAKVEKELT DATA SEQUENCE PEVLQEWLDE LEEMMLVVHM PRFRIEDGFS LKEQLQDMGL VDLFSPEKSK DATA SEQUENCE LPGIVAEGRD DLYVSDAFHK AFLEVNEEGS EAAASTAVVI AGRSLNPNRV DATA SEQUENCE TFKANRPFLV FIREVPLNTI IFMGRVANPc VK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.325 175.328 -0.005 0.000 0.993 1 H CA 0.000 56.038 56.048 -0.017 0.000 1.023 1 H CB 0.000 29.744 29.762 -0.030 0.000 1.292 2 G N 0.105 108.995 108.800 0.150 0.000 2.535 2 G HA2 -0.000 3.960 3.960 0.000 0.000 0.218 2 G HA3 -0.000 3.960 3.960 0.000 0.000 0.218 2 G C 0.378 175.352 174.900 0.124 0.000 1.122 2 G CA 1.300 46.454 45.100 0.090 0.000 0.769 2 G HN 0.331 nan 8.290 nan 0.000 0.549 3 S N -1.278 114.513 115.700 0.153 0.000 3.841 3 S HA -0.060 4.411 4.470 0.000 0.000 0.295 3 S C -2.967 171.730 174.600 0.161 0.000 1.149 3 S CA -0.028 58.293 58.200 0.202 0.000 0.788 3 S CB -0.483 62.960 63.200 0.404 0.000 0.858 3 S HN 0.397 nan 8.310 nan 0.000 0.624 4 P HA 0.494 nan 4.420 nan 0.000 0.312 4 P C 0.985 178.316 177.300 0.052 0.000 1.661 4 P CA -0.620 62.528 63.100 0.080 0.000 1.304 4 P CB 1.847 33.586 31.700 0.065 0.000 1.258 5 V N 1.964 121.905 119.914 0.046 0.000 2.310 5 V HA -0.436 3.684 4.120 0.000 0.000 0.263 5 V C 1.979 178.081 176.094 0.013 0.000 1.108 5 V CA 2.822 65.138 62.300 0.027 0.000 1.104 5 V CB -1.599 30.240 31.823 0.026 0.000 0.736 5 V HN 0.653 nan 8.190 nan 0.000 0.456 6 D N 1.737 122.146 120.400 0.015 0.000 2.088 6 D HA -0.227 4.413 4.640 0.000 0.000 0.295 6 D C 0.901 177.196 176.300 -0.009 0.000 1.473 6 D CA 1.904 55.908 54.000 0.006 0.000 1.214 6 D CB -0.848 39.958 40.800 0.011 0.000 2.182 6 D HN 0.722 nan 8.370 nan 0.000 0.690 7 I N -2.670 117.892 120.570 -0.013 0.000 2.312 7 I HA 0.317 4.487 4.170 0.000 0.000 0.291 7 I C 0.061 176.144 176.117 -0.057 0.000 1.031 7 I CA -0.907 60.369 61.300 -0.039 0.000 1.293 7 I CB 1.358 39.337 38.000 -0.036 0.000 1.403 7 I HN 0.153 nan 8.210 nan 0.000 0.484 8 c N 3.955 122.490 118.600 -0.109 0.000 2.697 8 c HA 0.150 4.720 4.570 0.000 0.000 0.267 8 c C 1.269 175.056 174.090 -0.505 0.000 1.278 8 c CA 0.915 57.142 56.329 -0.171 0.000 1.708 8 c CB -1.611 40.833 42.510 -0.111 0.000 1.860 8 c HN 1.031 nan 8.230 nan 0.000 0.589 9 T N 1.016 115.378 114.554 -0.320 0.000 2.626 9 T HA -0.151 4.199 4.350 0.000 0.000 0.494 9 T C -0.450 174.087 174.700 -0.271 0.000 0.803 9 T CA 0.389 62.327 62.100 -0.270 0.000 2.618 9 T CB -1.083 67.702 68.868 -0.137 0.000 1.693 9 T HN 0.790 nan 8.240 nan 0.000 0.539 10 A N 3.954 126.695 122.820 -0.133 0.000 2.260 10 A HA 0.793 5.114 4.320 0.000 0.000 0.314 10 A C 0.825 178.395 177.584 -0.023 0.000 1.257 10 A CA 0.242 52.240 52.037 -0.065 0.000 0.871 10 A CB 1.274 20.250 19.000 -0.039 0.000 1.166 10 A HN 0.916 nan 8.150 nan 0.000 0.522 11 K N 1.182 121.582 120.400 0.001 0.000 2.644 11 K HA 0.203 4.524 4.320 0.000 0.000 0.156 11 K C -2.886 173.725 176.600 0.018 0.000 1.957 11 K CA 0.866 57.159 56.287 0.009 0.000 1.331 11 K CB 0.261 32.767 32.500 0.010 0.000 2.145 11 K HN 0.591 nan 8.250 nan 0.000 0.574 12 P HA 0.581 nan 4.420 nan 0.000 0.334 12 P C -0.706 176.647 177.300 0.088 0.000 1.410 12 P CA -0.562 62.561 63.100 0.038 0.000 1.298 12 P CB 2.475 34.199 31.700 0.040 0.000 2.080 13 R N -0.179 120.282 120.500 -0.064 0.000 2.316 13 R HA 0.193 4.533 4.340 0.000 0.000 0.201 13 R C -0.225 175.660 176.300 -0.693 0.000 0.888 13 R CA 0.451 56.332 56.100 -0.364 0.000 1.041 13 R CB 0.034 30.076 30.300 -0.429 0.000 1.115 13 R HN 0.469 nan 8.270 nan 0.000 0.559 14 D N 0.467 120.683 120.400 -0.306 0.000 2.502 14 D HA 0.289 4.930 4.640 0.000 0.000 0.301 14 D C -0.719 175.526 176.300 -0.090 0.000 1.202 14 D CA -0.119 53.742 54.000 -0.232 0.000 0.878 14 D CB -0.001 40.669 40.800 -0.217 0.000 1.062 14 D HN 0.010 nan 8.370 nan 0.000 0.499 15 I N 3.311 123.865 120.570 -0.027 0.000 2.948 15 I HA 0.230 4.400 4.170 0.000 0.000 0.308 15 I C -2.580 173.553 176.117 0.027 0.000 1.478 15 I CA -1.070 60.238 61.300 0.013 0.000 0.843 15 I CB 1.647 39.664 38.000 0.029 0.000 2.100 15 I HN 0.015 nan 8.210 nan 0.000 0.625 16 P HA 0.414 nan 4.420 nan 0.000 0.308 16 P C -0.796 176.520 177.300 0.026 0.000 1.694 16 P CA -0.526 62.592 63.100 0.031 0.000 1.342 16 P CB 1.654 33.401 31.700 0.078 0.000 1.227 17 M N 2.581 122.190 119.600 0.015 0.000 2.250 17 M HA 0.293 4.773 4.480 0.000 0.000 0.344 17 M C 0.228 176.536 176.300 0.013 0.000 1.150 17 M CA 0.149 55.455 55.300 0.010 0.000 1.147 17 M CB 0.749 33.352 32.600 0.005 0.000 1.498 17 M HN 0.291 nan 8.290 nan 0.000 0.461 18 N N 3.433 122.140 118.700 0.011 0.000 2.295 18 N HA 0.337 5.077 4.740 0.000 0.000 0.293 18 N C -2.179 173.333 175.510 0.002 0.000 1.040 18 N CA -1.486 51.570 53.050 0.010 0.000 0.840 18 N CB 2.167 40.669 38.487 0.026 0.000 1.468 18 N HN 0.308 nan 8.380 nan 0.000 0.478 19 P HA -0.108 nan 4.420 nan 0.000 0.216 19 P C 0.350 177.651 177.300 0.001 0.000 1.154 19 P CA 1.732 64.829 63.100 -0.005 0.000 0.865 19 P CB 0.377 32.071 31.700 -0.011 0.000 0.789 20 M N -5.582 114.022 119.600 0.006 0.000 1.764 20 M HA -0.090 4.390 4.480 0.000 0.000 0.291 20 M C 1.422 177.735 176.300 0.023 0.000 0.958 20 M CA -0.215 55.093 55.300 0.012 0.000 1.002 20 M CB -2.028 30.578 32.600 0.010 0.000 2.139 20 M HN -0.038 nan 8.290 nan 0.000 0.847 21 c N 3.156 121.769 118.600 0.022 0.000 2.439 21 c HA -0.187 4.383 4.570 0.000 0.000 0.284 21 c C 1.779 175.908 174.090 0.065 0.000 1.101 21 c CA 1.131 57.480 56.329 0.034 0.000 1.939 21 c CB -1.956 40.563 42.510 0.016 0.000 2.334 21 c HN 0.556 nan 8.230 nan 0.000 0.497 22 I N -1.358 119.252 120.570 0.067 0.000 3.207 22 I HA -0.050 4.120 4.170 0.000 0.000 0.318 22 I C 0.242 176.455 176.117 0.159 0.000 1.200 22 I CA 0.514 61.872 61.300 0.097 0.000 1.451 22 I CB -0.167 37.869 38.000 0.061 0.000 1.299 22 I HN 0.367 nan 8.210 nan 0.000 0.564 23 Y N 5.274 125.591 120.300 0.028 0.000 2.568 23 Y HA 0.539 5.089 4.550 0.000 0.000 0.327 23 Y C 0.092 176.011 175.900 0.031 0.000 1.163 23 Y CA -1.705 56.414 58.100 0.032 0.000 1.219 23 Y CB 1.208 39.695 38.460 0.044 0.000 1.308 23 Y HN 0.679 nan 8.280 nan 0.000 0.503 24 R N 2.079 121.880 120.500 -1.166 0.000 2.230 24 R HA 0.535 4.875 4.340 0.000 0.000 0.337 24 R C -0.946 174.779 176.300 -0.958 0.000 1.063 24 R CA -0.370 55.224 56.100 -0.843 0.000 0.935 24 R CB 0.196 30.161 30.300 -0.558 0.000 1.121 24 R HN 0.473 nan 8.270 nan 0.000 0.486 25 S N 5.076 120.549 115.700 -0.378 0.000 2.549 25 S HA 0.184 4.654 4.470 0.000 0.000 0.279 25 S C -1.880 172.666 174.600 -0.090 0.000 1.321 25 S CA -0.906 57.223 58.200 -0.119 0.000 1.054 25 S CB 0.510 63.726 63.200 0.025 0.000 0.899 25 S HN 0.554 nan 8.310 nan 0.000 0.497 26 P HA 0.052 nan 4.420 nan 0.000 0.266 26 P C 0.703 177.999 177.300 -0.006 0.000 1.195 26 P CA -0.155 62.947 63.100 0.003 0.000 0.768 26 P CB 0.305 32.032 31.700 0.045 0.000 0.838 27 E N 1.567 121.758 120.200 -0.015 0.000 2.396 27 E HA -0.150 4.200 4.350 0.000 0.000 0.200 27 E C 0.022 176.617 176.600 -0.007 0.000 1.023 27 E CA 1.056 57.447 56.400 -0.014 0.000 0.857 27 E CB -0.172 29.519 29.700 -0.016 0.000 0.775 27 E HN 0.106 nan 8.360 nan 0.000 0.525 28 K N 1.317 121.717 120.400 -0.001 0.000 2.687 28 K HA 0.287 4.608 4.320 0.000 0.000 0.249 28 K C -1.009 175.597 176.600 0.009 0.000 0.994 28 K CA -0.514 55.772 56.287 -0.002 0.000 0.913 28 K CB 1.562 34.058 32.500 -0.007 0.000 1.202 28 K HN 0.063 nan 8.250 nan 0.000 0.460 44 T N 1.368 115.892 114.554 -0.050 0.000 3.038 44 T HA 0.252 4.602 4.350 0.000 0.000 0.344 44 T C -0.497 174.172 174.700 -0.053 0.000 1.054 44 T CA -0.370 61.713 62.100 -0.029 0.000 1.092 44 T CB 0.558 69.430 68.868 0.007 0.000 1.031 44 T HN 0.418 nan 8.240 nan 0.000 0.482 45 N N 3.381 122.044 118.700 -0.061 0.000 2.406 45 N HA 0.039 4.780 4.740 0.000 0.000 0.274 45 N C 0.105 175.571 175.510 -0.073 0.000 1.249 45 N CA 0.025 53.016 53.050 -0.099 0.000 0.951 45 N CB 0.051 38.480 38.487 -0.096 0.000 1.241 45 N HN 0.589 nan 8.380 nan 0.000 0.485 46 R N 0.787 121.236 120.500 -0.085 0.000 3.480 46 R HA -0.124 4.216 4.340 0.000 0.000 0.345 46 R C 0.514 176.865 176.300 0.085 0.000 1.106 46 R CA 0.832 56.955 56.100 0.039 0.000 0.845 46 R CB -1.599 28.743 30.300 0.070 0.000 1.556 46 R HN 0.749 nan 8.270 nan 0.000 0.476 47 R N -1.501 119.013 120.500 0.024 0.000 2.729 47 R HA 0.173 4.513 4.340 0.000 0.000 0.215 47 R C 0.702 176.852 176.300 -0.250 0.000 0.970 47 R CA 0.348 56.424 56.100 -0.040 0.000 1.196 47 R CB 0.286 30.624 30.300 0.063 0.000 1.670 47 R HN 0.034 nan 8.270 nan 0.000 0.575 48 V N 0.913 120.742 119.914 -0.142 0.000 3.647 48 V HA 0.195 4.315 4.120 0.000 0.000 0.279 48 V C 0.895 176.946 176.094 -0.071 0.000 1.314 48 V CA 0.153 62.341 62.300 -0.188 0.000 1.125 48 V CB -0.250 31.503 31.823 -0.118 0.000 0.907 48 V HN 0.467 nan 8.190 nan 0.000 0.434 49 W N 0.591 121.761 121.300 -0.216 0.000 2.329 49 W HA -0.211 4.449 4.660 0.000 0.000 0.324 49 W C 2.359 178.779 176.519 -0.164 0.000 1.222 49 W CA 1.504 58.757 57.345 -0.154 0.000 1.270 49 W CB 0.217 29.606 29.460 -0.118 0.000 1.167 49 W HN 0.217 nan 8.180 nan 0.000 0.467 50 E N 0.333 120.569 120.200 0.059 0.000 2.086 50 E HA -0.325 4.025 4.350 0.000 0.000 0.205 50 E C 1.865 178.445 176.600 -0.035 0.000 1.027 50 E CA 1.886 58.222 56.400 -0.107 0.000 0.830 50 E CB -1.247 28.331 29.700 -0.204 0.000 0.751 50 E HN 0.332 nan 8.360 nan 0.000 0.456 51 L N 1.602 122.762 121.223 -0.105 0.000 1.971 51 L HA -0.244 4.096 4.340 0.000 0.000 0.215 51 L C 2.633 179.536 176.870 0.055 0.000 1.072 51 L CA 2.653 57.464 54.840 -0.049 0.000 0.758 51 L CB -1.029 40.908 42.059 -0.203 0.000 0.889 51 L HN 0.203 nan 8.230 nan 0.000 0.433 52 S N -0.878 114.875 115.700 0.090 0.000 2.365 52 S HA -0.346 4.124 4.470 0.000 0.000 0.225 52 S C 2.132 176.895 174.600 0.272 0.000 1.039 52 S CA 1.626 59.929 58.200 0.171 0.000 1.033 52 S CB -0.871 62.410 63.200 0.134 0.000 0.887 52 S HN 0.535 nan 8.310 nan 0.000 0.447 53 K N 1.805 122.409 120.400 0.340 0.000 2.052 53 K HA -0.228 4.092 4.320 0.000 0.000 0.215 53 K C 2.352 179.009 176.600 0.095 0.000 1.053 53 K CA 1.759 58.122 56.287 0.127 0.000 0.934 53 K CB -0.802 31.581 32.500 -0.195 0.000 0.717 53 K HN 0.503 nan 8.250 nan 0.000 0.450 54 A N 1.360 124.243 122.820 0.105 0.000 1.873 54 A HA -0.168 4.152 4.320 0.000 0.000 0.215 54 A C 1.815 179.503 177.584 0.174 0.000 1.186 54 A CA 1.721 53.834 52.037 0.126 0.000 0.616 54 A CB -0.620 18.490 19.000 0.183 0.000 0.823 54 A HN 0.420 nan 8.150 nan 0.000 0.442 55 N N 0.560 119.392 118.700 0.220 0.000 2.149 55 N HA -0.100 4.640 4.740 0.000 0.000 0.188 55 N C 1.885 177.547 175.510 0.253 0.000 1.019 55 N CA 1.633 54.847 53.050 0.273 0.000 0.857 55 N CB -0.494 38.145 38.487 0.253 0.000 0.997 55 N HN 0.444 nan 8.380 nan 0.000 0.426 56 S N 0.671 116.488 115.700 0.195 0.000 2.402 56 S HA -0.007 4.463 4.470 0.000 0.000 0.229 56 S C 1.931 176.609 174.600 0.130 0.000 1.021 56 S CA 0.704 59.002 58.200 0.164 0.000 0.974 56 S CB 0.065 63.362 63.200 0.161 0.000 0.800 56 S HN 0.313 nan 8.310 nan 0.000 0.484 57 R N 0.388 120.960 120.500 0.120 0.000 2.066 57 R HA -0.004 4.336 4.340 0.000 0.000 0.232 57 R C 2.045 178.394 176.300 0.082 0.000 1.131 57 R CA 1.522 57.670 56.100 0.080 0.000 0.955 57 R CB -0.529 29.805 30.300 0.058 0.000 0.851 57 R HN 0.432 nan 8.270 nan 0.000 0.432 58 F N 1.458 121.410 119.950 0.004 0.000 2.126 58 F HA -0.217 4.310 4.527 0.000 0.000 0.299 58 F C 2.043 177.884 175.800 0.068 0.000 1.096 58 F CA 1.293 59.280 58.000 -0.023 0.000 1.255 58 F CB -0.614 38.346 39.000 -0.067 0.000 0.997 58 F HN 0.039 nan 8.300 nan 0.000 0.479 59 A N 0.517 123.304 122.820 -0.055 0.000 1.837 59 A HA -0.316 4.004 4.320 0.000 0.000 0.216 59 A C 2.351 179.926 177.584 -0.014 0.000 1.210 59 A CA 3.505 55.508 52.037 -0.055 0.000 0.632 59 A CB -1.781 17.281 19.000 0.103 0.000 0.843 59 A HN 0.563 nan 8.150 nan 0.000 0.448 60 T N -2.768 111.822 114.554 0.060 0.000 2.699 60 T HA -0.196 4.154 4.350 0.000 0.000 0.268 60 T C 1.798 176.551 174.700 0.088 0.000 1.036 60 T CA 2.294 64.460 62.100 0.110 0.000 1.147 60 T CB -1.288 67.638 68.868 0.096 0.000 0.862 60 T HN 0.407 nan 8.240 nan 0.000 0.446 61 T N 1.477 116.023 114.554 -0.014 0.000 2.614 61 T HA -0.011 4.339 4.350 0.000 0.000 0.263 61 T C 1.371 176.021 174.700 -0.083 0.000 1.055 61 T CA 1.489 63.560 62.100 -0.048 0.000 1.162 61 T CB -0.722 68.096 68.868 -0.082 0.000 0.863 61 T HN 0.420 nan 8.240 nan 0.000 0.414 62 F N 0.645 120.332 119.950 -0.438 0.000 2.161 62 F HA -0.132 4.396 4.527 0.000 0.000 0.300 62 F C 2.133 177.807 175.800 -0.210 0.000 1.089 62 F CA 0.992 58.710 58.000 -0.470 0.000 1.282 62 F CB -0.483 37.946 39.000 -0.951 0.000 1.010 62 F HN 0.224 nan 8.300 nan 0.000 0.485 63 Y N 1.015 121.322 120.300 0.010 0.000 2.163 63 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 63 Y C 2.564 178.459 175.900 -0.008 0.000 1.136 63 Y CA 2.110 60.233 58.100 0.037 0.000 1.147 63 Y CB -0.743 37.745 38.460 0.048 0.000 0.987 63 Y HN 0.137 nan 8.280 nan 0.000 0.509 64 Q N -0.743 119.127 119.800 0.116 0.000 2.029 64 Q HA -0.339 4.001 4.340 0.000 0.000 0.209 64 Q C 2.269 178.216 176.000 -0.089 0.000 0.999 64 Q CA 1.941 57.772 55.803 0.047 0.000 0.857 64 Q CB -0.744 28.036 28.738 0.070 0.000 0.926 64 Q HN 0.595 nan 8.270 nan 0.000 0.415 65 H N 1.090 120.032 119.070 -0.213 0.000 2.265 65 H HA -0.196 4.360 4.556 0.000 0.000 0.293 65 H C 2.153 177.297 175.328 -0.307 0.000 1.089 65 H CA 2.035 57.930 56.048 -0.256 0.000 1.244 65 H CB -0.503 29.074 29.762 -0.309 0.000 1.355 65 H HN 0.240 nan 8.280 nan 0.000 0.485 66 L N 1.050 122.192 121.223 -0.136 0.000 2.013 66 L HA -0.140 4.200 4.340 0.000 0.000 0.212 66 L C 2.717 179.469 176.870 -0.198 0.000 1.073 66 L CA 2.626 57.339 54.840 -0.212 0.000 0.753 66 L CB -1.295 40.543 42.059 -0.369 0.000 0.890 66 L HN 0.357 nan 8.230 nan 0.000 0.432 67 A N -0.958 121.654 122.820 -0.347 0.000 1.902 67 A HA -0.265 4.055 4.320 0.000 0.000 0.217 67 A C 2.077 179.570 177.584 -0.152 0.000 1.181 67 A CA 1.859 53.717 52.037 -0.299 0.000 0.623 67 A CB -1.063 17.678 19.000 -0.431 0.000 0.818 67 A HN 0.566 nan 8.150 nan 0.000 0.443 68 D N -0.135 120.178 120.400 -0.145 0.000 2.149 68 D HA -0.142 4.498 4.640 0.000 0.000 0.198 68 D C 2.305 178.542 176.300 -0.105 0.000 0.990 68 D CA 1.812 55.740 54.000 -0.121 0.000 0.839 68 D CB -0.055 40.645 40.800 -0.168 0.000 0.948 68 D HN 0.537 nan 8.370 nan 0.000 0.460 69 S N -1.267 114.375 115.700 -0.097 0.000 2.561 69 S HA 0.016 4.486 4.470 0.000 0.000 0.225 69 S C 0.913 175.484 174.600 -0.048 0.000 0.977 69 S CA 0.086 58.248 58.200 -0.063 0.000 0.926 69 S