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 1ajb_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DSAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQGATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAE ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.698 174.700 -0.003 0.000 1.109 1 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 1 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 2 P HA 0.591 nan 4.420 nan 0.000 0.282 2 P C -0.577 176.720 177.300 -0.005 0.000 1.262 2 P CA 0.116 63.212 63.100 -0.007 0.000 0.773 2 P CB 0.621 32.313 31.700 -0.013 0.000 0.879 3 E N 3.062 123.265 120.200 0.005 0.000 2.292 3 E HA 0.336 4.685 4.350 -0.000 0.000 0.272 3 E C -0.594 176.028 176.600 0.037 0.000 0.881 3 E CA -0.643 55.768 56.400 0.019 0.000 0.754 3 E CB 1.697 31.414 29.700 0.028 0.000 1.201 3 E HN 0.397 nan 8.360 nan 0.000 0.425 4 M N 3.854 123.482 119.600 0.047 0.000 2.188 4 M HA 0.220 4.699 4.480 -0.000 0.000 0.354 4 M C -2.062 174.382 176.300 0.240 0.000 1.342 4 M CA -1.419 53.923 55.300 0.070 0.000 1.117 4 M CB 0.646 33.188 32.600 -0.096 0.000 1.670 4 M HN 0.070 nan 8.290 nan 0.000 0.466 5 P HA 0.232 nan 4.420 nan 0.000 0.279 5 P C -0.881 176.541 177.300 0.203 0.000 1.239 5 P CA -0.432 62.767 63.100 0.166 0.000 0.789 5 P CB 0.823 32.576 31.700 0.088 0.000 0.933 6 V N 0.816 120.742 119.914 0.020 0.000 3.096 6 V HA 0.395 4.514 4.120 -0.000 0.000 0.319 6 V C 0.091 176.197 176.094 0.019 0.000 1.082 6 V CA -1.211 61.034 62.300 -0.092 0.000 1.022 6 V CB 0.785 32.423 31.823 -0.309 0.000 1.103 6 V HN 0.164 nan 8.190 nan 0.000 0.455 7 L N 2.776 124.043 121.223 0.074 0.000 2.407 7 L HA 0.350 4.690 4.340 -0.000 0.000 0.282 7 L C 1.517 178.502 176.870 0.192 0.000 1.110 7 L CA 0.564 55.480 54.840 0.127 0.000 0.863 7 L CB -0.220 41.961 42.059 0.203 0.000 1.207 7 L HN 0.760 nan 8.230 nan 0.000 0.454 8 E N 1.798 122.044 120.200 0.077 0.000 2.152 8 E HA -0.038 4.311 4.350 -0.000 0.000 0.192 8 E C 0.405 177.041 176.600 0.060 0.000 0.983 8 E CA 0.716 57.170 56.400 0.090 0.000 0.818 8 E CB 0.220 29.937 29.700 0.028 0.000 0.758 8 E HN 0.526 nan 8.360 nan 0.000 0.467 9 N N -0.345 118.218 118.700 -0.228 0.000 2.697 9 N HA 0.089 4.829 4.740 -0.000 0.000 0.271 9 N C -1.061 173.970 175.510 -0.798 0.000 1.149 9 N CA -0.091 52.619 53.050 -0.567 0.000 0.939 9 N CB 0.853 39.205 38.487 -0.225 0.000 1.534 9 N HN -0.132 nan 8.380 nan 0.000 0.556 10 R N 1.471 121.043 120.500 -1.547 0.000 2.727 10 R HA 0.376 4.716 4.340 -0.000 0.000 0.410 10 R C -0.093 175.887 176.300 -0.533 0.000 1.101 10 R CA -0.365 55.249 56.100 -0.810 0.000 1.045 10 R CB 0.899 30.874 30.300 -0.542 0.000 1.380 10 R HN 0.488 nan 8.270 nan 0.000 0.587 11 A N 0.758 123.315 122.820 -0.439 0.000 2.304 11 A HA 0.640 4.960 4.320 -0.000 0.000 0.271 11 A C 0.379 177.892 177.584 -0.119 0.000 1.091 11 A CA -0.377 51.574 52.037 -0.143 0.000 0.812 11 A CB 0.441 19.403 19.000 -0.064 0.000 1.056 11 A HN 0.407 nan 8.150 nan 0.000 0.489 12 A N 0.707 123.488 122.820 -0.066 0.000 2.580 12 A HA 0.199 4.519 4.320 -0.000 0.000 0.244 12 A C 0.909 178.458 177.584 -0.058 0.000 1.045 12 A CA 0.073 52.078 52.037 -0.054 0.000 0.761 12 A CB 0.036 19.015 19.000 -0.036 0.000 0.962 12 A HN 0.769 nan 8.150 nan 0.000 0.512 13 Q N 1.477 121.242 119.800 -0.058 0.000 2.435 13 Q HA 0.102 4.442 4.340 -0.000 0.000 0.207 13 Q C 1.058 177.034 176.000 -0.039 0.000 0.956 13 Q CA 1.181 56.951 55.803 -0.054 0.000 0.917 13 Q CB 0.323 29.028 28.738 -0.056 0.000 0.997 13 Q HN 0.958 nan 8.270 nan 0.000 0.497 14 G N -0.246 108.534 108.800 -0.033 0.000 3.000 14 G HA2 0.119 4.079 3.960 -0.000 0.000 0.170 14 G HA3 0.119 4.079 3.960 -0.000 0.000 0.170 14 G C -1.549 173.337 174.900 -0.023 0.000 1.160 14 G CA -0.444 44.640 45.100 -0.026 0.000 0.945 14 G HN 0.085 nan 8.290 nan 0.000 0.593 15 D N 0.130 120.518 120.400 -0.020 0.000 2.347 15 D HA 0.326 4.966 4.640 -0.000 0.000 0.235 15 D C 1.207 177.497 176.300 -0.018 0.000 1.149 15 D CA -0.605 53.384 54.000 -0.018 0.000 0.850 15 D CB 1.084 41.874 40.800 -0.016 0.000 1.061 15 D HN 0.063 nan 8.370 nan 0.000 0.487 16 I N 2.980 123.539 120.570 -0.018 0.000 2.502 16 I HA -0.231 3.938 4.170 -0.000 0.000 0.258 16 I C 2.244 178.352 176.117 -0.014 0.000 1.172 16 I CA 1.644 62.933 61.300 -0.017 0.000 1.430 16 I CB -0.234 37.755 38.000 -0.018 0.000 1.086 16 I HN 0.657 nan 8.210 nan 0.000 0.440 17 T N -2.684 111.862 114.554 -0.014 0.000 3.081 17 T HA 0.455 4.805 4.350 -0.000 0.000 0.250 17 T C 0.723 175.417 174.700 -0.011 0.000 1.100 17 T CA 0.187 62.280 62.100 -0.012 0.000 1.038 17 T CB -0.168 68.694 68.868 -0.012 0.000 0.962 17 T HN 0.178 nan 8.240 nan 0.000 0.516 18 A N 2.015 124.827 122.820 -0.012 0.000 2.311 18 A HA 0.733 5.053 4.320 -0.000 0.000 0.334 18 A C -2.707 174.870 177.584 -0.012 0.000 1.139 18 A CA -2.243 49.787 52.037 -0.012 0.000 0.830 18 A CB 0.312 19.305 19.000 -0.012 0.000 1.234 18 A HN 0.165 nan 8.150 nan 0.000 0.483 19 P HA 0.184 nan 4.420 nan 0.000 0.256 19 P C 1.008 178.300 177.300 -0.012 0.000 1.173 19 P CA 2.178 65.272 63.100 -0.011 0.000 0.768 19 P CB 0.215 31.910 31.700 -0.009 0.000 0.758 20 G N 3.317 112.109 108.800 -0.013 0.000 2.189 20 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 20 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 20 G C 1.306 176.195 174.900 -0.019 0.000 0.975 20 G CA 0.394 45.484 45.100 -0.016 0.000 0.644 20 G HN 0.706 nan 8.290 nan 0.000 0.537 21 G N 0.467 109.257 108.800 -0.018 0.000 2.432 21 G HA2 0.224 4.183 3.960 -0.000 0.000 0.219 21 G HA3 0.224 4.183 3.960 -0.000 0.000 0.219 21 G C 1.734 176.620 174.900 -0.024 0.000 1.135 21 G CA 2.005 47.093 45.100 -0.021 0.000 0.767 21 G HN 1.616 nan 8.290 nan 0.000 0.550 22 A N -0.040 122.767 122.820 -0.022 0.000 2.238 22 A HA 0.339 4.659 4.320 -0.000 0.000 0.208 22 A C 1.332 178.900 177.584 -0.027 0.000 1.177 22 A CA -0.350 51.673 52.037 -0.023 0.000 0.804 22 A CB -0.077 18.913 19.000 -0.017 0.000 0.823 22 A HN 0.325 nan 8.150 nan 0.000 0.482 23 R N 0.014 120.497 120.500 -0.029 0.000 2.537 23 R HA 0.196 4.536 4.340 -0.000 0.000 0.280 23 R C 0.605 176.876 176.300 -0.048 0.000 1.058 23 R CA 0.003 56.083 56.100 -0.033 0.000 1.057 23 R CB 0.408 30.689 30.300 -0.031 0.000 0.973 23 R HN 0.369 nan 8.270 nan 0.000 0.438 24 R N 1.979 122.447 120.500 -0.054 0.000 2.290 24 R HA 0.181 4.521 4.340 -0.000 0.000 0.197 24 R C 0.174 176.416 176.300 -0.098 0.000 0.913 24 R CA 0.326 56.374 56.100 -0.086 0.000 1.040 24 R CB 0.309 30.560 30.300 -0.082 0.000 0.992 24 R HN 0.379 nan 8.270 nan 0.000 0.500 25 L N 0.380 121.563 121.223 -0.066 0.000 2.331 25 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 25 L C 1.094 177.933 176.870 -0.051 0.000 1.022 25 L CA -0.355 54.450 54.840 -0.059 0.000 0.812 25 L CB 1.985 44.021 42.059 -0.038 0.000 1.257 25 L HN 0.049 nan 8.230 nan 0.000 0.435 26 T N -2.607 111.917 114.554 -0.049 0.000 3.044 26 T HA 0.475 4.824 4.350 -0.000 0.000 0.260 26 T C 0.469 175.151 174.700 -0.029 0.000 1.019 26 T CA 0.151 62.227 62.100 -0.040 0.000 0.921 26 T CB 0.638 69.480 68.868 -0.043 0.000 1.053 26 T HN 0.810 nan 8.240 nan 0.000 0.533 27 G N 0.447 109.231 108.800 -0.026 0.000 2.340 27 G HA2 0.391 4.351 3.960 -0.000 0.000 0.299 27 G HA3 0.391 4.351 3.960 -0.000 0.000 0.299 27 G C -2.177 172.714 174.900 -0.016 0.000 1.291 27 G CA -0.837 44.252 45.100 -0.019 0.000 0.841 27 G HN 0.186 nan 8.290 nan 0.000 0.500 28 D N -0.442 119.951 120.400 -0.011 0.000 2.389 28 D HA 0.389 5.028 4.640 -0.000 0.000 0.247 28 D C 1.148 177.444 176.300 -0.007 0.000 1.128 28 D CA 0.010 54.005 54.000 -0.008 0.000 0.884 28 D CB 0.961 41.758 40.800 -0.006 0.000 1.194 28 D HN 0.196 nan 8.370 nan 0.000 0.441 29 Q N 1.940 121.738 119.800 -0.004 0.000 2.356 29 Q HA 0.016 4.355 4.340 -0.000 0.000 0.205 29 Q C 1.590 177.591 176.000 0.003 0.000 0.901 29 Q CA 0.274 56.077 55.803 -0.000 0.000 0.938 29 Q CB 0.337 29.075 28.738 0.001 0.000 1.081 29 Q HN 0.573 nan 8.270 nan 0.000 0.517 30 T N 1.281 115.836 114.554 0.001 0.000 2.720 30 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 30 T C 1.867 176.568 174.700 0.001 0.000 1.037 30 T CA 1.629 63.729 62.100 0.001 0.000 1.144 30 T CB -0.053 68.815 68.868 -0.000 0.000 0.864 30 T HN 0.398 nan 8.240 nan 0.000 0.444 31 A N 1.166 123.987 122.820 0.001 0.000 1.929 31 A HA 0.348 4.667 4.320 -0.000 0.000 0.216 31 A C 2.617 180.203 177.584 0.004 0.000 1.176 31 A CA 1.484 53.522 52.037 0.001 0.000 0.628 31 A CB -0.916 18.084 19.000 -0.000 0.000 0.816 31 A HN 0.503 nan 8.150 nan 0.000 0.444 32 A N -0.690 122.135 122.820 0.008 0.000 1.929 32 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 32 A C 2.030 179.625 177.584 0.020 0.000 1.176 32 A CA 1.420 53.467 52.037 0.016 0.000 0.628 32 A CB -0.466 18.545 19.000 0.018 0.000 0.816 32 A HN 0.388 nan 8.150 nan 0.000 0.444 33 L N -0.375 120.857 121.223 0.015 0.000 2.046 33 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 33 L C 2.665 179.536 176.870 0.002 0.000 1.077 33 L CA 1.578 56.426 54.840 0.013 0.000 0.747 33 L CB -0.442 41.623 42.059 0.010 0.000 0.896 33 L HN 0.311 nan 8.230 nan 0.000 0.432 34 R N -0.356 120.143 120.500 -0.001 0.000 2.083 34 R HA -0.183 4.156 4.340 -0.000 0.000 0.237 34 R C 1.617 177.910 176.300 -0.012 0.000 1.137 34 R CA 1.647 57.742 56.100 -0.009 0.000 0.951 34 R CB -0.577 29.718 30.300 -0.008 0.000 0.851 34 R HN 0.382 nan 8.270 nan 0.000 0.434 35 D N -0.217 120.180 120.400 -0.004 0.000 2.378 35 D HA -0.050 4.589 4.640 -0.000 0.000 0.222 35 D C 1.169 177.463 176.300 -0.010 0.000 0.980 35 D CA 0.892 54.889 54.000 -0.005 0.000 0.907 35 D CB 0.079 40.884 40.800 0.008 0.000 0.899 35 D HN 0.069 nan 8.370 nan 0.000 0.527 36 S N -0.423 115.272 115.700 -0.009 0.000 2.548 36 S HA 0.152 4.622 4.470 -0.000 0.000 0.215 36 S C 0.885 175.447 174.600 -0.064 0.000 0.976 36 S CA -0.178 58.007 58.200 -0.025 0.000 0.908 36 S CB 0.563 63.772 63.200 0.016 0.000 0.781 36 S HN 0.189 nan 8.310 nan 0.000 0.519 37 L N 2.092 123.281 121.223 -0.057 0.000 2.259 37 L HA 0.475 4.815 4.340 -0.000 0.000 0.288 37 L C -0.009 176.806 176.870 -0.092 0.000 1.051 37 L CA -0.260 54.535 54.840 -0.074 0.000 0.824 37 L CB 1.177 43.203 42.059 -0.055 0.000 1.206 37 L HN -0.004 nan 8.230 nan 0.000 0.429 38 S N 0.960 116.584 115.700 -0.127 0.000 2.614 38 S HA 0.323 4.793 4.470 -0.000 0.000 0.288 38 S C -0.055 174.410 174.600 -0.225 0.000 1.137 38 S CA -0.818 57.300 58.200 -0.138 0.000 0.992 38 S CB 1.192 64.320 63.200 -0.120 0.000 1.026 38 S HN 0.695 nan 8.310 nan 0.000 0.486 39 D N 2.717 122.977 120.400 -0.233 0.000 2.340 39 D HA 0.089 4.729 4.640 -0.000 0.000 0.217 39 D C 0.582 176.762 176.300 -0.199 0.000 1.081 39 D CA -0.231 53.530 54.000 -0.398 0.000 0.842 39 D CB -0.114 40.540 40.800 -0.242 0.000 0.934 39 D HN 0.655 nan 8.370 nan 0.000 0.511 40 K N 0.454 120.815 120.400 -0.066 0.000 2.440 40 K HA 0.184 4.503 4.320 -0.000 0.000 0.270 40 K C -2.394 174.308 176.600 0.172 0.000 0.980 40 K CA -1.250 55.059 56.287 0.036 0.000 0.953 40 K CB -0.123 32.376 32.500 -0.002 0.000 0.925 40 K HN -0.177 nan 8.250 nan 0.000 0.497 41 P HA -0.059 nan 4.420 nan 0.000 0.266 41 P C -1.181 176.130 177.300 0.017 0.000 1.193 41 P CA 0.101 63.237 63.100 0.060 0.000 0.770 41 P CB 0.769 32.475 31.700 0.009 0.000 0.836 42 A N 2.772 125.558 122.820 -0.056 0.000 2.305 42 A HA 0.292 4.612 4.320 -0.000 0.000 0.322 42 A C 1.129 178.662 177.584 -0.085 0.000 1.187 42 A CA -0.429 51.569 52.037 -0.065 0.000 0.825 42 A CB 0.630 19.578 19.000 -0.088 0.000 1.164 42 A HN 0.519 nan 8.150 nan 0.000 0.498 43 K N 0.771 121.117 120.400 -0.090 0.000 2.166 43 K HA 0.034 4.354 4.320 -0.000 0.000 0.201 43 K C -0.227 176.270 176.600 -0.172 0.000 1.052 43 K CA 0.781 57.009 56.287 -0.098 0.000 0.969 43 K CB 0.049 32.502 32.500 -0.079 0.000 0.761 43 K HN 0.821 nan 8.250 nan 0.000 0.459 44 N N -0.123 118.423 118.700 -0.258 0.000 2.284 44 N HA 0.372 5.112 4.740 -0.000 0.000 0.289 44 N C -1.113 174.216 175.510 -0.301 0.000 1.179 44 N CA -0.500 52.234 53.050 -0.527 0.000 0.774 44 N CB 2.318 40.174 38.487 -1.052 0.000 1.548 44 N HN -0.075 nan 8.380 nan 0.000 0.473 45 I N 1.433 121.867 120.570 -0.227 0.000 2.619 45 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 45 I C -0.794 175.271 176.117 -0.086 0.000 1.100 45 I CA -0.617 60.650 61.300 -0.055 0.000 1.043 45 I CB 2.317 40.394 38.000 0.129 0.000 1.239 45 I HN 0.286 nan 8.210 nan 0.000 0.420 46 I N 6.656 127.198 120.570 -0.046 0.000 2.410 46 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 46 I C -1.060 174.995 176.117 -0.103 0.000 1.009 46 I CA -0.712 60.546 61.300 -0.070 0.000 1.111 46 I CB 2.077 40.102 38.000 0.042 0.000 1.262 46 I HN 0.273 nan 8.210 nan 0.000 0.443 47 L N 8.172 129.280 121.223 -0.192 0.000 2.295 47 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 47 L C -1.043 175.716 176.870 -0.185 0.000 1.018 47 L CA -0.273 54.465 54.840 -0.169 0.000 0.841 47 L CB 0.804 42.776 42.059 -0.145 0.000 1.218 47 L HN 0.381 nan 8.230 nan 0.000 0.424 48 L N 6.388 127.510 121.223 -0.169 0.000 2.264 48 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 48 L C -0.312 176.435 176.870 -0.204 0.000 1.044 48 L CA -0.324 54.418 54.840 -0.163 0.000 0.807 48 L CB 1.385 43.360 42.059 -0.141 0.000 1.192 48 L HN 0.489 nan 8.230 nan 0.000 0.425 49 I N 2.755 123.211 120.570 -0.191 0.000 2.389 49 I HA 0.322 4.491 4.170 -0.000 0.000 0.288 49 I C 0.762 176.795 176.117 -0.141 0.000 0.999 49 I CA -0.318 60.858 61.300 -0.208 0.000 1.129 49 I CB 1.731 39.600 38.000 -0.218 0.000 1.288 49 I HN 0.573 nan 8.210 nan 0.000 0.444 50 G N 5.066 113.776 108.800 -0.149 0.000 2.391 50 G HA2 0.102 4.062 3.960 -0.000 0.000 0.305 50 G HA3 0.102 4.062 3.960 -0.000 0.000 0.305 50 G C -0.108 174.722 174.900 -0.117 0.000 1.072 50 G CA -0.313 44.710 45.100 -0.128 0.000 1.016 50 G HN 0.605 nan 8.290 nan 0.000 0.418 51 D N 2.099 122.450 120.400 -0.081 0.000 2.358 51 D HA 0.315 4.955 4.640 -0.000 0.000 0.258 51 D C 1.405 177.638 176.300 -0.112 0.000 1.223 51 D CA 1.374 55.315 54.000 -0.097 0.000 0.886 51 D CB 0.804 41.601 40.800 -0.005 0.000 1.120 51 D HN 0.747 nan 8.370 nan 0.000 0.482 52 G N 4.174 112.804 108.800 -0.284 0.000 2.157 52 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 52 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 52 G C 0.690 175.578 174.900 -0.020 0.000 0.979 52 G CA 0.292 45.323 45.100 -0.115 0.000 0.650 52 G HN 0.573 nan 8.290 nan 0.000 0.529 53 M N 2.348 121.899 119.600 -0.082 0.000 3.436 53 M HA 0.456 4.935 4.480 -0.000 0.000 0.240 53 M C 1.186 177.471 176.300 -0.025 0.000 1.469 53 M CA 0.555 55.824 55.300 -0.051 0.000 1.622 53 M CB -0.735 31.812 32.600 -0.088 0.000 1.098 53 M HN 0.302 nan 8.290 nan 0.000 0.568 54 G N 1.256 110.071 108.800 0.024 0.000 2.611 54 G HA2 0.036 3.996 3.960 -0.000 0.000 0.273 54 G HA3 0.036 3.996 3.960 -0.000 0.000 0.273 54 G C 0.339 175.269 174.900 0.050 0.000 1.305 54 G CA -0.419 44.715 45.100 0.056 0.000 1.010 54 G HN 0.644 nan 8.290 nan 0.000 0.509 55 D N -0.771 119.668 120.400 0.064 0.000 2.178 55 D HA -0.141 4.498 4.640 -0.000 0.000 0.201 55 D C 2.489 178.823 176.300 0.056 0.000 0.980 55 D CA 1.488 55.523 54.000 0.058 0.000 0.842 55 D CB 0.081 40.919 40.800 0.063 0.000 0.948 55 D HN 0.275 nan 8.370 nan 0.000 0.472 56 S N 0.424 116.157 115.700 0.054 0.000 2.368 56 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 56 S C 1.740 176.362 174.600 0.037 0.000 1.030 56 S CA 1.218 59.442 58.200 0.039 0.000 0.999 56 S CB 0.086 63.303 63.200 0.029 0.000 0.844 56 S HN 0.083 nan 8.310 nan 0.000 0.459 57 E N 1.153 121.375 120.200 0.037 0.000 2.106 57 E HA 0.008 4.357 4.350 -0.000 0.000 0.192 57 E C 1.899 178.535 176.600 0.061 0.000 0.984 57 E CA 0.984 57.403 56.400 0.032 0.000 0.806 57 E CB -0.282 29.425 29.700 0.013 0.000 0.750 57 E HN 0.576 nan 8.360 nan 0.000 0.458 58 I N 0.525 121.137 120.570 0.069 0.000 2.142 58 I HA -0.282 3.887 4.170 -0.000 0.000 0.240 58 I C 2.026 178.249 