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 2fus_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNTVRSEKDS MGAIDVPADK LWGAQTQRSL EHFRISTEKM PTSLIHALAL DATA SEQUENCE TKRAAAKVNE DLGLLSEEKA SAIRQAADEV LAGQHDDEFP LAIWQTGSGT DATA SEQUENCE QSNMNMNEVL ANRASELLGG VRGMERKVNP NDDVNKSQSS NDVFPTAMHV DATA SEQUENCE AALLALRKQL IPQLKTLTQT LNEKSRAFAD IVKIGRTHLQ DATPLTLGQE DATA SEQUENCE ISGWVAMLEH NLKHIEYSLP HVAELALGGT AVGTGLNTHP EYARRVADEL DATA SEQUENCE AVITCAPFVT APNKFEALAT CDALVQAHGA LKGLAASLMK IANDVRWLAS DATA SEQUENCE GPRCGIGEIS IPENEPXXXX MPGKVNPTQC EALTMLCCQV MGNDVAINMG DATA SEQUENCE GASGNFELNV FRPMVIHNFL QSVRLLADGM ESFNKHCAVG IEPNRERINQ DATA SEQUENCE LLNESLMLVT ALNTHIGYDK AAEIAKKAHK EGLTLKAAAL ALGYLSEAEF DATA SEQUENCE DSWVRPEQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 N N 2.749 121.436 118.700 -0.021 0.000 2.300 2 N HA 0.004 nan 4.740 nan 0.000 0.179 2 N C -0.535 174.962 175.510 -0.022 0.000 1.016 2 N CA 0.530 53.570 53.050 -0.016 0.000 0.876 2 N CB 0.290 38.772 38.487 -0.010 0.000 0.979 2 N HN 0.223 8.592 8.380 -0.018 0.000 0.432 3 T N 3.777 118.313 114.554 -0.029 0.000 2.867 3 T HA -0.010 nan 4.350 nan 0.000 0.297 3 T C -0.448 174.224 174.700 -0.046 0.000 0.989 3 T CA 0.419 62.499 62.100 -0.034 0.000 1.159 3 T CB 0.588 69.434 68.868 -0.035 0.000 0.928 3 T HN -0.521 7.701 8.240 -0.029 0.000 0.538 4 V N 0.853 120.743 119.914 -0.039 0.000 3.096 4 V HA 0.839 nan 4.120 nan 0.000 0.319 4 V C -1.365 174.699 176.094 -0.050 0.000 1.082 4 V CA -3.435 58.837 62.300 -0.046 0.000 1.022 4 V CB 1.792 33.599 31.823 -0.028 0.000 1.103 4 V HN -0.078 8.094 8.190 -0.030 0.000 0.455 5 R N 0.796 121.261 120.500 -0.058 0.000 2.621 5 R HA 0.407 nan 4.340 nan 0.000 0.292 5 R C -1.441 174.836 176.300 -0.037 0.000 0.969 5 R CA -1.191 54.877 56.100 -0.054 0.000 0.887 5 R CB 3.903 34.156 30.300 -0.078 0.000 1.180 5 R HN 0.763 8.896 8.270 -0.063 0.099 0.450 6 S N 4.128 119.813 115.700 -0.025 0.000 2.439 6 S HA 0.242 nan 4.470 nan 0.000 0.282 6 S C -0.688 173.905 174.600 -0.011 0.000 1.170 6 S CA -0.709 57.483 58.200 -0.013 0.000 1.054 6 S CB 0.287 63.481 63.200 -0.009 0.000 0.956 6 S HN 0.580 8.874 8.310 -0.026 0.000 0.490 7 E N 7.059 127.258 120.200 -0.002 0.000 2.299 7 E HA 0.596 nan 4.350 nan 0.000 0.260 7 E C -2.046 174.562 176.600 0.012 0.000 0.944 7 E CA -1.559 54.844 56.400 0.005 0.000 0.815 7 E CB 4.451 34.159 29.700 0.013 0.000 1.252 7 E HN 0.097 8.459 8.360 0.003 0.000 0.418 8 K N -1.973 118.435 120.400 0.014 0.000 2.556 8 K HA 0.681 nan 4.320 nan 0.000 0.274 8 K C -2.040 174.571 176.600 0.018 0.000 0.966 8 K CA -0.933 55.363 56.287 0.016 0.000 0.865 8 K CB 3.271 35.778 32.500 0.011 0.000 1.444 8 K HN -0.170 8.088 8.250 0.013 0.000 0.433 9 D N -1.789 118.623 120.400 0.019 0.000 2.781 9 D HA 0.403 nan 4.640 nan 0.000 0.295 9 D C 1.754 178.064 176.300 0.018 0.000 1.143 9 D CA -1.657 52.354 54.000 0.019 0.000 1.076 9 D CB 2.095 42.909 40.800 0.023 0.000 1.444 9 D HN 0.560 8.942 8.370 0.019 0.000 0.567 10 S N 0.146 115.857 115.700 0.018 0.000 2.440 10 S HA -0.252 nan 4.470 nan 0.000 0.238 10 S C 0.904 175.515 174.600 0.019 0.000 1.010 10 S CA 2.825 61.035 58.200 0.017 0.000 0.972 10 S CB -0.144 63.066 63.200 0.016 0.000 0.774 10 S HN 