CB 0.136 63.319 63.200 -0.027 0.000 0.769 69 S HN -0.025 nan 8.310 nan 0.000 0.533 70 K N 1.988 122.353 120.400 -0.057 0.000 2.095 70 K HA 0.306 4.626 4.320 0.000 0.000 0.252 70 K C -0.699 175.882 176.600 -0.032 0.000 0.977 70 K CA -0.619 55.643 56.287 -0.042 0.000 0.900 70 K CB 0.900 33.370 32.500 -0.051 0.000 1.060 70 K HN 0.296 nan 8.250 nan 0.000 0.449 71 N N 1.127 119.815 118.700 -0.020 0.000 2.472 71 N HA -0.015 4.725 4.740 0.000 0.000 0.277 71 N C 0.201 175.709 175.510 -0.003 0.000 1.081 71 N CA 0.225 53.269 53.050 -0.011 0.000 0.973 71 N CB 0.860 39.342 38.487 -0.008 0.000 1.105 71 N HN 0.362 nan 8.380 nan 0.000 0.470 72 D N 1.799 122.202 120.400 0.006 0.000 2.244 72 D HA -0.215 4.425 4.640 0.000 0.000 0.197 72 D C 0.540 176.857 176.300 0.028 0.000 1.006 72 D CA 1.311 55.324 54.000 0.022 0.000 0.888 72 D CB 0.023 40.841 40.800 0.030 0.000 0.912 72 D HN 0.607 nan 8.370 nan 0.000 0.452 73 N N 0.744 119.457 118.700 0.021 0.000 2.461 73 N HA -0.038 4.702 4.740 0.000 0.000 0.188 73 N C -0.305 175.201 175.510 -0.006 0.000 1.134 73 N CA 0.376 53.437 53.050 0.018 0.000 0.878 73 N CB 0.373 38.871 38.487 0.017 0.000 0.972 73 N HN 0.221 nan 8.380 nan 0.000 0.456 74 D N 0.714 121.108 120.400 -0.009 0.000 2.193 74 D HA 0.229 4.869 4.640 0.000 0.000 0.249 74 D C -0.047 176.238 176.300 -0.025 0.000 1.034 74 D CA -0.219 53.769 54.000 -0.020 0.000 0.902 74 D CB 1.035 41.827 40.800 -0.015 0.000 1.182 74 D HN 0.026 nan 8.370 nan 0.000 0.436 75 N N 0.355 119.033 118.700 -0.037 0.000 2.515 75 N HA 0.499 5.239 4.740 0.000 0.000 0.279 75 N C -0.412 175.126 175.510 0.046 0.000 1.164 75 N CA -0.388 52.640 53.050 -0.037 0.000 0.982 75 N CB 1.522 39.956 38.487 -0.088 0.000 1.170 75 N HN 0.255 nan 8.380 nan 0.000 0.474 76 I N 1.269 121.910 120.570 0.117 0.000 2.582 76 I HA 0.425 4.595 4.170 0.000 0.000 0.292 76 I C -1.474 174.888 176.117 0.409 0.000 1.066 76 I CA -0.687 60.769 61.300 0.260 0.000 1.053 76 I CB 1.637 39.804 38.000 0.278 0.000 1.241 76 I HN 0.426 nan 8.210 nan 0.000 0.421 77 F N 7.967 128.114 119.950 0.329 0.000 2.588 77 F HA 0.752 5.279 4.527 0.000 0.000 0.318 77 F C -1.630 174.482 175.800 0.519 0.000 1.155 77 F CA -0.691 57.512 58.000 0.338 0.000 0.967 77 F CB 1.562 40.692 39.000 0.217 0.000 1.236 77 F HN 0.318 nan 8.300 nan 0.000 0.455 78 L N 2.355 123.410 121.223 -0.280 0.000 2.775 78 L HA 0.728 5.068 4.340 0.000 0.000 0.263 78 L C -1.487 175.312 176.870 -0.118 0.000 1.017 78 L CA -0.799 53.985 54.840 -0.093 0.000 0.891 78 L CB 1.887 43.856 42.059 -0.150 0.000 1.482 78 L HN 0.432 nan 8.230 nan 0.000 0.410 79 S N 1.019 116.790 115.700 0.119 0.000 2.505 79 S HA 0.567 5.038 4.470 0.000 0.000 0.280 79 S C -1.775 172.664 174.600 -0.268 0.000 1.197 79 S CA -1.304 56.780 58.200 -0.193 0.000 1.138 79 S CB 0.563 63.522 63.200 -0.401 0.000 1.010 79 S HN 0.649 nan 8.310 nan 0.000 0.480 80 P HA -0.124 nan 4.420 nan 0.000 0.218 80 P C 1.645 178.959 177.300 0.023 0.000 1.148 80 P CA 0.629 63.678 63.100 -0.086 0.000 0.822 80 P CB 0.107 31.806 31.700 -0.003 0.000 0.784 81 L N -0.565 120.637 121.223 -0.035 0.000 1.989 81 L HA -0.197 4.143 4.340 0.000 0.000 0.211 81 L C 2.651 179.547 176.870 0.045 0.000 1.071 81 L CA 1.842 56.705 54.840 0.039 0.000 0.749 81 L CB -0.922 41.104 42.059 -0.054 0.000 0.890 81 L HN 0.015 nan 8.230 nan 0.000 0.431 82 S N -0.201 115.455 115.700 -0.072 0.000 2.368 82 S HA -0.222 4.248 4.470 0.000 0.000 0.226 82 S C 1.918 176.457 174.600 -0.102 0.000 1.044 82 S CA 1.698 59.857 58.200 -0.068 0.000 1.062 82 S CB -0.223 62.901 63.200 -0.127 0.000 0.931 82 S HN 0.314 nan 8.310 nan 0.000 0.440 83 I N 1.510 121.971 120.570 -0.182 0.000 2.113 83 I HA -0.173 3.997 4.170 0.000 0.000 0.242 83 I C 2.484 178.578 176.117 -0.039 0.000 1.064 83 I CA 1.582 62.834 61.300 -0.079 0.000 1.320 83 I CB -1.932 36.038 38.000 -0.049 0.000 1.028 83 I HN 0.250 nan 8.210 nan 0.000 0.406 84 S N 0.380 116.076 115.700 -0.006 0.000 2.368 84 S HA -0.143 4.327 4.470 0.000 0.000 0.225 84 S C 2.004 176.559 174.600 -0.075 0.000 1.030 84 S CA 1.849 60.042 58.200 -0.011 0.000 0.999 84 S CB -0.514 62.878 63.200 0.320 0.000 0.844 84 S HN 0.543 nan 8.310 nan 0.000 0.459 85 T N 2.520 117.002 114.554 -0.120 0.000 2.788 85 T HA -0.045 4.305 4.350 0.000 0.000 0.268 85 T C 2.137 176.518 174.700 -0.531 0.000 1.044 85 T CA 1.207 63.028 62.100 -0.465 0.000 1.139 85 T CB -0.510 68.288 68.868 -0.116 0.000 0.867 85 T HN 0.466 nan 8.240 nan 0.000 0.454 86 A N 0.976 123.577 122.820 -0.365 0.000 1.877 86 A HA 0.031 4.351 4.320 0.000 0.000 0.216 86 A C 1.983 179.182 177.584 -0.641 0.000 1.186 86 A CA 1.224 52.990 52.037 -0.452 0.000 0.620 86 A CB -1.007 17.799 19.000 -0.324 0.000 0.822 86 A HN 0.447 nan 8.150 nan 0.000 0.443 87 F N 0.127 119.765 119.950 -0.519 0.000 2.234 87 F HA -0.034 4.493 4.527 0.000 0.000 0.299 87 F C 2.730 178.267 175.800 -0.439 0.000 1.087 87 F CA 0.933 58.569 58.000 -0.607 0.000 1.340 87 F CB -0.287 37.929 39.000 -1.306 0.000 1.031 87 F HN 0.261 nan 8.300 nan 0.000 0.500 88 A N -0.189 122.425 122.820 -0.343 0.000 1.930 88 A HA -0.193 4.127 4.320 0.000 0.000 0.217 88 A C 2.285 179.638 177.584 -0.385 0.000 1.175 88 A CA 1.557 53.396 52.037 -0.329 0.000 0.627 88 A CB -0.661 18.038 19.000 -0.500 0.000 0.815 88 A HN 0.367 nan 8.150 nan 0.000 0.443 89 M N -0.410 118.708 119.600 -0.803 0.000 2.099 89 M HA -0.114 4.366 4.480 0.000 0.000 0.262 89 M C 1.933 178.015 176.300 -0.363 0.000 1.067 89 M CA 2.353 57.116 55.300 -0.895 0.000 1.124 89 M CB -0.953 30.932 32.600 -1.191 0.000 1.353 89 M HN 0.377 nan 8.290 nan 0.000 0.410 90 T N 1.421 115.771 114.554 -0.340 0.000 2.833 90 T HA -0.171 4.179 4.350 0.000 0.000 0.269 90 T C 1.688 176.303 174.700 -0.142 0.000 1.054 90 T CA 1.810 63.810 62.100 -0.165 0.000 1.135 90 T CB -0.400 68.278 68.868 -0.318 0.000 0.869 90 T HN 0.521 nan 8.240 nan 0.000 0.466 91 K N 0.898 121.215 120.400 -0.138 0.000 2.281 91 K HA -0.119 4.201 4.320 0.000 0.000 0.203 91 K C 1.945 178.460 176.600 -0.141 0.000 1.046 91 K CA 0.869 57.115 56.287 -0.068 0.000 0.938 91 K CB -0.319 32.201 32.500 0.033 0.000 0.737 91 K HN 0.164 nan 8.250 nan 0.000 0.458 92 L N 1.299 122.364 121.223 -0.264 0.000 2.043 92 L HA -0.116 4.224 4.340 0.000 0.000 0.212 92 L C 2.266 178.733 176.870 -0.672 0.000 1.075 92 L CA 2.305 56.887 54.840 -0.429 0.000 0.752 92 L CB -1.121 40.664 42.059 -0.457 0.000 0.891 92 L HN 0.500 nan 8.230 nan 0.000 0.432 93 G N -2.243 105.935 108.800 -1.036 0.000 3.393 93 G HA2 0.430 4.390 3.960 0.000 0.000 0.255 93 G HA3 0.430 4.390 3.960 0.000 0.000 0.255 93 G C 0.328 175.027 174.900 -0.335 0.000 1.097 93 G CA 0.443 45.036 45.100 -0.845 0.000 0.780 93 G HN 0.439 nan 8.290 nan 0.000 0.540 94 A N -0.701 121.982 122.820 -0.229 0.000 2.303 94 A HA 0.723 5.043 4.320 0.000 0.000 0.317 94 A C -0.535 177.008 177.584 -0.067 0.000 1.149 94 A CA -0.505 51.470 52.037 -0.104 0.000 0.822 94 A CB 1.290 20.256 19.000 -0.057 0.000 1.131 94 A HN 0.299 nan 8.150 nan 0.000 0.493 95 c N 0.896 119.473 118.600 -0.040 0.000 3.213 95 c HA 0.497 5.067 4.570 0.000 0.000 0.319 95 c C -0.062 174.021 174.090 -0.011 0.000 1.386 95 c CA -0.776 55.541 56.329 -0.021 0.000 1.494 95 c CB 1.293 43.791 42.510 -0.021 0.000 1.905 95 c HN 1.079 nan 8.230 nan 0.000 0.456 96 N N 2.346 121.045 118.700 -0.002 0.000 1.628 96 N HA -0.189 4.551 4.740 0.000 0.000 0.321 96 N C -0.127 175.374 175.510 -0.016 0.000 1.268 96 N CA 1.555 54.603 53.050 -0.004 0.000 0.886 96 N CB -0.128 38.365 38.487 0.011 0.000 1.182 96 N HN 0.872 nan 8.380 nan 0.000 0.495 97 D N -0.086 120.292 120.400 -0.036 0.000 2.309 97 D HA -0.178 4.462 4.640 0.000 0.000 0.250 97 D C 0.904 177.186 176.300 -0.030 0.000 0.813 97 D CA 1.837 55.814 54.000 -0.039 0.000 1.614 97 D CB -1.399 39.389 40.800 -0.021 0.000 1.373 97 D HN 0.509 nan 8.370 nan 0.000 0.708 98 T N 0.701 115.245 114.554 -0.016 0.000 2.708 98 T HA -0.128 4.223 4.350 0.000 0.000 0.266 98 T C 1.798 176.501 174.700 0.005 0.000 1.037 98 T CA 1.700 63.794 62.100 -0.010 0.000 1.146 98 T CB -0.325 68.534 68.868 -0.015 0.000 0.865 98 T HN 0.237 nan 8.240 nan 0.000 0.435 99 L N 1.196 122.418 121.223 -0.001 0.000 2.046 99 L HA -0.054 4.286 4.340 0.000 0.000 0.208 99 L C 2.393 179.272 176.870 0.016 0.000 1.077 99 L CA 1.675 56.527 54.840 0.019 0.000 0.747 99 L CB -0.827 41.240 42.059 0.013 0.000 0.896 99 L HN 0.085 nan 8.230 nan 0.000 0.432 100 Q N -0.282 119.481 119.800 -0.060 0.000 2.050 100 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 100 Q C 2.216 178.176 176.000 -0.067 0.000 0.980 100 Q CA 2.071 57.778 55.803 -0.159 0.000 0.840 100 Q CB -0.504 28.076 28.738 -0.263 0.000 0.898 100 Q HN 0.683 nan 8.270 nan 0.000 0.424 101 Q N 0.214 119.999 119.800 -0.025 0.000 2.084 101 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 101 Q C 2.379 178.422 176.000 0.072 0.000 0.978 101 Q CA 0.950 56.758 55.803 0.008 0.000 0.844 101 Q CB -0.200 28.546 28.738 0.015 0.000 0.898 101 Q HN 0.287 nan 8.270 nan 0.000 0.426 102 L N -0.028 121.280 121.223 0.142 0.000 1.956 102 L HA -0.273 4.067 4.340 0.000 0.000 0.216 102 L C 2.565 179.657 176.870 0.371 0.000 1.073 102 L CA 1.098 56.121 54.840 0.306 0.000 0.762 102 L CB -0.531 41.690 42.059 0.270 0.000 0.889 102 L HN 0.355 nan 8.230 nan 0.000 0.433 103 M N -0.542 119.252 119.600 0.323 0.000 2.082 103 M HA -0.247 4.233 4.480 0.000 0.000 0.258 103 M C 2.145 178.532 176.300 0.145 0.000 1.071 103 M CA 1.868 57.389 55.300 0.368 0.000 1.103 103 M CB -1.365 31.408 32.600 0.288 0.000 1.307 103 M HN 0.304 nan 8.290 nan 0.000 0.409 104 E N 0.203 120.443 120.200 0.067 0.000 2.013 104 E HA -0.184 4.166 4.350 0.000 0.000 0.202 104 E C 2.140 178.693 176.600 -0.079 0.000 1.018 104 E CA 1.718 58.119 56.400 0.002 0.000 0.834 104 E CB -0.475 29.216 29.700 -0.015 0.000 0.770 104 E HN 0.272 nan 8.360 nan 0.000 0.459 105 V N 0.668 120.500 119.914 -0.137 0.000 2.324 105 V HA -0.245 3.875 4.120 0.000 0.000 0.250 105 V C 1.820 177.540 176.094 -0.623 0.000 1.060 105 V CA 1.765 63.856 62.300 -0.347 0.000 1.042 105 V CB -0.515 31.021 31.823 -0.478 0.000 0.650 105 V HN 0.202 nan 8.190 nan 0.000 0.450 106 F N -0.058 119.621 119.950 -0.451 0.000 2.732 106 F HA 0.234 4.762 4.527 0.000 0.000 0.303 106 F C 1.327 176.622 175.800 -0.841 0.000 1.110 106 F CA -0.189 57.247 58.000 -0.940 0.000 1.355 106 F CB -0.052 38.078 39.000 -1.451 0.000 1.081 106 F HN 0.013 nan 8.300 nan 0.000 0.565 107 K N -1.816 118.406 120.400 -0.297 0.000 3.349 107 K HA -0.260 4.060 4.320 0.000 0.000 0.310 107 K C 0.787 177.397 176.600 0.016 0.000 1.267 107 K CA 0.737 56.969 56.287 -0.092 0.000 0.920 107 K CB -2.822 29.674 32.500 -0.008 0.000 1.240 107 K HN 0.297 nan 8.250 nan 0.000 0.453 108 F N 2.105 122.153 119.950 0.164 0.000 2.307 108 F HA -0.157 4.370 4.527 0.000 0.000 0.301 108 F C 2.255 178.133 175.800 0.129 0.000 1.076 108 F CA 1.708 59.801 58.000 0.156 0.000 1.383 108 F CB -0.543 38.560 39.000 0.171 0.000 1.055 108 F HN 0.259 nan 8.300 nan 0.000 0.526 109 D N -0.715 119.846 120.400 0.267 0.000 2.123 109 D HA -0.160 4.480 4.640 0.000 0.000 0.200 109 D C 1.998 178.385 176.300 0.145 0.000 0.976 109 D CA 1.750 55.876 54.000 0.210 0.000 0.831 109 D CB -1.740 39.174 40.800 0.190 0.000 0.974 109 D HN 0.330 nan 8.370 nan 0.000 0.469 110 T N -1.476 113.141 114.554 0.106 0.000 2.946 110 T HA -0.112 4.238 4.350 0.000 0.000 0.271 110 T C 1.280 176.010 174.700 0.050 0.000 1.104 110 T CA -0.201 61.935 62.100 0.060 0.000 1.114 110 T CB -0.640 68.251 68.868 0.038 0.000 0.867 110 T HN -0.004 nan 8.240 nan 0.000 0.513 111 I N 2.577 123.203 120.570 0.093 0.000 3.696 111 I HA -0.051 4.120 4.170 0.000 0.000 0.225 111 I C 0.768 176.907 176.117 0.036 0.000 1.383 111 I CA -0.295 61.053 61.300 0.079 0.000 1.099 111 I CB 0.105 38.193 38.000 0.146 0.000 1.489 111 I HN 0.254 nan 8.210 nan 0.000 0.798 112 S N 3.102 118.815 115.700 0.021 0.000 2.912 112 S HA 0.479 4.950 4.470 0.000 0.000 0.184 112 S C -0.231 174.388 174.600 0.032 0.000 1.390 112 S CA -0.468 57.734 58.200 0.004 0.000 1.088 112 S CB -0.317 62.858 63.200 -0.041 0.000 1.284 112 S HN 0.611 nan 8.310 nan 0.000 0.502 113 E N 1.100 121.326 120.200 0.042 0.000 3.284 113 E HA -0.209 4.142 4.350 0.000 0.000 0.234 113 E C -0.159 176.478 176.600 0.062 0.000 1.308 113 E CA -0.137 56.286 56.400 0.039 0.000 1.902 113 E CB -0.827 28.889 29.700 0.028 0.000 2.045 113 E HN 0.451 nan 8.360 nan 0.000 0.563 114 K N -2.003 118.427 120.400 0.049 0.000 3.846 114 K HA -0.186 4.134 4.320 0.000 0.000 0.381 114 K C -0.415 176.203 176.600 0.031 0.000 1.736 114 K CA 1.450 57.768 56.287 0.052 0.000 0.710 114 K CB -1.710 30.849 32.500 0.098 0.000 1.070 114 K HN 0.993 nan 8.250 nan 0.000 0.593 115 T N -2.441 112.136 114.554 0.038 0.000 2.906 115 T HA 0.567 4.917 4.350 0.000 0.000 0.295 115 T C 0.720 175.437 174.700 0.027 0.000 1.061 115 T CA -0.141 61.974 62.100 0.025 0.000 1.000 115 T CB 1.978 70.845 68.868 -0.002 0.000 1.103 115 T HN 0.743 nan 8.240 nan 0.000 0.486 116 S N 0.544 116.260 115.700 0.026 0.000 2.496 116 S HA -0.011 4.459 4.470 0.000 0.000 0.224 116 S C 1.310 175.808 174.600 -0.170 0.000 0.996 116 S CA 0.944 59.136 58.200 -0.012 0.000 0.927 116 S CB -0.514 62.720 63.200 0.057 0.000 0.774 116 S HN 0.849 nan 8.310 nan 0.000 0.524 117 D N 1.496 121.834 120.400 -0.104 0.000 2.234 117 D HA -0.059 4.581 4.640 0.000 0.000 0.205 117 D C 2.007 178.200 176.300 -0.178 0.000 0.962 117 D CA 0.639 54.579 54.000 -0.100 0.000 0.855 117 D CB -0.256 40.575 40.800 0.053 0.000 0.951 117 D HN 0.472 nan 8.370 nan 0.000 0.500 118 Q N -0.201 119.510 119.800 -0.149 0.000 2.364 118 Q HA -0.079 4.261 4.340 0.000 0.000 0.209 118 Q C 1.845 177.682 176.000 -0.272 0.000 0.977 118 Q CA 0.620 56.296 55.803 -0.212 0.000 0.885 118 Q CB 0.058 28.721 28.738 -0.123 0.000 0.941 118 Q HN 0.473 nan 8.270 nan 0.000 0.464 119 I N 0.132 120.576 120.570 -0.210 0.000 2.315 119 I HA -0.279 3.891 4.170 0.000 0.000 0.248 119 I C 1.801 177.897 176.117 -0.035 0.000 1.117 119 I CA 0.906 62.137 61.300 -0.115 0.000 1.404 119 I CB -0.664 37.116 38.000 -0.366 0.000 1.071 119 I HN 0.344 nan 8.210 nan 0.000 0.419 120 H N 0.198 119.315 119.070 0.079 0.000 2.353 120 H HA -0.186 4.370 4.556 0.000 0.000 0.300 120 H C 2.114 177.387 175.328 -0.092 0.000 1.090 120 H CA 1.427 57.497 56.048 0.037 0.000 1.327 120 H CB -0.859 28.920 29.762 0.028 0.000 1.383 120 H HN 0.293 nan 8.280 nan 0.000 0.508 121 F N 1.651 121.490 119.950 -0.186 0.000 2.126 121 F HA -0.206 4.321 4.527 0.000 0.000 0.299 121 F C 1.974 177.645 175.800 -0.216 0.000 1.096 121 F CA 0.999 