176.117 0.176 0.000 1.078 58 I CA 1.519 62.897 61.300 0.131 0.000 1.343 58 I CB -0.688 37.372 38.000 0.100 0.000 1.046 58 I HN 0.127 nan 8.210 nan 0.000 0.405 59 T N 1.077 115.697 114.554 0.109 0.000 2.684 59 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 59 T C 2.082 176.835 174.700 0.088 0.000 1.036 59 T CA 1.538 63.689 62.100 0.085 0.000 1.148 59 T CB -0.462 68.441 68.868 0.058 0.000 0.863 59 T HN 0.489 nan 8.240 nan 0.000 0.436 60 A N 1.537 124.411 122.820 0.089 0.000 1.883 60 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 60 A C 2.663 180.342 177.584 0.158 0.000 1.186 60 A CA 1.947 54.043 52.037 0.097 0.000 0.624 60 A CB -1.141 17.895 19.000 0.061 0.000 0.822 60 A HN 0.538 nan 8.150 nan 0.000 0.444 61 A N -0.816 122.119 122.820 0.192 0.000 1.929 61 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 61 A C 2.253 180.009 177.584 0.286 0.000 1.176 61 A CA 1.485 53.698 52.037 0.294 0.000 0.628 61 A CB -0.443 18.745 19.000 0.313 0.000 0.816 61 A HN 0.534 nan 8.150 nan 0.000 0.444 62 R N -0.143 120.425 120.500 0.114 0.000 2.062 62 R HA -0.149 4.190 4.340 -0.000 0.000 0.231 62 R C 1.818 178.041 176.300 -0.127 0.000 1.136 62 R CA 1.653 57.554 56.100 -0.330 0.000 0.948 62 R CB -0.343 29.797 30.300 -0.266 0.000 0.845 62 R HN 0.502 nan 8.270 nan 0.000 0.430 63 N N 0.063 118.765 118.700 0.002 0.000 2.061 63 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 63 N C 1.529 177.073 175.510 0.057 0.000 1.030 63 N CA 1.577 54.642 53.050 0.025 0.000 0.856 63 N CB -0.648 37.876 38.487 0.063 0.000 1.023 63 N HN 0.338 nan 8.380 nan 0.000 0.424 64 Y N 0.819 121.142 120.300 0.037 0.000 2.153 64 Y HA 0.042 4.591 4.550 -0.000 0.000 0.289 64 Y C 2.280 178.233 175.900 0.087 0.000 1.127 64 Y CA 1.764 59.911 58.100 0.078 0.000 1.131 64 Y CB -0.378 38.170 38.460 0.147 0.000 0.995 64 Y HN 0.067 nan 8.280 nan 0.000 0.505 65 A N -0.431 122.555 122.820 0.278 0.000 1.935 65 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 65 A C 1.791 179.380 177.584 0.008 0.000 1.178 65 A CA 1.574 53.752 52.037 0.236 0.000 0.640 65 A CB -0.202 19.049 19.000 0.418 0.000 0.825 65 A HN 0.471 nan 8.150 nan 0.000 0.447 66 E N -1.208 118.915 120.200 -0.128 0.000 2.490 66 E HA 0.331 4.681 4.350 -0.000 0.000 0.209 66 E C 0.799 177.329 176.600 -0.118 0.000 0.971 66 E CA 0.668 56.972 56.400 -0.160 0.000 0.988 66 E CB 0.424 29.925 29.700 -0.333 0.000 1.029 66 E HN 0.709 nan 8.360 nan 0.000 0.496 67 G N 0.999 109.734 108.800 -0.108 0.000 2.730 67 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 67 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 67 G C 0.784 175.642 174.900 -0.069 0.000 1.343 67 G CA -0.156 44.896 45.100 -0.080 0.000 0.826 67 G HN 0.210 nan 8.290 nan 0.000 0.582 68 A N -0.040 122.754 122.820 -0.043 0.000 1.972 68 A HA 0.308 4.627 4.320 -0.000 0.000 0.219 68 A C 2.594 180.161 177.584 -0.028 0.000 1.169 68 A CA 2.527 54.547 52.037 -0.029 0.000 0.635 68 A CB -0.495 18.496 19.000 -0.015 0.000 0.810 68 A HN 2.366 nan 8.150 nan 0.000 0.446 69 G N -0.931 107.851 108.800 -0.030 0.000 3.141 69 G HA2 0.412 4.372 3.960 -0.000 0.000 0.218 69 G HA3 0.412 4.372 3.960 -0.000 0.000 0.218 69 G C 0.732 175.620 174.900 -0.021 0.000 1.170 69 G CA 0.588 45.673 45.100 -0.024 0.000 0.769 69 G HN 0.710 nan 8.290 nan 0.000 0.546 70 G N -0.377 108.402 108.800 -0.035 0.000 2.516 70 G HA2 0.466 4.425 3.960 -0.000 0.000 0.276 70 G HA3 0.466 4.425 3.960 -0.000 0.000 0.276 70 G C -1.090 173.845 174.900 0.057 0.000 1.390 70 G CA -0.632 44.455 45.100 -0.022 0.000 1.050 70 G HN 0.255 nan 8.290 nan 0.000 0.519 71 F N -1.390 118.464 119.950 -0.160 0.000 2.604 71 F HA 0.566 5.093 4.527 -0.000 0.000 0.316 71 F C -1.819 173.936 175.800 -0.076 0.000 1.136 71 F CA -1.928 56.011 58.000 -0.102 0.000 0.989 71 F CB 1.464 40.445 39.000 -0.033 0.000 1.258 71 F HN 0.257 nan 8.300 nan 0.000 0.451 72 F N 5.966 125.704 119.950 -0.353 0.000 2.438 72 F HA 0.340 4.867 4.527 -0.000 0.000 0.360 72 F C 1.378 176.648 175.800 -0.883 0.000 1.118 72 F CA -0.372 57.368 58.000 -0.432 0.000 1.164 72 F CB 1.297 40.134 39.000 -0.272 0.000 1.131 72 F HN 0.566 nan 8.300 nan 0.000 0.527 73 K N 1.923 122.082 120.400 -0.401 0.000 2.218 73 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 73 K C 1.970 178.378 176.600 -0.319 0.000 1.046 73 K CA 1.442 57.478 56.287 -0.418 0.000 0.933 73 K CB -0.161 32.276 32.500 -0.105 0.000 0.728 73 K HN 0.841 nan 8.250 nan 0.000 0.454 74 G N -0.098 108.555 108.800 -0.244 0.000 2.724 74 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.217 74 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.217 74 G C 1.380 176.150 174.900 -0.217 0.000 1.251 74 G CA -0.016 44.959 45.100 -0.208 0.000 0.867 74 G HN 0.098 nan 8.290 nan 0.000 0.590 75 I N 1.492 121.919 120.570 -0.239 0.000 2.248 75 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 75 I C 1.496 177.554 176.117 -0.098 0.000 1.107 75 I CA 1.301 62.489 61.300 -0.186 0.000 1.373 75 I CB -0.019 37.816 38.000 -0.274 0.000 1.055 75 I HN 0.099 nan 8.210 nan 0.000 0.418 76 D N 0.407 120.729 120.400 -0.131 0.000 2.339 76 D HA 0.132 4.771 4.640 -0.000 0.000 0.217 76 D C 1.758 178.096 176.300 0.064 0.000 1.050 76 D CA 0.465 54.450 54.000 -0.024 0.000 0.856 76 D CB 0.417 41.236 40.800 0.032 0.000 0.922 76 D HN 0.275 nan 8.370 nan 0.000 0.518 77 A N 0.164 122.934 122.820 -0.083 0.000 2.251 77 A HA 0.139 4.458 4.320 -0.000 0.000 0.209 77 A C 0.720 178.344 177.584 0.066 0.000 1.187 77 A CA -0.049 52.043 52.037 0.091 0.000 0.823 77 A CB -0.137 18.849 19.000 -0.022 0.000 0.846 77 A HN 0.067 nan 8.150 nan 0.000 0.486 78 L N 0.976 122.225 121.223 0.043 0.000 2.290 78 L HA 0.278 4.618 4.340 -0.000 0.000 0.284 78 L C -1.041 175.888 176.870 0.098 0.000 1.078 78 L CA -1.318 53.561 54.840 0.065 0.000 0.815 78 L CB 1.121 43.208 42.059 0.047 0.000 1.162 78 L HN 0.086 nan 8.230 nan 0.000 0.435 79 P HA -0.061 nan 4.420 nan 0.000 0.220 79 P C 0.073 177.420 177.300 0.078 0.000 1.152 79 P CA 0.811 63.977 63.100 0.110 0.000 0.812 79 P CB 0.548 32.330 31.700 0.137 0.000 0.792 80 L N 1.112 122.378 121.223 0.071 0.000 2.282 80 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 80 L C 0.535 177.421 176.870 0.027 0.000 1.033 80 L CA -0.084 54.780 54.840 0.040 0.000 0.807 80 L CB 0.883 42.958 42.059 0.028 0.000 1.209 80 L HN 0.004 nan 8.230 nan 0.000 0.423 81 T N -0.212 114.354 114.554 0.020 0.000 2.912 81 T HA 0.933 5.283 4.350 -0.000 0.000 0.299 81 T C -0.119 174.586 174.700 0.008 0.000 1.052 81 T CA -0.628 61.477 62.100 0.008 0.000 0.996 81 T CB 2.534 71.414 68.868 0.020 0.000 1.070 81 T HN 0.773 nan 8.240 nan 0.000 0.465 82 G N 0.655 109.451 108.800 -0.005 0.000 2.782 82 G HA2 0.623 4.583 3.960 -0.000 0.000 0.304 82 G HA3 0.623 4.583 3.960 -0.000 0.000 0.304 82 G C -2.118 172.793 174.900 0.018 0.000 1.315 82 G CA -0.941 44.169 45.100 0.016 0.000 0.791 82 G HN 0.715 nan 8.290 nan 0.000 0.519 83 Q N -0.388 119.451 119.800 0.064 0.000 2.323 83 Q HA 0.594 4.934 4.340 -0.000 0.000 0.271 83 Q C -1.309 174.822 176.000 0.219 0.000 1.048 83 Q CA -0.793 55.077 55.803 0.111 0.000 0.792 83 Q CB 2.458 31.263 28.738 0.113 0.000 1.280 83 Q HN 0.703 nan 8.270 nan 0.000 0.441 84 Y N -1.370 118.993 120.300 0.104 0.000 2.602 84 Y HA 0.871 5.421 4.550 -0.000 0.000 0.342 84 Y C -0.555 175.422 175.900 0.127 0.000 1.029 84 Y CA -1.916 56.253 58.100 0.116 0.000 1.080 84 Y CB 0.458 38.991 38.460 0.123 0.000 1.284 84 Y HN 0.551 nan 8.280 nan 0.000 0.485 85 T N -0.297 114.327 114.554 0.117 0.000 2.902 85 T HA 0.511 4.861 4.350 -0.000 0.000 0.283 85 T C -0.656 173.903 174.700 -0.236 0.000 1.009 85 T CA -0.286 61.780 62.100 -0.056 0.000 1.051 85 T CB 0.888 69.830 68.868 0.123 0.000 0.999 85 T HN 1.004 nan 8.240 nan 0.000 0.474 86 H N -0.804 118.237 119.070 -0.048 0.000 2.904 86 H HA 0.294 4.849 4.556 -0.001 0.000 0.242 86 H C -0.399 174.881 175.328 -0.080 0.000 1.193 86 H CA -1.227 54.719 56.048 -0.170 0.000 0.946 86 H CB -1.433 28.267 29.762 -0.102 0.000 2.135 86 H HN 0.721 nan 8.280 nan 0.000 0.652 87 Y N 0.611 120.874 120.300 -0.062 0.000 2.578 87 Y HA 0.566 5.116 4.550 -0.000 0.000 0.339 87 Y C 0.415 176.302 175.900 -0.022 0.000 1.231 87 Y CA -0.716 57.377 58.100 -0.012 0.000 1.461 87 Y CB 0.409 38.849 38.460 -0.033 0.000 1.323 87 Y HN 0.341 nan 8.280 nan 0.000 0.590 88 A N 4.061 126.915 122.820 0.058 0.000 2.517 88 A HA 0.832 5.152 4.320 -0.000 0.000 0.280 88 A C -0.846 176.755 177.584 0.029 0.000 1.353 88 A CA -1.070 50.951 52.037 -0.026 0.000 0.907 88 A CB 0.516 19.512 19.000 -0.006 0.000 1.495 88 A HN 0.832 nan 8.150 nan 0.000 0.506 89 L N 0.074 121.301 121.223 0.007 0.000 2.333 89 L HA 0.397 4.736 4.340 -0.000 0.000 0.263 89 L C -0.063 176.825 176.870 0.030 0.000 1.014 89 L CA -0.829 54.022 54.840 0.018 0.000 0.820 89 L CB 1.754 43.823 42.059 0.016 0.000 1.352 89 L HN 0.786 nan 8.230 nan 0.000 0.421 90 N N 1.646 120.344 118.700 -0.003 0.000 2.444 90 N HA 0.064 4.804 4.740 -0.000 0.000 0.271 90 N C 0.409 175.910 175.510 -0.015 0.000 1.069 90 N CA -0.084 52.963 53.050 -0.005 0.000 0.965 90 N CB 1.591 40.059 38.487 -0.032 0.000 1.092 90 N HN 0.651 nan 8.380 nan 0.000 0.476 91 K N 3.223 123.598 120.400 -0.042 0.000 2.097 91 K HA -0.081 4.238 4.320 -0.000 0.000 0.206 91 K C 1.174 177.687 176.600 -0.146 0.000 1.049 91 K CA 1.070 57.256 56.287 -0.169 0.000 0.933 91 K CB 0.284 32.502 32.500 -0.469 0.000 0.717 91 K HN 0.511 nan 8.250 nan 0.000 0.442 92 K N -0.456 119.883 120.400 -0.103 0.000 2.044 92 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 92 K C 2.170 178.746 176.600 -0.040 0.000 1.049 92 K CA 1.796 58.041 56.287 -0.070 0.000 0.945 92 K CB -0.176 32.291 32.500 -0.056 0.000 0.724 92 K HN 0.340 nan 8.250 nan 0.000 0.440 93 T N -3.175 111.359 114.554 -0.034 0.000 3.040 93 T HA 0.181 4.531 4.350 -0.000 0.000 0.252 93 T C 1.459 176.150 174.700 -0.015 0.000 1.064 93 T CA 0.769 62.858 62.100 -0.018 0.000 1.110 93 T CB 0.340 69.199 68.868 -0.016 0.000 0.921 93 T HN 0.334 nan 8.240 nan 0.000 0.480 94 G N 1.565 110.349 108.800 -0.026 0.000 2.143 94 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.249 94 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.249 94 G C -0.010 174.884 174.900 -0.010 0.000 0.981 94 G CA 0.301 45.389 45.100 -0.021 0.000 0.665 94 G HN 0.675 nan 8.290 nan 0.000 0.528 95 K N 0.557 120.943 120.400 -0.023 0.000 2.090 95 K HA 0.466 4.785 4.320 -0.000 0.000 0.250 95 K C -2.375 174.175 176.600 -0.083 0.000 1.004 95 K CA -1.999 54.264 56.287 -0.041 0.000 0.919 95 K CB 0.773 33.248 32.500 -0.041 0.000 1.045 95 K HN -0.031 nan 8.250 nan 0.000 0.471 96 P HA -0.066 nan 4.420 nan 0.000 0.265 96 P C -1.131 175.837 177.300 -0.555 0.000 1.193 96 P CA 0.294 63.207 63.100 -0.312 0.000 0.765 96 P CB 0.425 31.801 31.700 -0.540 0.000 0.823 97 D N 2.455 122.649 120.400 -0.343 0.000 2.453 97 D HA 0.114 4.753 4.640 -0.000 0.000 0.238 97 D C 0.318 176.484 176.300 -0.222 0.000 1.088 97 D CA -0.513 53.317 54.000 -0.283 0.000 0.854 97 D CB 0.469 41.222 40.800 -0.079 0.000 1.076 97 D HN 0.243 nan 8.370 nan 0.000 0.533 98 Y N 1.592 121.944 120.300 0.086 0.000 2.384 98 Y HA -0.043 4.507 4.550 -0.000 0.000 0.289 98 Y C 1.003 176.978 175.900 0.126 0.000 1.152 98 Y CA 0.504 58.659 58.100 0.091 0.000 1.258 98 Y CB 0.130 38.611 38.460 0.035 0.000 0.979 98 Y HN 0.144 nan 8.280 nan 0.000 0.549 99 V N 0.037 120.073 119.914 0.204 0.000 2.443 99 V HA 0.255 4.374 4.120 -0.000 0.000 0.293 99 V C 0.138 176.313 176.094 0.135 0.000 1.021 99 V CA -1.057 61.356 62.300 0.189 0.000 0.848 99 V CB 1.581 33.483 31.823 0.132 0.000 0.998 99 V HN 0.025 nan 8.190 nan 0.000 0.424 100 T N 3.133 117.796 114.554 0.182 0.000 2.918 100 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 100 T C -0.262 174.520 174.700 0.137 0.000 1.001 100 T CA -0.515 61.663 62.100 0.131 0.000 1.041 100 T CB 1.103 70.066 68.868 0.157 0.000 1.028 100 T HN 0.939 nan 8.240 nan 0.000 0.511 101 D N 1.140 121.602 120.400 0.102 0.000 2.529 101 D HA 0.284 4.924 4.640 -0.000 0.000 0.273 101 D C 0.901 177.334 176.300 0.223 0.000 1.197 101 D CA -0.560 53.546 54.000 0.177 0.000 1.070 101 D CB 0.568 41.401 40.800 0.055 0.000 1.134 101 D HN 0.393 nan 8.370 nan 0.000 0.590 102 S N -1.217 114.646 115.700 0.271 0.000 2.481 102 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 102 S C 1.561 176.180 174.600 0.032 0.000 0.996 102 S CA 0.737 59.058 58.200 0.201 0.000 0.942 102 S CB -0.218 63.117 63.200 0.226 0.000 0.768 102 S HN 0.597 nan 8.310 nan 0.000 0.520 103 A N 0.983 123.792 122.820 -0.018 0.000 1.924 103 A HA 0.501 4.821 4.320 -0.000 0.000 0.211 103 A C 2.225 179.680 177.584 -0.215 0.000 1.198 103 A CA 0.947 52.910 52.037 -0.123 0.000 0.657 103 A CB -0.839 18.093 19.000 -0.113 0.000 0.852 103 A HN 0.447 nan 8.150 nan 0.000 0.454 104 A N 0.622 123.331 122.820 -0.186 0.000 1.930 104 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 104 A C 2.454 179.895 177.584 -0.238 0.000 1.175 104 A CA 2.153 54.052 52.037 -0.230 0.000 0.627 104 A CB -0.825 18.068 19.000 -0.179 0.000 0.815 104 A HN 0.808 nan 8.150 nan 0.000 0.443 105 S N 0.378 115.972 115.700 -0.177 0.000 2.368 105 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 105 S C 2.137 176.402 174.600 -0.559 0.000 1.029 105 S CA 1.155 59.246 58.200 -0.182 0.000 0.988 105 S CB -0.733 62.484 63.200 0.028 0.000 0.838 105 S HN 0.826 nan 8.310 nan 0.000 0.462 106 A N 1.960 124.306 122.820 -0.790 0.000 1.902 106 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 106 A C 2.410 179.310 177.584 -1.140 0.000 1.181 106 A CA 2.075 53.195 52.037 -1.528 0.000 0.623 106 A CB -1.715 16.815 19.000 -0.783 0.000 0.818 106 A HN 0.533 nan 8.150 nan 0.000 0.443 107 T N 0.402 114.580 114.554 -0.627 0.000 2.720 107 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 107 T C 2.210 176.646 174.700 -0.440 0.000 1.037 107 T CA 1.707 63.532 62.100 -0.459 0.000 1.144 107 T CB -0.518 68.145 68.868 -0.342 0.000 0.864 107 T HN 0.631 nan 8.240 nan 0.000 0.444 108 A N 1.566 124.148 122.820 -0.398 0.000 1.873 108 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 108 A C 2.158 179.659 177.584 -0.138 0.000 1.193 108 A CA 2.123 54.004 52.037 -0.261 0.000 0.629 108 A CB -1.217 17.664 19.000 -0.199 0.000 0.826 108 A HN 0.873 nan 8.150 nan 0.000 0.447 109 W N 0.981 122.263 121.300 -0.029 0.000 2.584 109 W HA 0.059 4.719 4.660 -0.000 0.000 0.264 109 W C 1.691 178.272 176.519 0.103 0.000 1.264 109 W CA 1.272 58.663 57.345 0.076 0.000 1.306 109 W CB -0.941 28.598 29.460 0.132 0.000 1.110 109 W HN 0.345 nan 8.180 nan 0.000 0.606 110 S N -2.043 113.565 115.700 -0.153 0.000 2.535 110 S HA 0.153 4.622 4.470 -0.000 0.000 0.214 110 S C 1.368 175.886 174.600 -0.135 0.000 0.980 110 S CA 0.786 59.005 58.200 0.033 0.000 0.907 110 S CB -0.083 63.050 63.200 -0.111 0.000 0.790 110 S HN 0.229 nan 8.310 nan 0.000 0.510 111 T N 0.075 114.331 114.554 -0.496 0.000 2.954 111 T HA 0.459 4.809 4.350 -0.000 0.000 0.252 111 T C 1.177 174.977 174.700 -1.501 0.000 0.983 111 T CA 0.686 62.289 62.100 -0.828 0.000 0.941 111 T CB 0.078 68.708 68.868 -0.396 0.000 1.141 111 T HN 0.772 nan 8.240 nan 0.000 0.500 112 G N 1.303 109.468 108.800 -1.059 0.000 2.143 112 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.249 112 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.249 112 G C 0.078 174.823 174.900 -0.258 0.000 0.981 112 G CA 0.389 45.117 45.100 -0.619 0.000 0.665 112 G HN 0.729 nan 8.290 nan 0.000 0.528 113 V N 0.072 119.775 119.914 -0.350 0.000 2.876 113 V HA 0.707 4.827 4.120 -0.000 0.000 0.312 113 V C -0.076 175.867 176.094 -0.251 0.000 1.085 113 V CA -1.271 60.858 62.300 -0.285 0.000 0.945 113 V CB 1.774 33.321 31.823 -0.460 0.000 1.017 113 V HN 0.189 nan 8.190 nan 0.000 0.428 114 K N 2.476 122.758 120.400 -0.197 0.000 2.168 114 K HA 0.537 4.857 4.320 -0.000 0.000 0.258 114 K C -0.166 176.333 176.600 -0.167 0.000 1.010 114 K CA -0.036 56.134 56.287 -0.196 0.000 0.929 114 K CB 1.525 33.920 32.500 -0.174 0.000 0.998 114 K HN 0.871 nan 8.250 nan 0.000 0.479 115 T N -0.125 114.331 114.554 -0.162 0.000 2.645 115 T HA 0.420 4.770 4.350 -0.000 0.000 0.300 115 T C -1.630 173.009 174.700 -0.101 0.000 1.210 115 T CA -0.714 61.307 62.100 -0.132 0.000 1.034 115 T CB 0.345 69.070 68.868 -0.237 0.000 1.537 115 T HN 0.435 nan 8.240 nan 0.000 0.492 116 Y N 0.755 121.004 120.300 -0.085 0.000 2.376 116 Y HA 0.702 5.251 4.550 -0.000 0.000 0.325 116 Y C 0.332 176.200 175.900 -0.053 0.000 1.199 116 Y CA -1.399 56.661 58.100 -0.066 0.000 1.206 116 Y CB 0.134 38.556 38.460 -0.062 0.000 1.229 116 Y HN 0.341 nan 8.280 nan 0.000 0.480 117 N N 1.580 120.285 118.700 0.008 0.000 2.365 117 N HA 0.257 4.997 4.740 -0.000 0.000 0.265 117 N C 1.009 176.483 175.510 -0.060 0.000 1.288 117 N CA 1.534 54.561 53.050 -0.038 0.000 0.869 117 N CB 0.777 39.276 38.487 0.020 0.000 1.071 117 N HN 1.118 nan 8.380 nan 0.000 0.480 118 G N 0.209 108.925 108.800 -0.141 0.000 2.238 118 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 118 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 118 G C 0.195 174.962 174.900 -0.221 0.000 0.996 118 G CA 0.068 45.109 45.100 -0.098 0.000 0.632 118 G HN 0.881 nan 8.290 nan 0.000 0.503 119 A N 0.397 122.879 122.820 -0.563 0.000 2.371 119 A HA 0.767 5.087 4.320 -0.000 0.000 0.257 119 A C 0.025 177.419 177.584 -0.317 0.000 1.089 119 A CA 0.205 51.901 52.037 -0.568 0.000 0.794 119 A CB 0.473 18.854 19.000 -1.033 0.000 1.029 119 A HN 0.904 nan 8.150 nan 0.000 0.488 120 L N 1.863 122.964 121.223 -0.203 0.000 2.406 120 L HA 0.539 4.879 4.340 -0.000 0.000 0.270 120 L C 0.986 177.761 176.870 -0.158 0.000 0.982 120 L CA 0.143 54.870 54.840 -0.189 0.000 0.843 120 L CB 1.666 43.633 42.059 -0.153 0.000 1.225 120 L HN 1.242 nan 8.230 nan 0.000 0.412 121 G N 2.827 111.521 108.800 -0.176 0.000 2.160 121 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.251 121 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.251 121 G C -0.189 174.805 174.900 0.157 0.000 1.008 121 G CA 0.318 45.364 45.100 -0.090 0.000 0.724 121 G HN 0.696 nan 8.290 nan 0.000 0.514 122 V N -2.816 117.135 119.914 0.061 0.000 3.007 122 V HA 0.876 4.996 4.120 -0.000 0.000 0.311 122 V C -0.019 176.130 176.094 0.093 0.000 1.120 122 V CA -0.607 61.773 62.300 0.133 0.000 0.980 122 V CB 2.154 34.049 31.823 0.119 0.000 1.033 122 V HN 0.422 nan 8.190 nan 0.000 0.429 123 D N 2.103 122.615 120.400 0.188 0.000 2.506 123 D HA 0.292 4.932 4.640 -0.000 0.000 0.272 123 D C 1.365 177.745 176.300 0.132 0.000 1.214 123 D CA -0.340 53.718 54.000 0.097 0.000 1.067 123 D CB 0.713 41.600 40.800 0.145 0.000 1.117 123 D HN 0.843 nan 8.370 nan 0.000 0.578 124 I N -2.948 117.636 120.570 0.024 0.000 2.800 124 I HA -0.155 4.015 4.170 -0.000 0.000 0.266 124 I C 0.635 176.635 176.117 -0.195 0.000 1.249 124 I CA 1.006 62.290 61.300 -0.026 0.000 1.458 124 I CB -0.563 37.320 38.000 -0.195 0.000 1.093 124 I HN 0.240 nan 8.210 nan 0.000 0.466 125 H N 1.684 120.812 119.070 0.098 0.000 2.520 125 H HA 0.268 4.824 4.556 -0.000 0.000 0.284 125 H C 0.144 175.508 175.328 0.060 0.000 1.037 125 H CA 0.110 56.188 56.048 0.050 0.000 1.168 125 H CB 0.035 29.823 29.762 0.042 0.000 1.497 125 H HN 0.528 nan 8.280 nan 0.000 0.547 126 E N 0.355 120.666 120.200 0.184 0.000 2.971 126 E HA -0.186 4.164 4.350 -0.000 0.000 0.278 126 E C 0.360 177.026 176.600 0.110 0.000 1.009 126 E CA 0.356 56.851 56.400 0.159 0.000 0.862 126 E CB -0.691 29.079 29.700 0.118 0.000 1.436 126 E HN 0.306 nan 8.360 nan 0.000 0.434 127 K N 1.734 122.205 120.400 0.119 0.000 2.270 127 K HA 0.074 4.394 4.320 -0.000 0.000 0.276 127 K C -0.265 176.306 176.600 -0.048 0.000 1.023 127 K CA -0.219 56.073 56.287 0.008 0.000 0.955 127 K CB 0.645 33.142 32.500 -0.005 0.000 0.975 127 K HN -0.082 nan 8.250 nan 0.000 0.471 128 D N 2.792 123.094 120.400 -0.164 0.000 2.350 128 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 128 D C -0.193 175.885 176.300 -0.371 0.000 1.119 128 D CA 0.301 54.186 54.000 -0.191 0.000 0.886 128 D CB 0.588 41.164 40.800 -0.374 0.000 1.195 128 D HN 0.390 nan 8.370 nan 0.000 0.437 129 H N 1.017 120.084 119.070 -0.005 0.000 2.600 129 H HA 0.312 4.868 4.556 -0.000 0.000 0.357 129 H C -2.236 173.115 175.328 0.038 0.000 1.106 129 H CA -1.717 54.313 56.048 -0.031 0.000 1.193 129 H CB 1.961 31.673 29.762 -0.082 0.000 1.594 129 H HN 0.051 nan 8.280 nan 0.000 0.526 130 P HA -0.047 nan 4.420 nan 0.000 0.267 130 P C 0.159 177.527 177.300 0.114 0.000 1.200 130 P CA 0.080 63.254 63.100 0.123 0.000 0.772 130 P CB 0.537 32.285 31.700 0.081 0.000 0.855 131 T N -0.521 114.101 114.554 0.114 0.000 2.934 131 T HA 0.255 4.605 4.350 -0.000 0.000 0.283 131 T C 1.125 175.876 174.700 0.084 0.000 1.005 131 T CA -0.645 61.485 62.100 0.051 0.000 1.041 131 T CB 0.479 69.340 68.868 -0.012 0.000 1.042 131 T HN 0.192 nan 8.240 nan 0.000 0.505 132 I N 1.326 121.958 120.570 0.104 0.000 2.399 132 I HA -0.081 4.089 4.170 -0.000 0.000 0.254 132 I C 1.951 177.863 176.117 -0.342 0.000 1.146 132 I CA 1.299 62.519 61.300 -0.133 0.000 1.412 132 I CB -0.426 37.411 38.000 -0.273 0.000 1.076 132 I HN 0.790 nan 8.210 nan 0.000 0.432 133 L N -0.167 120.911 121.223 -0.242 0.000 2.095 133 L HA -0.156 4.184 4.340 -0.000 0.000 0.204 133 L C 2.372 179.235 176.870 -0.012 0.000 1.080 133 L CA 1.408 56.185 54.840 -0.106 0.000 0.759 133 L CB -0.406 41.708 42.059 0.090 0.000 0.914 133 L HN 0.219 nan 8.230 nan 0.000 0.439 134 E N -0.389 119.820 120.200 0.014 0.000 2.077 134 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 134 E C 2.181 178.795 176.600 0.024 0.000 0.989 134 E CA 1.782 58.206 56.400 0.041 0.000 0.800 134 E CB -0.179 29.565 29.700 0.073 0.000 0.746 134 E HN 0.520 nan 8.360 nan 0.000 0.452 135 M N 0.288 119.892 119.600 0.007 0.000 2.175 135 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 135 M C 2.418 178.703 176.300 -0.025 0.000 1.063 135 M CA 1.335 56.633 55.300 -0.004 0.000 1.119 135 M CB -0.103 32.491 32.600 -0.010 0.000 1.377 135 M HN 0.134 nan 8.290 nan 0.000 0.415 136 A N 0.237 123.027 122.820 -0.050 0.000 1.930 136 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 136 A C 2.132 179.736 177.584 0.033 0.000 1.175 136 A CA 1.781 53.809 52.037 -0.016 0.000 0.627 136 A CB -0.558 18.439 19.000 -0.005 0.000 0.815 136 A HN 0.434 nan 8.150 nan 0.000 0.443 137 K N -0.288 120.136 120.400 0.040 0.000 2.025 137 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 137 K C 2.163 178.784 176.600 0.035 0.000 1.049 137 K CA 1.188 57.505 56.287 0.049 0.000 0.933 137 K CB -0.331 32.201 32.500 0.053 0.000 0.714 137 K HN 0.346 nan 8.250 nan 0.000 0.438 138 A N 0.874 123.710 122.820 0.026 0.000 1.933 138 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 138 A C 2.156 179.750 177.584 0.017 0.000 1.175 138 A CA 1.796 53.846 52.037 0.021 0.000 0.628 138 A CB -0.634 18.378 19.000 0.019 0.000 0.814 138 A HN 0.464 nan 8.150 nan 0.000 0.444 139 A N -1.966 120.862 122.820 0.014 0.000 2.235 139 A HA 0.401 4.721 4.320 -0.000 0.000 0.208 139 A C 1.766 179.361 177.584 0.019 0.000 1.172 139 A CA 1.245 53.288 52.037 0.011 0.000 0.786 139 A CB -0.904 18.096 19.000 -0.001 0.000 0.804 139 A HN 1.885 nan 8.150 nan 0.000 0.479 140 G N -2.143 106.674 108.800 0.028 0.000 2.176 140 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.232 140 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.232 140 G C -0.061 174.868 174.900 0.049 0.000 0.986 140 G CA 0.171 45.291 45.100 0.033 0.000 0.643 140 G HN 0.336 nan 8.290 nan 0.000 0.522 141 L N 1.225 122.486 121.223 0.063 0.000 2.439 141 L HA 0.763 5.103 4.340 -0.000 0.000 0.261 141 L C 1.175 178.117 176.870 0.121 0.000 1.153 141 L CA 0.473 55.372 54.840 0.098 0.000 0.808 141 L CB 0.987 43.113 42.059 0.111 0.000 1.126 141 L HN 0.481 nan 8.230 nan 0.000 0.460 142 A N 0.668 123.583 122.820 0.160 0.000 2.332 142 A HA 0.657 4.977 4.320 -0.000 0.000 0.258 142 A C -0.112 177.590 177.584 0.196 0.000 1.087 142 A CA 0.024 52.146 52.037 0.141 0.000 0.802 142 A CB 0.118 19.189 19.000 0.120 0.000 1.042 142 A HN 0.747 nan 8.150 nan 0.000 0.489 143 T N -1.376 113.263 114.554 0.142 0.000 2.933 143 T HA 0.728 5.078 4.350 -0.000 0.000 0.305 143 T C -0.332 174.427 174.700 0.099 0.000 1.092 143 T CA -0.012 62.205 62.100 0.195 0.000 1.008 143 T CB 1.714 70.706 68.868 0.206 0.000 1.102 143 T HN 1.604 nan 8.240 nan 0.000 0.469 144 G N 0.919 109.766 108.800 0.079 0.000 2.667 144 G HA2 0.594 4.554 3.960 -0.000 0.000 0.298 144 G HA3 0.594 4.554 3.960 -0.000 0.000 0.298 144 G C -1.736 173.168 174.900 0.007 0.000 1.377 144 G CA -0.831 44.265 45.100 -0.008 0.000 0.964 144 G HN 0.776 nan 8.290 nan 0.000 0.493 145 N N 0.677 119.387 118.700 0.017 0.000 2.558 145 N HA 0.498 5.237 4.740 -0.000 0.000 0.285 145 N C -1.320 174.199 175.510 0.016 0.000 1.112 145 N CA -0.259 52.815 53.050 0.039 0.000 0.857 145 N CB 1.996 40.531 38.487 0.080 0.000 1.376 145 N HN 0.287 nan 8.380 nan 0.000 0.526 146 V N 1.370 121.283 119.914 -0.001 0.000 2.604 146 V HA 0.782 4.901 4.120 -0.000 0.000 0.305 146 V C -0.228 175.874 176.094 0.013 0.000 1.043 146 V CA -0.583 61.720 62.300 0.004 0.000 0.888 146 V CB 1.685 33.492 31.823 -0.028 0.000 0.995 146 V HN 0.659 nan 8.190 nan 0.000 0.429 147 S N 1.295 117.014 115.700 0.031 0.000 2.550 147 S HA 0.450 4.920 4.470 -0.000 0.000 0.270 147 S C 0.547 175.171 174.600 0.040 0.000 1.145 147 S CA 0.215 58.432 58.200 0.028 0.000 0.852 147 S CB 2.159 65.380 63.200 0.035 0.000 1.119 147 S HN 0.991 nan 8.310 nan 0.000 0.465 148 T N 0.508 115.076 114.554 0.024 0.000 3.081 148 T HA 0.530 4.880 4.350 -0.000 0.000 0.250 148 T C 0.805 175.531 174.700 0.042 0.000 1.100 148 T CA 0.408 62.526 62.100 0.030 0.000 1.038 148 T CB 0.001 68.867 68.868 -0.003 0.000 0.962 148 T HN 0.750 nan 8.240 nan 0.000 0.516 149 A N 1.399 124.246 122.820 0.044 0.000 2.240 149 A HA 0.522 4.842 4.320 -0.000 0.000 0.292 149 A C 0.113 177.727 177.584 0.050 0.000 1.121 149 A CA -0.790 51.279 52.037 0.054 0.000 0.851 149 A CB 0.270 19.305 19.000 0.058 0.000 1.167 149 A HN 0.517 nan 8.150 nan 0.000 0.503 150 E N -0.556 119.678 120.200 0.056 0.000 2.413 150 E HA 0.048 4.398 4.350 -0.000 0.000 0.263 150 E C 0.180 176.768 176.600 -0.019 0.000 1.015 150 E CA -0.444 55.976 56.400 0.035 0.000 0.916 150 E CB 0.313 30.049 29.700 0.060 0.000 0.947 150 E HN 0.432 nan 8.360 nan 0.000 0.440 151 L N 2.808 124.019 121.223 -0.019 0.000 2.456 151 L HA -0.150 4.189 4.340 -0.000 0.000 0.224 151 L C 1.429 178.222 176.870 -0.128 0.000 1.148 151 L CA 1.629 56.449 54.840 -0.033 0.000 0.825 151 L CB -0.591 41.484 42.059 0.027 0.000 0.937 151 L HN 0.508 nan 8.230 nan 0.000 0.450 152 Q N -1.178 118.450 119.800 -0.288 0.000 2.360 152 Q HA 0.235 4.574 4.340 -0.000 0.000 0.202 152 Q C 1.160 176.852 176.000 -0.513 0.000 0.915 152 Q CA 0.210 55.665 55.803 -0.581 0.000 0.943 152 Q CB -0.047 27.923 28.738 -1.280 0.000 1.064 152 Q HN 0.360 nan 8.270 nan 0.000 0.511 153 G N 0.001 108.667 108.800 -0.224 0.000 2.614 153 G HA2 0.251 4.211 3.960 -0.000 0.000 0.239 153 G HA3 0.251 4.211 3.960 -0.000 0.000 0.239 153 G C 0.933 175.815 174.900 -0.030 0.000 1.240 153 G CA 0.053 45.127 45.100 -0.043 0.000 0.842 153 G HN 0.260 nan 8.290 nan 0.000 0.584 154 A N 1.324 124.159 122.820 0.026 0.000 1.896 154 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 154 A C 2.543 180.111 177.584 -0.028 0.000 1.206 154 A CA 2.887 54.921 52.037 -0.005 0.000 0.647 154 A CB -1.228 17.784 19.000 0.021 0.000 0.828 154 A HN 0.660 nan 8.150 nan 0.000 0.455 155 T N 0.233 114.806 114.554 0.032 0.000 2.614 155 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 155 T C -0.087 174.665 174.700 0.088 0.000 1.055 155 T CA 1.782 63.938 62.100 0.094 0.000 1.162 155 T CB -1.287 67.691 68.868 0.184 0.000 0.863 155 T HN 0.474 nan 8.240 nan 0.000 0.414 156 P HA 0.027 nan 4.420 nan 0.000 0.216 156 P C 1.475 178.781 177.300 0.010 0.000 1.153 156 P CA 1.359 64.493 63.100 0.056 0.000 0.848 156 P CB -0.320 31.398 31.700 0.029 0.000 0.787 157 A N 0.525 123.319 122.820 -0.043 0.000 1.940 157 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 157 A C 2.404 179.919 177.584 -0.116 0.000 1.176 157 A CA 2.163 54.145 52.037 -0.092 0.000 0.631 157 A CB -1.628 17.294 19.000 -0.129 0.000 0.814 157 A HN 0.212 nan 8.150 nan 0.000 0.446 158 A N -0.476 122.270 122.820 -0.124 0.000 2.076 158 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 158 A C 1.991 179.471 177.584 -0.174 0.000 1.160 158 A CA 1.410 53.331 52.037 -0.193 0.000 0.653 158 A CB -0.517 18.324 19.000 -0.265 0.000 0.801 158 A HN 0.502 nan 8.150 nan 0.000 0.455 159 L N -0.767 120.416 121.223 -0.068 0.000 2.418 159 L HA -0.033 4.307 4.340 -0.000 0.000 0.218 159 L C 1.778 178.622 176.870 -0.042 0.000 1.125 159 L CA 0.990 55.825 54.840 -0.008 0.000 0.835 159 L CB 0.164 42.301 42.059 0.129 0.000 0.953 159 L HN 0.462 nan 8.230 nan 0.000 0.454 160 V N -5.724 114.137 119.914 -0.089 0.000 3.426 160 V HA 0.516 4.636 4.120 -0.000 0.000 0.271 160 V C 0.529 176.541 176.094 -0.136 0.000 1.530 160 V CA -0.001 62.260 62.300 -0.065 0.000 1.021 160 V CB 0.187 32.007 31.823 -0.005 0.000 0.824 160 V HN 0.052 nan 8.190 nan 0.000 0.432 161 A N 0.201 122.881 122.820 -0.232 0.000 2.380 161 A HA 0.852 5.171 4.320 -0.000 0.000 0.315 161 A C -0.936 176.431 177.584 -0.362 0.000 1.101 161 A CA -0.489 51.431 52.037 -0.195 0.000 0.771 161 A CB 0.939 19.869 19.000 -0.117 0.000 1.287 161 A HN 0.519 nan 8.150 nan 0.000 0.436 162 H N 1.420 120.470 119.070 -0.033 0.000 2.887 162 H HA 0.496 5.052 4.556 -0.000 0.000 0.300 162 H C -0.923 174.394 175.328 -0.019 0.000 1.038 162 H CA -0.257 55.772 56.048 -0.032 0.000 1.352 162 H CB 1.190 30.937 29.762 -0.026 0.000 1.473 162 H HN 0.660 nan 8.280 nan 0.000 0.503 163 V N 0.012 119.957 119.914 0.052 0.000 3.049 163 V HA 0.343 4.463 4.120 -0.000 0.000 0.309 163 V C 1.110 177.232 176.094 0.048 0.000 1.148 163 V CA -0.904 61.423 62.300 0.046 0.000 0.990 163 V CB 1.823 33.661 31.823 0.024 0.000 1.039 163 V HN 0.666 nan 8.190 nan 0.000 0.430 164 T N -1.699 112.902 114.554 0.080 0.000 3.113 164 T HA 0.194 4.543 4.350 -0.000 0.000 0.256 164 T C 0.722 175.503 174.700 0.135 0.000 1.131 164 T CA 0.846 63.033 62.100 0.145 0.000 1.074 164 T CB -0.127 68.834 68.868 0.155 0.000 0.944 164 T HN 1.216 nan 8.240 nan 0.000 0.516 165 S N 0.747 116.490 115.700 0.071 0.000 2.572 165 S HA 0.374 4.843 4.470 -0.000 0.000 0.274 165 S C 0.964 175.589 174.600 0.042 0.000 1.150 165 S CA -1.036 57.201 58.200 0.061 0.000 0.944 165 S CB 1.504 64.745 63.200 0.067 0.000 1.071 165 S HN 0.459 nan 8.310 nan 0.000 0.479 166 R N 3.489 124.007 120.500 0.030 0.000 2.200 166 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 166 R C 0.973 177.363 176.300 0.150 0.000 1.127 166 R CA 1.427 57.562 56.100 0.058 0.000 0.989 166 R CB -0.442 29.886 30.300 0.047 0.000 0.869 166 R HN 0.531 nan 8.270 nan 0.000 0.459 167 K N 0.250 120.713 120.400 0.105 0.000 2.504 167 K HA 0.047 4.367 4.320 -0.000 0.000 0.195 167 K C 0.061 176.736 176.600 0.125 0.000 1.036 167 K CA 0.374 56.708 56.287 0.078 0.000 0.984 167 K CB 0.206 32.701 32.500 -0.010 0.000 0.788 167 K HN 0.158 nan 8.250 nan 0.000 0.488 168 c N 2.194 120.885 118.600 0.151 0.000 2.615 168 c HA 0.174 4.744 4.570 -0.000 0.000 0.503 168 c C 1.228 175.422 174.090 0.174 0.000 1.039 168 c CA -0.946 55.452 56.329 0.115 0.000 1.226 168 c CB -2.004 40.543 42.510 0.061 0.000 1.447 168 c HN 0.378 nan 8.230 nan 0.000 0.572 169 Y N 1.760 122.030 120.300 -0.050 0.000 2.089 169 Y HA 0.104 4.654 4.550 -0.001 0.000 0.282 169 Y C 1.875 177.708 175.900 -0.111 0.000 1.139 169 Y CA 1.781 59.837 58.100 -0.072 0.000 1.123 169 Y CB -0.631 37.793 38.460 -0.060 0.000 0.980 169 Y HN 0.555 nan 8.280 nan 0.000 0.493 170 G N -3.058 105.786 108.800 0.073 0.000 3.022 170 G HA2 0.369 4.328 3.960 -0.000 0.000 0.284 170 G HA3 0.369 4.328 3.960 -0.000 0.000 0.284 170 G C -2.163 172.727 174.900 -0.016 0.000 