58.830 58.000 -0.282 0.000 1.255 121 F CB -0.587 38.144 39.000 -0.449 0.000 0.997 121 F HN -0.108 nan 8.300 nan 0.000 0.479 122 F N -0.827 119.026 119.950 -0.163 0.000 2.186 122 F HA -0.109 4.418 4.527 0.000 0.000 0.299 122 F C 2.231 177.851 175.800 -0.299 0.000 1.090 122 F CA 0.957 58.789 58.000 -0.281 0.000 1.307 122 F CB -1.582 37.323 39.000 -0.160 0.000 1.019 122 F HN -0.053 nan 8.300 nan 0.000 0.489 123 F N 0.292 120.217 119.950 -0.041 0.000 2.186 123 F HA -0.096 4.432 4.527 0.000 0.000 0.299 123 F C 2.460 178.128 175.800 -0.220 0.000 1.090 123 F CA 0.952 58.897 58.000 -0.091 0.000 1.307 123 F CB -1.044 37.915 39.000 -0.069 0.000 1.019 123 F HN -0.054 nan 8.300 nan 0.000 0.489 124 A N -0.069 122.643 122.820 -0.181 0.000 1.865 124 A HA -0.202 4.118 4.320 0.000 0.000 0.217 124 A C 2.342 179.893 177.584 -0.054 0.000 1.191 124 A CA 1.654 53.549 52.037 -0.237 0.000 0.623 124 A CB -0.494 18.191 19.000 -0.525 0.000 0.826 124 A HN 0.108 nan 8.150 nan 0.000 0.444 125 K N -0.572 119.700 120.400 -0.214 0.000 2.026 125 K HA -0.086 4.234 4.320 0.000 0.000 0.208 125 K C 1.956 178.504 176.600 -0.086 0.000 1.048 125 K CA 1.387 57.568 56.287 -0.177 0.000 0.929 125 K CB -1.093 31.228 32.500 -0.298 0.000 0.713 125 K HN 0.477 nan 8.250 nan 0.000 0.439 126 L N 1.715 122.886 121.223 -0.087 0.000 1.994 126 L HA -0.194 4.146 4.340 0.000 0.000 0.208 126 L C 1.579 178.432 176.870 -0.028 0.000 1.071 126 L CA 1.826 56.617 54.840 -0.081 0.000 0.745 126 L CB -0.626 41.335 42.059 -0.163 0.000 0.892 126 L HN 0.233 nan 8.230 nan 0.000 0.431 127 N N -0.931 117.814 118.700 0.075 0.000 2.013 127 N HA -0.297 4.443 4.740 0.000 0.000 0.195 127 N C 2.117 177.683 175.510 0.093 0.000 1.051 127 N CA 1.735 54.882 53.050 0.162 0.000 0.851 127 N CB -0.713 37.935 38.487 0.269 0.000 1.044 127 N HN 0.654 nan 8.380 nan 0.000 0.422 128 c N 1.746 120.400 118.600 0.089 0.000 2.383 128 c HA -0.252 4.318 4.570 0.000 0.000 0.271 128 c C 2.611 176.717 174.090 0.028 0.000 1.138 128 c CA 1.935 58.307 56.329 0.072 0.000 1.836 128 c CB -1.091 41.453 42.510 0.056 0.000 2.155 128 c HN 0.462 nan 8.230 nan 0.000 0.460 129 R N -0.713 119.772 120.500 -0.025 0.000 2.156 129 R HA 0.154 4.494 4.340 0.000 0.000 0.207 129 R C 2.064 178.289 176.300 -0.125 0.000 1.040 129 R CA 0.881 56.948 56.100 -0.055 0.000 1.013 129 R CB -0.673 29.589 30.300 -0.062 0.000 0.931 129 R HN 0.430 nan 8.270 nan 0.000 0.465 130 L N 0.168 121.242 121.223 -0.248 0.000 1.990 130 L HA -0.078 4.263 4.340 0.000 0.000 0.213 130 L C 0.041 176.528 176.870 -0.638 0.000 1.072 130 L CA 1.748 56.244 54.840 -0.573 0.000 0.755 130 L CB -0.630 40.849 42.059 -0.966 0.000 0.889 130 L HN 0.181 nan 8.230 nan 0.000 0.432 131 Y N -0.065 120.272 120.300 0.062 0.000 2.468 131 Y HA 0.664 5.214 4.550 0.000 0.000 0.342 131 Y C 0.187 176.121 175.900 0.056 0.000 1.021 131 Y CA -1.377 56.764 58.100 0.069 0.000 1.079 131 Y CB 1.204 39.713 38.460 0.081 0.000 1.226 131 Y HN 0.113 nan 8.280 nan 0.000 0.460 132 R N 0.763 121.373 120.500 0.184 0.000 3.652 132 R HA 0.108 4.448 4.340 0.000 0.000 0.274 132 R C -1.597 174.755 176.300 0.087 0.000 0.967 132 R CA -1.115 55.054 56.100 0.114 0.000 0.907 132 R CB 0.325 30.670 30.300 0.075 0.000 1.311 132 R HN 0.739 nan 8.270 nan 0.000 0.552 133 K N 1.570 122.010 120.400 0.067 0.000 2.580 133 K HA 0.355 4.675 4.320 0.000 0.000 0.278 133 K C -0.856 175.773 176.600 0.047 0.000 0.960 133 K CA 1.102 57.420 56.287 0.053 0.000 0.988 133 K CB 0.003 32.527 32.500 0.040 0.000 0.887 133 K HN 1.058 nan 8.250 nan 0.000 0.509 134 A N 2.920 125.765 122.820 0.043 0.000 2.549 134 A HA 0.128 4.448 4.320 0.000 0.000 0.306 134 A C -0.291 177.313 177.584 0.034 0.000 1.053 134 A CA -0.627 51.433 52.037 0.039 0.000 0.892 134 A CB 0.796 19.823 19.000 0.045 0.000 1.329 134 A HN 0.823 nan 8.150 nan 0.000 0.388 135 N N 0.487 119.204 118.700 0.029 0.000 2.550 135 N HA -0.003 4.737 4.740 0.000 0.000 0.186 135 N C -0.241 175.285 175.510 0.027 0.000 1.110 135 N CA 0.976 54.041 53.050 0.026 0.000 0.912 135 N CB 0.097 38.598 38.487 0.022 0.000 0.968 135 N HN 0.471 nan 8.380 nan 0.000 0.448 136 K N 0.247 120.666 120.400 0.031 0.000 2.413 136 K HA 0.264 4.585 4.320 0.000 0.000 0.257 136 K C -0.753 175.868 176.600 0.035 0.000 0.946 136 K CA -0.466 55.841 56.287 0.033 0.000 0.823 136 K CB 1.718 34.240 32.500 0.038 0.000 1.109 136 K HN -0.190 nan 8.250 nan 0.000 0.427 137 S N 0.978 116.693 115.700 0.025 0.000 2.549 137 S HA 0.171 4.641 4.470 0.000 0.000 0.283 137 S C 0.447 175.051 174.600 0.007 0.000 1.320 137 S CA 0.296 58.502 58.200 0.011 0.000 1.058 137 S CB 0.173 63.368 63.200 -0.008 0.000 0.882 137 S HN 0.645 nan 8.310 nan 0.000 0.498 138 S N 2.896 118.589 115.700 -0.012 0.000 4.066 138 S HA 0.011 4.482 4.470 0.000 0.000 0.088 138 S C -0.490 174.114 174.600 0.007 0.000 0.858 138 S CA -0.732 57.450 58.200 -0.030 0.000 0.838 138 S CB -0.985 62.263 63.200 0.081 0.000 0.964 138 S HN 0.814 nan 8.310 nan 0.000 0.735 139 K N 1.114 121.495 120.400 -0.032 0.000 2.569 139 K HA 0.302 4.622 4.320 0.000 0.000 0.280 139 K C -0.439 176.230 176.600 0.116 0.000 0.984 139 K CA -0.005 56.304 56.287 0.037 0.000 1.064 139 K CB 0.211 32.742 32.500 0.052 0.000 0.866 139 K HN 0.256 nan 8.250 nan 0.000 0.492 140 L N 3.992 125.355 121.223 0.234 0.000 2.372 140 L HA 0.337 4.677 4.340 0.000 0.000 0.273 140 L C -1.508 175.631 176.870 0.447 0.000 0.989 140 L CA -0.598 54.469 54.840 0.377 0.000 0.841 140 L CB 2.066 44.332 42.059 0.345 0.000 1.225 140 L HN 0.636 nan 8.230 nan 0.000 0.414 141 V N 2.884 123.020 119.914 0.369 0.000 2.459 141 V HA 0.555 4.675 4.120 0.000 0.000 0.295 141 V C 0.022 176.143 176.094 0.046 0.000 1.029 141 V CA -0.616 61.808 62.300 0.207 0.000 0.874 141 V CB 1.794 33.749 31.823 0.221 0.000 0.985 141 V HN 0.738 nan 8.190 nan 0.000 0.438 142 S N 3.545 119.064 115.700 -0.302 0.000 2.429 142 S HA 0.724 5.194 4.470 0.000 0.000 0.302 142 S C -0.063 174.456 174.600 -0.135 0.000 1.115 142 S CA -0.236 57.748 58.200 -0.360 0.000 1.095 142 S CB 0.779 63.468 63.200 -0.851 0.000 0.987 142 S HN 1.105 nan 8.310 nan 0.000 0.474 143 A N 5.058 127.851 122.820 -0.045 0.000 2.328 143 A HA 0.598 4.918 4.320 0.000 0.000 0.318 143 A C -0.382 177.318 177.584 0.193 0.000 1.347 143 A CA -0.719 51.312 52.037 -0.009 0.000 0.842 143 A CB 0.060 18.890 19.000 -0.284 0.000 1.148 143 A HN 0.718 nan 8.150 nan 0.000 0.499 144 N N 1.625 120.479 118.700 0.256 0.000 2.576 144 N HA 0.400 5.140 4.740 0.000 0.000 0.269 144 N C -1.052 174.463 175.510 0.008 0.000 1.058 144 N CA -0.213 52.904 53.050 0.111 0.000 0.860 144 N CB 0.906 39.377 38.487 -0.026 0.000 1.249 144 N HN 0.671 nan 8.380 nan 0.000 0.525 145 R N 2.810 123.271 120.500 -0.065 0.000 2.564 145 R HA 0.482 4.822 4.340 0.000 0.000 0.284 145 R C -1.675 174.249 176.300 -0.626 0.000 1.031 145 R CA -0.805 54.978 56.100 -0.528 0.000 0.904 145 R CB 1.175 30.843 30.300 -1.053 0.000 1.199 145 R HN 0.388 nan 8.270 nan 0.000 0.443 146 L N 5.024 125.839 121.223 -0.680 0.000 2.272 146 L HA 0.532 4.872 4.340 0.000 0.000 0.289 146 L C -1.621 174.928 176.870 -0.535 0.000 1.032 146 L CA 0.011 54.589 54.840 -0.437 0.000 0.810 146 L CB 0.820 42.690 42.059 -0.314 0.000 1.205 146 L HN 0.487 nan 8.230 nan 0.000 0.422 147 F N 3.616 123.571 119.950 0.007 0.000 2.420 147 F HA 0.763 5.290 4.527 0.000 0.000 0.342 147 F C 1.002 176.847 175.800 0.075 0.000 1.113 147 F CA -0.296 57.733 58.000 0.048 0.000 1.059 147 F CB 1.715 40.855 39.000 0.233 0.000 1.128 147 F HN 0.597 nan 8.300 nan 0.000 0.475 148 G N 1.296 110.152 108.800 0.094 0.000 2.574 148 G HA2 0.412 4.372 3.960 0.000 0.000 0.299 148 G HA3 0.412 4.372 3.960 0.000 0.000 0.299 148 G C -2.024 172.580 174.900 -0.492 0.000 1.298 148 G CA -0.765 44.292 45.100 -0.072 0.000 0.952 148 G HN 0.566 nan 8.290 nan 0.000 0.477 149 D N -0.347 119.765 120.400 -0.480 0.000 2.345 149 D HA 0.191 4.831 4.640 0.000 0.000 0.247 149 D C 1.494 177.635 176.300 -0.266 0.000 1.108 149 D CA -0.325 53.389 54.000 -0.477 0.000 0.894 149 D CB 1.095 41.750 40.800 -0.241 0.000 1.203 149 D HN 0.278 nan 8.370 nan 0.000 0.430 150 K N 0.800 121.077 120.400 -0.206 0.000 2.228 150 K HA -0.205 4.116 4.320 0.000 0.000 0.205 150 K C 1.836 178.374 176.600 -0.102 0.000 1.045 150 K CA 1.539 57.754 56.287 -0.119 0.000 0.931 150 K CB -0.115 32.337 32.500 -0.080 0.000 0.727 150 K HN 0.541 nan 8.250 nan 0.000 0.458 151 S N 0.344 115.979 115.700 -0.108 0.000 2.474 151 S HA -0.044 4.426 4.470 0.000 0.000 0.235 151 S C 0.718 175.241 174.600 -0.128 0.000 0.997 151 S CA 0.315 58.459 58.200 -0.092 0.000 0.949 151 S CB -0.209 62.952 63.200 -0.065 0.000 0.766 151 S HN 0.103 nan 8.310 nan 0.000 0.517 152 L N 2.205 123.314 121.223 -0.190 0.000 2.275 152 L HA 0.431 4.771 4.340 0.000 0.000 0.288 152 L C -0.403 176.258 176.870 -0.348 0.000 1.046 152 L CA -0.289 54.360 54.840 -0.318 0.000 0.805 152 L CB 1.307 43.090 42.059 -0.460 0.000 1.193 152 L HN 0.078 nan 8.230 nan 0.000 0.426 153 T N 3.330 117.689 114.554 -0.325 0.000 2.771 153 T HA 0.531 4.882 4.350 0.000 0.000 0.281 153 T C -0.428 174.128 174.700 -0.241 0.000 0.982 153 T CA -0.235 61.754 62.100 -0.185 0.000 0.978 153 T CB 0.637 69.452 68.868 -0.088 0.000 0.930 153 T HN 0.099 nan 8.240 nan 0.000 0.447 154 F N 2.955 122.858 119.950 -0.078 0.000 2.404 154 F HA 0.359 4.886 4.527 0.000 0.000 0.339 154 F C 1.153 176.945 175.800 -0.013 0.000 1.105 154 F CA -1.074 56.888 58.000 -0.064 0.000 1.087 154 F CB 0.807 39.677 39.000 -0.217 0.000 1.143 154 F HN 0.429 nan 8.300 nan 0.000 0.491 155 N N 2.923 121.773 118.700 0.249 0.000 2.395 155 N HA -0.093 4.647 4.740 0.000 0.000 0.246 155 N C 1.113 176.706 175.510 0.138 0.000 1.246 155 N CA 0.113 53.260 53.050 0.162 0.000 0.879 155 N CB 0.798 39.377 38.487 0.153 0.000 1.098 155 N HN 0.738 nan 8.380 nan 0.000 0.444 156 E N 2.192 122.438 120.200 0.077 0.000 2.058 156 E HA -0.178 4.172 4.350 0.000 0.000 0.194 156 E C 1.410 178.038 176.600 0.047 0.000 0.997 156 E CA 1.716 58.143 56.400 0.044 0.000 0.801 156 E CB -0.918 28.796 29.700 0.024 0.000 0.746 156 E HN 0.655 nan 8.360 nan 0.000 0.450 157 T N 1.212 115.803 114.554 0.061 0.000 2.708 157 T HA -0.182 4.168 4.350 0.000 0.000 0.266 157 T C 1.629 176.388 174.700 0.098 0.000 1.037 157 T CA 1.324 63.456 62.100 0.054 0.000 1.146 157 T CB -0.572 68.316 68.868 0.033 0.000 0.865 157 T HN 0.175 nan 8.240 nan 0.000 0.435 158 Y N 2.286 122.561 120.300 -0.042 0.000 2.081 158 Y HA -0.208 4.342 4.550 0.000 0.000 0.280 158 Y C 2.456 178.294 175.900 -0.104 0.000 1.163 158 Y CA 1.288 59.349 58.100 -0.065 0.000 1.135 158 Y CB -0.949 37.507 38.460 -0.006 0.000 0.970 158 Y HN 0.324 nan 8.280 nan 0.000 0.498 159 Q N -0.461 119.336 119.800 -0.004 0.000 2.050 159 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 159 Q C 1.879 177.815 176.000 -0.106 0.000 0.980 159 Q CA 1.728 57.424 55.803 -0.178 0.000 0.840 159 Q CB -0.199 28.460 28.738 -0.132 0.000 0.898 159 Q HN 0.446 nan 8.270 nan 0.000 0.424 160 D N 0.409 120.787 120.400 -0.037 0.000 2.092 160 D HA -0.156 4.484 4.640 0.000 0.000 0.193 160 D C 1.818 178.105 176.300 -0.021 0.000 0.994 160 D CA 0.946 54.932 54.000 -0.024 0.000 0.828 160 D CB -0.160 40.637 40.800 -0.005 0.000 0.963 160 D HN 0.148 nan 8.370 nan 0.000 0.450 161 I N 0.856 121.420 120.570 -0.009 0.000 2.226 161 I HA -0.197 3.973 4.170 0.000 0.000 0.245 161 I C 2.248 178.369 176.117 0.006 0.000 1.100 161 I CA 0.958 62.244 61.300 -0.024 0.000 1.374 161 I CB -1.008 36.961 38.000 -0.052 0.000 1.057 161 I HN -0.075 nan 8.210 nan 0.000 0.413 162 S N 0.367 116.076 115.700 0.015 0.000 2.370 162 S HA -0.258 4.212 4.470 0.000 0.000 0.226 162 S C 1.908 176.509 174.600 0.002 0.000 1.033 162 S CA 1.754 59.965 58.200 0.019 0.000 1.011 162 S CB -0.324 62.772 63.200 -0.175 0.000 0.852 162 S HN 0.551 nan 8.310 nan 0.000 0.457 163 E N 0.473 120.641 120.200 -0.054 0.000 2.072 163 E HA -0.120 4.230 4.350 0.000 0.000 0.190 163 E C 2.036 178.627 176.600 -0.015 0.000 0.982 163 E CA 0.661 57.032 56.400 -0.049 0.000 0.803 163 E CB -0.135 29.524 29.700 -0.068 0.000 0.755 163 E HN 0.279 nan 8.360 nan 0.000 0.453 164 L N 0.765 121.978 121.223 -0.016 0.000 1.938 164 L HA -0.142 4.198 4.340 0.000 0.000 0.212 164 L C 2.450 179.265 176.870 -0.093 0.000 1.085 164 L CA 1.497 56.339 54.840 0.003 0.000 0.760 164 L CB -0.989 41.071 42.059 0.000 0.000 0.888 164 L HN 0.070 nan 8.230 nan 0.000 0.433 165 V N -0.874 118.870 119.914 -0.283 0.000 2.231 165 V HA -0.351 3.769 4.120 0.000 0.000 0.248 165 V C 2.235 178.020 176.094 -0.514 0.000 1.054 165 V CA 2.383 64.338 62.300 -0.575 0.000 1.015 165 V CB -0.835 30.517 31.823 -0.786 0.000 0.638 165 V HN 0.523 nan 8.190 nan 0.000 0.444 166 Y N 0.043 120.287 120.300 -0.093 0.000 2.497 166 Y HA 0.426 4.976 4.550 0.000 0.000 0.265 166 Y C 1.969 177.826 175.900 -0.071 0.000 1.111 166 Y CA 0.424 58.472 58.100 -0.087 0.000 1.288 166 Y CB -0.351 38.013 38.460 -0.161 0.000 1.082 166 Y HN 0.350 nan 8.280 nan 0.000 0.536 167 G N 0.730 109.557 108.800 0.045 0.000 2.225 167 G HA2 -0.198 3.763 3.960 0.000 0.000 0.267 167 G HA3 -0.198 3.763 3.960 0.000 0.000 0.267 167 G C 0.213 175.105 174.900 -0.013 0.000 1.024 167 G CA 0.151 45.260 45.100 0.014 0.000 0.784 167 G HN 0.640 nan 8.290 nan 0.000 0.507 168 A N -0.679 122.120 122.820 -0.035 0.000 2.293 168 A HA 0.834 5.154 4.320 0.000 0.000 0.302 168 A C 0.266 177.707 177.584 -0.239 0.000 1.119 168 A CA 0.222 52.176 52.037 -0.139 0.000 0.823 168 A CB 0.998 19.884 19.000 -0.190 0.000 1.097 168 A HN 0.955 nan 8.150 nan 0.000 0.491 169 K N 1.709 121.902 120.400 -0.344 0.000 2.274 169 K HA 0.559 4.880 4.320 0.000 0.000 0.262 169 K C -1.403 174.813 176.600 -0.640 0.000 0.961 169 K CA -0.219 55.808 56.287 -0.434 0.000 0.833 169 K CB 0.768 33.033 32.500 -0.391 0.000 1.102 169 K HN 0.526 nan 8.250 nan 0.000 0.436 170 L N 4.671 125.427 121.223 -0.778 0.000 2.389 170 L HA 0.250 4.590 4.340 0.000 0.000 0.265 170 L C 0.283 176.580 176.870 -0.955 0.000 1.167 170 L CA -0.623 53.480 54.840 -1.229 0.000 1.045 170 L CB 0.344 41.117 42.059 -2.145 0.000 1.351 170 L HN 0.530 nan 8.230 nan 0.000 0.419 171 Q N 3.918 123.306 119.800 -0.686 0.000 2.262 171 Q HA 0.187 4.527 4.340 0.000 0.000 0.272 171 Q C -2.254 173.669 176.000 -0.127 0.000 1.076 171 Q CA -1.344 54.227 55.803 -0.387 0.000 0.905 171 Q CB 1.199 29.692 28.738 -0.408 0.000 1.182 171 Q HN 0.234 nan 8.270 nan 0.000 0.390 172 P HA 0.343 nan 4.420 nan 0.000 0.292 172 P C -0.626 176.618 177.300 -0.093 0.000 1.287 172 P CA -0.110 62.954 63.100 -0.060 0.000 0.800 172 P CB 0.897 32.578 