1.375 170 G CA -1.067 44.012 45.100 -0.034 0.000 0.902 170 G HN -0.217 nan 8.290 nan 0.000 0.538 171 P HA -0.175 nan 4.420 nan 0.000 0.216 171 P C 2.201 179.499 177.300 -0.004 0.000 1.157 171 P CA 2.203 65.296 63.100 -0.012 0.000 0.880 171 P CB 0.252 31.945 31.700 -0.011 0.000 0.791 172 S N -1.381 114.315 115.700 -0.006 0.000 2.348 172 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 172 S C 1.979 176.575 174.600 -0.008 0.000 1.033 172 S CA 1.550 59.746 58.200 -0.007 0.000 1.010 172 S CB -1.056 62.138 63.200 -0.010 0.000 0.891 172 S HN 0.089 nan 8.310 nan 0.000 0.442 173 A N 0.164 122.980 122.820 -0.006 0.000 1.969 173 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 173 A C 2.264 179.851 177.584 0.004 0.000 1.169 173 A CA 2.056 54.087 52.037 -0.010 0.000 0.635 173 A CB -1.170 17.822 19.000 -0.013 0.000 0.810 173 A HN 0.586 nan 8.150 nan 0.000 0.445 174 T N -0.162 114.400 114.554 0.012 0.000 2.904 174 T HA -0.058 4.291 4.350 -0.000 0.000 0.267 174 T C 2.185 176.891 174.700 0.009 0.000 1.059 174 T CA 1.405 63.514 62.100 0.015 0.000 1.137 174 T CB -0.198 68.678 68.868 0.013 0.000 0.879 174 T HN 0.460 nan 8.240 nan 0.000 0.467 175 S N 1.158 116.861 115.700 0.005 0.000 2.368 175 S HA -0.115 4.354 4.470 -0.000 0.000 0.225 175 S C 2.061 176.662 174.600 0.002 0.000 1.030 175 S CA 1.039 59.241 58.200 0.003 0.000 0.999 175 S CB -0.205 62.996 63.200 0.001 0.000 0.844 175 S HN 0.597 nan 8.310 nan 0.000 0.459 176 E N 0.572 120.772 120.200 -0.001 0.000 2.170 176 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 176 E C 1.513 178.112 176.600 -0.001 0.000 0.981 176 E CA 0.744 57.141 56.400 -0.004 0.000 0.830 176 E CB 0.138 29.832 29.700 -0.010 0.000 0.775 176 E HN 0.352 nan 8.360 nan 0.000 0.470 177 K N -1.236 119.166 120.400 0.003 0.000 2.399 177 K HA 0.195 4.514 4.320 -0.000 0.000 0.196 177 K C 0.130 176.741 176.600 0.018 0.000 1.103 177 K CA 0.071 56.363 56.287 0.008 0.000 0.986 177 K CB 1.156 33.660 32.500 0.007 0.000 0.952 177 K HN 0.005 nan 8.250 nan 0.000 0.541 178 c N 2.566 121.177 118.600 0.020 0.000 3.290 178 c HA 0.244 4.814 4.570 -0.000 0.000 0.206 178 c C -1.681 172.421 174.090 0.019 0.000 1.639 178 c CA -1.264 55.081 56.329 0.026 0.000 1.408 178 c CB 0.399 42.929 42.510 0.033 0.000 2.197 178 c HN 0.256 nan 8.230 nan 0.000 0.508 179 P HA -0.095 nan 4.420 nan 0.000 0.220 179 P C 1.579 178.886 177.300 0.011 0.000 1.148 179 P CA 1.659 64.765 63.100 0.010 0.000 0.803 179 P CB 0.208 31.912 31.700 0.006 0.000 0.782 180 G N -0.313 108.496 108.800 0.014 0.000 2.509 180 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.218 180 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.218 180 G C 1.333 176.243 174.900 0.017 0.000 1.124 180 G CA 0.456 45.564 45.100 0.014 0.000 0.776 180 G HN 0.341 nan 8.290 nan 0.000 0.547 181 N N 0.054 118.767 118.700 0.021 0.000 2.356 181 N HA 0.293 5.032 4.740 -0.000 0.000 0.178 181 N C 1.074 176.596 175.510 0.019 0.000 1.075 181 N CA 0.114 53.178 53.050 0.023 0.000 0.889 181 N CB 0.323 38.828 38.487 0.030 0.000 0.999 181 N HN 0.260 nan 8.380 nan 0.000 0.464 182 A N 0.846 123.676 122.820 0.016 0.000 2.548 182 A HA -0.012 4.307 4.320 -0.000 0.000 0.247 182 A C 1.230 178.823 177.584 0.015 0.000 1.067 182 A CA -0.097 51.947 52.037 0.013 0.000 0.757 182 A CB 0.055 19.061 19.000 0.010 0.000 0.996 182 A HN 0.279 nan 8.150 nan 0.000 0.504 183 L N 2.025 123.258 121.223 0.017 0.000 2.042 183 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 183 L C 2.665 179.546 176.870 0.019 0.000 1.076 183 L CA 2.579 57.433 54.840 0.023 0.000 0.749 183 L CB -0.415 41.664 42.059 0.033 0.000 0.893 183 L HN 0.897 nan 8.230 nan 0.000 0.432 184 E N -0.798 119.412 120.200 0.016 0.000 2.418 184 E HA -0.232 4.117 4.350 -0.000 0.000 0.197 184 E C 1.428 178.033 176.600 0.008 0.000 1.026 184 E CA 0.922 57.329 56.400 0.011 0.000 0.862 184 E CB -0.166 29.540 29.700 0.010 0.000 0.799 184 E HN 0.300 nan 8.360 nan 0.000 0.518 185 K N -0.179 120.226 120.400 0.008 0.000 2.387 185 K HA 0.236 4.555 4.320 -0.000 0.000 0.198 185 K C 0.878 177.481 176.600 0.005 0.000 1.022 185 K CA 0.615 56.905 56.287 0.006 0.000 1.128 185 K CB 0.477 32.980 32.500 0.006 0.000 0.853 185 K HN 0.310 nan 8.250 nan 0.000 0.523 186 G N -0.627 108.177 108.800 0.007 0.000 2.175 186 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.244 186 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.244 186 G C 0.515 175.420 174.900 0.008 0.000 0.982 186 G CA -0.162 44.942 45.100 0.006 0.000 0.641 186 G HN 0.537 nan 8.290 nan 0.000 0.527 187 G N -0.670 108.137 108.800 0.012 0.000 2.588 187 G HA2 0.536 4.495 3.960 -0.000 0.000 0.281 187 G HA3 0.536 4.495 3.960 -0.000 0.000 0.281 187 G C 0.817 175.728 174.900 0.019 0.000 1.236 187 G CA 0.212 45.320 45.100 0.013 0.000 0.969 187 G HN 0.290 nan 8.290 nan 0.000 0.504 188 K N -0.570 119.843 120.400 0.021 0.000 2.288 188 K HA 0.296 4.616 4.320 -0.000 0.000 0.201 188 K C 1.167 177.787 176.600 0.033 0.000 1.048 188 K CA 0.915 57.219 56.287 0.029 0.000 0.956 188 K CB 0.033 32.553 32.500 0.033 0.000 0.746 188 K HN 0.930 nan 8.250 nan 0.000 0.461 189 G N 0.273 109.088 108.800 0.025 0.000 2.371 189 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.663 189 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.663 189 G C -0.579 174.323 174.900 0.004 0.000 1.311 189 G CA -0.520 44.589 45.100 0.015 0.000 0.985 189 G HN 0.155 nan 8.290 nan 0.000 0.566 190 S N -0.935 114.756 115.700 -0.016 0.000 2.634 190 S HA 0.560 5.030 4.470 -0.000 0.000 0.261 190 S C 1.835 176.402 174.600 -0.055 0.000 1.271 190 S CA 0.070 58.255 58.200 -0.026 0.000 0.985 190 S CB 0.912 64.090 63.200 -0.037 0.000 0.968 190 S HN 0.882 nan 8.310 nan 0.000 0.568 191 I N 0.888 121.418 120.570 -0.067 0.000 2.151 191 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 191 I C 2.648 178.666 176.117 -0.166 0.000 1.080 191 I CA 1.804 63.035 61.300 -0.115 0.000 1.339 191 I CB -1.008 36.898 38.000 -0.156 0.000 1.039 191 I HN 0.739 nan 8.210 nan 0.000 0.409 192 T N -0.185 114.228 114.554 -0.236 0.000 2.821 192 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 192 T C 1.704 176.235 174.700 -0.282 0.000 1.046 192 T CA 1.204 63.084 62.100 -0.366 0.000 1.139 192 T CB -0.247 68.250 68.868 -0.619 0.000 0.871 192 T HN 0.427 nan 8.240 nan 0.000 0.454 193 E N 1.049 121.135 120.200 -0.189 0.000 2.150 193 E HA -0.095 4.254 4.350 -0.000 0.000 0.193 193 E C 2.482 179.037 176.600 -0.074 0.000 0.985 193 E CA 0.728 57.051 56.400 -0.128 0.000 0.814 193 E CB -0.066 29.594 29.700 -0.066 0.000 0.752 193 E HN 0.554 nan 8.360 nan 0.000 0.466 194 Q N 0.505 120.271 119.800 -0.056 0.000 2.123 194 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 194 Q C 2.410 178.404 176.000 -0.010 0.000 0.966 194 Q CA 0.656 56.453 55.803 -0.011 0.000 0.845 194 Q CB -0.060 28.680 28.738 0.004 0.000 0.907 194 Q HN 0.306 nan 8.270 nan 0.000 0.439 195 L N 0.529 121.724 121.223 -0.047 0.000 2.012 195 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 195 L C 2.023 178.899 176.870 0.011 0.000 1.073 195 L CA 0.959 55.787 54.840 -0.021 0.000 0.748 195 L CB -0.193 41.837 42.059 -0.048 0.000 0.891 195 L HN 0.215 nan 8.230 nan 0.000 0.431 196 L N 0.476 121.665 121.223 -0.057 0.000 2.079 196 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 196 L C 2.377 179.294 176.870 0.079 0.000 1.081 196 L CA 1.594 56.394 54.840 -0.066 0.000 0.752 196 L CB -1.623 40.318 42.059 -0.198 0.000 0.896 196 L HN 0.437 nan 8.230 nan 0.000 0.433 197 N N -0.475 118.252 118.700 0.046 0.000 2.216 197 N HA -0.044 4.695 4.740 -0.000 0.000 0.183 197 N C 1.810 177.375 175.510 0.092 0.000 1.017 197 N CA 1.284 54.379 53.050 0.076 0.000 0.861 197 N CB -0.122 38.405 38.487 0.067 0.000 0.986 197 N HN 0.302 nan 8.380 nan 0.000 0.428 198 A N 0.900 123.773 122.820 0.088 0.000 2.070 198 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 198 A C 1.015 178.655 177.584 0.094 0.000 1.159 198 A CA 0.466 52.555 52.037 0.087 0.000 0.656 198 A CB -0.512 18.534 19.000 0.077 0.000 0.800 198 A HN 0.382 nan 8.150 nan 0.000 0.453 199 R N -1.519 119.063 120.500 0.137 0.000 3.092 199 R HA -0.187 4.153 4.340 -0.000 0.000 0.245 199 R C 0.190 176.527 176.300 0.062 0.000 0.881 199 R CA 0.105 56.271 56.100 0.109 0.000 0.614 199 R CB -1.899 28.405 30.300 0.006 0.000 1.128 199 R HN 0.783 nan 8.270 nan 0.000 0.483 200 A N 1.014 123.894 122.820 0.101 0.000 2.425 200 A HA 0.058 4.378 4.320 -0.000 0.000 0.242 200 A C 1.050 178.660 177.584 0.043 0.000 1.077 200 A CA 0.151 52.237 52.037 0.082 0.000 0.781 200 A CB 0.288 19.350 19.000 0.103 0.000 1.020 200 A HN 0.597 nan 8.150 nan 0.000 0.494 201 D N -0.129 120.283 120.400 0.021 0.000 2.149 201 D HA -0.007 4.633 4.640 -0.000 0.000 0.201 201 D C -0.003 176.286 176.300 -0.019 0.000 0.972 201 D CA 1.455 55.443 54.000 -0.020 0.000 0.835 201 D CB 0.108 40.894 40.800 -0.024 0.000 0.966 201 D HN 0.206 nan 8.370 nan 0.000 0.476 202 V N 0.784 120.694 119.914 -0.007 0.000 2.531 202 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 202 V C -0.415 175.687 176.094 0.014 0.000 1.034 202 V CA -0.395 61.897 62.300 -0.013 0.000 0.865 202 V CB 2.238 34.023 31.823 -0.063 0.000 0.995 202 V HN -0.098 nan 8.190 nan 0.000 0.424 203 T N 6.666 121.235 114.554 0.024 0.000 2.937 203 T HA 0.721 5.071 4.350 -0.000 0.000 0.297 203 T C -0.873 173.817 174.700 -0.017 0.000 0.991 203 T CA -0.356 61.756 62.100 0.019 0.000 0.990 203 T CB 1.039 69.932 68.868 0.041 0.000 0.991 203 T HN 0.385 nan 8.240 nan 0.000 0.440 204 L N 2.410 123.638 121.223 0.008 0.000 2.436 204 L HA 0.909 5.249 4.340 -0.000 0.000 0.268 204 L C 0.400 177.318 176.870 0.080 0.000 0.974 204 L CA -0.661 54.210 54.840 0.051 0.000 0.826 204 L CB 2.197 44.388 42.059 0.220 0.000 1.291 204 L HN 0.908 nan 8.230 nan 0.000 0.406 205 G N 1.029 109.854 108.800 0.042 0.000 2.335 205 G HA2 0.513 4.473 3.960 -0.000 0.000 0.291 205 G HA3 0.513 4.473 3.960 -0.000 0.000 0.291 205 G C -1.036 173.886 174.900 0.038 0.000 1.261 205 G CA 0.034 45.190 45.100 0.093 0.000 0.871 205 G HN 0.786 nan 8.290 nan 0.000 0.491 206 G N -2.192 106.638 108.800 0.049 0.000 2.606 206 G HA2 0.632 4.592 3.960 -0.000 0.000 0.262 206 G HA3 0.632 4.592 3.960 -0.000 0.000 0.262 206 G C 0.995 175.902 174.900 0.011 0.000 1.394 206 G CA 0.429 45.547 45.100 0.029 0.000 1.044 206 G HN 2.346 nan 8.290 nan 0.000 0.553 207 G N -2.200 106.628 108.800 0.047 0.000 2.164 207 G HA2 0.162 4.122 3.960 -0.000 0.000 0.212 207 G HA3 0.162 4.122 3.960 -0.000 0.000 0.212 207 G C 1.030 176.028 174.900 0.162 0.000 1.031 207 G CA 0.921 46.081 45.100 0.102 0.000 0.730 207 G HN 1.579 nan 8.290 nan 0.000 0.501 208 A N -0.290 122.565 122.820 0.058 0.000 2.067 208 A HA 0.157 4.476 4.320 -0.000 0.000 0.219 208 A C 2.164 179.839 177.584 0.152 0.000 1.158 208 A CA 2.185 54.242 52.037 0.032 0.000 0.661 208 A CB -0.258 18.698 19.000 -0.074 0.000 0.801 208 A HN 0.512 nan 8.150 nan 0.000 0.452 209 K N -0.441 120.038 120.400 0.132 0.000 2.001 209 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 209 K C 1.867 178.545 176.600 0.130 0.000 1.050 209 K CA 2.065 58.421 56.287 0.115 0.000 0.934 209 K CB -0.486 32.073 32.500 0.099 0.000 0.718 209 K HN 0.451 nan 8.250 nan 0.000 0.443 210 T N 0.757 115.395 114.554 0.140 0.000 2.897 210 T HA -0.118 4.232 4.350 -0.000 0.000 0.271 210 T C 1.319 175.998 174.700 -0.035 0.000 1.084 210 T CA 1.024 63.151 62.100 0.045 0.000 1.123 210 T CB -0.255 68.629 68.868 0.026 0.000 0.865 210 T HN 0.155 nan 8.240 nan 0.000 0.496 211 F N 1.138 121.062 119.950 -0.045 0.000 2.699 211 F HA 0.246 4.773 4.527 -0.001 0.000 0.298 211 F C 2.240 178.008 175.800 -0.054 0.000 1.154 211 F CA -0.038 57.919 58.000 -0.073 0.000 1.457 211 F CB -0.325 38.610 39.000 -0.107 0.000 1.106 211 F HN 0.138 nan 8.300 nan 0.000 0.585 212 A N -0.780 122.112 122.820 0.120 0.000 2.208 212 A HA 0.022 4.342 4.320 -0.000 0.000 0.209 212 A C 0.962 178.565 177.584 0.031 0.000 1.161 212 A CA 0.095 52.171 52.037 0.065 0.000 0.782 212 A CB -0.472 18.560 19.000 0.052 0.000 0.816 212 A HN 0.264 nan 8.150 nan 0.000 0.477 213 E N 0.662 120.867 120.200 0.007 0.000 2.349 213 E HA 0.347 4.696 4.350 -0.000 0.000 0.262 213 E C -0.122 176.474 176.600 -0.007 0.000 1.088 213 E CA 0.071 56.467 56.400 -0.007 0.000 0.899 213 E CB 0.743 30.427 29.700 -0.027 0.000 1.044 213 E HN 0.402 nan 8.360 nan 0.000 0.420 214 T N -1.562 112.994 114.554 0.004 0.000 2.859 214 T HA 0.623 4.972 4.350 -0.000 0.000 0.281 214 T C -0.066 174.645 174.700 0.018 0.000 1.005 214 T CA -1.098 61.013 62.100 0.019 0.000 1.025 214 T CB 1.617 70.502 68.868 0.027 0.000 0.977 214 T HN 0.475 nan 8.240 nan 0.000 0.458 215 A N 2.122 124.965 122.820 0.039 0.000 2.407 215 A HA 0.491 4.811 4.320 -0.000 0.000 0.248 215 A C 1.568 179.178 177.584 0.043 0.000 1.082 215 A CA -0.107 51.958 52.037 0.046 0.000 0.785 215 A CB -0.078 18.979 19.000 0.094 0.000 1.020 215 A HN 1.133 nan 8.150 nan 0.000 0.489 216 T N -1.248 113.326 114.554 0.033 0.000 3.081 216 T HA 0.491 4.841 4.350 -0.000 0.000 0.255 216 T C 0.588 175.304 174.700 0.027 0.000 1.113 216 T CA 0.864 62.979 62.100 0.025 0.000 1.082 216 T CB -0.256 68.621 68.868 0.016 0.000 0.939 216 T HN 1.702 nan 8.240 nan 0.000 0.506 217 A N -0.632 122.211 122.820 0.038 0.000 2.515 217 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 217 A C 0.364 177.976 177.584 0.047 0.000 1.179 217 A CA -0.254 51.800 52.037 0.029 0.000 0.656 217 A CB 0.616 19.630 19.000 0.022 0.000 1.306 217 A HN 1.463 nan 8.150 nan 0.000 0.459 218 G N -0.693 108.118 108.800 0.020 0.000 2.725 218 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 218 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 218 G C 0.542 175.394 174.900 -0.080 0.000 1.357 218 G CA 0.792 45.896 45.100 0.006 0.000 0.866 218 G HN 1.323 nan 8.290 nan 0.000 0.548 219 E N -0.924 119.127 120.200 -0.248 0.000 2.153 219 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 219 E C 0.937 177.187 176.600 -0.583 0.000 0.988 219 E CA 1.422 57.464 56.400 -0.597 0.000 0.811 219 E CB -0.048 28.954 29.700 -1.164 0.000 0.746 219 E HN 0.524 nan 8.360 nan 0.000 0.466 220 W N 1.894 123.199 121.300 0.008 0.000 2.764 220 W HA 0.220 4.880 4.660 -0.000 0.000 0.427 220 W C 0.045 176.566 176.519 0.003 0.000 0.896 220 W CA -0.717 56.634 57.345 0.009 0.000 2.307 220 W CB -0.355 29.112 29.460 0.012 0.000 1.192 220 W HN 0.117 nan 8.180 nan 0.000 0.731 221 Q N 0.272 120.145 119.800 0.122 0.000 2.304 221 Q HA 0.239 4.578 4.340 -0.000 0.000 0.301 221 Q C 1.495 177.540 176.000 0.074 0.000 1.063 221 Q CA 2.135 57.987 55.803 0.081 0.000 0.947 221 Q CB 0.594 29.351 28.738 0.031 0.000 1.201 221 Q HN 0.495 nan 8.270 nan 0.000 0.389 222 G N 2.926 111.765 108.800 0.064 0.000 2.267 222 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 222 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 222 G C -0.285 174.654 174.900 0.066 0.000 0.998 222 G CA 0.411 45.542 45.100 0.052 0.000 0.620 222 G HN 0.542 nan 8.290 nan 0.000 0.529 223 K N 1.781 122.242 120.400 0.102 0.000 2.098 223 K HA 0.556 4.875 4.320 -0.000 0.000 0.261 223 K C 0.964 177.609 176.600 0.075 0.000 0.987 223 K CA 0.241 56.591 56.287 0.104 0.000 0.916 223 K CB 0.796 33.397 32.500 0.169 0.000 1.039 223 K HN 0.512 nan 8.250 nan 0.000 0.455 224 T N -1.528 113.056 114.554 0.051 0.000 2.860 224 T HA 0.192 4.541 4.350 -0.000 0.000 0.299 224 T C 1.713 176.421 174.700 0.012 0.000 1.045 224 T CA -0.554 61.564 62.100 0.031 0.000 1.071 224 T CB 0.375 69.264 68.868 0.035 0.000 0.985 224 T HN 0.429 nan 8.240 nan 0.000 0.537 225 L N 0.027 121.243 121.223 -0.012 0.000 2.201 225 L HA 0.016 4.355 4.340 -0.000 0.000 0.212 225 L C 3.163 180.061 176.870 0.046 0.000 1.105 225 L CA 1.015 55.819 54.840 -0.059 0.000 0.775 225 L CB -0.585 41.355 42.059 -0.199 0.000 0.913 225 L HN 0.752 nan 8.230 nan 0.000 0.440 226 R N 0.752 121.328 120.500 0.127 0.000 2.073 226 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 