31.700 -0.033 0.000 0.945 173 L N 2.084 123.173 121.223 -0.223 0.000 2.371 173 L HA 0.404 4.744 4.340 0.000 0.000 0.262 173 L C 0.048 176.796 176.870 -0.204 0.000 1.006 173 L CA -0.822 53.912 54.840 -0.177 0.000 0.818 173 L CB 2.455 44.462 42.059 -0.086 0.000 1.354 173 L HN 0.217 nan 8.230 nan 0.000 0.415 174 D N 0.743 121.143 120.400 -0.000 0.000 2.631 174 D HA 0.137 4.777 4.640 0.000 0.000 0.227 174 D C 0.804 177.229 176.300 0.208 0.000 1.146 174 D CA -0.184 53.843 54.000 0.045 0.000 1.009 174 D CB 0.241 41.062 40.800 0.035 0.000 1.057 174 D HN 0.180 nan 8.370 nan 0.000 0.509 175 F N 1.683 121.629 119.950 -0.005 0.000 2.102 175 F HA -0.083 4.444 4.527 0.000 0.000 0.298 175 F C 2.091 177.888 175.800 -0.005 0.000 1.105 175 F CA 0.895 58.890 58.000 -0.008 0.000 1.239 175 F CB -0.645 38.356 39.000 0.001 0.000 0.991 175 F HN 0.306 nan 8.300 nan 0.000 0.474 176 K N -0.115 120.402 120.400 0.195 0.000 2.015 176 K HA -0.210 4.110 4.320 0.000 0.000 0.216 176 K C 1.632 178.275 176.600 0.071 0.000 1.052 176 K CA 1.954 58.304 56.287 0.104 0.000 0.937 176 K CB -0.189 32.350 32.500 0.066 0.000 0.719 176 K HN 0.171 nan 8.250 nan 0.000 0.446 177 E N -0.451 119.787 120.200 0.062 0.000 2.460 177 E HA 0.038 4.388 4.350 0.000 0.000 0.200 177 E C 0.039 176.662 176.600 0.039 0.000 1.011 177 E CA 0.454 56.878 56.400 0.041 0.000 0.912 177 E CB 0.394 30.111 29.700 0.028 0.000 0.953 177 E HN 0.290 nan 8.360 nan 0.000 0.494 178 N N -0.095 118.639 118.700 0.057 0.000 2.547 178 N HA 0.239 4.979 4.740 0.000 0.000 0.285 178 N C 0.731 176.265 175.510 0.041 0.000 1.600 178 N CA 0.288 53.363 53.050 0.042 0.000 0.872 178 N CB 1.063 39.572 38.487 0.037 0.000 1.412 178 N HN 0.007 nan 8.380 nan 0.000 0.489 179 A N 1.053 123.890 122.820 0.028 0.000 1.881 179 A HA -0.305 4.015 4.320 0.000 0.000 0.219 179 A C 1.899 179.428 177.584 -0.091 0.000 1.215 179 A CA 1.847 53.856 52.037 -0.046 0.000 0.648 179 A CB -0.425 18.533 19.000 -0.069 0.000 0.832 179 A HN 0.492 nan 8.150 nan 0.000 0.455 180 E N -0.993 119.168 120.200 -0.066 0.000 2.038 180 E HA -0.284 4.066 4.350 0.000 0.000 0.195 180 E C 2.328 178.888 176.600 -0.066 0.000 1.000 180 E CA 1.289 57.645 56.400 -0.074 0.000 0.803 180 E CB -0.313 29.356 29.700 -0.052 0.000 0.750 180 E HN 0.790 nan 8.360 nan 0.000 0.448 181 Q N 0.891 120.670 119.800 -0.036 0.000 2.152 181 Q HA -0.206 4.134 4.340 0.000 0.000 0.206 181 Q C 2.122 178.107 176.000 -0.025 0.000 0.985 181 Q CA 1.646 57.436 55.803 -0.023 0.000 0.863 181 Q CB 0.001 28.736 28.738 -0.004 0.000 0.904 181 Q HN 0.125 nan 8.270 nan 0.000 0.422 182 S N 0.475 116.165 115.700 -0.016 0.000 2.344 182 S HA -0.161 4.309 4.470 0.000 0.000 0.217 182 S C 1.839 176.367 174.600 -0.120 0.000 1.033 182 S CA 1.349 59.548 58.200 -0.001 0.000 1.017 182 S CB -0.372 62.911 63.200 0.139 0.000 0.941 182 S HN 0.450 nan 8.310 nan 0.000 0.430 183 R N 1.143 121.527 120.500 -0.193 0.000 2.154 183 R HA -0.166 4.174 4.340 0.000 0.000 0.248 183 R C 2.156 178.356 176.300 -0.167 0.000 1.155 183 R CA 1.459 57.417 56.100 -0.237 0.000 0.979 183 R CB -0.455 29.703 30.300 -0.237 0.000 0.869 183 R HN 0.390 nan 8.270 nan 0.000 0.452 184 A N 0.551 123.305 122.820 -0.110 0.000 1.898 184 A HA -0.046 4.274 4.320 0.000 0.000 0.216 184 A C 2.364 179.919 177.584 -0.048 0.000 1.181 184 A CA 1.476 53.470 52.037 -0.072 0.000 0.620 184 A CB -0.691 18.279 19.000 -0.051 0.000 0.819 184 A HN 0.539 nan 8.150 nan 0.000 0.442 185 A N 0.148 122.941 122.820 -0.045 0.000 1.877 185 A HA -0.098 4.222 4.320 0.000 0.000 0.216 185 A C 2.114 179.714 177.584 0.026 0.000 1.186 185 A CA 1.546 53.580 52.037 -0.005 0.000 0.620 185 A CB -0.674 18.320 19.000 -0.011 0.000 0.822 185 A HN 0.492 nan 8.150 nan 0.000 0.443 186 I N 0.177 120.683 120.570 -0.107 0.000 2.127 186 I HA -0.318 3.852 4.170 0.000 0.000 0.241 186 I C 2.182 178.375 176.117 0.126 0.000 1.075 186 I CA 1.517 62.745 61.300 -0.121 0.000 1.334 186 I CB -0.552 37.145 38.000 -0.505 0.000 1.040 186 I HN 0.304 nan 8.210 nan 0.000 0.405 187 N N 0.852 119.553 118.700 0.002 0.000 2.120 187 N HA -0.153 4.587 4.740 0.000 0.000 0.188 187 N C 1.749 177.275 175.510 0.026 0.000 1.024 187 N CA 1.131 54.182 53.050 0.001 0.000 0.852 187 N CB -0.242 38.209 38.487 -0.060 0.000 1.003 187 N HN 0.288 nan 8.380 nan 0.000 0.424 188 K N -0.114 120.315 120.400 0.048 0.000 2.097 188 K HA -0.107 4.213 4.320 0.000 0.000 0.205 188 K C 1.906 178.563 176.600 0.093 0.000 1.050 188 K CA 0.431 56.745 56.287 0.044 0.000 0.938 188 K CB -0.741 31.785 32.500 0.042 0.000 0.718 188 K HN 0.378 nan 8.250 nan 0.000 0.442 189 W N 1.804 123.096 121.300 -0.013 0.000 2.378 189 W HA -0.186 4.474 4.660 0.000 0.000 0.313 189 W C 1.764 178.287 176.519 0.007 0.000 1.197 189 W CA 1.061 58.415 57.345 0.015 0.000 1.304 189 W CB -0.469 29.035 29.460 0.073 0.000 1.148 189 W HN -0.216 nan 8.180 nan 0.000 0.494 190 V N 0.720 120.551 119.914 -0.139 0.000 2.332 190 V HA -0.361 3.759 4.120 0.000 0.000 0.248 190 V C 2.623 178.504 176.094 -0.354 0.000 1.055 190 V CA 2.342 64.400 62.300 -0.403 0.000 1.038 190 V CB -1.413 30.347 31.823 -0.104 0.000 0.651 190 V HN 0.417 nan 8.190 nan 0.000 0.450 191 S N 0.137 115.705 115.700 -0.219 0.000 2.359 191 S HA -0.243 4.227 4.470 0.000 0.000 0.224 191 S C 1.924 176.360 174.600 -0.273 0.000 1.035 191 S CA 1.977 60.043 58.200 -0.223 0.000 1.018 191 S CB -0.469 62.644 63.200 -0.146 0.000 0.876 191 S HN 0.689 nan 8.310 nan 0.000 0.448 192 N N 1.042 119.598 118.700 -0.239 0.000 2.120 192 N HA -0.037 4.703 4.740 0.000 0.000 0.188 192 N C 1.449 176.777 175.510 -0.305 0.000 1.024 192 N CA 0.880 53.797 53.050 -0.221 0.000 0.852 192 N CB -0.261 38.149 38.487 -0.128 0.000 1.003 192 N HN 0.397 nan 8.380 nan 0.000 0.424 193 K N 0.829 120.960 120.400 -0.448 0.000 2.525 193 K HA 0.031 4.351 4.320 0.000 0.000 0.192 193 K C 0.895 177.228 176.600 -0.444 0.000 1.029 193 K CA 0.589 56.611 56.287 -0.442 0.000 1.029 193 K CB 0.146 32.243 32.500 -0.672 0.000 0.814 193 K HN 0.366 nan 8.250 nan 0.000 0.503 194 T N -3.762 110.435 114.554 -0.594 0.000 3.170 194 T HA 0.166 4.516 4.350 0.000 0.000 0.288 194 T C -0.035 173.933 174.700 -1.219 0.000 0.992 194 T CA -0.384 61.072 62.100 -1.074 0.000 0.909 194 T CB 0.158 68.661 68.868 -0.608 0.000 1.133 194 T HN 0.174 nan 8.240 nan 0.000 0.530 195 E N 0.527 120.316 120.200 -0.684 0.000 2.586 195 E HA -0.230 4.120 4.350 0.000 0.000 0.259 195 E C 1.146 177.559 176.600 -0.311 0.000 1.107 195 E CA 0.628 56.797 56.400 -0.385 0.000 0.754 195 E CB -1.747 27.826 29.700 -0.211 0.000 1.335 195 E HN 1.022 nan 8.360 nan 0.000 0.411 196 G N -0.598 108.008 108.800 -0.323 0.000 2.253 196 G HA2 -0.424 3.536 3.960 0.000 0.000 0.251 196 G HA3 -0.424 3.536 3.960 0.000 0.000 0.251 196 G C 1.026 175.734 174.900 -0.321 0.000 0.998 196 G CA 0.503 45.449 45.100 -0.257 0.000 0.621 196 G HN 0.178 nan 8.290 nan 0.000 0.524 197 R N 0.360 120.592 120.500 -0.447 0.000 2.097 197 R HA 0.045 4.385 4.340 0.000 0.000 0.236 197 R C 1.538 177.497 176.300 -0.569 0.000 1.135 197 R CA 1.375 57.075 56.100 -0.667 0.000 0.934 197 R CB -0.838 28.951 30.300 -0.851 0.000 0.846 197 R HN 0.553 nan 8.270 nan 0.000 0.431 198 I N 1.153 121.503 120.570 -0.367 0.000 2.325 198 I HA 0.046 4.217 4.170 0.000 0.000 0.291 198 I C 1.044 177.071 176.117 -0.151 0.000 1.019 198 I CA -0.029 61.162 61.300 -0.181 0.000 1.302 198 I CB 1.873 39.849 38.000 -0.040 0.000 1.401 198 I HN 0.062 nan 8.210 nan 0.000 0.485 199 T N 2.843 117.331 114.554 -0.110 0.000 3.535 199 T HA 0.009 4.359 4.350 0.000 0.000 0.223 199 T C 0.013 174.677 174.700 -0.060 0.000 0.933 199 T CA 0.191 62.237 62.100 -0.090 0.000 1.445 199 T CB -0.062 68.752 68.868 -0.090 0.000 1.286 199 T HN 0.714 nan 8.240 nan 0.000 0.436 200 D N 3.044 123.414 120.400 -0.049 0.000 2.441 200 D HA 0.188 4.828 4.640 0.000 0.000 0.243 200 D C 0.891 177.166 176.300 -0.042 0.000 1.257 200 D CA -0.145 53.822 54.000 -0.055 0.000 1.027 200 D CB 0.083 40.852 40.800 -0.052 0.000 1.084 200 D HN 0.159 nan 8.370 nan 0.000 0.514 201 V N 0.771 120.660 119.914 -0.043 0.000 2.951 201 V HA 0.004 4.125 4.120 0.000 0.000 0.255 201 V C 1.000 177.005 176.094 -0.148 0.000 1.088 201 V CA 0.401 62.703 62.300 0.003 0.000 1.109 201 V CB -0.722 31.149 31.823 0.081 0.000 0.724 201 V HN 0.549 nan 8.190 nan 0.000 0.471 202 I N 1.994 122.374 120.570 -0.316 0.000 2.439 202 I HA 0.452 4.622 4.170 0.000 0.000 0.285 202 I C -2.863 173.024 176.117 -0.385 0.000 1.021 202 I CA -2.059 58.830 61.300 -0.685 0.000 1.091 202 I CB 1.691 39.268 38.000 -0.705 0.000 1.242 202 I HN 0.044 nan 8.210 nan 0.000 0.439 203 P HA 0.132 nan 4.420 nan 0.000 0.272 203 P C 0.179 177.396 177.300 -0.139 0.000 1.240 203 P CA -0.230 62.784 63.100 -0.143 0.000 0.791 203 P CB 0.595 32.266 31.700 -0.049 0.000 0.978 204 S N 0.668 116.315 115.700 -0.088 0.000 2.558 204 S HA -0.013 4.457 4.470 0.000 0.000 0.291 204 S C 0.403 174.966 174.600 -0.061 0.000 1.306 204 S CA 0.493 58.648 58.200 -0.076 0.000 1.056 204 S CB -0.857 62.311 63.200 -0.052 0.000 0.836 204 S HN 0.632 nan 8.310 nan 0.000 0.504 205 E N -0.504 119.657 120.200 -0.065 0.000 2.513 205 E HA -0.294 4.056 4.350 0.000 0.000 0.257 205 E C 0.405 176.986 176.600 -0.032 0.000 1.098 205 E CA 0.815 57.188 56.400 -0.045 0.000 0.752 205 E CB -2.093 27.595 29.700 -0.021 0.000 1.324 205 E HN 0.527 nan 8.360 nan 0.000 0.403 206 A N 0.128 122.906 122.820 -0.070 0.000 2.014 206 A HA 0.371 4.691 4.320 0.000 0.000 0.210 206 A C 1.018 178.576 177.584 -0.044 0.000 1.188 206 A CA 0.506 52.528 52.037 -0.026 0.000 0.731 206 A CB 0.452 19.368 19.000 -0.140 0.000 0.858 206 A HN 0.331 nan 8.150 nan 0.000 0.464 207 I N 1.600 122.081 120.570 -0.148 0.000 2.377 207 I HA 0.306 4.476 4.170 0.000 0.000 0.293 207 I C -0.610 175.405 176.117 -0.169 0.000 0.987 207 I CA -0.699 60.460 61.300 -0.236 0.000 1.185 207 I CB 1.716 39.467 38.000 -0.415 0.000 1.341 207 I HN 0.526 nan 8.210 nan 0.000 0.455 208 N N 3.779 122.396 118.700 -0.138 0.000 2.831 208 N HA 0.243 4.983 4.740 0.000 0.000 0.276 208 N C 0.307 175.805 175.510 -0.021 0.000 1.416 208 N CA -0.818 52.196 53.050 -0.060 0.000 0.799 208 N CB 0.620 39.100 38.487 -0.012 0.000 1.554 208 N HN 0.399 nan 8.380 nan 0.000 0.541 209 E N 0.079 120.292 120.200 0.021 0.000 2.209 209 E HA -0.129 4.221 4.350 0.000 0.000 0.196 209 E C 1.245 177.900 176.600 0.092 0.000 0.993 209 E CA 1.011 57.449 56.400 0.063 0.000 0.819 209 E CB -0.365 29.365 29.700 0.049 0.000 0.745 209 E HN 0.589 nan 8.360 nan 0.000 0.477 210 L N 1.385 122.656 121.223 0.079 0.000 2.478 210 L HA 0.031 4.371 4.340 0.000 0.000 0.223 210 L C 0.615 177.560 176.870 0.124 0.000 1.140 210 L CA 0.422 55.323 54.840 0.102 0.000 0.842 210 L CB -0.430 41.688 42.059 0.099 0.000 0.953 210 L HN -0.056 nan 8.230 nan 0.000 0.452 211 T N 0.689 115.310 114.554 0.111 0.000 2.799 211 T HA 0.166 4.516 4.350 0.000 0.000 0.296 211 T C 1.126 176.039 174.700 0.355 0.000 0.947 211 T CA -0.179 61.997 62.100 0.127 0.000 1.141 211 T CB 1.816 70.634 68.868 -0.084 0.000 0.891 211 T HN 0.090 nan 8.240 nan 0.000 0.533 212 V N 2.483 122.520 119.914 0.204 0.000 2.784 212 V HA 0.486 4.606 4.120 0.000 0.000 0.231 212 V C 0.402 176.600 176.094 0.172 0.000 1.128 212 V CA 0.181 62.567 62.300 0.143 0.000 1.178 212 V CB -0.387 31.419 31.823 -0.028 0.000 0.943 212 V HN 0.623 nan 8.190 nan 0.000 0.500 213 L N 1.669 122.940 121.223 0.081 0.000 2.305 213 L HA 0.753 5.093 4.340 0.000 0.000 0.284 213 L C -0.968 176.036 176.870 0.224 0.000 1.013 213 L CA -0.469 54.455 54.840 0.140 0.000 0.819 213 L CB 1.893 43.964 42.059 0.019 0.000 1.227 213 L HN 0.205 nan 8.230 nan 0.000 0.417 214 V N 5.299 125.438 119.914 0.374 0.000 2.525 214 V HA 0.418 4.538 4.120 0.000 0.000 0.299 214 V C -0.843 175.506 176.094 0.425 0.000 1.034 214 V CA -0.570 61.967 62.300 0.394 0.000 0.863 214 V CB 2.200 34.261 31.823 0.397 0.000 0.999 214 V HN 0.545 nan 8.190 nan 0.000 0.423 215 L N 7.838 129.239 121.223 0.297 0.000 2.290 215 L HA 0.692 5.032 4.340 0.000 0.000 0.284 215 L C -0.641 176.431 176.870 0.337 0.000 1.078 215 L CA 0.431 55.385 54.840 0.190 0.000 0.815 215 L CB 1.481 43.516 42.059 -0.040 0.000 1.162 215 L HN 0.500 nan 8.230 nan 0.000 0.435 216 V N 5.864 125.992 119.914 0.356 0.000 2.531 216 V HA 0.568 4.688 4.120 0.000 0.000 0.301 216 V C -0.781 175.532 176.094 0.365 0.000 1.034 216 V CA -0.773 61.810 62.300 0.472 0.000 0.865 216 V CB 1.695 33.942 31.823 0.706 0.000 0.995 216 V HN 0.909 nan 8.190 nan 0.000 0.424 217 N N 2.260 121.172 118.700 0.353 0.000 2.324 217 N HA 0.681 5.421 4.740 0.000 0.000 0.285 217 N C -1.069 174.686 175.510 0.408 0.000 1.076 217 N CA -0.428 52.793 53.050 0.286 0.000 0.864 217 N CB 2.992 41.556 38.487 0.129 0.000 1.632 217 N HN 0.667 nan 8.380 nan 0.000 0.478 218 T N -1.108 113.635 114.554 0.315 0.000 2.889 218 T HA 0.566 4.916 4.350 0.000 0.000 0.315 218 T C -0.976 173.903 174.700 0.299 0.000 1.291 218 T CA -0.768 61.560 62.100 0.379 0.000 1.028 218 T CB 1.351 70.389 68.868 0.283 0.000 1.235 218 T HN 0.464 nan 8.240 nan 0.000 0.491 219 I N 2.456 123.277 120.570 0.417 0.000 2.433 219 I HA 0.423 4.593 4.170 0.000 0.000 0.292 219 I C -1.363 175.156 176.117 0.671 0.000 1.001 219 I CA -1.074 60.480 61.300 0.424 0.000 1.119 219 I CB 1.835 39.975 38.000 0.235 0.000 1.289 219 I HN 0.720 nan 8.210 nan 0.000 0.438 220 Y N 7.734 128.270 120.300 0.394 0.000 2.328 220 Y HA 0.491 5.041 4.550 0.000 0.000 0.337 220 Y C -1.303 174.859 175.900 0.437 0.000 0.966 220 Y CA -1.033 57.282 58.100 0.357 0.000 1.136 220 Y CB 1.142 39.693 38.460 0.151 0.000 1.170 220 Y HN 0.400 nan 8.280 nan 0.000 0.470 221 F N 5.849 125.622 119.950 -0.294 0.000 2.546 221 F HA 0.737 5.264 4.527 0.000 0.000 0.320 221 F C -1.627 173.813 175.800 -0.598 0.000 1.076 221 F CA -0.923 56.891 58.000 -0.311 0.000 0.928 221 F CB 1.553 40.567 39.000 0.024 0.000 1.189 221 F HN 0.420 nan 8.300 nan 0.000 0.465 222 K N 3.251 122.794 120.400 -1.430 0.000 2.525 222 K HA 0.700 5.020 4.320 0.000 0.000 0.254 222 K C -1.284 174.369 176.600 -1.578 0.000 0.934 222 K CA -1.122 54.388 56.287 -1.295 0.000 0.802 222 K CB 2.287 34.398 32.500 -0.649 0.000 1.295 222 K HN 0.959 nan 8.250 nan 0.000 0.433 223 G N 2.156 110.153 108.800 -1.338 0.000 2.732 223 G HA2 0.476 4.436 3.960 0.000 0.000 0.296 223 G HA3 0.476 4.436 3.960 0.000 0.000 0.296 223 G C -1.645 173.119 174.900 -0.228 0.000 1.448 223 G CA -0.750 43.857 45.100 -0.822 0.000 0.911 223 G HN 0.336 nan 8.290 nan 0.000 0.528 224 L N 0.628 121.919 121.223 0.114 0.000 2.322 224 L HA 0.465 4.805 4.340 0.000 0.000 0.279 224 L C -0.067 177.036 176.870 0.389 0.000 1.036 224 L CA -0.829 54.116 54.840 0.175 0.000 0.807 224 L CB 1.614 43.747 42.059 0.123 0.000 1.226 224 L HN 0.613 nan 8.230 nan 0.000 0.433 225 W N 2.767 124.211 121.300 0.241 0.000 2.251 225 W HA 0.020 4.680 4.660 0.000 0.000 0.327 225 W C 1.435 178.006 176.519 0.086 0.000 1.361 225 W CA -0.423 56.960 57.345 0.063 0.000 1.234 225 W CB 0.798 30.338 29.460 0.134 0.000 1.212 225 W HN 0.596 nan 8.180 nan 0.000 0.557 226 K N 1.316 121.923 120.400 0.346 0.000 2.211 226 K HA -0.095 4.225 4.320 0.000 0.000 0.203 226 K C 0.709 177.388 176.600 0.131 0.000 1.050 226 K CA 1.139 57.546 56.287 0.199 0.000 0.945 226 K CB 0.108 32.693 32.500 0.142 0.000 0.732 226 K HN 0.205 nan 8.250 nan 0.000 0.451 227 S N 0.994 116.779 115.700 0.141 0.000 2.259 227 S HA 0.267 4.737 4.470 0.000 0.000 0.181 227 S C -1.358 173.282 174.600 0.066 0.000 1.589 227 S CA -0.904 57.312 58.200 0.026 0.000 1.234 227 S CB 0.290 63.397 63.200 -0.154 0.000 1.119 227 S HN 0.211 nan 8.310 nan 0.000 0.458 228 K N 2.421 122.952 120.400 0.219 0.000 2.414 228 K HA 0.209 4.529 4.320 0.000 0.000 0.272 228 K C -0.524 176.278 176.600 0.336 0.000 0.993 228 K CA 0.267 56.777 56.287 0.373 0.000 0.964 228 K CB 0.304 32.997 32.500 0.322 0.000 0.925 228 K HN 0.342 nan 8.250 nan 0.000 0.487 229 F N 0.120 120.219 119.950 0.249 0.000 2.380 229 F HA 0.200 4.727 4.527 0.000 0.000 0.321 229 F C 1.029 176.861 175.800 0.054 0.000 1.103 229 F CA -0.812 57.412 58.000 0.374 0.000 1.067 229 F CB 1.275 40.449 39.000 0.290 0.000 1.265 229 F HN 0.300 nan 8.300 nan 0.000 0.517 230 S N 2.332 117.894 115.700 -0.230 0.000 2.456 230 S HA 0.374 4.844 4.470 0.000 0.000 0.316 230 S C -1.796 172.693 174.600 -0.186 0.000 1.089 230 S CA -1.787 56.194 58.200 -0.364 0.000 1.101 230 S CB 1.057 63.821 63.200 -0.727 0.000 0.995 230 S HN 0.278 nan 8.310 nan 0.000 0.468 231 P HA -0.078 nan 4.420 nan 0.000 0.221 231 P C 0.461 177.741 177.300 -0.033 0.000 1.145 231 P CA 0.967 64.057 63.100 -0.017 0.000 0.795 231 P CB 0.095 31.791 31.700 -0.006 0.000 0.775 232 E N -0.754 119.399 120.200 -0.078 0.000 2.515 232 E HA -0.048 4.302 4.350 0.000 0.000 0.201 232 E C 1.124 177.700 176.600 -0.040 0.000 1.071 232 E CA 0.536 56.900 56.400 -0.060 0.000 0.880 232 E CB -0.633 29.023 29.700 -0.074 0.000 0.828 232 E HN 0.324 nan 8.360 nan 0.000 0.540 233 N N -0.308 118.369 118.700 -0.038 0.000 2.170 233 N HA 0.044 4.784 4.740 0.000 0.000 0.222 233 N C -0.609 174.976 175.510 0.125 0.000 1.218 233 N CA 0.131 53.217 53.050 0.061 0.000 0.889 233 N CB 1.140 39.710 38.487 0.139 0.000 1.083 233 N HN -0.042 nan 8.380 nan 0.000 0.520 234 T N 1.550 116.157 114.554 0.088 0.000 2.761 234 T HA 0.271 4.622 4.350 0.000 0.000 0.296 234 T C 0.385 175.134 174.700 0.083 0.000 0.934 234 T CA 0.040 62.199 62.100 0.098 0.000 1.091 234 T CB 1.357 70.267 68.868 0.069 0.000 0.896 234 T HN -0.090 nan 8.240 nan 0.000 0.515 235 R N 2.274 122.834 120.500 0.101 0.000 2.686 235 R HA 0.318 4.658 4.340 0.000 0.000 0.286 235 R C -0.410 175.944 176.300 0.091 0.000 0.969 235 R CA -1.013 55.140 56.100 0.088 0.000 0.898 235 R CB 1.580 31.937 30.300 0.096 0.000 1.183 235 R HN 0.406 nan 8.270 nan 0.000 0.456 236 K N 2.865 123.307 120.400 0.071 0.000 2.401 236 K HA 0.116 4.436 4.320 0.000 0.000 0.278 236 K C -0.044 176.602 176.600 0.076 0.000 1.018 236 K CA 0.399 56.727 56.287 0.068 0.000 0.981 236 K CB 0.698 33.227 32.500 0.048 0.000 0.933 236 K HN 0.527 nan 8.250 nan 0.000 0.477 237 E N 1.937 122.188 120.200 0.086 0.000 2.430 237 E HA 0.285 4.635 4.350 0.000 0.000 0.279 237 E C -0.422 176.220 176.600 0.069 0.000 1.003 237 E CA -0.869 55.583 56.400 0.087 0.000 0.801 237 E CB 1.214 30.987 29.700 0.121 0.000 1.313 237 E HN 0.274 nan 8.360 nan 0.000 0.459 238 L N 1.262 122.499 121.223 0.024 0.000 2.367 238 L HA 0.332 4.672 4.340 0.000 0.000 0.275 238 L C -0.115 176.676 176.870 -0.132 0.000 1.129 238 L CA -0.309 54.446 54.840 -0.141 0.000 0.839 238 L CB 0.065 41.875 42.059 -0.414 0.000 1.133 238 L HN 0.350 nan 8.230 nan 0.000 0.453 239 F N 3.136 122.923 119.950 -0.272 0.000 2.427 239 F HA 0.395 4.922 4.527 0.000 0.000 0.346 239 F C -0.664 174.976 175.800 -0.266 0.000 1.120 239 F CA -0.575 57.360 58.000 -0.107 0.000 1.033 239 F CB 0.806 39.808 39.000 0.002 0.000 1.126 239 F HN 0.184 nan 8.300 nan 0.000 0.462 240 Y N 5.449 125.596 120.300 -0.254 0.000 2.518 240 Y HA 0.341 4.891 4.550 0.000 0.000 0.344 240 Y C 0.191 176.079 175.900 -0.020 0.000 0.982 240 Y CA -0.784 57.253 58.100 -0.105 0.000 1.234 240 Y CB 0.395 38.765 38.460 -0.150 0.000 1.114 240 Y HN 0.397 nan 8.280 nan 0.000 0.515 241 K N 1.198 121.754 120.400 0.259 0.000 2.202 241 K HA 0.391 4.711 4.320 0.000 0.000 0.264 241 K C 1.104 177.800 176.600 0.159 0.000 1.010 241 K CA 0.153 56.597 56.287 0.262 0.000 0.940 241 K CB 0.916 33.532 32.500 0.193 0.000 0.983 241 K HN 0.748 nan 8.250 nan 0.000 0.475 242 A N 2.189 125.091 122.820 0.136 0.000 1.948 242 A HA -0.213 4.107 4.320 0.000 0.000 0.220 242 A C 1.230 178.855 177.584 0.069 0.000 1.177 242 A CA 2.190 54.279 52.037 0.087 0.000 0.636 242 A CB -0.793 18.249 19.000 0.071 0.000 0.815 242 A HN 0.935 nan 8.150 nan 0.000 0.449 243 D N -1.026 119.414 120.400 0.066 0.000 2.403 243 D HA 0.242 4.882 4.640 0.000 0.000 0.260 243 D C 1.135 177.468 176.300 0.054 0.000 1.243 243 D CA 0.850 54.880 54.000 0.050 0.000 0.918 243 D CB -1.343 39.481 40.800 0.040 0.000 0.939 243 D HN 0.795 nan 8.370 nan 0.000 0.507 244 G N -0.521 108.319 108.800 0.066 0.000 2.205 244 G HA2 -0.326 3.635 3.960 0.000 0.000 0.269 244 G HA3 -0.326 3.635 3.960 0.000 0.000 0.269 244 G C 0.025 174.976 174.900 0.085 0.000 0.977 244 G CA 0.529 45.672 45.100 0.071 0.000 0.652 244 G HN 0.494 nan 8.290 nan 0.000 0.539 245 E N 0.848 121.093 120.200 0.075 0.000 2.191 245 E HA 0.503 4.853 4.350 0.000 0.000 0.278 245 E C 0.688 177.304 176.600 0.026 0.000 0.972 245 E CA 0.145 56.577 56.400 0.053 0.000 0.804 245 E CB 1.720 31.439 29.700 0.032 0.000 1.110 245 E HN 0.484 nan 8.360 nan 0.000 0.394 246 S N 1.237 116.905 115.700 -0.053 0.000 2.617 246 S HA 0.364 4.834 4.470 0.000 0.000 0.259 246 S C 0.171 174.684 174.600 -0.145 0.000 1.301 246 S CA -0.554 57.477 58.200 -0.281 0.000 0.984 246 S CB 1.074 64.010 63.200 -0.440 0.000 0.954 246 S HN 0.652 nan 8.310 nan 0.000 0.572 247 c N 0.299 118.800 118.600 -0.164 0.000 3.285 247 c HA 0.728 5.298 4.570 0.000 0.000 0.325 247 c C -0.520 173.554 174.090 -0.026 0.000 1.304 247 c CA -0.479 55.826 56.329 -0.039 0.000 1.319 247 c CB 1.336 43.872 42.510 0.044 0.000 1.640 247 c HN 0.986 nan 8.230 nan 0.000 0.477 248 S N 1.902 117.601 115.700 -0.002 0.000 2.438 248 S HA 0.801 5.272 4.470 0.000 0.000 0.316 248 S C -0.132 174.492 174.600 0.040 0.000 1.084 248 S CA 0.172 58.383 58.200 0.017 0.000 1.107 248 S CB 0.610 63.815 63.200 0.008 0.000 0.981 248 S HN 1.215 nan 8.310 nan 0.000 0.466 249 A N 3.484 126.353 122.820 0.081 0.000 2.347 249 A HA 0.826 5.146 4.320 0.000 0.000 0.301 249 A C -0.293 177.347 177.584 0.094 0.000 1.163 249 A CA -0.711 51.381 52.037 0.091 0.000 0.860 249 A CB 1.187 20.277 19.000 0.150 0.000 1.367 249 A HN 0.631 nan 8.150 nan 0.000 0.461 250 S N 0.563 116.317 115.700 0.090 0.000 2.415 250 S HA 0.412 4.883 4.470 0.000 0.000 0.313 250 S C -0.398 174.269 174.600 0.112 0.000 1.067 250 S CA -0.110 58.139 58.200 0.081 0.000 1.099 250 S CB -0.204 63.026 63.200 0.050 0.000 0.991 250 S HN 0.524 nan 8.310 nan 0.000 0.491 251 M N 4.607 124.287 119.600 0.134 0.000 2.157 251 M HA 0.443 4.923 4.480 0.000 0.000 0.354 251 M C -0.480 175.916 176.300 0.160 0.000 1.170 251 M CA -0.017 55.386 55.300 0.171 0.000 1.060 251 M CB 0.537 33.263 32.600 0.210 0.000 1.615 251 M HN 0.503 nan 8.290 nan 0.000 0.460 252 M N 4.195 123.889 119.600 0.156 0.000 2.274 252 M HA 0.254 4.735 4.480 0.000 0.000 0.344 252 M C -0.365 176.142 176.300 0.344 0.000 1.161 252 M CA -0.638 54.792 55.300 0.218 0.000 1.126 252 M CB 0.827 33.397 32.600 -0.049 0.000 1.522 252 M HN 0.687 nan 8.290 nan 0.000 0.461 253 Y N 2.111 122.556 120.300 0.241 0.000 2.188 253 Y HA 0.337 4.888 4.550 0.000 0.000 0.360 253 Y C -0.275 175.600 175.900 -0.042 0.000 1.324 253 Y CA -0.462 57.680 58.100 0.071 0.000 1.726 253 Y CB 0.598 39.105 38.460 0.078 0.000 1.536 253 Y HN 0.752 nan 8.280 nan 0.000 0.628 254 Q N 1.094 120.104 119.800 -1.317 0.000 3.634 254 Q HA 0.004 4.344 4.340 0.000 0.000 0.114 254 Q C -2.134 173.452 176.000 -0.691 0.000 0.955 254 Q CA -0.008 54.990 55.803 -1.342 0.000 1.289 254 Q CB -0.525 27.522 28.738 -1.151 0.000 1.272 254 Q HN 0.874 nan 8.270 nan 0.000 0.589 255 E N 0.937 120.805 120.200 -0.554 0.000 2.314 255 E HA 0.862 5.212 4.350 0.000 0.000 0.272 255 E C -0.283 176.166 176.600 -0.251 0.000 0.884 255 E CA -0.307 55.921 56.400 -0.287 0.000 0.753 255 E CB 2.210 31.778 29.700 -0.221 0.000 1.213 255 E HN 0.826 nan 8.360 nan 0.000 0.432 256 G N 1.718 110.400 108.800 -0.197 0.000 2.359 256 G HA2 0.033 3.993 3.960 0.000 0.000 0.293 256 G HA3 0.033 3.993 3.960 0.000 0.000 0.293 256 G C -1.462 173.185 174.900 -0.422 0.000 1.300 256 G CA -1.050 43.846 45.100 -0.340 0.000 0.888 256 G HN 0.281 nan 8.290 nan 0.000 0.541 257 K N -0.228 119.835 120.400 -0.561 0.000 2.276 257 K HA 0.627 4.947 4.320 0.000 0.000 0.283 257 K C -1.334 174.798 176.600 -0.781 0.000 1.044 257 K CA 0.116 56.127 56.287 -0.460 0.000 0.944 257 K CB 0.431 32.752 32.500 -0.298 0.000 1.012 257 K HN 0.283 nan 8.250 nan 0.000 0.472 258 F N 0.924 120.797 119.950 -0.128 0.000 2.650 258 F HA 0.300 4.827 4.527 0.000 0.000 0.310 258 F C -0.117 175.652 175.800 -0.051 0.000 1.112 258 F CA -0.930 56.997 58.000 -0.122 0.000 0.986 258 F CB 1.318 40.201 39.000 -0.195 0.000 1.285 258 F HN 0.245 nan 8.300 nan 0.000 0.440 259 R N 1.913 122.515 120.500 0.171 0.000 2.347 259 R HA 0.401 4.741 4.340 0.000 0.000 0.304 259 R C -1.438 174.961 176.300 0.165 0.000 1.072 259 R CA -0.219 55.955 56.100 0.123 0.000 0.980 259 R CB 0.687 31.033 30.300 0.078 0.000 0.986 259 R HN 0.672 nan 8.270 nan 0.000 0.448 260 Y N 1.583 121.881 120.300 -0.003 0.000 2.597 260 Y HA 0.582 5.132 4.550 0.000 0.000 0.340 260 Y C -1.524 174.362 175.900 -0.024 0.000 1.097 260 Y CA -1.316 56.768 58.100 -0.027 0.000 1.037 260 Y CB 1.837 40.280 38.460 -0.028 0.000 1.305 260 Y HN 0.526 nan 8.280 nan 0.000 0.463 261 R N 2.694 122.543 120.500 -1.086 0.000 2.604 261 R HA 0.415 4.755 4.340 0.000 0.000 0.261 261 R C -2.215 173.435 176.300 -1.084 0.000 1.080 261 R CA -0.776 54.755 56.100 -0.948 0.000 0.917 261 R CB 1.447 31.506 30.300 -0.401 0.000 1.252 261 R HN 0.867 nan 8.270 nan 0.000 0.456 262 R N 3.791 123.871 120.500 -0.699 0.000 2.198 262 R HA 0.513 4.853 4.340 0.000 0.000 0.339 262 R C -0.097 176.007 176.300 -0.327 0.000 1.020 262 R CA -0.529 55.330 56.100 -0.402 0.000 0.864 262 R CB 0.602 30.818 30.300 -0.140 0.000 1.105 262 R HN 0.520 nan 8.270 nan 0.000 0.463 263 V N 1.604 121.264 119.914 -0.423 0.000 3.602 263 V HA 0.688 4.808 4.120 0.000 0.000 0.285 263 V C 0.376 176.333 176.094 -0.229 0.000 1.187 263 V CA -0.791 61.255 62.300 -0.422 0.000 0.940 263 V CB 0.561 31.798 31.823 -0.976 0.000 1.250 263 V HN 0.817 nan 8.190 nan 0.000 0.455 264 A N 0.678 123.436 122.820 -0.104 0.000 2.553 264 A HA 0.305 4.625 4.320 0.000 0.000 0.258 264 A C 0.812 178.415 177.584 0.031 0.000 1.069 264 A CA 0.954 53.022 52.037 0.052 0.000 0.767 264 A CB -1.196 17.944 19.000 0.233 0.000 0.997 264 A HN 1.241 nan 8.150 nan 0.000 0.512 265 E N 1.126 121.335 120.200 0.014 0.000 3.573 265 E HA -0.211 4.139 4.350 0.000 0.000 0.322 265 E C 0.857 177.444 176.600 -0.021 0.000 0.836 265 E CA 1.090 57.496 56.400 0.010 0.000 1.183 265 E CB -1.997 27.729 29.700 0.043 0.000 1.595 265 E HN 2.418 nan 8.360 nan 0.000 0.408 266 G N 0.286 109.057 108.800 -0.048 0.000 2.153 266 G HA2 -0.350 3.610 3.960 0.000 0.000 0.252 266 G HA3 -0.350 3.610 3.960 0.000 0.000 0.252 266 G C 0.378 175.227 174.900 -0.085 0.000 0.994 266 G CA 0.946 46.010 45.100 -0.061 0.000 0.698 266 G HN 0.263 nan 8.290 nan 0.000 0.521 267 T N 1.280 115.764 114.554 -0.117 0.000 2.919 267 T HA 0.469 4.819 4.350 0.000 0.000 0.302 267 T C 0.526 175.105 174.700 -0.202 0.000 1.031 267 T CA 0.495 62.511 62.100 -0.140 0.000 1.127 267 T CB 0.887 69.667 68.868 -0.147 0.000 0.952 267 T HN 0.603 nan 8.240 nan 0.000 0.540 268 Q N 1.271 121.004 119.800 -0.111 0.000 2.312 268 Q HA 0.689 5.029 4.340 0.000 0.000 0.263 268 Q C -1.349 174.673 176.000 0.037 0.000 0.995 268 Q CA -1.045 54.728 55.803 -0.050 0.000 0.853 268 Q CB 1.623 30.520 28.738 0.264 0.000 1.300 268 Q HN 0.304 nan 8.270 nan 0.000 0.448 269 V N 3.315 123.133 119.914 -0.161 0.000 2.459 269 V HA 0.483 4.603 4.120 0.000 0.000 0.295 269 V C -0.780 175.295 176.094 -0.032 0.000 1.029 269 V CA -0.765 61.472 62.300 -0.105 0.000 0.874 269 V CB 1.433 33.073 31.823 -0.305 0.000 0.985 269 V HN 0.661 nan 8.190 nan 0.000 0.438 270 L N 3.944 125.148 121.223 -0.032 0.000 2.408 270 L HA 0.652 4.992 4.340 0.000 0.000 0.268 270 L C -0.545 176.251 176.870 -0.123 0.000 0.986 270 L CA -0.137 54.583 54.840 -0.200 0.000 0.820 270 L CB 2.071 43.627 42.059 -0.839 0.000 1.303 270 L HN 0.809 nan 8.230 nan 0.000 0.411 271 E N 4.617 124.768 120.200 -0.081 0.000 2.191 271 E HA 0.569 4.920 4.350 0.000 0.000 0.263 271 E C -1.837 174.757 176.600 -0.009 0.000 0.881 271 E CA -0.563 55.842 56.400 0.008 0.000 0.757 271 E CB 1.143 30.882 29.700 0.066 0.000 1.147 271 E HN 0.653 nan 8.360 nan 0.000 0.414 272 L N 6.816 128.038 121.223 -0.002 0.000 2.388 272 L HA 0.484 4.824 4.340 0.000 0.000 0.267 272 L C -2.288 174.654 176.870 0.121 0.000 0.995 272 L CA -2.100 52.715 54.840 -0.042 0.000 0.864 272 L CB 1.347 43.142 42.059 -0.440 0.000 1.216 272 L HN 0.409 nan 8.230 nan 0.000 0.430 273 P HA 0.267 nan 4.420 nan 0.000 0.276 273 P C -0.910 176.518 177.300 0.213 0.000 1.244 273 P CA -0.183 63.045 63.100 0.214 0.000 0.801 273 P CB 0.871 32.681 31.700 0.183 0.000 1.006 274 F N -0.060 120.100 119.950 0.349 0.000 2.440 274 F HA 0.321 4.848 4.527 0.000 0.000 0.328 274 F C 1.504 177.436 175.800 0.220 0.000 1.070 274 F CA -0.736 57.456 58.000 0.319 0.000 1.011 274 F CB 0.710 39.879 39.000 0.281 0.000 1.226 274 F HN 0.055 nan 8.300 nan 0.000 0.491 275 K N 1.400 122.025 120.400 0.375 0.000 2.441 275 K HA 0.126 4.446 4.320 0.000 0.000 0.273 275 K C 0.817 177.537 176.600 0.200 0.000 1.090 275 K CA 1.258 57.684 56.287 0.232 0.000 1.158 275 K CB -0.475 32.138 32.500 0.187 0.000 0.847 275 K HN 0.994 nan 8.250 nan 0.000 0.483 276 G N 2.881 111.771 108.800 0.150 0.000 2.253 276 G HA2 -0.240 