226 R C 2.165 178.459 176.300 -0.011 0.000 1.134 226 R CA 1.795 57.939 56.100 0.073 0.000 0.952 226 R CB -0.074 30.250 30.300 0.040 0.000 0.850 226 R HN 0.408 nan 8.270 nan 0.000 0.433 227 E N 0.081 120.280 120.200 -0.001 0.000 2.085 227 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 227 E C 2.088 178.665 176.600 -0.039 0.000 0.994 227 E CA 1.397 57.799 56.400 0.003 0.000 0.801 227 E CB -0.125 29.600 29.700 0.042 0.000 0.743 227 E HN 0.444 nan 8.360 nan 0.000 0.453 228 Q N 0.709 120.438 119.800 -0.119 0.000 2.045 228 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 228 Q C 2.236 178.020 176.000 -0.359 0.000 0.991 228 Q CA 1.775 57.340 55.803 -0.397 0.000 0.851 228 Q CB -0.212 28.230 28.738 -0.493 0.000 0.911 228 Q HN 0.270 nan 8.270 nan 0.000 0.418 229 A N 0.764 123.436 122.820 -0.248 0.000 1.917 229 A HA -0.278 4.041 4.320 -0.000 0.000 0.219 229 A C 1.794 179.381 177.584 0.006 0.000 1.182 229 A CA 1.969 53.865 52.037 -0.236 0.000 0.633 229 A CB -0.657 18.133 19.000 -0.351 0.000 0.819 229 A HN 0.611 nan 8.150 nan 0.000 0.448 230 E N -0.395 119.794 120.200 -0.017 0.000 2.047 230 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 230 E C 2.290 178.925 176.600 0.058 0.000 0.987 230 E CA 0.886 57.307 56.400 0.034 0.000 0.799 230 E CB -0.319 29.390 29.700 0.014 0.000 0.752 230 E HN 0.613 nan 8.360 nan 0.000 0.449 231 A N 1.354 124.204 122.820 0.050 0.000 2.019 231 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 231 A C 1.863 179.536 177.584 0.149 0.000 1.164 231 A CA 1.062 53.178 52.037 0.131 0.000 0.644 231 A CB -0.290 18.861 19.000 0.252 0.000 0.805 231 A HN 0.056 nan 8.150 nan 0.000 0.449 232 R N -1.455 119.093 120.500 0.080 0.000 2.356 232 R HA 0.261 4.601 4.340 -0.000 0.000 0.234 232 R C 1.095 177.446 176.300 0.086 0.000 0.929 232 R CA 0.489 56.655 56.100 0.111 0.000 1.084 232 R CB -0.006 30.325 30.300 0.052 0.000 1.105 232 R HN 0.637 nan 8.270 nan 0.000 0.515 233 G N 0.005 108.850 108.800 0.075 0.000 2.157 233 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.239 233 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.239 233 G C -0.245 174.627 174.900 -0.046 0.000 0.982 233 G CA -0.410 44.687 45.100 -0.006 0.000 0.650 233 G HN 0.269 nan 8.290 nan 0.000 0.527 234 Y N 1.321 121.593 120.300 -0.046 0.000 2.346 234 Y HA 0.447 4.997 4.550 -0.001 0.000 0.330 234 Y C 1.288 177.153 175.900 -0.060 0.000 1.178 234 Y CA 0.096 58.162 58.100 -0.057 0.000 1.331 234 Y CB 0.678 39.092 38.460 -0.077 0.000 1.253 234 Y HN 0.242 nan 8.280 nan 0.000 0.529 235 Q N 3.652 123.504 119.800 0.086 0.000 2.349 235 Q HA 0.355 4.694 4.340 -0.000 0.000 0.254 235 Q C -1.369 174.639 176.000 0.013 0.000 0.980 235 Q CA -0.569 55.251 55.803 0.028 0.000 0.924 235 Q CB 0.800 29.539 28.738 0.001 0.000 1.209 235 Q HN 0.441 nan 8.270 nan 0.000 0.445 236 L N 3.153 124.359 121.223 -0.028 0.000 2.309 236 L HA 0.506 4.846 4.340 -0.000 0.000 0.282 236 L C -0.325 176.489 176.870 -0.093 0.000 1.036 236 L CA -0.645 54.134 54.840 -0.101 0.000 0.806 236 L CB 1.749 43.722 42.059 -0.142 0.000 1.220 236 L HN 0.404 nan 8.230 nan 0.000 0.429 237 V N -0.544 119.291 119.914 -0.133 0.000 2.789 237 V HA 0.806 4.926 4.120 -0.000 0.000 0.311 237 V C 0.074 176.084 176.094 -0.140 0.000 1.073 237 V CA -0.183 62.078 62.300 -0.064 0.000 0.921 237 V CB 1.904 33.751 31.823 0.041 0.000 1.009 237 V HN 0.744 nan 8.190 nan 0.000 0.426 238 S N 0.262 115.956 115.700 -0.011 0.000 2.846 238 S HA 0.466 4.936 4.470 -0.000 0.000 0.249 238 S C -0.229 174.537 174.600 0.277 0.000 1.028 238 S CA 0.192 58.395 58.200 0.006 0.000 1.043 238 S CB -0.632 62.532 63.200 -0.059 0.000 0.990 238 S HN 1.261 nan 8.310 nan 0.000 0.564 239 D N -0.927 119.677 120.400 0.340 0.000 2.639 239 D HA 0.690 5.329 4.640 -0.000 0.000 0.271 239 D C 0.920 177.270 176.300 0.083 0.000 1.254 239 D CA -0.395 53.728 54.000 0.204 0.000 0.810 239 D CB 0.737 41.588 40.800 0.084 0.000 1.351 239 D HN -0.038 nan 8.370 nan 0.000 0.427 240 A N 0.429 123.203 122.820 -0.077 0.000 1.908 240 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 240 A C 2.200 179.755 177.584 -0.048 0.000 1.181 240 A CA 2.798 54.758 52.037 -0.128 0.000 0.627 240 A CB -1.455 17.464 19.000 -0.135 0.000 0.818 240 A HN 0.809 nan 8.150 nan 0.000 0.445 241 A N 0.265 123.074 122.820 -0.019 0.000 1.865 241 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 241 A C 2.523 180.110 177.584 0.005 0.000 1.191 241 A CA 2.642 54.674 52.037 -0.009 0.000 0.623 241 A CB -1.118 17.881 19.000 -0.003 0.000 0.826 241 A HN 0.871 nan 8.150 nan 0.000 0.444 242 S N -0.003 115.713 115.700 0.026 0.000 2.368 242 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 242 S C 1.843 176.470 174.600 0.044 0.000 1.029 242 S CA 1.312 59.532 58.200 0.033 0.000 0.988 242 S CB -0.812 62.412 63.200 0.041 0.000 0.838 242 S HN 0.510 nan 8.310 nan 0.000 0.462 243 L N 2.558 123.831 121.223 0.083 0.000 2.013 243 L HA -0.129 4.210 4.340 -0.000 0.000 0.212 243 L C 1.727 178.611 176.870 0.022 0.000 1.073 243 L CA 2.005 56.899 54.840 0.090 0.000 0.753 243 L CB -1.143 40.974 42.059 0.097 0.000 0.890 243 L HN 0.220 nan 8.230 nan 0.000 0.432 244 N N -1.484 117.214 118.700 -0.004 0.000 2.457 244 N HA -0.072 4.668 4.740 -0.000 0.000 0.180 244 N C 1.550 177.053 175.510 -0.012 0.000 1.050 244 N CA 0.863 53.902 53.050 -0.019 0.000 0.906 244 N CB 0.090 38.559 38.487 -0.031 0.000 0.968 244 N HN 0.331 nan 8.380 nan 0.000 0.445 245 S N -0.407 115.291 115.700 -0.004 0.000 2.481 245 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 245 S C 0.565 175.162 174.600 -0.006 0.000 0.996 245 S CA 0.120 58.317 58.200 -0.004 0.000 0.942 245 S CB 0.221 63.421 63.200 -0.000 0.000 0.768 245 S HN 0.026 nan 8.310 nan 0.000 0.520 246 V N 3.135 123.046 119.914 -0.005 0.000 2.493 246 V HA 0.004 4.124 4.120 -0.000 0.000 0.292 246 V C 1.270 177.353 176.094 -0.018 0.000 1.016 246 V CA 0.685 62.979 62.300 -0.010 0.000 1.097 246 V CB 0.807 32.626 31.823 -0.007 0.000 0.947 246 V HN 0.377 nan 8.190 nan 0.000 0.479 247 T N 3.487 118.031 114.554 -0.017 0.000 3.031 247 T HA 0.112 4.462 4.350 -0.000 0.000 0.254 247 T C 0.585 175.271 174.700 -0.025 0.000 1.060 247 T CA 0.611 62.700 62.100 -0.019 0.000 1.135 247 T CB 0.161 69.021 68.868 -0.013 0.000 0.896 247 T HN 0.621 nan 8.240 nan 0.000 0.472 248 E N -0.359 119.825 120.200 -0.027 0.000 2.392 248 E HA 0.690 5.040 4.350 -0.000 0.000 0.279 248 E C -1.835 174.742 176.600 -0.039 0.000 0.964 248 E CA -0.649 55.731 56.400 -0.033 0.000 0.777 248 E CB 2.487 32.171 29.700 -0.026 0.000 1.249 248 E HN 0.141 nan 8.360 nan 0.000 0.449 249 A N 2.371 125.162 122.820 -0.047 0.000 2.427 249 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 249 A C -0.863 176.689 177.584 -0.053 0.000 1.036 249 A CA -0.571 51.434 52.037 -0.053 0.000 0.701 249 A CB 0.772 19.738 19.000 -0.058 0.000 1.250 249 A HN 0.708 nan 8.150 nan 0.000 0.412 250 N N 0.379 119.044 118.700 -0.059 0.000 3.378 250 N HA 0.207 4.947 4.740 -0.000 0.000 0.294 250 N C 0.058 175.523 175.510 -0.074 0.000 1.544 250 N CA -0.658 52.362 53.050 -0.050 0.000 0.872 250 N CB 0.314 38.780 38.487 -0.034 0.000 1.670 250 N HN 0.176 nan 8.380 nan 0.000 0.551 251 Q N -0.516 119.248 119.800 -0.060 0.000 2.364 251 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 251 Q C 0.880 176.822 176.000 -0.096 0.000 0.970 251 Q CA 1.444 57.199 55.803 -0.079 0.000 0.888 251 Q CB -0.192 28.520 28.738 -0.043 0.000 0.951 251 Q HN 0.632 nan 8.270 nan 0.000 0.469 252 Q N 0.236 119.991 119.800 -0.075 0.000 2.165 252 Q HA 0.002 4.341 4.340 -0.000 0.000 0.197 252 Q C 0.049 175.991 176.000 -0.097 0.000 0.952 252 Q CA 0.942 56.703 55.803 -0.070 0.000 0.848 252 Q CB 0.463 29.176 28.738 -0.041 0.000 0.931 252 Q HN -0.008 nan 8.270 nan 0.000 0.470 253 K N 1.153 121.494 120.400 -0.097 0.000 2.606 253 K HA 0.269 4.589 4.320 -0.000 0.000 0.196 253 K C -2.639 173.881 176.600 -0.134 0.000 1.048 253 K CA -1.637 54.587 56.287 -0.105 0.000 1.017 253 K CB 1.517 33.981 32.500 -0.059 0.000 1.413 253 K HN 0.030 nan 8.250 nan 0.000 0.568 254 P HA 0.043 nan 4.420 nan 0.000 0.275 254 P C -0.794 176.450 177.300 -0.094 0.000 1.227 254 P CA -0.670 62.293 63.100 -0.228 0.000 0.781 254 P CB 1.061 32.496 31.700 -0.442 0.000 0.906 255 L N 4.571 125.788 121.223 -0.011 0.000 2.275 255 L HA 0.471 4.810 4.340 -0.000 0.000 0.288 255 L C -0.914 176.004 176.870 0.080 0.000 1.046 255 L CA -0.577 54.282 54.840 0.032 0.000 0.805 255 L CB 0.646 42.703 42.059 -0.004 0.000 1.193 255 L HN 0.197 nan 8.230 nan 0.000 0.426 256 L N 5.420 126.677 121.223 0.056 0.000 2.342 256 L HA 0.781 5.121 4.340 -0.000 0.000 0.276 256 L C -0.162 176.557 176.870 -0.251 0.000 0.997 256 L CA -0.038 54.755 54.840 -0.079 0.000 0.838 256 L CB 1.355 43.327 42.059 -0.144 0.000 1.224 256 L HN 0.676 nan 8.230 nan 0.000 0.416 257 G N 6.012 114.603 108.800 -0.348 0.000 2.384 257 G HA2 0.571 4.531 3.960 -0.000 0.000 0.316 257 G HA3 0.571 4.531 3.960 -0.000 0.000 0.316 257 G C -1.107 173.161 174.900 -1.054 0.000 1.160 257 G CA -0.423 44.238 45.100 -0.731 0.000 0.936 257 G HN 0.535 nan 8.290 nan 0.000 0.455 258 L N 3.103 123.704 121.223 -1.036 0.000 2.337 258 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 258 L C -0.177 176.328 176.870 -0.608 0.000 1.018 258 L CA -0.669 53.739 54.840 -0.721 0.000 0.876 258 L CB 1.023 42.734 42.059 -0.579 0.000 1.236 258 L HN 0.529 nan 8.230 nan 0.000 0.436 259 F N 1.603 121.504 119.950 -0.081 0.000 2.727 259 F HA 0.486 5.013 4.527 -0.000 0.000 0.302 259 F C 1.025 176.802 175.800 -0.039 0.000 1.097 259 F CA -0.406 57.560 58.000 -0.057 0.000 1.330 259 F CB 0.398 39.368 39.000 -0.049 0.000 1.084 259 F HN 0.424 nan 8.300 nan 0.000 0.578 260 A N -0.778 122.085 122.820 0.071 0.000 2.599 260 A HA 0.426 4.746 4.320 -0.000 0.000 0.294 260 A C -0.090 177.511 177.584 0.028 0.000 1.055 260 A CA -0.632 51.441 52.037 0.060 0.000 0.683 260 A CB 0.242 19.288 19.000 0.076 0.000 1.278 260 A HN -0.046 nan 8.150 nan 0.000 0.412 261 D N 0.452 120.872 120.400 0.033 0.000 2.117 261 D HA 0.146 4.785 4.640 -0.000 0.000 0.197 261 D C 1.408 177.746 176.300 0.064 0.000 0.987 261 D CA 2.751 56.776 54.000 0.042 0.000 0.829 261 D CB 0.209 41.033 40.800 0.039 0.000 0.961 261 D HN 0.757 nan 8.370 nan 0.000 0.460 262 G N -1.025 107.813 108.800 0.064 0.000 3.341 262 G HA2 0.175 4.135 3.960 -0.000 0.000 0.177 262 G HA3 0.175 4.135 3.960 -0.000 0.000 0.177 262 G C -0.178 174.767 174.900 0.075 0.000 1.236 262 G CA -0.499 44.649 45.100 0.080 0.000 0.888 262 G HN -0.027 nan 8.290 nan 0.000 0.644 263 N N 0.651 119.394 118.700 0.073 0.000 2.479 263 N HA 0.173 4.913 4.740 -0.000 0.000 0.257 263 N C 0.234 175.779 175.510 0.057 0.000 1.232 263 N CA 0.205 53.294 53.050 0.065 0.000 0.920 263 N CB 0.827 39.351 38.487 0.063 0.000 1.105 263 N HN 0.276 nan 8.380 nan 0.000 0.444 264 M N 2.079 121.712 119.600 0.056 0.000 2.240 264 M HA 0.161 4.641 4.480 -0.000 0.000 0.333 264 M C -1.698 174.620 176.300 0.030 0.000 1.110 264 M CA -1.190 54.141 55.300 0.051 0.000 1.173 264 M CB 0.177 32.808 32.600 0.053 0.000 1.458 264 M HN 0.292 nan 8.290 nan 0.000 0.458 265 P HA 0.044 nan 4.420 nan 0.000 0.266 265 P C -0.680 176.624 177.300 0.007 0.000 1.195 265 P CA -0.162 62.949 63.100 0.018 0.000 0.768 265 P CB 0.530 32.242 31.700 0.019 0.000 0.838 266 V N 4.101 124.023 119.914 0.012 0.000 2.881 266 V HA 0.083 4.203 4.120 -0.000 0.000 0.303 266 V C 2.269 178.370 176.094 0.011 0.000 1.070 266 V CA -0.097 62.201 62.300 -0.002 0.000 1.074 266 V CB 0.814 32.643 31.823 0.010 0.000 1.012 266 V HN 0.626 nan 8.190 nan 0.000 0.482 267 R N 2.407 122.888 120.500 -0.031 0.000 2.090 267 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 267 R C -0.455 175.992 176.300 0.246 0.000 1.110 267 R CA 0.980 57.081 56.100 0.002 0.000 0.973 267 R CB 0.219 30.390 30.300 -0.215 0.000 0.869 267 R HN 0.605 nan 8.270 nan 0.000 0.440 268 W N 0.088 121.383 121.300 -0.009 0.000 2.785 268 W HA 0.379 5.039 4.660 -0.001 0.000 0.333 268 W C -0.992 175.519 176.519 -0.015 0.000 1.062 268 W CA -1.333 56.008 57.345 -0.008 0.000 1.233 268 W CB 0.842 30.293 29.460 -0.015 0.000 1.413 268 W HN -0.152 nan 8.180 nan 0.000 0.489 269 L N 2.125 123.464 121.223 0.192 0.000 2.334 269 L HA 0.916 5.256 4.340 -0.000 0.000 0.275 269 L C 0.465 177.378 176.870 0.072 0.000 1.036 269 L CA -0.176 54.724 54.840 0.100 0.000 0.807 269 L CB 1.424 43.522 42.059 0.065 0.000 1.231 269 L HN 0.508 nan 8.230 nan 0.000 0.438 270 G N 2.453 111.282 108.800 0.049 0.000 2.646 270 G HA2 0.631 4.590 3.960 -0.000 0.000 0.291 270 G HA3 0.631 4.590 3.960 -0.000 0.000 0.291 270 G C -3.116 171.795 174.900 0.019 0.000 1.445 270 G CA -0.838 44.279 45.100 0.030 0.000 0.814 270 G HN 0.389 nan 8.290 nan 0.000 0.495 271 P HA 0.286 nan 4.420 nan 0.000 0.272 271 P C -0.103 177.197 177.300 -0.000 0.000 1.230 271 P CA -0.340 62.766 63.100 0.010 0.000 0.788 271 P CB 0.777 32.486 31.700 0.015 0.000 0.949 272 K N 0.355 120.749 120.400 -0.011 0.000 2.219 272 K HA 0.451 4.771 4.320 -0.000 0.000 0.258 272 K C 0.417 177.007 176.600 -0.017 0.000 1.008 272 K CA -0.452 55.812 56.287 -0.038 0.000 0.928 272 K CB 0.329 32.804 32.500 -0.041 0.000 0.983 272 K HN 0.562 nan 8.250 nan 0.000 0.484 273 A N 1.253 124.048 122.820 -0.041 0.000 2.346 273 A HA 0.282 4.602 4.320 -0.000 0.000 0.252 273 A C 0.025 177.635 177.584 0.043 0.000 1.089 273 A CA 0.221 52.278 52.037 0.032 0.000 0.797 273 A CB 0.806 19.855 19.000 0.081 0.000 1.047 273 A HN 0.603 nan 8.150 nan 0.000 0.494 274 T N -0.859 113.743 114.554 0.079 0.000 2.883 274 T HA 0.434 4.784 4.350 -0.000 0.000 0.301 274 T C -1.379 173.395 174.700 0.123 0.000 1.158 274 T CA -0.216 61.940 62.100 0.093 0.000 1.007 274 T CB 0.828 69.739 68.868 0.072 0.000 1.186 274 T HN 0.554 nan 8.240 nan 0.000 0.499 275 Y N 3.188 123.502 120.300 0.024 0.000 2.632 275 Y HA 0.167 4.716 4.550 -0.000 0.000 0.329 275 Y C 1.024 176.953 175.900 0.048 0.000 1.174 275 Y CA 0.509 58.597 58.100 -0.020 0.000 1.469 275 Y CB -0.242 38.163 38.460 -0.092 0.000 1.242 275 Y HN 0.869 nan 8.280 nan 0.000 0.540 276 H N 2.262 120.953 119.070 -0.632 0.000 2.861 276 H HA -0.197 4.359 4.556 -0.000 0.000 0.289 276 H C 1.536 176.755 175.328 -0.183 0.000 1.176 276 H CA 0.470 56.238 56.048 -0.465 0.000 1.146 276 H CB -1.423 27.972 29.762 -0.611 0.000 1.330 276 H HN 0.904 nan 8.280 nan 0.000 0.379 277 G N 0.925 109.738 108.800 0.022 0.000 2.469 277 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 277 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 277 G C 1.702 176.616 174.900 0.023 0.000 1.150 277 G CA 0.900 46.022 45.100 0.036 0.000 0.763 277 G HN 0.670 nan 8.290 nan 0.000 0.561 278 N N 1.351 120.060 118.700 0.015 0.000 2.459 278 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 278 N C 1.996 177.491 175.510 -0.024 0.000 1.046 278 N CA 1.514 54.567 53.050 0.004 0.000 0.904 278 N CB -0.266 38.225 38.487 0.005 0.000 0.964 278 N HN 0.533 nan 8.380 nan 0.000 0.444 279 I N -2.074 118.463 120.570 -0.056 0.000 3.339 279 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 279 I C 0.287 176.379 176.117 -0.043 0.000 1.201 279 I CA 0.557 61.812 61.300 -0.075 0.000 1.434 279 I CB -0.407 37.498 38.000 -0.158 0.000 1.152 279 I HN -0.243 nan 8.210 nan 0.000 0.443 280 D N 1.474 121.862 120.400 -0.021 0.000 2.348 280 D HA 0.122 4.762 4.640 -0.000 0.000 0.211 280 D C 0.168 176.476 176.300 0.014 0.000 0.998 280 D CA 0.840 54.843 54.000 0.006 0.000 0.873 280 D CB 0.414 41.232 40.800 0.031 0.000 0.925 280 D HN 0.277 nan 8.370 nan 0.000 0.524 281 K N 0.462 120.870 120.400 0.014 0.000 2.435 281 K HA 0.403 4.722 4.320 -0.000 0.000 0.251 281 K C -2.411 174.199 176.600 0.015 0.000 0.954 281 K CA -1.778 54.520 56.287 0.018 0.000 0.820 281 K CB 2.321 34.837 32.500 0.026 0.000 1.292 281 K HN -0.198 nan 8.250 nan 0.000 0.436 282 P HA 0.091 nan 4.420 nan 0.000 0.271 282 P C -0.907 176.406 177.300 0.022 0.000 1.244 282 P CA -0.466 62.643 