3.720 3.960 0.000 0.000 0.209 276 G HA3 -0.240 3.720 3.960 0.000 0.000 0.209 276 G C 0.273 175.242 174.900 0.114 0.000 0.997 276 G CA 0.071 45.242 45.100 0.119 0.000 0.640 276 G HN 0.857 nan 8.290 nan 0.000 0.496 277 D N 0.557 121.047 120.400 0.150 0.000 2.880 277 D HA -0.250 4.390 4.640 0.000 0.000 0.198 277 D C 1.255 177.627 176.300 0.119 0.000 1.059 277 D CA 1.838 55.918 54.000 0.134 0.000 1.019 277 D CB -1.264 39.587 40.800 0.086 0.000 1.112 277 D HN 0.698 nan 8.370 nan 0.000 0.424 278 D N 1.040 121.506 120.400 0.109 0.000 2.219 278 D HA -0.076 4.564 4.640 0.000 0.000 0.205 278 D C 1.194 177.540 176.300 0.078 0.000 0.970 278 D CA 0.845 54.887 54.000 0.070 0.000 0.851 278 D CB 0.100 40.930 40.800 0.051 0.000 0.943 278 D HN 0.411 nan 8.370 nan 0.000 0.488 279 I N 0.055 120.715 120.570 0.151 0.000 2.545 279 I HA 0.346 4.516 4.170 0.000 0.000 0.292 279 I C -0.251 176.089 176.117 0.372 0.000 1.040 279 I CA -0.680 60.725 61.300 0.175 0.000 1.068 279 I CB 2.382 40.422 38.000 0.067 0.000 1.251 279 I HN -0.081 nan 8.210 nan 0.000 0.424 280 T N 2.959 117.725 114.554 0.353 0.000 2.864 280 T HA 0.645 4.995 4.350 0.000 0.000 0.299 280 T C -0.890 174.088 174.700 0.464 0.000 1.166 280 T CA -0.872 61.479 62.100 0.419 0.000 1.007 280 T CB 2.110 71.127 68.868 0.248 0.000 1.219 280 T HN 0.590 nan 8.240 nan 0.000 0.506 281 M N 2.979 122.860 119.600 0.468 0.000 2.125 281 M HA 0.640 5.120 4.480 0.000 0.000 0.321 281 M C -1.794 174.706 176.300 0.334 0.000 0.983 281 M CA -0.671 54.923 55.300 0.491 0.000 0.934 281 M CB 1.080 34.072 32.600 0.653 0.000 1.542 281 M HN 0.583 nan 8.290 nan 0.000 0.424 282 V N 6.540 126.671 119.914 0.362 0.000 2.427 282 V HA 0.479 4.599 4.120 0.000 0.000 0.286 282 V C -0.240 176.079 176.094 0.375 0.000 1.034 282 V CA -0.641 61.832 62.300 0.288 0.000 0.893 282 V CB 1.537 33.497 31.823 0.228 0.000 0.982 282 V HN 0.804 nan 8.190 nan 0.000 0.452 283 L N 5.911 127.282 121.223 0.246 0.000 2.329 283 L HA 0.642 4.982 4.340 0.000 0.000 0.279 283 L C -0.747 176.334 176.870 0.352 0.000 1.014 283 L CA -0.495 54.540 54.840 0.324 0.000 0.814 283 L CB 1.938 44.099 42.059 0.170 0.000 1.257 283 L HN 0.480 nan 8.230 nan 0.000 0.424 284 I N 4.499 125.334 120.570 0.441 0.000 2.411 284 I HA 0.297 4.468 4.170 0.000 0.000 0.284 284 I C -0.946 175.376 176.117 0.342 0.000 1.012 284 I CA -0.355 61.157 61.300 0.354 0.000 1.119 284 I CB 2.000 40.238 38.000 0.398 0.000 1.261 284 I HN 0.335 nan 8.210 nan 0.000 0.448 285 L N 10.120 131.471 121.223 0.214 0.000 2.353 285 L HA 0.646 4.986 4.340 0.000 0.000 0.270 285 L C -2.524 174.338 176.870 -0.013 0.000 1.003 285 L CA -1.720 53.160 54.840 0.066 0.000 0.862 285 L CB 1.070 42.979 42.059 -0.250 0.000 1.221 285 L HN 0.200 nan 8.230 nan 0.000 0.430 286 P HA 0.171 nan 4.420 nan 0.000 0.274 286 P C -1.149 176.123 177.300 -0.046 0.000 1.231 286 P CA -0.504 62.597 63.100 0.002 0.000 0.790 286 P CB 0.418 32.145 31.700 0.045 0.000 0.951 287 K N 2.938 123.306 120.400 -0.054 0.000 2.380 287 K HA 0.085 4.406 4.320 0.000 0.000 0.267 287 K C -1.823 174.733 176.600 -0.073 0.000 0.990 287 K CA -1.006 55.236 56.287 -0.075 0.000 0.946 287 K CB -0.717 31.745 32.500 -0.063 0.000 0.937 287 K HN 0.143 nan 8.250 nan 0.000 0.491 288 P HA -0.279 nan 4.420 nan 0.000 0.219 288 P C 0.620 177.874 177.300 -0.076 0.000 1.161 288 P CA 1.783 64.816 63.100 -0.111 0.000 0.909 288 P CB -0.081 31.533 31.700 -0.144 0.000 0.793 289 E N -0.385 119.779 120.200 -0.060 0.000 2.494 289 E HA -0.041 4.309 4.350 0.000 0.000 0.193 289 E C 0.559 177.147 176.600 -0.021 0.000 1.074 289 E CA 0.353 56.730 56.400 -0.040 0.000 0.867 289 E CB -0.301 29.377 29.700 -0.037 0.000 0.924 289 E HN 0.311 nan 8.360 nan 0.000 0.502 290 K N 1.890 122.280 120.400 -0.017 0.000 2.413 290 K HA 0.183 4.503 4.320 0.000 0.000 0.257 290 K C -0.418 176.193 176.600 0.018 0.000 0.946 290 K CA -0.503 55.787 56.287 0.005 0.000 0.823 290 K CB 1.420 33.927 32.500 0.013 0.000 1.109 290 K HN 0.027 nan 8.250 nan 0.000 0.427 291 S N 3.782 119.499 115.700 0.028 0.000 2.576 291 S HA 0.028 4.498 4.470 0.000 0.000 0.276 291 S C 1.114 175.754 174.600 0.066 0.000 1.339 291 S CA -0.731 57.493 58.200 0.042 0.000 1.039 291 S CB 1.004 64.227 63.200 0.038 0.000 0.902 291 S HN 0.693 nan 8.310 nan 0.000 0.516 292 L N 2.946 124.216 121.223 0.080 0.000 2.083 292 L HA 0.080 4.420 4.340 0.000 0.000 0.209 292 L C 2.630 179.568 176.870 0.114 0.000 1.083 292 L CA 2.238 57.145 54.840 0.111 0.000 0.752 292 L CB -1.729 40.401 42.059 0.118 0.000 0.899 292 L HN 0.982 nan 8.230 nan 0.000 0.433 293 A N -0.551 122.321 122.820 0.086 0.000 1.917 293 A HA -0.257 4.064 4.320 0.000 0.000 0.219 293 A C 2.300 179.929 177.584 0.075 0.000 1.182 293 A CA 2.037 54.117 52.037 0.073 0.000 0.633 293 A CB -0.479 18.548 19.000 0.046 0.000 0.819 293 A HN 0.513 nan 8.150 nan 0.000 0.448 294 K N -0.536 119.906 120.400 0.071 0.000 2.002 294 K HA -0.075 4.246 4.320 0.000 0.000 0.209 294 K C 1.947 178.604 176.600 0.096 0.000 1.048 294 K CA 1.409 57.737 56.287 0.069 0.000 0.930 294 K CB -0.633 31.902 32.500 0.058 0.000 0.714 294 K HN 0.304 nan 8.250 nan 0.000 0.438 295 V N 2.501 122.488 119.914 0.122 0.000 2.282 295 V HA -0.280 3.840 4.120 0.000 0.000 0.249 295 V C 2.185 178.386 176.094 0.178 0.000 1.057 295 V CA 1.895 64.295 62.300 0.167 0.000 1.032 295 V CB -0.562 31.375 31.823 0.190 0.000 0.645 295 V HN 0.374 nan 8.190 nan 0.000 0.447 296 E N 0.273 120.580 120.200 0.178 0.000 2.070 296 E HA -0.286 4.064 4.350 0.000 0.000 0.197 296 E C 2.218 178.909 176.600 0.152 0.000 1.004 296 E CA 1.653 58.178 56.400 0.208 0.000 0.805 296 E CB -0.276 29.562 29.700 0.229 0.000 0.744 296 E HN 0.661 nan 8.360 nan 0.000 0.451 297 K N 0.910 121.371 120.400 0.101 0.000 2.148 297 K HA -0.142 4.178 4.320 0.000 0.000 0.204 297 K C 1.888 178.524 176.600 0.060 0.000 1.050 297 K CA 1.281 57.606 56.287 0.064 0.000 0.942 297 K CB -0.121 32.401 32.500 0.037 0.000 0.724 297 K HN 0.218 nan 8.250 nan 0.000 0.446 298 E N 1.231 121.476 120.200 0.075 0.000 2.358 298 E HA 0.013 4.364 4.350 0.000 0.000 0.195 298 E C 0.419 177.039 176.600 0.033 0.000 1.010 298 E CA -0.093 56.341 56.400 0.057 0.000 0.856 298 E CB -0.076 29.670 29.700 0.078 0.000 0.795 298 E HN 0.196 nan 8.360 nan 0.000 0.504 299 L N 1.644 122.906 121.223 0.065 0.000 2.517 299 L HA -0.016 4.324 4.340 0.000 0.000 0.294 299 L C 0.581 177.441 176.870 -0.017 0.000 1.264 299 L CA 0.736 55.599 54.840 0.038 0.000 0.839 299 L CB 0.209 42.340 42.059 0.119 0.000 1.098 299 L HN 0.120 nan 8.230 nan 0.000 0.525 300 T N -0.259 114.252 114.554 -0.072 0.000 3.225 300 T HA 0.268 4.619 4.350 0.000 0.000 0.356 300 T C -2.353 172.279 174.700 -0.115 0.000 1.460 300 T CA -1.171 60.878 62.100 -0.084 0.000 1.126 300 T CB 1.869 70.671 68.868 -0.109 0.000 1.321 300 T HN 0.292 nan 8.240 nan 0.000 0.478 301 P HA -0.111 nan 4.420 nan 0.000 0.216 301 P C 1.296 178.538 177.300 -0.096 0.000 1.153 301 P CA 1.308 64.377 63.100 -0.051 0.000 0.858 301 P CB 0.144 31.844 31.700 0.001 0.000 0.789 302 E N -0.259 119.875 120.200 -0.111 0.000 2.110 302 E HA -0.084 4.266 4.350 0.000 0.000 0.193 302 E C 2.191 178.661 176.600 -0.216 0.000 0.988 302 E CA 0.853 57.177 56.400 -0.126 0.000 0.804 302 E CB -1.246 28.387 29.700 -0.112 0.000 0.745 302 E HN 0.125 nan 8.360 nan 0.000 0.458 303 V N 1.351 121.069 119.914 -0.327 0.000 2.407 303 V HA -0.215 3.905 4.120 0.000 0.000 0.248 303 V C 2.321 177.834 176.094 -0.967 0.000 1.055 303 V CA 1.166 63.093 62.300 -0.622 0.000 1.049 303 V CB -0.344 31.089 31.823 -0.649 0.000 0.662 303 V HN 0.119 nan 8.190 nan 0.000 0.455 304 L N -0.352 120.466 121.223 -0.675 0.000 2.056 304 L HA -0.133 4.207 4.340 0.000 0.000 0.207 304 L C 2.470 179.221 176.870 -0.199 0.000 1.078 304 L CA 1.902 56.424 54.840 -0.530 0.000 0.749 304 L CB -1.017 40.836 42.059 -0.345 0.000 0.901 304 L HN 0.396 nan 8.230 nan 0.000 0.433 305 Q N -0.269 119.446 119.800 -0.142 0.000 2.181 305 Q HA -0.223 4.118 4.340 0.000 0.000 0.205 305 Q C 2.085 178.097 176.000 0.021 0.000 0.980 305 Q CA 1.715 57.509 55.803 -0.014 0.000 0.862 305 Q CB -0.191 28.578 28.738 0.052 0.000 0.905 305 Q HN 0.462 nan 8.270 nan 0.000 0.429 306 E N -0.648 119.536 120.200 -0.026 0.000 2.015 306 E HA -0.173 4.177 4.350 0.000 0.000 0.191 306 E C 1.750 178.484 176.600 0.222 0.000 0.991 306 E CA 1.111 57.544 56.400 0.054 0.000 0.802 306 E CB -0.498 29.187 29.700 -0.025 0.000 0.759 306 E HN 0.544 nan 8.360 nan 0.000 0.447 307 W N 1.098 122.376 121.300 -0.037 0.000 2.285 307 W HA -0.310 4.350 4.660 0.000 0.000 0.333 307 W C 2.426 178.914 176.519 -0.052 0.000 1.290 307 W CA 0.497 57.811 57.345 -0.052 0.000 1.234 307 W CB -0.634 28.785 29.460 -0.068 0.000 1.154 307 W HN 0.144 nan 8.180 nan 0.000 0.463 308 L N -0.114 121.247 121.223 0.230 0.000 1.997 308 L HA -0.299 4.041 4.340 0.000 0.000 0.216 308 L C 1.973 178.888 176.870 0.075 0.000 1.074 308 L CA 1.481 56.382 54.840 0.102 0.000 0.763 308 L CB -1.154 40.940 42.059 0.058 0.000 0.890 308 L HN 0.008 nan 8.230 nan 0.000 0.434 309 D N -0.043 120.406 120.400 0.081 0.000 2.265 309 D HA -0.175 4.465 4.640 0.000 0.000 0.208 309 D C 1.900 178.233 176.300 0.054 0.000 0.977 309 D CA 1.106 55.143 54.000 0.062 0.000 0.871 309 D CB -0.059 40.779 40.800 0.062 0.000 0.925 309 D HN 0.544 nan 8.370 nan 0.000 0.485 310 E N -0.320 119.918 120.200 0.063 0.000 2.447 310 E HA 0.011 4.361 4.350 0.000 0.000 0.195 310 E C 0.168 176.767 176.600 -0.000 0.000 1.028 310 E CA -0.341 56.079 56.400 0.033 0.000 0.876 310 E CB 0.436 30.159 29.700 0.038 0.000 0.885 310 E HN 0.098 nan 8.360 nan 0.000 0.500 311 L N 2.014 123.240 121.223 0.004 0.000 2.490 311 L HA 0.084 4.424 4.340 0.000 0.000 0.274 311 L C 0.024 176.907 176.870 0.022 0.000 1.201 311 L CA 0.743 55.582 54.840 -0.001 0.000 0.869 311 L CB 0.239 42.307 42.059 0.014 0.000 1.123 311 L HN -0.059 nan 8.230 nan 0.000 0.484 312 E N 1.753 121.976 120.200 0.039 0.000 2.292 312 E HA 0.295 4.645 4.350 0.000 0.000 0.272 312 E C -1.020 175.619 176.600 0.064 0.000 0.881 312 E CA -0.686 55.740 56.400 0.044 0.000 0.754 312 E CB 1.209 30.932 29.700 0.038 0.000 1.201 312 E HN 0.470 nan 8.360 nan 0.000 0.425 313 E N 3.232 123.455 120.200 0.038 0.000 2.529 313 E HA 0.067 4.417 4.350 0.000 0.000 0.259 313 E C -0.514 176.101 176.600 0.025 0.000 0.966 313 E CA 0.725 57.139 56.400 0.024 0.000 0.937 313 E CB 0.460 30.153 29.700 -0.011 0.000 0.923 313 E HN 0.416 nan 8.360 nan 0.000 0.468 314 M N 3.487 123.102 119.600 0.025 0.000 2.569 314 M HA 0.280 4.760 4.480 0.000 0.000 0.279 314 M C -1.519 174.757 176.300 -0.040 0.000 1.253 314 M CA -0.882 54.422 55.300 0.007 0.000 0.867 314 M CB 1.849 34.480 32.600 0.052 0.000 1.727 314 M HN 0.409 nan 8.290 nan 0.000 0.467 315 M N 4.198 123.761 119.600 -0.061 0.000 2.201 315 M HA 0.375 4.855 4.480 0.000 0.000 0.345 315 M C -1.266 174.984 176.300 -0.083 0.000 1.352 315 M CA -0.038 55.211 55.300 -0.085 0.000 1.218 315 M CB -0.235 32.315 32.600 -0.083 0.000 1.512 315 M HN 0.563 nan 8.290 nan 0.000 0.447 316 L N 2.775 123.959 121.223 -0.066 0.000 2.279 316 L HA 0.690 5.030 4.340 0.000 0.000 0.262 316 L C -0.641 176.180 176.870 -0.082 0.000 1.019 316 L CA -0.762 54.020 54.840 -0.098 0.000 0.823 316 L CB 2.451 44.430 42.059 -0.134 0.000 1.358 316 L HN 0.261 nan 8.230 nan 0.000 0.432 317 V N 1.834 121.695 119.914 -0.087 0.000 2.357 317 V HA 0.464 4.584 4.120 0.000 0.000 0.284 317 V C -0.597 175.467 176.094 -0.050 0.000 1.018 317 V CA -0.663 61.588 62.300 -0.082 0.000 0.841 317 V CB 1.536 33.375 31.823 0.026 0.000 0.991 317 V HN 0.346 nan 8.190 nan 0.000 0.437 318 V N 5.029 124.809 119.914 -0.222 0.000 2.448 318 V HA 0.507 4.627 4.120 0.000 0.000 0.295 318 V C -0.916 175.060 176.094 -0.196 0.000 1.025 318 V CA -0.653 61.546 62.300 -0.168 0.000 0.859 318 V CB 1.688 33.231 31.823 -0.467 0.000 0.988 318 V HN 0.972 nan 8.190 nan 0.000 0.431 319 H N 4.498 123.635 119.070 0.112 0.000 2.708 319 H HA 0.677 5.233 4.556 0.000 0.000 0.320 319 H C -0.466 174.970 175.328 0.180 0.000 0.991 319 H CA -0.379 55.755 56.048 0.144 0.000 1.243 319 H CB 1.262 31.080 29.762 0.094 0.000 1.446 319 H HN 0.498 nan 8.280 nan 0.000 0.502 320 M N 4.377 124.144 119.600 0.278 0.000 2.393 320 M HA 0.372 4.852 4.480 0.000 0.000 0.299 320 M C -2.821 173.600 176.300 0.201 0.000 1.103 320 M CA -1.905 53.523 55.300 0.213 0.000 0.910 320 M CB 3.140 35.809 32.600 0.115 0.000 1.659 320 M HN 0.368 nan 8.290 nan 0.000 0.445 321 P HA 0.354 nan 4.420 nan 0.000 0.284 321 P C -1.417 176.040 177.300 0.261 0.000 1.258 321 P CA -0.503 62.774 63.100 0.294 0.000 0.824 321 P CB 0.654 32.590 31.700 0.394 0.000 1.038 322 R N 1.618 122.179 120.500 0.102 0.000 2.615 322 R HA 0.661 5.001 4.340 0.000 0.000 0.270 322 R C 0.015 176.361 176.300 0.076 0.000 1.081 322 R CA -0.130 55.944 56.100 -0.045 0.000 1.154 322 R CB -0.011 30.239 30.300 -0.083 0.000 1.063 322 R HN 0.508 nan 8.270 nan 0.000 0.519 323 F N -2.295 117.636 119.950 -0.032 0.000 2.713 323 F HA 0.589 5.116 4.527 0.000 0.000 0.311 323 F C -1.110 174.591 175.800 -0.166 0.000 1.141 323 F CA -1.393 56.555 58.000 -0.087 0.000 0.939 323 F CB 1.730 40.685 39.000 -0.075 0.000 1.325 323 F HN 0.351 nan 8.300 nan 0.000 0.453 324 R N 2.387 122.904 120.500 0.027 0.000 2.564 324 R HA 0.758 5.098 4.340 0.000 0.000 0.284 324 R C -2.253 173.938 176.300 -0.181 0.000 1.031 324 R CA -0.681 55.304 56.100 -0.193 0.000 0.904 324 R CB 1.967 32.165 30.300 -0.170 0.000 1.199 324 R HN 0.918 nan 8.270 nan 0.000 0.443 325 I N 3.679 124.018 120.570 -0.384 0.000 2.468 325 I HA 0.267 4.438 4.170 0.000 0.000 0.285 325 I C -0.750 175.226 176.117 -0.235 0.000 1.039 325 I CA -0.679 60.466 61.300 -0.258 0.000 1.074 325 I CB 2.237 40.133 38.000 -0.173 0.000 1.228 325 I HN 0.496 nan 8.210 nan 0.000 0.436 326 E N 4.973 125.169 120.200 -0.006 0.000 2.073 326 E HA 0.409 4.759 4.350 0.000 0.000 0.269 326 E C -1.332 175.354 176.600 0.142 0.000 0.917 326 E CA -0.628 55.881 56.400 0.182 0.000 0.757 326 E CB 1.824 31.671 29.700 0.244 0.000 1.111 326 E HN 0.309 nan 8.360 nan 0.000 0.410 327 D N 2.292 122.820 120.400 0.214 0.000 2.542 327 D HA 0.317 4.957 4.640 0.000 0.000 0.252 327 D C -0.606 175.616 176.300 -0.131 0.000 1.222 327 D CA -0.375 53.636 54.000 0.018 0.000 0.895 327 D CB 1.540 42.440 40.800 0.168 0.000 1.207 327 D HN 0.497 nan 8.370 nan 0.000 0.558 328 G N 1.813 110.415 108.800 -0.329 0.000 2.367 328 G HA2 0.596 4.556 3.960 0.000 0.000 0.314 328 G HA3 0.596 4.556 3.960 0.000 0.000 0.314 328 G C -0.908 173.670 174.900 -0.536 0.000 1.130 328 G CA -0.356 44.619 