63.100 0.015 0.000 0.793 282 P CB 0.546 32.254 31.700 0.012 0.000 0.984 283 A N 0.957 123.792 122.820 0.025 0.000 2.407 283 A HA 0.354 4.673 4.320 -0.000 0.000 0.248 283 A C 0.144 177.755 177.584 0.044 0.000 1.082 283 A CA -0.463 51.597 52.037 0.039 0.000 0.785 283 A CB -0.036 18.988 19.000 0.040 0.000 1.020 283 A HN 0.351 nan 8.150 nan 0.000 0.489 284 V N 1.720 121.670 119.914 0.061 0.000 2.567 284 V HA 0.437 4.557 4.120 -0.000 0.000 0.289 284 V C 0.482 176.631 176.094 0.091 0.000 1.049 284 V CA -0.140 62.195 62.300 0.058 0.000 0.969 284 V CB 1.697 33.550 31.823 0.050 0.000 0.995 284 V HN 0.930 nan 8.190 nan 0.000 0.471 285 T N 3.503 118.095 114.554 0.064 0.000 2.786 285 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 285 T C -0.065 174.652 174.700 0.028 0.000 0.992 285 T CA -0.303 61.848 62.100 0.086 0.000 0.954 285 T CB 0.666 69.545 68.868 0.019 0.000 0.934 285 T HN 0.784 nan 8.240 nan 0.000 0.440 286 c N 2.550 121.160 118.600 0.016 0.000 2.727 286 c HA 0.588 5.158 4.570 -0.000 0.000 0.401 286 c C 1.272 175.200 174.090 -0.271 0.000 1.294 286 c CA -0.380 55.863 56.329 -0.144 0.000 2.134 286 c CB 0.052 42.419 42.510 -0.238 0.000 2.724 286 c HN 0.853 nan 8.230 nan 0.000 0.677 287 T N 1.488 115.905 114.554 -0.228 0.000 2.909 287 T HA 0.471 4.821 4.350 -0.000 0.000 0.299 287 T C -2.837 171.767 174.700 -0.160 0.000 1.073 287 T CA -0.989 60.981 62.100 -0.217 0.000 0.999 287 T CB 1.496 70.309 68.868 -0.092 0.000 1.098 287 T HN 0.372 nan 8.240 nan 0.000 0.477 288 P HA 0.104 nan 4.420 nan 0.000 0.264 288 P C -0.792 176.565 177.300 0.094 0.000 1.183 288 P CA -0.125 63.023 63.100 0.080 0.000 0.763 288 P CB 0.295 32.032 31.700 0.062 0.000 0.807 289 N N 4.829 123.617 118.700 0.147 0.000 2.420 289 N HA 0.094 4.833 4.740 -0.000 0.000 0.262 289 N C -1.704 173.844 175.510 0.062 0.000 1.144 289 N CA -2.152 50.955 53.050 0.094 0.000 0.952 289 N CB 0.201 38.746 38.487 0.097 0.000 1.081 289 N HN 0.159 nan 8.380 nan 0.000 0.480 290 P HA -0.125 nan 4.420 nan 0.000 0.219 290 P C 0.587 177.902 177.300 0.026 0.000 1.146 290 P CA 1.235 64.353 63.100 0.029 0.000 0.808 290 P CB 0.273 31.985 31.700 0.021 0.000 0.779 291 Q N -0.433 119.384 119.800 0.029 0.000 2.451 291 Q HA -0.035 4.304 4.340 -0.000 0.000 0.206 291 Q C 2.125 178.138 176.000 0.022 0.000 0.947 291 Q CA 0.484 56.302 55.803 0.024 0.000 0.937 291 Q CB -0.351 28.401 28.738 0.025 0.000 1.025 291 Q HN 0.479 nan 8.270 nan 0.000 0.511 292 R N 1.001 121.518 120.500 0.027 0.000 2.080 292 R HA -0.119 4.221 4.340 -0.000 0.000 0.236 292 R C 0.396 176.696 176.300 -0.000 0.000 1.137 292 R CA 1.123 57.233 56.100 0.017 0.000 0.943 292 R CB -0.301 30.020 30.300 0.033 0.000 0.846 292 R HN 0.026 nan 8.270 nan 0.000 0.431 293 N N -0.864 117.838 118.700 0.002 0.000 4.530 293 N HA -0.142 4.598 4.740 -0.000 0.000 0.346 293 N C -1.076 174.420 175.510 -0.022 0.000 2.050 293 N CA 0.731 53.776 53.050 -0.008 0.000 2.835 293 N CB -0.608 37.872 38.487 -0.011 0.000 0.390 293 N HN 0.344 nan 8.380 nan 0.000 0.703 294 D N -0.002 120.386 120.400 -0.019 0.000 2.323 294 D HA 0.058 4.698 4.640 -0.000 0.000 0.209 294 D C 1.631 177.909 176.300 -0.037 0.000 0.973 294 D CA 1.588 55.572 54.000 -0.026 0.000 0.874 294 D CB 0.206 40.997 40.800 -0.015 0.000 0.930 294 D HN 0.491 nan 8.370 nan 0.000 0.521 295 S N -1.308 114.372 115.700 -0.033 0.000 2.511 295 S HA 0.140 4.609 4.470 -0.000 0.000 0.214 295 S C 0.569 175.130 174.600 -0.065 0.000 0.997 295 S CA -0.441 57.737 58.200 -0.036 0.000 0.908 295 S CB 0.486 63.679 63.200 -0.011 0.000 0.803 295 S HN -0.111 nan 8.310 nan 0.000 0.504 296 V N 5.113 124.977 119.914 -0.083 0.000 2.394 296 V HA 0.438 4.558 4.120 -0.000 0.000 0.282 296 V C -2.286 173.674 176.094 -0.225 0.000 1.031 296 V CA -2.222 59.997 62.300 -0.135 0.000 0.881 296 V CB 1.282 33.065 31.823 -0.068 0.000 0.982 296 V HN 0.273 nan 8.190 nan 0.000 0.451 297 P HA 0.121 nan 4.420 nan 0.000 0.268 297 P C 0.026 177.159 177.300 -0.279 0.000 1.205 297 P CA 0.083 62.944 63.100 -0.397 0.000 0.771 297 P CB 0.548 31.856 31.700 -0.653 0.000 0.858 298 T N 0.212 114.652 114.554 -0.189 0.000 2.849 298 T HA 0.110 4.460 4.350 -0.000 0.000 0.284 298 T C 1.299 175.915 174.700 -0.140 0.000 1.004 298 T CA -0.766 61.252 62.100 -0.138 0.000 1.021 298 T CB 0.465 69.272 68.868 -0.101 0.000 1.013 298 T HN 0.143 nan 8.240 nan 0.000 0.527 299 L N 1.719 122.873 121.223 -0.116 0.000 2.013 299 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 299 L C 2.763 179.569 176.870 -0.107 0.000 1.073 299 L CA 2.464 57.240 54.840 -0.106 0.000 0.753 299 L CB -1.591 40.406 42.059 -0.104 0.000 0.890 299 L HN 0.954 nan 8.230 nan 0.000 0.432 300 A N -1.627 121.130 122.820 -0.104 0.000 2.019 300 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 300 A C 2.158 179.684 177.584 -0.095 0.000 1.164 300 A CA 1.679 53.659 52.037 -0.095 0.000 0.644 300 A CB -0.424 18.526 19.000 -0.082 0.000 0.805 300 A HN 0.673 nan 8.150 nan 0.000 0.449 301 Q N -0.992 118.744 119.800 -0.107 0.000 2.062 301 Q HA -0.025 4.315 4.340 -0.000 0.000 0.196 301 Q C 2.216 178.143 176.000 -0.122 0.000 0.967 301 Q CA 1.460 57.195 55.803 -0.113 0.000 0.832 301 Q CB -0.254 28.405 28.738 -0.132 0.000 0.899 301 Q HN 0.687 nan 8.270 nan 0.000 0.442 302 M N 0.055 119.573 119.600 -0.137 0.000 2.108 302 M HA -0.181 4.298 4.480 -0.000 0.000 0.261 302 M C 2.176 178.416 176.300 -0.101 0.000 1.066 302 M CA 1.448 56.684 55.300 -0.108 0.000 1.107 302 M CB -0.517 32.035 32.600 -0.080 0.000 1.356 302 M HN 0.206 nan 8.290 nan 0.000 0.406 303 T N -0.132 114.357 114.554 -0.108 0.000 2.720 303 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 303 T C 1.318 175.928 174.700 -0.150 0.000 1.037 303 T CA 1.905 63.931 62.100 -0.123 0.000 1.144 303 T CB -0.399 68.405 68.868 -0.108 0.000 0.864 303 T HN 0.386 nan 8.240 nan 0.000 0.444 304 D N 0.115 120.438 120.400 -0.128 0.000 2.117 304 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 304 D C 2.202 178.413 176.300 -0.147 0.000 0.982 304 D CA 0.835 54.758 54.000 -0.128 0.000 0.828 304 D CB -0.003 40.745 40.800 -0.088 0.000 0.967 304 D HN 0.065 nan 8.370 nan 0.000 0.464 305 K N 0.373 120.696 120.400 -0.127 0.000 2.057 305 K HA 0.065 4.385 4.320 -0.000 0.000 0.206 305 K C 1.768 178.272 176.600 -0.160 0.000 1.050 305 K CA 1.303 57.519 56.287 -0.119 0.000 0.935 305 K CB -0.610 31.840 32.500 -0.084 0.000 0.715 305 K HN 0.085 nan 8.250 nan 0.000 0.439 306 A N 0.704 123.417 122.820 -0.179 0.000 1.883 306 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 306 A C 2.276 179.618 177.584 -0.403 0.000 1.186 306 A CA 1.824 53.717 52.037 -0.241 0.000 0.624 306 A CB -0.737 18.133 19.000 -0.217 0.000 0.822 306 A HN 0.333 nan 8.150 nan 0.000 0.444 307 I N -0.589 119.712 120.570 -0.448 0.000 2.226 307 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 307 I C 2.605 178.385 176.117 -0.562 0.000 1.100 307 I CA 1.765 62.651 61.300 -0.689 0.000 1.374 307 I CB -0.327 37.280 38.000 -0.654 0.000 1.057 307 I HN 0.575 nan 8.210 nan 0.000 0.413 308 E N 1.516 121.517 120.200 -0.332 0.000 2.051 308 E HA -0.230 4.119 4.350 -0.000 0.000 0.192 308 E C 2.361 178.852 176.600 -0.182 0.000 0.991 308 E CA 1.365 57.644 56.400 -0.202 0.000 0.799 308 E CB -0.058 29.566 29.700 -0.126 0.000 0.748 308 E HN 0.464 nan 8.360 nan 0.000 0.449 309 L N 0.270 121.374 121.223 -0.198 0.000 2.093 309 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 309 L C 2.488 179.245 176.870 -0.189 0.000 1.085 309 L CA 0.388 55.134 54.840 -0.156 0.000 0.755 309 L CB -0.230 41.749 42.059 -0.135 0.000 0.904 309 L HN 0.220 nan 8.230 nan 0.000 0.435 310 L N -0.458 120.557 121.223 -0.347 0.000 2.240 310 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 310 L C 2.678 179.394 176.870 -0.258 0.000 1.106 310 L CA 1.483 56.070 54.840 -0.422 0.000 0.793 310 L CB -0.655 40.869 42.059 -0.892 0.000 0.927 310 L HN 0.280 nan 8.230 nan 0.000 0.446 311 S N -1.755 113.815 115.700 -0.216 0.000 2.555 311 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 311 S C 1.681 176.366 174.600 0.141 0.000 0.978 311 S CA 0.190 58.479 58.200 0.149 0.000 0.934 311 S CB -0.263 63.042 63.200 0.175 0.000 0.766 311 S HN 0.302 nan 8.310 nan 0.000 0.533 312 K N 2.062 122.493 120.400 0.051 0.000 2.217 312 K HA 0.083 4.402 4.320 -0.000 0.000 0.202 312 K C 0.649 177.292 176.600 0.071 0.000 1.051 312 K CA 0.115 56.433 56.287 0.052 0.000 0.952 312 K CB -0.770 31.739 32.500 0.015 0.000 0.736 312 K HN 0.431 nan 8.250 nan 0.000 0.453 313 N N 2.877 121.632 118.700 0.091 0.000 2.438 313 N HA -0.065 4.675 4.740 -0.000 0.000 0.267 313 N C 0.627 176.205 175.510 0.113 0.000 1.222 313 N CA 0.295 53.403 53.050 0.097 0.000 0.930 313 N CB 0.775 39.334 38.487 0.120 0.000 1.083 313 N HN 0.158 nan 8.380 nan 0.000 0.476 314 E N 3.300 123.546 120.200 0.078 0.000 2.118 314 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 314 E C 0.804 177.443 176.600 0.065 0.000 0.992 314 E CA 0.976 57.416 56.400 0.067 0.000 0.804 314 E CB 0.135 29.862 29.700 0.046 0.000 0.741 314 E HN 0.551 nan 8.360 nan 0.000 0.458 315 K N 0.365 120.803 120.400 0.063 0.000 2.365 315 K HA 0.056 4.376 4.320 -0.000 0.000 0.199 315 K C 1.074 177.707 176.600 0.054 0.000 1.045 315 K CA 0.834 57.151 56.287 0.050 0.000 0.962 315 K CB 0.477 33.005 32.500 0.046 0.000 0.759 315 K HN 0.240 nan 8.250 nan 0.000 0.469 316 G N 0.876 109.733 108.800 0.094 0.000 2.353 316 G HA2 0.087 4.047 3.960 -0.000 0.000 0.615 316 G HA3 0.087 4.047 3.960 -0.000 0.000 0.615 316 G C -1.265 173.752 174.900 0.195 0.000 1.280 316 G CA -0.620 44.522 45.100 0.070 0.000 1.000 316 G HN 0.129 nan 8.290 nan 0.000 0.516 317 F N -2.110 117.887 119.950 0.078 0.000 2.686 317 F HA 0.879 5.406 4.527 -0.001 0.000 0.311 317 F C -1.395 174.484 175.800 0.131 0.000 1.128 317 F CA -2.234 55.816 58.000 0.082 0.000 0.946 317 F CB 1.567 40.583 39.000 0.026 0.000 1.336 317 F HN 1.052 nan 8.300 nan 0.000 0.457 318 F N 3.659 123.798 119.950 0.316 0.000 2.518 318 F HA 0.810 5.337 4.527 -0.000 0.000 0.323 318 F C -2.210 173.755 175.800 0.276 0.000 1.129 318 F CA -1.221 56.902 58.000 0.204 0.000 0.920 318 F CB 1.823 40.881 39.000 0.097 0.000 1.160 318 F HN 0.747 nan 8.300 nan 0.000 0.440 319 L N 5.898 126.754 121.223 -0.612 0.000 2.410 319 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 319 L C -1.485 174.938 176.870 -0.745 0.000 0.983 319 L CA -0.287 54.255 54.840 -0.496 0.000 0.822 319 L CB 2.021 43.992 42.059 -0.147 0.000 1.285 319 L HN 0.788 nan 8.230 nan 0.000 0.409 320 Q N 3.562 123.061 119.800 -0.501 0.000 2.316 320 Q HA 0.749 5.089 4.340 -0.000 0.000 0.264 320 Q C -1.894 174.032 176.000 -0.124 0.000 0.987 320 Q CA -0.742 54.908 55.803 -0.255 0.000 0.852 320 Q CB 1.934 30.684 28.738 0.020 0.000 1.287 320 Q HN 0.644 nan 8.270 nan 0.000 0.448 321 V N 3.838 123.684 119.914 -0.113 0.000 2.483 321 V HA 0.383 4.502 4.120 -0.000 0.000 0.297 321 V C -0.730 175.322 176.094 -0.070 0.000 1.027 321 V CA -0.717 61.532 62.300 -0.085 0.000 0.855 321 V CB 1.681 33.442 31.823 -0.103 0.000 0.995 321 V HN 0.800 nan 8.190 nan 0.000 0.424 322 E N 3.081 123.259 120.200 -0.037 0.000 2.165 322 E HA 0.503 4.853 4.350 -0.000 0.000 0.266 322 E C 0.127 176.704 176.600 -0.039 0.000 0.889 322 E CA -0.560 55.824 56.400 -0.026 0.000 0.756 322 E CB 1.858 31.574 29.700 0.027 0.000 1.131 322 E HN 0.868 nan 8.360 nan 0.000 0.411 323 G N 3.236 111.996 108.800 -0.066 0.000 2.770 323 G HA2 0.313 4.273 3.960 -0.000 0.000 0.307 323 G HA3 0.313 4.273 3.960 -0.000 0.000 0.307 323 G C 0.727 175.598 174.900 -0.048 0.000 0.863 323 G CA 0.269 45.324 45.100 -0.076 0.000 1.595 323 G HN 0.564 nan 8.290 nan 0.000 0.496 324 A N 2.051 124.860 122.820 -0.018 0.000 1.929 324 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 324 A C 2.363 179.963 177.584 0.027 0.000 1.176 324 A CA 1.649 53.696 52.037 0.017 0.000 0.628 324 A CB 0.033 19.055 19.000 0.036 0.000 0.816 324 A HN 0.484 nan 8.150 nan 0.000 0.444 325 S N -0.388 115.315 115.700 0.005 0.000 2.575 325 S HA 0.180 4.650 4.470 -0.000 0.000 0.215 325 S C 1.432 176.029 174.600 -0.006 0.000 0.966 325 S CA -0.030 58.179 58.200 0.016 0.000 0.911 325 S CB -0.396 62.806 63.200 0.004 0.000 0.780 325 S HN 0.525 nan 8.310 nan 0.000 0.514 326 I N 1.859 122.409 120.570 -0.033 0.000 2.151 326 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 326 I C 2.389 178.483 176.117 -0.039 0.000 1.080 326 I CA 1.774 63.043 61.300 -0.052 0.000 1.339 326 I CB -0.391 37.568 38.000 -0.067 0.000 1.039 326 I HN 0.295 nan 8.210 nan 0.000 0.409 327 D N 0.921 121.335 120.400 0.024 0.000 2.123 327 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 327 D C 2.156 178.539 176.300 0.139 0.000 0.992 327 D CA 1.502 55.571 54.000 0.115 0.000 0.833 327 D CB 0.101 41.029 40.800 0.213 0.000 0.954 327 D HN 0.218 nan 8.370 nan 0.000 0.455 328 K N -0.547 119.951 120.400 0.163 0.000 2.097 328 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 328 K C 2.227 178.902 176.600 0.125 0.000 1.050 328 K CA 0.772 57.185 56.287 0.210 0.000 0.938 328 K CB 0.010 32.595 32.500 0.141 0.000 0.718 328 K HN 0.236 nan 8.250 nan 0.000 0.442 329 Q N 0.777 120.597 119.800 0.033 0.000 2.245 329 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 329 Q C 1.582 177.536 176.000 -0.076 0.000 0.955 329 Q CA 0.968 56.761 55.803 -0.017 0.000 0.870 329 Q CB -0.063 28.660 28.738 -0.025 0.000 0.945 329 Q HN 0.321 nan 8.270 nan 0.000 0.461 330 D N 0.122 120.436 120.400 -0.142 0.000 2.144 330 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 330 D C 1.653 177.829 176.300 -0.205 0.000 0.978 330 D CA 0.822 54.663 54.000 -0.264 0.000 0.833 330 D CB 0.266 40.556 40.800 -0.850 0.000 0.961 330 D HN 0.265 nan 8.370 nan 0.000 0.470 331 H N 0.283 119.320 119.070 -0.055 0.000 2.319 331 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 331 H C 1.747 177.069 175.328 -0.011 0.000 1.092 331 H CA 1.399 57.513 56.048 0.109 0.000 1.302 331 H CB -0.294 29.572 29.762 0.173 0.000 1.373 331 H HN 0.138 nan 8.280 nan 0.000 0.497 332 A N 0.459 123.321 122.820 0.069 0.000 2.239 332 A HA 0.299 4.619 4.320 -0.000 0.000 0.209 332 A C 1.511 178.976 177.584 -0.199 0.000 1.171 332 A CA 0.886 52.899 52.037 -0.040 0.000 0.768 332 A CB -0.577 18.405 19.000 -0.030 0.000 0.790 332 A HN 0.480 nan 8.150 nan 0.000 0.478 333 A N -0.198 122.359 122.820 -0.437 0.000 2.640 333 A HA -0.194 4.126 4.320 -0.000 0.000 0.300 333 A C 0.250 177.455 177.584 -0.632 0.000 1.499 333 A CA 0.942 52.372 52.037 -1.011 0.000 0.759 333 A CB -2.257 16.354 19.000 -0.648 0.000 1.048 333 A HN 0.633 nan 8.150 nan 0.000 0.450 334 N N -0.426 118.051 118.700 -0.371 0.000 2.706 334 N HA 0.396 5.136 4.740 -0.000 0.000 0.240 334 N C -1.824 173.663 175.510 -0.038 0.000 1.039 334 N CA -1.767 51.196 53.050 -0.145 0.000 0.888 334 N CB 1.210 39.651 38.487 -0.078 0.000 1.128 334 N HN 0.072 nan 8.380 nan 0.000 0.512 335 P HA -0.100 nan 4.420 nan 0.000 0.214 335 P C 1.312 178.629 177.300 0.028 0.000 1.163 335 P CA 1.137 64.306 63.100 0.115 0.000 0.889 335 P CB 0.371 32.150 31.700 0.131 0.000 0.790 336 c N -1.056 117.554 118.600 0.017 0.000 2.429 336 c HA -0.047 4.523 4.570 -0.000 0.000 0.277 336 c C 2.973 177.127 174.090 0.107 0.000 1.262 336 c CA 1.509 57.880 56.329 0.070 0.000 1.733 336 c CB -2.061 40.501 42.510 0.086 0.000 2.010 336 c HN 0.319 nan 8.230 nan 0.000 0.483 337 G N -0.717 108.114 108.800 0.052 0.000 2.440 337 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 337 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 337 G C 1.572 176.448 174.900 -0.040 0.000 1.154 337 G CA 1.011 46.120 45.100 0.016 0.000 0.767 337 G HN 0.676 nan 8.290 nan 0.000 0.552 338 Q N -0.195 119.588 119.800 -0.028 0.000 2.020 338 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 338 Q C 2.615 178.563 176.000 -0.086 0.000 0.982 338 Q CA 1.303 57.080 55.803 -0.043 0.000 0.838 338 Q CB -0.202 28.543 28.738 0.011 0.000 0.899 338 Q HN 0.553 nan 8.270 nan 0.000 0.423 339 I N 0.126 