45.100 -0.208 0.000 0.864 328 G HN 0.299 nan 8.290 nan 0.000 0.486 329 F N -0.168 119.903 119.950 0.201 0.000 2.588 329 F HA 0.593 5.120 4.527 0.000 0.000 0.310 329 F C 0.328 176.288 175.800 0.267 0.000 1.082 329 F CA -1.132 57.015 58.000 0.245 0.000 0.929 329 F CB 2.790 41.982 39.000 0.321 0.000 1.254 329 F HN 0.362 nan 8.300 nan 0.000 0.455 330 S N 2.723 118.627 115.700 0.340 0.000 2.406 330 S HA 0.439 4.909 4.470 0.000 0.000 0.224 330 S C 0.906 175.552 174.600 0.078 0.000 1.426 330 S CA -0.546 57.696 58.200 0.069 0.000 1.179 330 S CB -0.124 63.126 63.200 0.084 0.000 1.042 330 S HN 0.687 nan 8.310 nan 0.000 0.479 331 L N 3.538 124.822 121.223 0.101 0.000 2.042 331 L HA -0.110 4.230 4.340 0.000 0.000 0.210 331 L C 2.705 179.579 176.870 0.007 0.000 1.076 331 L CA 1.100 56.046 54.840 0.177 0.000 0.749 331 L CB -0.569 41.673 42.059 0.306 0.000 0.893 331 L HN 0.558 nan 8.230 nan 0.000 0.432 332 K N 0.959 121.222 120.400 -0.228 0.000 2.090 332 K HA -0.315 4.005 4.320 0.000 0.000 0.218 332 K C 1.873 178.206 176.600 -0.445 0.000 1.055 332 K CA 2.683 58.552 56.287 -0.697 0.000 0.941 332 K CB -0.168 31.841 32.500 -0.818 0.000 0.722 332 K HN 0.560 nan 8.250 nan 0.000 0.458 333 E N 0.273 120.338 120.200 -0.225 0.000 2.005 333 E HA -0.291 4.059 4.350 0.000 0.000 0.198 333 E C 2.345 178.886 176.600 -0.099 0.000 1.010 333 E CA 1.559 57.882 56.400 -0.127 0.000 0.825 333 E CB -0.400 29.260 29.700 -0.067 0.000 0.769 333 E HN 0.442 nan 8.360 nan 0.000 0.456 334 Q N 1.260 121.000 119.800 -0.099 0.000 2.062 334 Q HA -0.226 4.114 4.340 0.000 0.000 0.209 334 Q C 2.294 178.186 176.000 -0.179 0.000 0.996 334 Q CA 1.812 57.477 55.803 -0.229 0.000 0.859 334 Q CB -0.291 28.235 28.738 -0.354 0.000 0.920 334 Q HN 0.320 nan 8.270 nan 0.000 0.415 335 L N 0.005 121.210 121.223 -0.030 0.000 1.990 335 L HA -0.287 4.053 4.340 0.000 0.000 0.213 335 L C 2.809 179.703 176.870 0.040 0.000 1.072 335 L CA 1.944 56.806 54.840 0.036 0.000 0.755 335 L CB -0.569 41.571 42.059 0.134 0.000 0.889 335 L HN 0.429 nan 8.230 nan 0.000 0.432 336 Q N -0.333 119.478 119.800 0.019 0.000 2.077 336 Q HA -0.300 4.040 4.340 0.000 0.000 0.206 336 Q C 1.842 177.862 176.000 0.032 0.000 0.989 336 Q CA 2.217 58.055 55.803 0.057 0.000 0.853 336 Q CB -0.122 28.608 28.738 -0.014 0.000 0.907 336 Q HN 0.387 nan 8.270 nan 0.000 0.418 337 D N -0.685 119.715 120.400 -0.000 0.000 2.263 337 D HA -0.116 4.524 4.640 0.000 0.000 0.208 337 D C 1.384 177.706 176.300 0.037 0.000 0.971 337 D CA 0.968 54.986 54.000 0.030 0.000 0.867 337 D CB 0.154 40.999 40.800 0.074 0.000 0.929 337 D HN 0.249 nan 8.370 nan 0.000 0.492 338 M N -1.892 117.698 119.600 -0.017 0.000 2.509 338 M HA 0.246 4.726 4.480 0.000 0.000 0.250 338 M C 1.472 177.762 176.300 -0.016 0.000 1.132 338 M CA 0.858 56.142 55.300 -0.027 0.000 1.080 338 M CB 1.000 33.547 32.600 -0.088 0.000 1.408 338 M HN 0.239 nan 8.290 nan 0.000 0.484 339 G N 0.759 109.564 108.800 0.008 0.000 2.545 339 G HA2 -0.167 3.793 3.960 0.000 0.000 0.195 339 G HA3 -0.167 3.793 3.960 0.000 0.000 0.195 339 G C -0.173 174.751 174.900 0.041 0.000 1.009 339 G CA -0.683 44.425 45.100 0.014 0.000 0.703 339 G HN 0.256 nan 8.290 nan 0.000 0.479 340 L N 3.593 124.855 121.223 0.065 0.000 2.536 340 L HA 0.522 4.862 4.340 0.000 0.000 0.282 340 L C 1.609 178.623 176.870 0.240 0.000 1.174 340 L CA 0.571 55.487 54.840 0.127 0.000 0.989 340 L CB 0.649 42.808 42.059 0.167 0.000 1.311 340 L HN 0.334 nan 8.230 nan 0.000 0.455 341 V N 0.768 120.775 119.914 0.156 0.000 2.635 341 V HA 0.073 4.193 4.120 0.000 0.000 0.233 341 V C 1.707 177.890 176.094 0.149 0.000 1.097 341 V CA 0.616 63.025 62.300 0.182 0.000 1.134 341 V CB -0.957 30.928 31.823 0.103 0.000 0.841 341 V HN 0.481 nan 8.190 nan 0.000 0.496 342 D N 1.186 121.625 120.400 0.065 0.000 2.192 342 D HA -0.262 4.378 4.640 0.000 0.000 0.189 342 D C 1.945 178.250 176.300 0.009 0.000 1.007 342 D CA 2.119 56.138 54.000 0.031 0.000 0.859 342 D CB -0.621 40.185 40.800 0.010 0.000 0.936 342 D HN 0.345 nan 8.370 nan 0.000 0.447 343 L N -0.282 120.889 121.223 -0.088 0.000 2.064 343 L HA -0.217 4.123 4.340 0.000 0.000 0.216 343 L C 1.543 178.273 176.870 -0.234 0.000 1.077 343 L CA 1.747 56.435 54.840 -0.253 0.000 0.766 343 L CB -0.615 41.124 42.059 -0.535 0.000 0.890 343 L HN 0.038 nan 8.230 nan 0.000 0.435 344 F N -0.689 119.385 119.950 0.206 0.000 2.773 344 F HA 0.232 4.759 4.527 0.000 0.000 0.304 344 F C 1.075 176.943 175.800 0.112 0.000 1.129 344 F CA 0.068 58.224 58.000 0.260 0.000 1.378 344 F CB -0.833 38.280 39.000 0.188 0.000 1.095 344 F HN 0.127 nan 8.300 nan 0.000 0.565 345 S N -0.952 114.821 115.700 0.122 0.000 2.473 345 S HA 0.421 4.891 4.470 0.000 0.000 0.307 345 S C -2.133 172.355 174.600 -0.186 0.000 1.094 345 S CA -1.636 56.494 58.200 -0.116 0.000 1.070 345 S CB 2.354 65.533 63.200 -0.035 0.000 1.019 345 S HN -0.237 nan 8.310 nan 0.000 0.480 346 P HA -0.187 nan 4.420 nan 0.000 0.216 346 P C 1.223 178.502 177.300 -0.036 0.000 1.153 346 P CA 1.426 64.386 63.100 -0.233 0.000 0.858 346 P CB 0.103 31.628 31.700 -0.291 0.000 0.789 347 E N -0.090 120.076 120.200 -0.057 0.000 2.086 347 E HA -0.060 4.290 4.350 0.000 0.000 0.190 347 E C 1.854 178.453 176.600 -0.001 0.000 0.975 347 E CA 0.849 57.239 56.400 -0.017 0.000 0.813 347 E CB -0.597 29.090 29.700 -0.022 0.000 0.768 347 E HN 0.324 nan 8.360 nan 0.000 0.457 348 K N 1.629 122.027 120.400 -0.004 0.000 2.116 348 K HA 0.009 4.329 4.320 0.000 0.000 0.203 348 K C 1.261 177.872 176.600 0.017 0.000 1.052 348 K CA 0.519 56.810 56.287 0.008 0.000 0.952 348 K CB -0.138 32.369 32.500 0.011 0.000 0.729 348 K HN 0.112 nan 8.250 nan 0.000 0.446 349 S N 2.316 118.036 115.700 0.034 0.000 2.573 349 S HA -0.024 4.446 4.470 0.000 0.000 0.297 349 S C 0.017 174.635 174.600 0.030 0.000 1.280 349 S CA 0.114 58.340 58.200 0.044 0.000 1.061 349 S CB 0.377 63.637 63.200 0.101 0.000 0.812 349 S HN -0.001 nan 8.310 nan 0.000 0.500 350 K N 3.177 123.584 120.400 0.011 0.000 2.592 350 K HA 0.321 4.641 4.320 0.000 0.000 0.212 350 K C -1.359 175.233 176.600 -0.013 0.000 1.013 350 K CA -0.459 55.828 56.287 0.000 0.000 1.034 350 K CB 0.935 33.433 32.500 -0.004 0.000 1.292 350 K HN 0.503 nan 8.250 nan 0.000 0.521 351 L N 3.668 124.886 121.223 -0.009 0.000 2.959 351 L HA 0.248 4.588 4.340 0.000 0.000 0.236 351 L C -1.517 175.335 176.870 -0.030 0.000 1.296 351 L CA -2.033 52.793 54.840 -0.024 0.000 1.047 351 L CB 0.682 42.742 42.059 0.002 0.000 1.395 351 L HN 0.135 nan 8.230 nan 0.000 0.492 352 P HA -0.200 nan 4.420 nan 0.000 0.218 352 P C 1.526 178.810 177.300 -0.027 0.000 1.154 352 P CA 1.459 64.540 63.100 -0.033 0.000 0.872 352 P CB 0.239 31.916 31.700 -0.038 0.000 0.790 353 G N -0.848 107.922 108.800 -0.050 0.000 2.708 353 G HA2 -0.058 3.902 3.960 0.000 0.000 0.210 353 G HA3 -0.058 3.902 3.960 0.000 0.000 0.210 353 G C 0.984 175.983 174.900 0.164 0.000 1.141 353 G CA 0.091 45.208 45.100 0.028 0.000 0.788 353 G HN 0.339 nan 8.290 nan 0.000 0.531 354 I N 0.749 121.342 120.570 0.040 0.000 3.707 354 I HA 0.143 4.313 4.170 0.000 0.000 0.330 354 I C 0.001 176.053 176.117 -0.108 0.000 1.572 354 I CA -0.407 60.847 61.300 -0.077 0.000 1.104 354 I CB 1.083 38.994 38.000 -0.148 0.000 1.240 354 I HN -0.241 nan 8.210 nan 0.000 0.475 355 V N 2.948 122.826 119.914 -0.060 0.000 2.357 355 V HA 0.056 4.176 4.120 0.000 0.000 0.239 355 V C 1.244 177.289 176.094 -0.081 0.000 1.168 355 V CA 0.470 62.737 62.300 -0.054 0.000 1.262 355 V CB -0.461 31.344 31.823 -0.030 0.000 1.314 355 V HN 0.590 nan 8.190 nan 0.000 0.486 356 A N 3.761 126.514 122.820 -0.112 0.000 2.812 356 A HA 0.629 4.949 4.320 0.000 0.000 0.294 356 A C 0.332 177.857 177.584 -0.100 0.000 1.014 356 A CA -0.304 51.652 52.037 -0.135 0.000 1.024 356 A CB 0.199 19.053 19.000 -0.243 0.000 1.162 356 A HN 0.587 nan 8.150 nan 0.000 0.511 357 E N -1.893 118.269 120.200 -0.063 0.000 2.315 357 E HA 0.395 4.745 4.350 0.000 0.000 0.256 357 E C 0.168 176.751 176.600 -0.027 0.000 1.148 357 E CA 0.013 56.386 56.400 -0.044 0.000 0.898 357 E CB 0.631 30.311 29.700 -0.033 0.000 1.708 357 E HN 0.207 nan 8.360 nan 0.000 0.473 358 G N 0.295 109.085 108.800 -0.017 0.000 3.690 358 G HA2 0.335 4.295 3.960 0.000 0.000 0.283 358 G HA3 0.335 4.295 3.960 0.000 0.000 0.283 358 G C 0.301 175.199 174.900 -0.002 0.000 1.057 358 G CA 0.222 45.317 45.100 -0.009 0.000 0.821 358 G HN 0.161 nan 8.290 nan 0.000 0.526 359 R N -0.535 119.964 120.500 -0.002 0.000 2.712 359 R HA 0.361 4.702 4.340 0.000 0.000 0.272 359 R C -2.274 174.032 176.300 0.009 0.000 1.032 359 R CA -0.645 55.459 56.100 0.007 0.000 0.874 359 R CB 1.113 31.423 30.300 0.016 0.000 1.256 359 R HN -0.100 nan 8.270 nan 0.000 0.468 360 D N 1.727 122.137 120.400 0.017 0.000 2.634 360 D HA 0.160 4.801 4.640 0.000 0.000 0.318 360 D C -1.001 175.324 176.300 0.042 0.000 1.226 360 D CA -0.110 53.903 54.000 0.022 0.000 0.899 360 D CB 0.763 41.571 40.800 0.013 0.000 1.025 360 D HN 0.601 nan 8.370 nan 0.000 0.501 361 D N 1.471 121.911 120.400 0.068 0.000 2.819 361 D HA 0.080 4.720 4.640 0.000 0.000 0.326 361 D C 0.369 176.801 176.300 0.220 0.000 1.408 361 D CA -0.357 53.713 54.000 0.117 0.000 0.811 361 D CB -0.212 40.652 40.800 0.107 0.000 1.148 361 D HN 0.263 nan 8.370 nan 0.000 0.457 362 L N 1.930 123.239 121.223 0.143 0.000 2.361 362 L HA 0.269 4.609 4.340 0.000 0.000 0.278 362 L C -0.760 176.230 176.870 0.201 0.000 1.113 362 L CA -0.252 54.657 54.840 0.115 0.000 0.849 362 L CB 0.149 42.212 42.059 0.007 0.000 1.155 362 L HN 0.200 nan 8.230 nan 0.000 0.452 363 Y N 1.527 121.852 120.300 0.041 0.000 2.624 363 Y HA 0.466 5.016 4.550 0.000 0.000 0.334 363 Y C -1.058 174.898 175.900 0.095 0.000 1.155 363 Y CA -1.400 56.730 58.100 0.050 0.000 1.046 363 Y CB 0.733 39.234 38.460 0.069 0.000 1.316 363 Y HN 0.022 nan 8.280 nan 0.000 0.457 364 V N 3.395 123.315 119.914 0.010 0.000 2.479 364 V HA 0.052 4.172 4.120 0.000 0.000 0.281 364 V C 0.723 176.941 176.094 0.208 0.000 1.031 364 V CA 0.861 63.181 62.300 0.035 0.000 1.038 364 V CB 0.727 32.605 31.823 0.091 0.000 0.981 364 V HN 1.029 nan 8.190 nan 0.000 0.478 365 S N 3.050 118.743 115.700 -0.011 0.000 2.428 365 S HA -0.016 4.454 4.470 0.000 0.000 0.230 365 S C 0.522 175.294 174.600 0.287 0.000 1.014 365 S CA 0.800 59.101 58.200 0.169 0.000 0.957 365 S CB -0.108 63.129 63.200 0.060 0.000 0.784 365 S HN 0.949 nan 8.310 nan 0.000 0.499 366 D N -1.930 118.637 120.400 0.277 0.000 3.064 366 D HA 0.396 5.036 4.640 0.000 0.000 0.288 366 D C -2.033 174.326 176.300 0.097 0.000 1.140 366 D CA -0.189 53.877 54.000 0.110 0.000 0.725 366 D CB 0.733 41.428 40.800 -0.176 0.000 1.295 366 D HN 0.099 nan 8.370 nan 0.000 0.448 367 A N 1.322 124.106 122.820 -0.061 0.000 2.343 367 A HA 0.731 5.051 4.320 0.000 0.000 0.308 367 A C -1.430 176.031 177.584 -0.205 0.000 1.092 367 A CA -0.471 51.603 52.037 0.062 0.000 0.751 367 A CB 0.510 19.737 19.000 0.379 0.000 1.203 367 A HN 0.227 nan 8.150 nan 0.000 0.452 368 F N 1.444 121.571 119.950 0.295 0.000 2.458 368 F HA 0.578 5.105 4.527 0.000 0.000 0.336 368 F C 0.214 176.239 175.800 0.375 0.000 1.114 368 F CA 0.013 58.194 58.000 0.301 0.000 0.987 368 F CB 2.002 41.137 39.000 0.225 0.000 1.130 368 F HN 0.759 nan 8.300 nan 0.000 0.458 369 H N 2.477 121.831 119.070 0.473 0.000 2.856 369 H HA 0.549 5.106 4.556 0.000 0.000 0.355 369 H C -1.580 174.090 175.328 0.570 0.000 1.079 369 H CA -1.001 55.296 56.048 0.414 0.000 1.240 369 H CB 1.675 31.587 29.762 0.251 0.000 1.701 369 H HN 0.625 nan 8.280 nan 0.000 0.527 370 K N 3.870 124.202 120.400 -0.114 0.000 2.482 370 K HA 0.816 5.136 4.320 0.000 0.000 0.251 370 K C -1.871 174.730 176.600 0.001 0.000 0.936 370 K CA -0.730 55.572 56.287 0.024 0.000 0.791 370 K CB 1.702 34.289 32.500 0.145 0.000 1.213 370 K HN 0.662 nan 8.250 nan 0.000 0.428 371 A N 3.564 126.531 122.820 0.245 0.000 2.365 371 A HA 0.760 5.080 4.320 0.000 0.000 0.318 371 A C -1.836 176.199 177.584 0.751 0.000 1.091 371 A CA -0.635 51.726 52.037 0.540 0.000 0.763 371 A CB 0.718 20.002 19.000 0.474 0.000 1.248 371 A HN 0.668 nan 8.150 nan 0.000 0.442 372 F N 2.293 122.570 119.950 0.545 0.000 2.547 372 F HA 0.702 5.229 4.527 0.000 0.000 0.316 372 F C -1.547 174.191 175.800 -0.103 0.000 1.121 372 F CA -1.033 57.092 58.000 0.208 0.000 0.911 372 F CB 1.918 41.011 39.000 0.155 0.000 1.179 372 F HN 0.520 nan 8.300 nan 0.000 0.443 373 L N 5.940 126.427 121.223 -1.226 0.000 2.439 373 L HA 0.516 4.857 4.340 0.000 0.000 0.270 373 L C -1.536 174.728 176.870 -1.011 0.000 0.972 373 L CA -0.230 53.905 54.840 -1.174 0.000 0.836 373 L CB 1.817 42.830 42.059 -1.743 0.000 1.255 373 L HN 0.701 nan 8.230 nan 0.000 0.404 374 E N 4.396 124.187 120.200 -0.681 0.000 2.235 374 E HA 0.472 4.822 4.350 0.000 0.000 0.252 374 E C -1.724 174.634 176.600 -0.403 0.000 0.886 374 E CA -0.444 55.660 56.400 -0.493 0.000 0.767 374 E CB 1.877 31.424 29.700 -0.256 0.000 1.205 374 E HN 0.505 nan 8.360 nan 0.000 0.421 375 V N 5.944 125.531 119.914 -0.544 0.000 2.398 375 V HA 0.417 4.537 4.120 0.000 0.000 0.286 375 V C 0.306 176.170 176.094 -0.385 0.000 1.026 375 V CA -0.537 61.435 62.300 -0.547 0.000 0.868 375 V CB 1.336 32.606 31.823 -0.922 0.000 0.982 375 V HN 0.720 nan 8.190 nan 0.000 0.443 376 N N 2.228 120.804 118.700 -0.206 0.000 3.278 376 N HA 0.371 5.111 4.740 0.000 0.000 0.307 376 N C 0.178 175.688 175.510 0.001 0.000 1.551 376 N CA -0.750 52.226 53.050 -0.123 0.000 0.794 376 N CB 1.817 40.247 38.487 -0.096 0.000 1.770 376 N HN 0.272 nan 8.380 nan 0.000 0.612 377 E N 0.563 120.768 120.200 0.009 0.000 2.085 377 E HA -0.153 4.197 4.350 0.000 0.000 0.194 377 E C 1.265 178.141 176.600 0.460 0.000 0.994 377 E CA 1.487 57.987 56.400 0.166 0.000 0.801 377 E CB -0.048 29.747 29.700 0.159 0.000 0.743 377 E HN 0.526 nan 8.360 nan 0.000 0.453 378 E N -0.348 119.999 120.200 0.245 0.000 2.208 378 E HA 0.024 4.374 4.350 0.000 0.000 0.193 378 E C 0.849 177.505 176.600 0.093 0.000 0.988 378 E CA 0.852 57.374 56.400 0.203 0.000 0.828 378 E CB 0.278 30.025 29.700 0.078 0.000 0.763 378 E HN 0.242 nan 8.360 nan 0.000 0.478 379 G N 0.226 108.890 108.800 -0.228 0.000 2.334 379 G HA2 -0.125 3.835 3.960 0.000 0.000 0.249 379 G HA3 -0.125 3.835 3.960 0.000 0.000 0.249 379 G C -1.134 173.433 174.900 -0.555 0.000 1.327 379 G CA -0.179 44.388 45.100 -0.888 0.000 0.979 379 G HN 0.060 nan 8.290 nan 0.000 0.471 380 S N 0.506 115.952 115.700 -0.424 0.000 2.430 380 S HA 0.499 4.969 4.470 0.000 0.000 0.289 380 S C 0.489 174.852 174.600 -0.395 0.000 1.143 380 S CA 1.030 58.997 58.200 -0.389 0.000 1.067 380 S CB 0.079 63.054 63.200 -0.375 0.000 0.964 380 S HN 0.949 nan 8.310 nan 0.000 0.485 381 E N 0.959 121.004 120.200 -0.258 0.000 2.442 381 E HA -0.195 4.155 4.350 0.000 0.000 0.256 381 E C -0.423 176.092 176.600 -0.141 0.000 1.095 381 E CA 0.840 57.145 56.400 -0.158 0.000 0.747 381 E CB -1.708 27.887 29.700 -0.174 0.000 1.310 381 E HN 0.831 nan 8.360 nan 0.000 0.396 382 A N -0.037 122.706 122.820 -0.128 0.000 2.455 382 A HA 0.849 5.169 4.320 0.000 0.000 0.300 382 A C -0.834 176.718 177.584 -0.053 0.000 1.040 382 A CA 0.151 52.135 52.037 -0.088 0.000 0.697 382 A CB 2.030 20.971 19.000 -0.098 0.000 1.265 382 A HN 0.424 nan 8.150 nan 0.000 0.407 383 A N 0.678 123.481 122.820 -0.030 0.000 2.401 383 A HA 1.099 5.419 4.320 0.000 0.000 0.310 383 A C -0.187 177.395 177.584 -0.004 0.000 1.075 383 A CA -0.012 52.016 52.037 -0.015 0.000 0.746 383 A CB 1.416 20.408 19.000 -0.013 0.000 1.277 383 A HN 2.838 nan 8.150 nan 0.000 0.425 384 A N -0.019 122.804 122.820 0.005 0.000 2.519 384 A HA 0.572 4.892 4.320 0.000 0.000 0.298 384 A C -0.324 177.268 177.584 0.013 0.000 0.963 384 A CA 0.039 52.081 52.037 0.009 0.000 0.624 384 A CB -0.301 18.706 19.000 0.012 0.000 1.356 384 A HN 1.375 nan 8.150 nan 0.000 0.441 385 S N 1.149 116.855 115.700 0.009 0.000 3.700 385 S HA 0.360 4.830 4.470 0.000 0.000 0.192 385 S C 0.131 174.734 174.600 0.005 0.000 1.430 385 S CA 0.142 58.345 58.200 0.004 0.000 0.999 385 S CB -0.620 62.579 63.200 -0.001 0.000 1.411 385 S HN 0.652 nan 8.310 nan 0.000 0.491 386 T N 3.303 117.868 114.554 0.017 0.000 3.945 386 T HA 0.326 4.676 4.350 0.000 0.000 0.306 386 T C 0.775 175.473 174.700 -0.005 0.000 1.475 386 T CA -0.282 61.831 62.100 0.021 0.000 1.177 386 T CB -0.258 68.641 68.868 0.051 0.000 1.272 386 T HN 0.576 nan 8.240 nan 0.000 0.930 387 A N 2.323 125.129 122.820 -0.025 0.000 2.536 387 A HA 0.398 4.718 4.320 0.000 0.000 0.234 387 A C 0.300 177.850 177.584 -0.057 0.000 1.076 387 A CA -0.132 51.871 52.037 -0.058 0.000 0.769 387 A CB 0.259 19.234 19.000 -0.043 0.000 1.020 387 A HN 0.526 nan 8.150 nan 0.000 0.508 388 V N 1.360 121.214 119.914 -0.100 0.000 2.588 388 V HA 0.537 4.657 4.120 0.000 0.000 0.304 388 V C -0.489 175.587 176.094 -0.030 0.000 1.042 388 V CA -0.401 61.864 62.300 -0.059 0.000 0.877 388 V CB 1.664 33.445 31.823 -0.070 0.000 0.996 388 V HN 1.043 nan 8.190 nan 0.000 0.425 389 V N 3.145 123.060 119.914 0.002 0.000 2.482 389 V HA 0.664 4.784 4.120 0.000 0.000 0.295 389 V C -0.687 175.418 176.094 0.019 0.000 1.026 389 V CA -0.526 61.779 62.300 0.008 0.000 0.856 389 V CB 1.475 33.298 31.823 0.001 0.000 1.001 389 V HN 0.684 nan 8.190 nan 0.000 0.424 390 I N 4.404 124.990 120.570 0.027 0.000 2.382 390 I HA 0.831 5.002 4.170 0.000 0.000 0.286 390 I C 0.390 176.512 176.117 0.009 0.000 1.002 390 I CA -0.516 60.796 61.300 0.020 0.000 1.135 390 I CB 1.743 39.762 38.000 0.032 0.000 1.288 390 I HN 0.845 nan 8.210 nan 0.000 0.448 391 A N 3.940 126.761 122.820 0.001 0.000 2.380 391 A HA 0.795 5.115 4.320 0.000 0.000 0.315 391 A C 0.698 178.278 177.584 -0.008 0.000 1.101 391 A CA -0.026 52.010 52.037 -0.002 0.000 0.771 391 A CB 1.423 20.422 19.000 -0.001 0.000 1.287 391 A HN 1.102 nan 8.150 nan 0.000 0.436 392 G N 0.160 108.955 108.800 -0.008 0.000 2.143 392 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 392 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 392 G C 0.304 175.195 174.900 -0.016 0.000 0.991 392 G CA 0.643 45.737 45.100 -0.011 0.000 0.689 392 G HN 0.902 nan 8.290 nan 0.000 0.522 393 R N 0.229 120.719 120.500 -0.016 0.000 2.265 393 R HA 0.585 4.926 4.340 0.000 0.000 0.319 393 R C -0.677 175.611 176.300 -0.021 0.000 1.006 393 R CA 0.033 56.120 56.100 -0.023 0.000 0.880 393 R CB 1.017 31.301 30.300 -0.028 0.000 1.077 393 R HN 0.115 nan 8.270 nan 0.000 0.454 394 S N 5.789 121.473 115.700 -0.025 0.000 2.383 394 S HA 0.320 4.790 4.470 0.000 0.000 0.196 394 S C -0.538 174.045 174.600 -0.028 0.000 1.364 394 S CA -0.652 57.534 58.200 -0.023 0.000 1.212 394 S CB 0.237 63.427 63.200 -0.018 0.000 1.171 394 S HN 0.499 nan 8.310 nan 0.000 0.456 395 L N 2.786 123.990 121.223 -0.032 0.000 2.453 395 L HA 0.429 4.770 4.340 0.000 0.000 0.261 395 L C 0.832 177.684 176.870 -0.030 0.000 1.179 395 L CA -0.813 54.005 54.840 -0.038 0.000 0.813 395 L CB 0.345 42.375 42.059 -0.049 0.000 1.110 395 L HN 0.538 nan 8.230 nan 0.000 0.466 396 N N 2.437 121.118 118.700 -0.031 0.000 2.452 396 N HA 0.063 4.803 4.740 0.000 0.000 0.266 396 N C -1.662 173.833 175.510 -0.024 0.000 1.209 396 N CA -1.120 51.915 53.050 -0.025 0.000 0.929 396 N CB 0.860 39.332 38.487 -0.024 0.000 1.063 396 N HN 0.255 nan 8.380 nan 0.000 0.472 397 P HA -0.192 nan 4.420 nan 0.000 0.219 397 P C -0.052 177.238 177.300 -0.017 0.000 1.144 397 P CA 1.409 64.500 63.100 -0.016 0.000 0.806 397 P CB 0.161 31.854 31.700 -0.012 0.000 0.771 398 N N -0.446 118.243 118.700 -0.018 0.000 2.270 398 N HA 0.010 4.750 4.740 0.000 0.000 0.198 398 N C 0.564 176.059 175.510 -0.024 0.000 1.117 398 N CA -0.187 52.852 53.050 -0.018 0.000 0.845 398 N CB 0.131 38.610 38.487 -0.014 0.000 0.980 398 N HN 0.142 nan 8.380 nan 0.000 0.486 399 R N 1.771 122.252 120.500 -0.032 0.000 2.698 399 R HA 0.046 4.386 4.340 0.000 0.000 0.266 399 R C 0.569 176.835 176.300 -0.057 0.000 1.026 399 R CA -0.152 55.920 56.100 -0.046 0.000 1.102 399 R CB -0.415 29.852 30.300 -0.055 0.000 0.978 399 R HN -0.130 nan 8.270 nan 0.000 0.436 400 V N 0.480 120.341 119.914 -0.089 0.000 3.237 400 V HA 0.477 4.597 4.120 0.000 0.000 0.305 400 V C 0.110 176.133 176.094 -0.119 0.000 1.096 400 V CA 0.471 62.699 62.300 -0.120 0.000 1.130 400 V CB 1.049 32.749 31.823 -0.205 0.000 1.048 400 V HN 1.142 nan 8.190 nan 0.000 0.484 401 T N 2.745 117.245 114.554 -0.091 0.000 2.909 401 T HA 0.611 4.961 4.350 0.000 0.000 0.299 401 T C -1.255 173.453 174.700 0.014 0.000 1.073 401 T CA -0.489 61.603 62.100 -0.013 0.000 0.999 401 T CB 1.424 70.316 68.868 0.039 0.000 1.098 401 T HN 1.067 nan 8.240 nan 0.000 0.477 402 F N 3.532 123.441 119.950 -0.069 0.000 2.434 402 F HA 0.554 5.082 4.527 0.000 0.000 0.367 402 F C -0.168 175.645 175.800 0.021 0.000 1.093 402 F CA -0.874 57.089 58.000 -0.061 0.000 1.085 402 F CB 1.017 39.946 39.000 -0.118 0.000 1.322 402 F HN 0.698 nan 8.300 nan 0.000 0.452 403 K N 5.126 125.399 120.400 -0.212 0.000 2.354 403 K HA 0.637 4.957 4.320 0.000 0.000 0.257 403 K C -0.540 175.897 176.600 -0.271 0.000 1.062 403 K CA -0.469 55.679 56.287 -0.232 0.000 0.971 403 K CB 0.815 33.040 32.500 -0.460 0.000 1.305 403 K HN 0.633 nan 8.250 nan 0.000 0.449 404 A N 4.754 127.475 122.820 -0.165 0.000 2.990 404 A HA 0.058 4.378 4.320 0.000 0.000 0.282 404 A C 0.195 177.806 177.584 0.044 0.000 1.688 404 A CA -0.525 51.396 52.037 -0.193 0.000 1.391 404 A CB -0.562 18.221 19.000 -0.362 0.000 1.112 404 A HN 0.869 nan 8.150 nan 0.000 0.588 405 N N 1.396 120.029 118.700 -0.112 0.000 2.328 405 N HA 0.133 4.873 4.740 0.000 0.000 0.247 405 N C -0.202 174.874 175.510 -0.723 0.000 1.165 405 N CA -0.377 52.554 53.050 -0.199 0.000 0.873 405 N CB 0.074 38.575 38.487 0.022 0.000 1.125 405 N HN 0.709 nan 8.380 nan 0.000 0.513 406 R N -2.210 117.736 120.500 -0.923 0.000 2.716 406 R HA 0.582 4.923 4.340 0.000 0.000 0.271 406 R C -3.222 172.941 176.300 -0.229 0.000 1.028 406 R CA -1.543 54.025 56.100 -0.887 0.000 0.883 406 R CB -0.182 29.934 30.300 -0.305 0.000 1.250 406 R HN -0.200 nan 8.270 nan 0.000 0.465 407 P HA -0.006 nan 4.420 nan 0.000 0.266 407 P C -1.079 176.420 177.300 0.333 0.000 1.186 407 P CA 0.282 63.603 63.100 0.368 0.000 0.767 407 P CB 0.078 31.913 31.700 0.225 0.000 0.820 408 F N -0.558 119.498 119.950 0.176 0.000 2.668 408 F HA 0.595 5.122 4.527 0.000 0.000 0.309 408 F C -1.382 174.489 175.800 0.117 0.000 1.117 408 F CA -1.621 56.465 58.000 0.143 0.000 0.951 408 F CB 0.531 39.636 39.000 0.174 0.000 1.323 408 F HN -0.010 nan 8.300 nan 0.000 0.451 409 L N 1.960 123.377 121.223 0.323 0.000 2.421 409 L HA 0.777 5.117 4.340 0.000 0.000 0.263 409 L C -0.636 176.389 176.870 0.258 0.000 1.122 409 L CA -1.295 53.644 54.840 0.164 0.000 0.804 409 L CB 1.487 43.642 42.059 0.159 0.000 1.150 409 L HN 0.582 nan 8.230 nan 0.000 0.457 410 V N 2.057 121.970 119.914 -0.001 0.000 2.569 410 V HA 0.417 4.537 4.120 0.000 0.000 0.301 410 V C -1.088 174.982 176.094 -0.041 0.000 1.044 410 V CA -0.344 62.061 62.300 0.174 0.000 0.874 410 V CB 1.787 33.784 31.823 0.290 0.000 1.002 410 V HN 0.380 nan 8.190 nan 0.000 0.424 411 F N 5.424 125.538 119.950 0.274 0.000 2.477 411 F HA 0.631 5.159 4.527 0.000 0.000 0.335 411 F C 0.040 176.007 175.800 0.279 0.000 1.130 411 F CA -0.587 57.551 58.000 0.230 0.000 0.948 411 F CB 1.775 40.874 39.000 0.164 0.000 1.154 411 F HN 0.231 nan 8.300 nan 0.000 0.439 412 I N 4.985 125.819 120.570 0.440 0.000 2.371 412 I HA 0.394 4.564 4.170 0.000 0.000 0.282 412 I C -0.257 175.995 176.117 0.226 0.000 1.031 412 I CA -0.486 61.030 61.300 0.360 0.000 1.180 412 I CB 0.699 38.916 38.000 0.361 0.000 1.336 412 I HN 0.603 nan 8.210 nan 0.000 0.467 413 R N 4.346 124.961 120.500 0.191 0.000 2.832 413 R HA 0.563 4.903 4.340 0.000 0.000 0.271 413 R C -0.628 175.691 176.300 0.032 0.000 0.996 413 R CA -0.851 55.306 56.100 0.095 0.000 0.977 413 R CB 1.856 32.216 30.300 0.100 0.000 1.168 413 R HN 0.218 nan 8.270 nan 0.000 0.482 414 E N 2.644 122.830 120.200 -0.024 0.000 2.046 414 E HA 0.096 4.446 4.350 0.000 0.000 0.279 414 E C 0.766 177.329 176.600 -0.062 0.000 0.989 414 E CA -0.346 56.023 56.400 -0.052 0.000 0.798 414 E CB 1.671 31.314 29.700 -0.096 0.000 1.086 414 E HN 0.609 nan 8.360 nan 0.000 0.399 415 V N 7.003 126.897 119.914 -0.034 0.000 2.214 415 V HA -0.224 3.896 4.120 0.000 0.000 0.247 415 V C -0.842 175.188 176.094 -0.106 0.000 1.051 415 V CA 2.136 64.407 62.300 -0.050 0.000 1.003 415 V CB -1.274 30.546 31.823 -0.006 0.000 0.635 415 V HN 0.587 nan 8.190 nan 0.000 0.447 416 P HA -0.099 nan 4.420 nan 0.000 0.217 416 P C 1.661 178.857 177.300 -0.174 0.000 1.150 416 P CA 1.512 64.541 63.100 -0.118 0.000 0.832 416 P CB -0.102 31.550 31.700 -0.079 0.000 0.787 417 L N -1.822 119.303 121.223 -0.164 0.000 2.558 417 L HA 0.152 4.492 4.340 0.000 0.000 0.225 417 L C 0.608 177.323 176.870 -0.257 0.000 1.128 417 L CA 0.067 54.792 54.840 -0.191 0.000 0.868 417 L CB -1.203 40.768 42.059 -0.147 0.000 1.006 417 L HN 0.036 nan 8.230 nan 0.000 0.454 418 N N 1.479 120.017 118.700 -0.270 0.000 2.667 418 N HA -0.171 4.569 4.740 0.000 0.000 0.263 418 N C -0.135 175.263 175.510 -0.187 0.000 1.038 418 N CA 0.647 53.506 53.050 -0.318 0.000 0.749 418 N CB -0.241 37.830 38.487 -0.693 0.000 0.892 418 N HN 0.458 nan 8.380 nan 0.000 0.546 419 T N -0.702 113.793 114.554 -0.100 0.000 2.861 419 T HA 0.569 4.919 4.350 0.000 0.000 0.287 419 T C -0.059 174.644 174.700 0.006 0.000 1.003 419 T CA -0.753 61.326 62.100 -0.034 0.000 0.977 419 T CB 1.342 70.181 68.868 -0.048 0.000 0.996 419 T HN 0.174 nan 8.240 nan 0.000 0.448 420 I N 5.579 126.185 120.570 0.059 0.000 2.363 420 I HA 0.238 4.408 4.170 0.000 0.000 0.292 420 I C 1.414 177.539 176.117 0.013 0.000 1.075 420 I CA -0.463 60.901 61.300 0.107 0.000 1.333 420 I CB 0.559 38.681 38.000 0.202 0.000 1.415 420 I HN 0.704 nan 8.210 nan 0.000 0.502 421 I N 5.382 125.919 120.570 -0.054 0.000 2.206 421 I HA -0.040 4.130 4.170 0.000 0.000 0.239 421 I C 0.161 175.934 176.117 -0.574 0.000 1.078 421 I CA 1.212 62.327 61.300 -0.307 0.000 1.367 421 I CB -0.028 37.781 38.000 -0.319 0.000 1.078 421 I HN 0.287 nan 8.210 nan 0.000 0.413 422 F N 0.770 120.719 119.950 -0.003 0.000 2.576 422 F HA 0.583 5.110 4.527 0.000 0.000 0.313 422 F C -0.128 175.630 175.800 -0.070 0.000 1.078 422 F CA -0.929 57.010 58.000 -0.102 0.000 0.921 422 F CB 1.793 40.756 39.000 -0.062 0.000 1.232 422 F HN -0.154 nan 8.300 nan 0.000 0.459 423 M N 1.360 120.952 119.600 -0.013 0.000 2.371 423 M HA 0.930 5.410 4.480 0.000 0.000 0.287 423 M C -1.139 175.104 176.300 -0.094 0.000 1.149 423 M CA -0.266 54.904 55.300 -0.216 0.000 0.929 423 M CB 2.341 34.655 32.600 -0.475 0.000 1.683 423 M HN 0.710 nan 8.290 nan 0.000 0.470 424 G N 1.837 110.581 108.800 -0.094 0.000 2.815 424 G HA2 0.754 4.714 3.960 0.000 0.000 0.305 424 G HA3 0.754 4.714 3.960 0.000 0.000 0.305 424 G C -2.069 172.848 174.900 0.028 0.000 1.277 424 G CA -0.937 44.258 45.100 0.157 0.000 0.795 424 G HN 0.851 nan 8.290 nan 0.000 0.528 425 R N -0.330 120.202 120.500 0.053 0.000 2.508 425 R HA 0.445 4.786 4.340 0.000 0.000 0.283 425 R C -1.814 174.317 176.300 -0.282 0.000 1.120 425 R CA -0.421 55.636 56.100 -0.070 0.000 0.958 425 R CB 2.103 32.467 30.300 0.106 0.000 1.215 425 R HN 0.357 nan 8.270 nan 0.000 0.427 426 V N 4.824 124.344 119.914 -0.657 0.000 2.322 426 V HA 0.249 4.369 4.120 0.000 0.000 0.258 426 V C 0.983 176.769 176.094 -0.515 0.000 1.074 426 V CA 0.347 62.121 62.300 -0.877 0.000 0.909 426 V CB 0.731 31.549 31.823 -1.675 0.000 1.090 426 V HN 0.915 nan 8.190 nan 0.000 0.486 427 A N 4.244 126.882 122.820 -0.304 0.000 2.063 427 A HA 0.244 4.565 4.320 0.000 0.000 0.211 427 A C 0.966 178.425 177.584 -0.208 0.000 1.177 427 A CA 0.404 52.373 52.037 -0.113 0.000 0.759 427 A CB 0.110 19.088 19.000 -0.036 0.000 0.857 427 A HN 0.617 nan 8.150 nan 0.000 0.468 428 N N -0.681 117.777 118.700 -0.403 0.000 2.699 428 N HA 0.243 4.983 4.740 0.000 0.000 0.271 428 N C -2.985 172.254 175.510 -0.453 0.000 1.216 428 N CA -1.094 51.685 53.050 -0.452 0.000 0.844 428 N CB 1.839 40.207 38.487 -0.199 0.000 1.462 428 N HN -0.095 nan 8.380 nan 0.000 0.555 429 P HA 0.230 nan 4.420 nan 0.000 0.261 429 P C -0.098 177.111 177.300 -0.152 0.000 1.268 429 P CA 0.044 62.963 63.100 -0.301 0.000 0.833 429 P CB -0.189 31.368 31.700 -0.239 0.000 1.231 430 c N -0.334 118.160 118.600 -0.176 0.000 2.527 430 c HA 0.302 4.872 4.570 0.000 0.000 0.396 430 c C 2.099 176.157 174.090 -0.054 0.000 1.289 430 c CA -0.684 55.597 56.329 -0.079 0.000 2.047 430 c CB 0.321 42.798 42.510 -0.055 0.000 2.568 430 c HN -0.012 nan 8.230 nan 0.000 0.573 431 V N 2.017 121.915 119.914 -0.028 0.000 3.510 431 V HA -0.016 4.104 4.120 0.000 0.000 0.270 431 V C 0.777 176.861 176.094 -0.017 0.000 1.201 431 V CA 1.728 64.016 62.300 -0.019 0.000 1.166 431 V CB -1.249 30.569 31.823 -0.009 0.000 0.825 431 V HN 0.926 nan 8.190 nan 0.000 0.484 432 K N 0.000 120.388 120.400 -0.019 0.000 2.780 432 K HA 0.000 4.320 4.320 0.000 0.000 0.191 432 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 432 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 432 K HN 0.000 nan 8.250 nan 0.000 0.543