120.649 120.570 -0.079 0.000 2.252 339 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 339 I C 2.346 178.244 176.117 -0.365 0.000 1.102 339 I CA 1.012 62.244 61.300 -0.113 0.000 1.385 339 I CB -0.555 37.425 38.000 -0.035 0.000 1.064 339 I HN 0.364 nan 8.210 nan 0.000 0.414 340 G N 0.430 108.891 108.800 -0.564 0.000 2.442 340 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 340 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 340 G C 1.522 176.043 174.900 -0.632 0.000 1.141 340 G CA 0.585 45.003 45.100 -1.137 0.000 0.763 340 G HN 0.280 nan 8.290 nan 0.000 0.554 341 E N 0.461 120.448 120.200 -0.354 0.000 2.208 341 E HA -0.051 4.298 4.350 -0.000 0.000 0.193 341 E C 2.718 179.167 176.600 -0.252 0.000 0.988 341 E CA 1.076 57.325 56.400 -0.251 0.000 0.828 341 E CB -0.644 28.963 29.700 -0.155 0.000 0.763 341 E HN 0.360 nan 8.360 nan 0.000 0.478 342 T N 0.978 115.379 114.554 -0.255 0.000 2.777 342 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 342 T C 2.159 176.625 174.700 -0.389 0.000 1.040 342 T CA 0.894 62.831 62.100 -0.271 0.000 1.141 342 T CB -0.182 68.579 68.868 -0.179 0.000 0.868 342 T HN -0.032 nan 8.240 nan 0.000 0.444 343 V N 1.843 121.536 119.914 -0.368 0.000 2.343 343 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 343 V C 2.411 178.327 176.094 -0.296 0.000 1.051 343 V CA 1.982 64.090 62.300 -0.319 0.000 1.036 343 V CB -0.610 31.032 31.823 -0.302 0.000 0.654 343 V HN 0.482 nan 8.190 nan 0.000 0.451 344 D N -0.270 119.943 120.400 -0.311 0.000 2.104 344 D HA -0.212 4.427 4.640 -0.000 0.000 0.194 344 D C 1.948 178.120 176.300 -0.214 0.000 0.994 344 D CA 1.545 55.404 54.000 -0.236 0.000 0.830 344 D CB -0.134 40.525 40.800 -0.235 0.000 0.959 344 D HN 0.304 nan 8.370 nan 0.000 0.452 345 L N 0.393 121.469 121.223 -0.245 0.000 2.056 345 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 345 L C 1.724 178.437 176.870 -0.261 0.000 1.078 345 L CA 1.969 56.672 54.840 -0.229 0.000 0.749 345 L CB -0.893 41.029 42.059 -0.229 0.000 0.901 345 L HN 0.051 nan 8.230 nan 0.000 0.433 346 D N -0.544 119.636 120.400 -0.366 0.000 2.116 346 D HA -0.276 4.363 4.640 -0.000 0.000 0.193 346 D C 1.984 178.148 176.300 -0.226 0.000 0.998 346 D CA 1.826 55.595 54.000 -0.386 0.000 0.836 346 D CB -0.026 40.407 40.800 -0.611 0.000 0.951 346 D HN 0.542 nan 8.370 nan 0.000 0.449 347 E N -0.430 119.663 120.200 -0.179 0.000 2.085 347 E HA -0.210 4.139 4.350 -0.000 0.000 0.194 347 E C 2.133 178.666 176.600 -0.111 0.000 0.994 347 E CA 1.059 57.389 56.400 -0.117 0.000 0.801 347 E CB -0.208 29.434 29.700 -0.096 0.000 0.743 347 E HN 0.426 nan 8.360 nan 0.000 0.453 348 A N 0.600 123.343 122.820 -0.127 0.000 1.930 348 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 348 A C 2.447 179.969 177.584 -0.104 0.000 1.175 348 A CA 1.098 53.068 52.037 -0.112 0.000 0.627 348 A CB -0.505 18.423 19.000 -0.120 0.000 0.815 348 A HN 0.130 nan 8.150 nan 0.000 0.443 349 V N -0.007 119.831 119.914 -0.128 0.000 2.407 349 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 349 V C 2.602 178.639 176.094 -0.095 0.000 1.055 349 V CA 2.162 64.392 62.300 -0.116 0.000 1.049 349 V CB -0.904 30.826 31.823 -0.155 0.000 0.662 349 V HN 0.628 nan 8.190 nan 0.000 0.455 350 Q N -0.523 119.218 119.800 -0.098 0.000 2.084 350 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 350 Q C 2.596 178.571 176.000 -0.041 0.000 0.978 350 Q CA 1.259 57.017 55.803 -0.075 0.000 0.844 350 Q CB -0.203 28.494 28.738 -0.067 0.000 0.898 350 Q HN 0.508 nan 8.270 nan 0.000 0.426 351 R N 0.519 120.998 120.500 -0.035 0.000 2.080 351 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 351 R C 2.222 178.543 176.300 0.036 0.000 1.137 351 R CA 1.464 57.559 56.100 -0.007 0.000 0.943 351 R CB -1.210 29.071 30.300 -0.032 0.000 0.846 351 R HN 0.288 nan 8.270 nan 0.000 0.431 352 A N 1.231 124.063 122.820 0.019 0.000 1.917 352 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 352 A C 2.273 179.934 177.584 0.129 0.000 1.182 352 A CA 1.383 53.468 52.037 0.079 0.000 0.633 352 A CB -0.552 18.465 19.000 0.028 0.000 0.819 352 A HN 0.164 nan 8.150 nan 0.000 0.448 353 L N 0.256 121.497 121.223 0.031 0.000 2.109 353 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 353 L C 2.526 179.380 176.870 -0.026 0.000 1.086 353 L CA 2.026 56.840 54.840 -0.042 0.000 0.760 353 L CB -0.625 41.354 42.059 -0.134 0.000 0.910 353 L HN 0.521 nan 8.230 nan 0.000 0.437 354 E N -1.254 118.955 120.200 0.016 0.000 2.106 354 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 354 E C 2.232 178.884 176.600 0.087 0.000 0.984 354 E CA 1.315 57.733 56.400 0.029 0.000 0.806 354 E CB -0.743 28.980 29.700 0.038 0.000 0.750 354 E HN 0.471 nan 8.360 nan 0.000 0.458 355 F N 2.510 122.470 119.950 0.016 0.000 2.084 355 F HA -0.064 4.462 4.527 -0.000 0.000 0.296 355 F C 2.496 178.339 175.800 0.072 0.000 1.111 355 F CA 1.605 59.635 58.000 0.049 0.000 1.224 355 F CB -0.480 38.563 39.000 0.072 0.000 0.991 355 F HN -0.003 nan 8.300 nan 0.000 0.471 356 A N 0.099 122.950 122.820 0.052 0.000 1.940 356 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 356 A C 2.283 179.881 177.584 0.023 0.000 1.176 356 A CA 1.999 54.031 52.037 -0.009 0.000 0.631 356 A CB -0.906 18.242 19.000 0.247 0.000 0.814 356 A HN 0.520 nan 8.150 nan 0.000 0.446 357 K N 0.260 120.692 120.400 0.054 0.000 2.097 357 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 357 K C 2.073 178.662 176.600 -0.017 0.000 1.050 357 K CA 1.677 58.008 56.287 0.074 0.000 0.938 357 K CB -0.112 32.369 32.500 -0.031 0.000 0.718 357 K HN 0.668 nan 8.250 nan 0.000 0.442 358 K N -0.359 119.981 120.400 -0.100 0.000 2.137 358 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 358 K C 1.898 178.394 176.600 -0.173 0.000 1.052 358 K CA 0.814 57.036 56.287 -0.107 0.000 0.961 358 K CB -0.021 32.430 32.500 -0.082 0.000 0.741 358 K HN -0.022 nan 8.250 nan 0.000 0.452 359 E N 1.002 120.991 120.200 -0.351 0.000 2.106 359 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 359 E C 1.216 177.693 176.600 -0.204 0.000 0.984 359 E CA 1.573 57.752 56.400 -0.369 0.000 0.806 359 E CB -0.075 29.164 29.700 -0.768 0.000 0.750 359 E HN 0.620 nan 8.360 nan 0.000 0.458 360 G N 0.788 109.497 108.800 -0.152 0.000 2.225 360 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 360 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 360 G C 0.607 175.445 174.900 -0.103 0.000 0.988 360 G CA 0.482 45.525 45.100 -0.095 0.000 0.625 360 G HN 0.375 nan 8.290 nan 0.000 0.527 361 N N 0.594 119.223 118.700 -0.118 0.000 2.451 361 N HA 0.174 4.913 4.740 -0.000 0.000 0.271 361 N C -0.620 174.829 175.510 -0.100 0.000 1.410 361 N CA 0.180 53.172 53.050 -0.095 0.000 0.884 361 N CB 1.265 39.707 38.487 -0.076 0.000 1.332 361 N HN 0.279 nan 8.380 nan 0.000 0.498 362 T N 1.472 115.969 114.554 -0.095 0.000 2.823 362 T HA 0.365 4.715 4.350 -0.000 0.000 0.279 362 T C -0.377 174.299 174.700 -0.040 0.000 0.998 362 T CA -0.448 61.615 62.100 -0.062 0.000 0.994 362 T CB 2.144 71.032 68.868 0.034 0.000 0.960 362 T HN 0.028 nan 8.240 nan 0.000 0.448 363 L N 4.590 125.791 121.223 -0.035 0.000 2.289 363 L HA 0.681 5.021 4.340 -0.000 0.000 0.285 363 L C -0.969 175.918 176.870 0.028 0.000 1.049 363 L CA -0.326 54.504 54.840 -0.015 0.000 0.804 363 L CB 0.939 42.992 42.059 -0.009 0.000 1.195 363 L HN 0.427 nan 8.230 nan 0.000 0.428 364 V N 6.914 126.872 119.914 0.074 0.000 2.448 364 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 364 V C -0.155 175.961 176.094 0.037 0.000 1.025 364 V CA -0.346 62.001 62.300 0.077 0.000 0.859 364 V CB 1.510 33.426 31.823 0.155 0.000 0.988 364 V HN 0.636 nan 8.190 nan 0.000 0.431 365 I N 4.898 125.456 120.570 -0.020 0.000 2.465 365 I HA 0.570 4.740 4.170 -0.000 0.000 0.291 365 I C -0.616 175.437 176.117 -0.107 0.000 1.014 365 I CA -0.586 60.678 61.300 -0.060 0.000 1.093 365 I CB 2.277 40.229 38.000 -0.080 0.000 1.267 365 I HN 0.280 nan 8.210 nan 0.000 0.431 366 V N 5.025 124.866 119.914 -0.122 0.000 2.443 366 V HA 0.710 4.830 4.120 -0.000 0.000 0.293 366 V C -0.161 175.821 176.094 -0.187 0.000 1.021 366 V CA -0.200 62.010 62.300 -0.150 0.000 0.848 366 V CB 1.575 33.323 31.823 -0.125 0.000 0.998 366 V HN 0.890 nan 8.190 nan 0.000 0.424 367 T N 3.024 117.444 114.554 -0.224 0.000 2.637 367 T HA 0.870 5.220 4.350 -0.000 0.000 0.303 367 T C -1.490 173.090 174.700 -0.200 0.000 1.288 367 T CA 0.338 62.292 62.100 -0.244 0.000 1.040 367 T CB 1.921 70.559 68.868 -0.384 0.000 1.644 367 T HN 1.058 nan 8.240 nan 0.000 0.480 368 A N 0.537 123.273 122.820 -0.139 0.000 2.515 368 A HA 0.648 4.968 4.320 -0.000 0.000 0.296 368 A C 0.331 177.920 177.584 0.007 0.000 1.094 368 A CA -0.012 51.955 52.037 -0.117 0.000 0.718 368 A CB 1.345 20.269 19.000 -0.127 0.000 1.307 368 A HN 0.860 nan 8.150 nan 0.000 0.408 369 D N -0.120 120.241 120.400 -0.065 0.000 2.269 369 D HA 0.101 4.741 4.640 -0.000 0.000 0.208 369 D C 0.444 176.589 176.300 -0.259 0.000 0.963 369 D CA 1.917 55.962 54.000 0.074 0.000 0.864 369 D CB -0.284 40.632 40.800 0.193 0.000 0.936 369 D HN 0.845 nan 8.370 nan 0.000 0.505 370 H N -2.965 115.894 119.070 -0.352 0.000 2.921 370 H HA 0.678 5.233 4.556 -0.001 0.000 0.287 370 H C -1.413 173.703 175.328 -0.353 0.000 1.434 370 H CA -0.914 54.643 56.048 -0.819 0.000 1.178 370 H CB 0.492 29.930 29.762 -0.541 0.000 1.836 370 H HN 0.051 nan 8.280 nan 0.000 0.495 371 A N 0.300 123.178 122.820 0.097 0.000 2.274 371 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 371 A C -0.455 177.275 177.584 0.244 0.000 1.191 371 A CA -0.087 52.061 52.037 0.185 0.000 0.889 371 A CB 0.617 19.751 19.000 0.224 0.000 1.294 371 A HN 0.816 nan 8.150 nan 0.000 0.506 372 H N -3.087 116.064 119.070 0.135 0.000 3.448 372 H HA 0.624 5.180 4.556 -0.000 0.000 0.311 372 H C 1.046 176.431 175.328 0.095 0.000 1.666 372 H CA 0.239 56.356 56.048 0.115 0.000 1.221 372 H CB 1.425 31.229 29.762 0.069 0.000 1.749 372 H HN 0.603 nan 8.280 nan 0.000 0.659 373 A N 0.225 123.334 122.820 0.483 0.000 1.903 373 A HA 0.041 4.360 4.320 -0.000 0.000 0.213 373 A C 0.788 178.394 177.584 0.036 0.000 1.185 373 A CA 0.971 53.170 52.037 0.271 0.000 0.628 373 A CB -0.680 18.552 19.000 0.387 0.000 0.830 373 A HN 0.538 nan 8.150 nan 0.000 0.446 374 S N 0.086 115.707 115.700 -0.130 0.000 2.562 374 S HA 0.429 4.899 4.470 -0.000 0.000 0.281 374 S C -0.350 174.116 174.600 -0.224 0.000 1.333 374 S CA -0.328 57.595 58.200 -0.462 0.000 1.052 374 S CB 0.690 63.545 63.200 -0.575 0.000 0.884 374 S HN 0.497 nan 8.310 nan 0.000 0.506 375 Q N 1.074 120.722 119.800 -0.254 0.000 2.372 375 Q HA 0.502 4.842 4.340 -0.000 0.000 0.273 375 Q C -1.094 174.842 176.000 -0.107 0.000 1.078 375 Q CA -0.586 55.146 55.803 -0.118 0.000 0.806 375 Q CB 2.283 30.980 28.738 -0.068 0.000 1.332 375 Q HN 0.727 nan 8.270 nan 0.000 0.435 376 I N 2.969 123.509 120.570 -0.049 0.000 2.312 376 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 376 I C 0.083 176.194 176.117 -0.010 0.000 1.031 376 I CA -0.549 60.739 61.300 -0.021 0.000 1.293 376 I CB 0.593 38.595 38.000 0.004 0.000 1.403 376 I HN 0.313 nan 8.210 nan 0.000 0.484 377 V N 3.198 123.108 119.914 -0.006 0.000 3.158 377 V HA 0.857 4.977 4.120 -0.000 0.000 0.315 377 V C 0.330 176.428 176.094 0.007 0.000 1.148 377 V CA -1.102 61.199 62.300 0.002 0.000 1.042 377 V CB 1.487 33.312 31.823 0.003 0.000 1.101 377 V HN 0.706 nan 8.190 nan 0.000 0.448 378 A N 0.892 123.716 122.820 0.006 0.000 2.425 378 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 378 A C -1.360 176.226 177.584 0.003 0.000 1.077 378 A CA -0.781 51.259 52.037 0.005 0.000 0.781 378 A CB -0.326 18.675 19.000 0.002 0.000 1.020 378 A HN 0.827 nan 8.150 nan 0.000 0.494 379 P HA -0.147 nan 4.420 nan 0.000 0.218 379 P C 0.494 177.786 177.300 -0.013 0.000 1.148 379 P CA 1.610 64.709 63.100 -0.001 0.000 0.822 379 P CB 0.057 31.757 31.700 -0.000 0.000 0.784 380 D N -2.435 117.954 120.400 -0.018 0.000 2.319 380 D HA -0.005 4.635 4.640 -0.000 0.000 0.230 380 D C -0.128 176.150 176.300 -0.038 0.000 1.094 380 D CA 0.192 54.173 54.000 -0.032 0.000 0.856 380 D CB -1.000 39.784 40.800 -0.027 0.000 0.915 380 D HN 0.025 nan 8.370 nan 0.000 0.517 381 T N 1.442 115.983 114.554 -0.023 0.000 2.902 381 T HA 0.032 4.381 4.350 -0.000 0.000 0.301 381 T C 0.461 175.140 174.700 -0.034 0.000 1.012 381 T CA 0.098 62.191 62.100 -0.013 0.000 1.151 381 T CB 1.070 69.942 68.868 0.007 0.000 0.946 381 T HN -0.007 nan 8.240 nan 0.000 0.542 382 K N 2.806 123.192 120.400 -0.023 0.000 2.300 382 K HA 0.540 4.860 4.320 -0.000 0.000 0.264 382 K C -0.259 176.413 176.600 0.120 0.000 1.083 382 K CA -0.358 55.916 56.287 -0.021 0.000 0.958 382 K CB 1.172 33.650 32.500 -0.037 0.000 1.318 382 K HN 0.654 nan 8.250 nan 0.000 0.448 383 A N 3.341 126.258 122.820 0.162 0.000 2.311 383 A HA 0.531 4.850 4.320 -0.000 0.000 0.334 383 A C -1.676 176.033 177.584 0.209 0.000 1.139 383 A CA -1.300 50.830 52.037 0.154 0.000 0.830 383 A CB 0.616 19.683 19.000 0.112 0.000 1.234 383 A HN 0.391 nan 8.150 nan 0.000 0.483 384 P HA 0.051 nan 4.420 nan 0.000 0.227 384 P C 0.946 178.392 177.300 0.244 0.000 1.161 384 P CA 1.276 64.520 63.100 0.240 0.000 0.788 384 P CB 0.272 32.056 31.700 0.139 0.000 0.822 385 G N 0.525 109.445 108.800 0.200 0.000 2.829 385 G HA2 0.467 4.426 3.960 -0.000 0.000 0.173 385 G HA3 0.467 4.426 3.960 -0.000 0.000 0.173 385 G C -0.484 174.556 174.900 0.233 0.000 1.476 385 G CA -0.601 44.617 45.100 0.196 0.000 1.072 385 G HN 0.047 nan 8.290 nan 0.000 0.577 386 L N 1.228 122.581 121.223 0.216 0.000 2.275 386 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 386 L C 0.206 177.222 176.870 0.242 0.000 1.046 386 L CA -0.563 54.402 54.840 0.208 0.000 0.805 386 L CB 1.442 43.601 42.059 0.166 0.000 1.193 386 L HN 0.644 nan 8.230 nan 0.000 0.426 387 T N 0.256 114.914 114.554 0.173 0.000 2.906 387 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 387 T C -0.847 173.929 174.700 0.127 0.000 1.075 387 T CA -0.864 61.326 62.100 0.151 0.000 1.005 387 T CB 2.718 71.639 68.868 0.090 0.000 1.136 387 T HN 0.608 nan 8.240 nan 0.000 0.498 388 Q N -0.082 119.790 119.800 0.120 0.000 2.353 388 Q HA 0.628 4.967 4.340 -0.000 0.000 0.275 388 Q C -1.948 174.100 176.000 0.079 0.000 1.029 388 Q CA -1.003 54.857 55.803 0.095 0.000 0.848 388 Q CB 2.246 31.051 28.738 0.111 0.000 1.390 388 Q HN 1.144 nan 8.270 nan 0.000 0.401 389 A N 3.272 126.130 122.820 0.063 0.000 2.312 389 A HA 0.806 5.126 4.320 -0.000 0.000 0.326 389 A C -1.365 176.268 177.584 0.081 0.000 1.172 389 A CA -0.453 51.621 52.037 0.062 0.000 0.821 389 A CB 0.682 19.707 19.000 0.042 0.000 1.166 389 A HN 0.617 nan 8.150 nan 0.000 0.493 390 L N 1.680 122.968 121.223 0.109 0.000 2.408 390 L HA 0.351 4.690 4.340 -0.000 0.000 0.268 390 L C -0.397 176.580 176.870 0.178 0.000 0.986 390 L CA -0.420 54.525 54.840 0.175 0.000 0.820 390 L CB 2.327 44.530 42.059 0.239 0.000 1.303 390 L HN 0.787 nan 8.230 nan 0.000 0.411 391 N N 0.830 119.631 118.700 0.169 0.000 2.406 391 N HA 0.320 5.060 4.740 -0.000 0.000 0.251 391 N C -0.219 175.259 175.510 -0.053 0.000 1.069 391 N CA -0.376 52.707 53.050 0.055 0.000 0.947 391 N CB 0.955 39.451 38.487 0.014 0.000 1.111 391 N HN 0.661 nan 8.380 nan 0.000 0.497 392 T N -1.066 113.418 114.554 -0.117 0.000 2.824 392 T HA 0.162 4.512 4.350 -0.000 0.000 0.277 392 T C 1.286 175.780 174.700 -0.344 0.000 0.975 392 T CA -0.714 61.185 62.100 -0.335 0.000 0.966 392 T CB 1.281 70.074 68.868 -0.125 0.000 1.054 392 T HN 0.255 nan 8.240 nan 0.000 0.533 393 K N 0.112 120.279 120.400 -0.389 0.000 2.218 393 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 393 K C 1.034 177.547 176.600 -0.146 0.000 1.046 393 K CA 1.574 57.717 56.287 -0.242 0.000 0.933 393 K CB -0.422 31.967 32.500 -0.185 0.000 0.728 393 K HN 0.604 nan 8.250 nan 0.000 0.454 394 D N -0.579 119.750 120.400 -0.119 0.000 2.349 394 D HA 0.003 4.643 4.640 -0.000 0.000 0.224 394 D C 0.850 177.111 176.300 -0.066 0.000 1.029 394 D CA 0.804 54.759 54.000 -0.076 0.000 0.879 394 D CB 0.210 40.976 40.800 -0.056 0.000 0.906 394 D HN 0.418 nan 8.370 nan 0.000 0.528 395 G N 0.655 109.406 108.800 -0.081 0.000 2.176 395 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.252 395 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.252 395 G C 0.315 175.189 174.900 -0.043 0.000 1.024 395 G CA 0.402 45.465 45.100 -0.062 0.000 0.755 395 G HN 0.638 nan 8.290 nan 0.000 0.507 396 A N -1.563 121.232 122.820 -0.040 0.000 2.437 396 A HA 0.929 5.249 4.320 -0.000 0.000 0.292 396 A C -0.233 177.348 177.584 -0.005 0.000 1.173 396 A CA -0.289 51.736 52.037 -0.020 0.000 0.785 396 A CB 1.930 20.920 19.000 -0.016 0.000 1.351 396 A HN 1.148 nan 8.150 nan 0.000 0.431 397 V N 1.218 121.138 119.914 0.009 0.000 2.427 397 V HA 0.532 4.651 4.120 -0.000 0.000 0.286 397 V C -0.061 176.056 176.094 0.039 0.000 1.034 397 V CA -0.150 62.167 62.300 0.029 0.000 0.893 397 V CB 1.298 33.134 31.823 0.022 0.000 0.982 397 V HN 0.873 nan 8.190 nan 0.000 0.452 398 M N 5.577 125.217 119.600 0.068 0.000 2.321 398 M HA 0.666 5.146 4.480 -0.000 0.000 0.315 398 M C -1.675 174.667 176.300 0.069 0.000 1.052 398 M CA -0.446 54.896 55.300 0.071 0.000 0.936 398 M CB 1.855 34.518 32.600 0.105 0.000 1.639 398 M HN 0.424 nan 8.290 nan 0.000 0.433 399 V N 5.913 125.855 119.914 0.046 0.000 2.513 399 V HA 0.557 4.677 4.120 -0.000 0.000 0.299 399 V C -0.396 175.713 176.094 0.026 0.000 1.035 399 V CA -0.524 61.801 62.300 0.042 0.000 0.889 399 V CB 1.972 33.812 31.823 0.028 0.000 0.988 399 V HN 0.951 nan 8.190 nan 0.000 0.440 400 M N 3.210 122.829 119.600 0.032 0.000 2.465 400 M HA 0.563 5.042 4.480 -0.000 0.000 0.316 400 M C -0.506 175.769 176.300 -0.040 0.000 1.121 400 M CA -0.193 55.085 55.300 -0.037 0.000 0.934 400 M CB 2.320 34.906 32.600 -0.025 0.000 1.692 400 M HN 0.659 nan 8.290 nan 0.000 0.444 401 S N 1.845 117.429 115.700 -0.193 0.000 2.526 401 S HA 0.712 5.182 4.470 -0.000 0.000 0.293 401 S C -1.979 172.427 174.600 -0.324 0.000 1.092 401 S CA -0.486 57.656 58.200 -0.097 0.000 0.980 401 S CB 0.893 64.079 63.200 -0.024 0.000 1.048 401 S HN 0.540 nan 8.310 nan 0.000 0.483 402 Y N 2.065 122.402 120.300 0.062 0.000 2.363 402 Y HA 0.554 5.104 4.550 -0.000 0.000 0.325 402 Y C 0.956 176.904 175.900 0.080 0.000 0.984 402 Y CA -0.728 57.413 58.100 0.070 0.000 1.248 402 Y CB 2.005 40.503 38.460 0.063 0.000 1.116 402 Y HN 0.842 nan 8.280 nan 0.000 0.470 403 G N 1.506 110.408 108.800 0.170 0.000 4.110 403 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.292 403 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.292 403 G C 0.238 175.209 174.900 0.117 0.000 1.020 403 G CA -0.385 44.797 45.100 0.137 0.000 0.808 403 G HN 0.557 nan 8.290 nan 0.000 0.474 404 N N -0.514 118.267 118.700 0.134 0.000 2.214 404 N HA 0.220 4.959 4.740 -0.000 0.000 0.214 404 N C -0.156 175.416 175.510 0.103 0.000 1.132 404 N CA -0.370 52.746 53.050 0.111 0.000 0.856 404 N CB 0.882 39.440 38.487 0.117 0.000 1.020 404 N HN -0.004 nan 8.380 nan 0.000 0.509 405 S N -0.757 115.006 115.700 0.105 0.000 2.535 405 S HA 0.282 4.752 4.470 -0.000 0.000 0.272 405 S C -0.365 174.274 174.600 0.065 0.000 1.149 405 S CA -0.543 57.704 58.200 0.080 0.000 0.888 405 S CB 1.286 64.538 63.200 0.087 0.000 1.110 405 S HN 0.176 nan 8.310 nan 0.000 0.463 406 E N 1.006 121.230 120.200 0.040 0.000 2.447 406 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 406 E C 0.284 176.892 176.600 0.014 0.000 1.028 406 E CA 0.162 56.574 56.400 0.021 0.000 0.876 406 E CB 0.333 30.036 29.700 0.006 0.000 0.885 406 E HN 0.462 nan 8.360 nan 0.000 0.500 407 E N 0.419 120.630 120.200 0.019 0.000 2.700 407 E HA 0.033 4.383 4.350 -0.000 0.000 0.253 407 E C 0.547 177.156 176.600 0.015 0.000 1.175 407 E CA -0.115 56.291 56.400 0.009 0.000 1.010 407 E CB 0.396 30.097 29.700 0.002 0.000 1.284 407 E HN -0.091 nan 8.360 nan 0.000 0.557 408 D N -0.184 120.218 120.400 0.002 0.000 2.239 408 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 408 D C 0.401 176.707 176.300 0.010 0.000 0.993 408 D CA 1.275 55.274 54.000 -0.002 0.000 0.874 408 D CB 0.131 40.921 40.800 -0.017 0.000 0.922 408 D HN 0.011 nan 8.370 nan 0.000 0.464 409 S N -0.584 115.133 115.700 0.027 0.000 2.538 409 S HA 0.230 4.700 4.470 -0.000 0.000 0.288 409 S C -1.093 173.610 174.600 0.171 0.000 1.108 409 S CA -0.970 57.271 58.200 0.069 0.000 0.971 409 S CB 1.108 64.272 63.200 -0.059 0.000 1.041 409 S HN -0.178 nan 8.310 nan 0.000 0.483 410 Q N 2.664 122.634 119.800 0.282 0.000 2.352 410 Q HA 0.304 4.644 4.340 -0.000 0.000 0.260 410 Q C 0.067 176.328 176.000 0.435 0.000 0.976 410 Q CA 0.180 56.175 55.803 0.321 0.000 0.881 410 Q CB 0.629 29.565 28.738 0.330 0.000 1.235 410 Q HN 0.669 nan 8.270 nan 0.000 0.419 411 E N 1.200 121.571 120.200 0.285 0.000 2.280 411 E HA 0.204 4.554 4.350 -0.000 0.000 0.264 411 E C -0.417 176.243 176.600 0.099 0.000 1.064 411 E CA -0.478 56.030 56.400 0.180 0.000 0.900 411 E CB 0.740 30.488 29.700 0.080 0.000 1.123 411 E HN 0.496 nan 8.360 nan 0.000 0.418 412 H N -0.013 118.916 119.070 -0.236 0.000 2.679 412 H HA 0.171 4.726 4.556 -0.000 0.000 0.369 412 H C 0.229 175.477 175.328 -0.134 0.000 1.178 412 H CA -0.387 55.392 56.048 -0.450 0.000 1.419 412 H CB 0.818 30.178 29.762 -0.671 0.000 1.458 412 H HN 0.439 nan 8.280 nan 0.000 0.605 413 T N -1.605 113.015 114.554 0.109 0.000 2.916 413 T HA 0.376 4.726 4.350 -0.000 0.000 0.292 413 T C 1.122 175.961 174.700 0.233 0.000 1.064 413 T CA -0.642 61.549 62.100 0.152 0.000 1.011 413 T CB 1.685 70.642 68.868 0.149 0.000 1.152 413 T HN 0.659 nan 8.240 nan 0.000 0.510 414 G N 0.098 109.039 108.800 0.235 0.000 3.042 414 G HA2 0.233 4.193 3.960 -0.000 0.000 0.212 414 G HA3 0.233 4.193 3.960 -0.000 0.000 0.212 414 G C 0.575 175.627 174.900 0.252 0.000 1.166 414 G CA -0.101 45.181 45.100 0.305 0.000 0.767 414 G HN 0.850 nan 8.290 nan 0.000 0.546 415 S N 0.559 116.396 115.700 0.229 0.000 2.568 415 S HA 0.169 4.639 4.470 -0.000 0.000 0.282 415 S C 0.930 175.680 174.600 0.249 0.000 1.338 415 S CA -0.462 57.845 58.200 0.178 0.000 1.045 415 S CB 0.393 63.687 63.200 0.156 0.000 0.873 415 S HN 0.619 nan 8.310 nan 0.000 0.516 416 Q N 2.654 122.541 119.800 0.145 0.000 2.454 416 Q HA 0.461 4.801 4.340 -0.000 0.000 0.247 416 Q C -0.405 175.749 176.000 0.257 0.000 1.028 416 Q CA -0.417 55.498 55.803 0.185 0.000 0.910 416 Q CB 0.244 29.061 28.738 0.131 0.000 1.276 416 Q HN 0.583 nan 8.270 nan 0.000 0.489 417 L N -2.419 118.993 121.223 0.316 0.000 2.630 417 L HA 0.584 4.923 4.340 -0.000 0.000 0.258 417 L C -0.572 176.375 176.870 0.128 0.000 1.072 417 L CA -1.390 53.581 54.840 0.218 0.000 0.885 417 L CB 1.539 43.738 42.059 0.232 0.000 1.502 417 L HN 0.719 nan 8.230 nan 0.000 0.406 418 R N 0.853 121.378 120.500 0.042 0.000 2.585 418 R HA 0.516 4.856 4.340 -0.000 0.000 0.275 418 R C -1.077 175.120 176.300 -0.172 0.000 1.018 418 R CA 0.095 56.174 56.100 -0.035 0.000 1.072 418 R CB 0.290 30.579 30.300 -0.018 0.000 0.953 418 R HN 0.837 nan 8.270 nan 0.000 0.419 419 I N 2.790 123.226 120.570 -0.223 0.000 2.582 419 I HA 0.563 4.732 4.170 -0.000 0.000 0.292 419 I C -1.492 174.526 176.117 -0.164 0.000 1.066 419 I CA -0.444 60.658 61.300 -0.330 0.000 1.053 419 I CB 1.983 39.622 38.000 -0.602 0.000 1.241 419 I HN 0.789 nan 8.210 nan 0.000 0.421 420 A N 5.526 128.268 122.820 -0.130 0.000 2.454 420 A HA 1.018 5.338 4.320 -0.000 0.000 0.302 420 A C -1.332 176.228 177.584 -0.039 0.000 1.079 420 A CA -0.176 51.827 52.037 -0.058 0.000 0.731 420 A CB 1.828 20.808 19.000 -0.034 0.000 1.299 420 A HN 1.143 nan 8.150 nan 0.000 0.413 421 A N -0.109 122.718 122.820 0.011 0.000 2.609 421 A HA 0.799 5.118 4.320 -0.000 0.000 0.291 421 A C -1.822 175.834 177.584 0.119 0.000 1.096 421 A CA -0.403 51.659 52.037 0.041 0.000 0.684 421 A CB 1.232 20.240 19.000 0.013 0.000 1.282 421 A HN 2.048 nan 8.150 nan 0.000 0.412 422 Y N 0.032 120.325 120.300 -0.011 0.000 2.441 422 Y HA 0.585 5.135 4.550 -0.001 0.000 0.334 422 Y C 0.118 176.017 175.900 -0.002 0.000 1.061 422 Y CA 0.527 58.624 58.100 -0.005 0.000 1.032 422 Y CB 1.457 39.915 38.460 -0.004 0.000 1.266 422 Y HN 2.402 nan 8.280 nan 0.000 0.441 423 G N 4.591 112.972 108.800 -0.698 0.000 2.362 423 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.517 423 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.517 423 G C -3.241 171.506 174.900 -0.256 0.000 1.256 423 G CA -0.898 43.848 45.100 -0.590 0.000 1.027 423 G HN 0.527 nan 8.290 nan 0.000 0.491 424 P HA 0.210 nan 4.420 nan 0.000 0.265 424 P C 0.426 177.793 177.300 0.113 0.000 1.193 424 P CA 0.988 64.080 63.100 -0.014 0.000 0.765 424 P CB -0.052 31.689 31.700 0.068 0.000 0.823 425 H N 0.349 119.376 119.070 -0.072 0.000 3.395 425 H HA -0.241 4.315 4.556 -0.000 0.000 0.222 425 H C 1.280 176.586 175.328 -0.037 0.000 1.099 425 H CA 0.888 56.910 56.048 -0.044 0.000 1.182 425 H CB -1.701 28.041 29.762 -0.033 0.000 1.188 425 H HN 0.590 nan 8.280 nan 0.000 0.317 426 A N 0.977 123.803 122.820 0.009 0.000 2.019 426 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 426 A C 2.555 180.138 177.584 -0.002 0.000 1.164 426 A CA 1.766 53.800 52.037 -0.004 0.000 0.644 426 A CB -0.547 18.427 19.000 -0.044 0.000 0.805 426 A HN 0.576 nan 8.150 nan 0.000 0.449 427 A N 0.511 123.317 122.820 -0.023 0.000 2.032 427 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 427 A C 1.631 179.222 177.584 0.011 0.000 1.165 427 A CA 1.560 53.588 52.037 -0.016 0.000 0.645 427 A CB -0.575 18.400 19.000 -0.041 0.000 0.807 427 A HN 0.599 nan 8.150 nan 0.000 0.453 428 N N 0.077 118.797 118.700 0.033 0.000 2.449 428 N HA -0.019 4.720 4.740 -0.000 0.000 0.191 428 N C 1.256 176.806 175.510 0.066 0.000 1.161 428 N CA 1.176 54.262 53.050 0.060 0.000 0.863 428 N CB 0.460 39.003 38.487 0.093 0.000 0.980 428 N HN 0.584 nan 8.380 nan 0.000 0.458 429 V N -2.850 117.090 119.914 0.043 0.000 3.621 429 V HA 0.223 4.342 4.120 -0.000 0.000 0.285 429 V C 0.824 176.935 176.094 0.028 0.000 1.346 429 V CA -0.115 62.205 62.300 0.033 0.000 1.104 429 V CB -0.174 31.643 31.823 -0.010 0.000 0.913 429 V HN -0.240 nan 8.190 nan 0.000 0.432 430 V N 2.315 122.247 119.914 0.030 0.000 2.881 430 V HA 0.753 4.872 4.120 -0.000 0.000 0.303 430 V C 1.284 177.403 176.094 0.041 0.000 1.070 430 V CA 0.882 63.200 62.300 0.029 0.000 1.074 430 V CB 0.109 31.945 31.823 0.021 0.000 1.012 430 V HN 1.046 nan 8.190 nan 0.000 0.482 431 G N 2.751 111.576 108.800 0.042 0.000 2.632 431 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.224 431 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.224 431 G C -0.899 174.043 174.900 0.069 0.000 1.341 431 G CA -0.025 45.105 45.100 0.050 0.000 0.880 431 G HN 1.102 nan 8.290 nan 0.000 0.566 432 L N 1.619 122.888 121.223 0.077 0.000 2.292 432 L HA 0.768 5.107 4.340 -0.000 0.000 0.284 432 L C 1.109 178.051 176.870 0.122 0.000 1.065 432 L CA 1.123 56.024 54.840 0.101 0.000 0.806 432 L CB 1.153 43.264 42.059 0.087 0.000 1.175 432 L HN 1.558 nan 8.230 nan 0.000 0.431 433 T N 0.302 114.960 114.554 0.172 0.000 2.696 433 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 433 T C -1.095 173.734 174.700 0.214 0.000 1.095 433 T CA -0.828 61.383 62.100 0.185 0.000 1.026 433 T CB 1.339 70.329 68.868 0.203 0.000 1.390 433 T HN 0.554 nan 8.240 nan 0.000 0.513 434 D N -1.240 119.268 120.400 0.180 0.000 2.340 434 D HA 0.329 4.969 4.640 -0.000 0.000 0.240 434 D C 1.087 177.409 176.300 0.036 0.000 1.001 434 D CA -0.656 53.390 54.000 0.078 0.000 0.888 434 D CB 2.258 43.093 40.800 0.058 0.000 1.310 434 D HN 0.663 nan 8.370 nan 0.000 0.474 435 Q N 0.421 120.067 119.800 -0.256 0.000 2.181 435 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 435 Q C 1.421 177.470 176.000 0.081 0.000 0.980 435 Q CA 2.146 57.785 55.803 -0.274 0.000 0.862 435 Q CB 0.001 28.486 28.738 -0.421 0.000 0.905 435 Q HN 0.733 nan 8.270 nan 0.000 0.429 436 T N -2.061 112.526 114.554 0.056 0.000 2.995 436 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 436 T C 1.225 176.138 174.700 0.354 0.000 1.091 436 T CA 1.066 63.263 62.100 0.162 0.000 1.128 436 T CB -0.175 68.753 68.868 0.101 0.000 0.891 436 T HN 0.230 nan 8.240 nan 0.000 0.492 437 D N 1.103 121.685 120.400 0.303 0.000 2.178 437 D HA -0.042 4.598 4.640 -0.000 0.000 0.201 437 D C 1.945 178.453 176.300 0.346 0.000 0.980 437 D CA 0.684 54.890 54.000 0.343 0.000 0.842 437 D CB -0.186 40.757 40.800 0.238 0.000 0.948 437 D HN 0.298 nan 8.370 nan 0.000 0.472 438 L N 0.401 121.826 121.223 0.337 0.000 2.131 438 L HA -0.129 4.210 4.340 -0.000 0.000 0.210 438 L C 1.989 179.013 176.870 0.256 0.000 1.092 438 L CA 1.208 56.225 54.840 0.295 0.000 0.759 438 L CB -0.742 41.532 42.059 0.360 0.000 0.903 438 L HN -0.082 nan 8.230 nan 0.000 0.435 439 F N -0.787 119.230 119.950 0.112 0.000 2.075 439 F HA -0.274 4.253 4.527 -0.001 0.000 0.297 439 F C 2.066 177.753 175.800 -0.188 0.000 1.113 439 F CA 1.792 59.745 58.000 -0.079 0.000 1.218 439 F CB -0.620 38.228 39.000 -0.254 0.000 0.984 439 F HN 0.131 nan 8.300 nan 0.000 0.472 440 Y N 0.456 120.803 120.300 0.077 0.000 2.242 440 Y HA -0.180 4.370 4.550 -0.001 0.000 0.291 440 Y C 2.719 178.565 175.900 -0.091 0.000 1.137 440 Y CA 1.900 59.969 58.100 -0.052 0.000 1.181 440 Y CB -1.312 37.211 38.460 0.105 0.000 0.989 440 Y HN 0.021 nan 8.280 nan 0.000 0.527 441 T N 0.136 114.755 114.554 0.108 0.000 2.684 441 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 441 T C 1.964 176.630 174.700 -0.057 0.000 1.036 441 T CA 1.772 63.909 62.100 0.061 0.000 1.148 441 T CB -0.328 68.605 68.868 0.108 0.000 0.863 441 T HN 0.289 nan 8.240 nan 0.000 0.436 442 M N 0.435 119.972 119.600 -0.104 0.000 2.132 442 M HA -0.047 4.432 4.480 -0.000 0.000 0.263 442 M C 2.515 178.660 176.300 -0.259 0.000 1.065 442 M CA 1.293 56.507 55.300 -0.144 0.000 1.122 442 M CB -0.364 32.179 32.600 -0.095 0.000 1.365 442 M HN 0.028 nan 8.290 nan 0.000 0.411 443 K N 0.867 121.011 120.400 -0.426 0.000 2.009 443 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 443 K C 2.014 178.464 176.600 -0.249 0.000 1.049 443 K CA 1.892 57.917 56.287 -0.438 0.000 0.929 443 K CB -0.343 31.747 32.500 -0.684 0.000 0.714 443 K HN 0.307 nan 8.250 nan 0.000 0.440 444 A N 0.893 123.601 122.820 -0.187 0.000 1.902 444 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 444 A C 2.335 179.738 177.584 -0.302 0.000 1.181 444 A CA 2.186 54.135 52.037 -0.146 0.000 0.623 444 A CB -0.613 18.359 19.000 -0.047 0.000 0.818 444 A HN 0.422 nan 8.150 nan 0.000 0.443 445 A N -1.130 121.430 122.820 -0.432 0.000 1.930 445 A HA 0.046 4.365 4.320 -0.000 0.000 0.217 445 A C 1.837 179.205 177.584 -0.359 0.000 1.175 445 A CA 1.541 53.161 52.037 -0.696 0.000 0.627 445 A CB -0.387 18.335 19.000 -0.464 0.000 0.815 445 A HN 0.415 nan 8.150 nan 0.000 0.443 446 L N -0.691 120.396 121.223 -0.227 0.000 2.599 446 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 446 L C 1.634 178.434 176.870 -0.117 0.000 1.141 446 L CA 0.973 55.727 54.840 -0.143 0.000 0.877 446 L CB -0.831 41.159 42.059 -0.115 0.000 1.009 446 L HN 0.636 nan 8.230 nan 0.000 0.447 447 G N -0.240 108.482 108.800 -0.131 0.000 2.225 447 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.267 447 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.267 447 G C 0.108 174.967 174.900 -0.068 0.000 1.024 447 G CA 0.158 45.208 45.100 -0.084 0.000 0.784 447 G HN 0.171 nan 8.290 nan 0.000 0.507 448 L N -0.569 120.599 121.223 -0.093 0.000 2.380 448 L HA 0.745 5.084 4.340 -0.000 0.000 0.273 448 L C 0.619 177.458 176.870 -0.052 0.000 1.138 448 L CA 0.218 55.012 54.840 -0.077 0.000 0.832 448 L CB 1.000 42.987 42.059 -0.119 0.000 1.124 448 L HN 0.494 nan 8.230 nan 0.000 0.454 449 K N 0.000 120.385 120.400 -0.024 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.287 56.287 0.000 0.000 0.838 449 K CB 0.000 32.510 32.500 0.016 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543