0.352 8.673 8.310 0.018 0.000 0.501 11 M N -0.445 119.169 119.600 0.025 0.000 2.509 11 M HA 0.001 nan 4.480 nan 0.000 0.250 11 M C -0.398 175.917 176.300 0.025 0.000 1.132 11 M CA 0.673 55.990 55.300 0.028 0.000 1.080 11 M CB 1.430 34.055 32.600 0.041 0.000 1.408 11 M HN -0.618 7.853 8.290 0.026 -0.165 0.484 12 G N -2.934 105.878 108.800 0.021 0.000 2.270 12 G HA2 -0.124 nan 3.960 nan 0.000 0.268 12 G HA3 -0.124 nan 3.960 nan 0.000 0.268 12 G C -3.184 171.726 174.900 0.017 0.000 1.312 12 G CA -0.687 44.424 45.100 0.018 0.000 1.050 12 G HN -0.360 7.879 8.290 0.020 0.063 0.474 13 A N 0.143 122.971 122.820 0.015 0.000 2.324 13 A HA 1.009 nan 4.320 nan 0.000 0.330 13 A C -1.485 176.108 177.584 0.015 0.000 1.165 13 A CA -1.435 50.610 52.037 0.013 0.000 0.813 13 A CB 1.845 20.850 19.000 0.009 0.000 1.197 13 A HN 0.142 8.300 8.150 0.014 0.000 0.484 14 I N 0.592 121.171 120.570 0.016 0.000 2.827 14 I HA 0.213 nan 4.170 nan 0.000 0.298 14 I C -2.440 173.689 176.117 0.020 0.000 1.235 14 I CA -1.696 59.615 61.300 0.019 0.000 1.021 14 I CB 4.318 42.330 38.000 0.020 0.000 1.259 14 I HN 0.827 9.046 8.210 0.016 0.000 0.427 15 D N 6.987 127.398 120.400 0.018 0.000 2.351 15 D HA 0.394 nan 4.640 nan 0.000 0.251 15 D C -0.800 175.515 176.300 0.025 0.000 1.137 15 D CA 0.141 54.148 54.000 0.011 0.000 0.879 15 D CB 0.230 41.033 40.800 0.006 0.000 1.181 15 D HN -0.101 8.280 8.370 0.019 0.000 0.448 16 V N 3.687 123.598 119.914 -0.006 0.000 2.604 16 V HA 0.400 nan 4.120 nan 0.000 0.305 16 V C -2.279 173.740 176.094 -0.126 0.000 1.043 16 V CA -3.928 58.350 62.300 -0.036 0.000 0.888 16 V CB 3.340 35.117 31.823 -0.076 0.000 0.995 16 V HN 0.711 8.779 8.190 -0.026 0.106 0.429 17 P HA 0.020 nan 4.420 nan 0.000 0.263 17 P C 0.041 177.190 177.300 -0.252 0.000 1.195 17 P CA 0.026 63.008 63.100 -0.196 0.000 0.762 17 P CB 0.055 31.624 31.700 -0.218 0.000 0.799 18 A N 5.009 127.731 122.820 -0.164 0.000 1.997 18 A HA -0.432 nan 4.320 nan 0.000 0.221 18 A C 0.852 178.333 177.584 -0.173 0.000 1.172 18 A CA 3.117 55.065 52.037 -0.148 0.000 0.645 18 A CB -0.387 18.555 19.000 -0.096 0.000 0.813 18 A HN 0.575 8.652 8.150 -0.121 0.000 0.454 19 D N -6.336 113.954 120.400 -0.183 0.000 2.349 19 D HA -0.085 nan 4.640 nan 0.000 0.224 19 D C 0.345 176.493 176.300 -0.253 0.000 1.029 19 D CA 0.137 54.033 54.000 -0.173 0.000 0.879 19 D CB -0.198 40.529 40.800 -0.123 0.000 0.906 19 D HN 0.286 8.523 8.370 -0.175 0.028 0.528 20 K N -0.386 119.764 120.400 -0.416 0.000 2.156 20 K HA 0.379 nan 4.320 nan 0.000 0.254 20 K C -0.448 175.850 176.600 -0.504 0.000 0.950 20 K CA -2.004 53.908 56.287 -0.625 0.000 0.849 20 K CB 1.643 33.313 32.500 -1.384 0.000 1.100 20 K HN -0.177 7.644 8.250 -0.420 0.176 0.434 21 L N 1.029 122.028 121.223 -0.373 0.000 2.591 21 L HA 0.024 nan 4.340 nan 0.000 0.228 21 L C -1.129 175.673 176.870 -0.113 0.000 1.133 21 L CA 0.567 55.272 54.840 -0.225 0.000 0.880 21 L CB 0.299 42.235 42.059 -0.206 0.000 1.033 21 L HN 0.233 8.713 8.230 -0.348 -0.459 0.450 22 W N -4.705 116.508 121.300 -0.145 0.000 2.089 22 W HA 0.116 nan 4.660 nan 0.000 0.362 22 W C -1.593 174.878 176.519 -0.080 0.000 1.362 22 W CA -1.549 55.720 57.345 -0.126 0.000 1.460 22 W CB 0.493 29.869 29.460 -0.139 0.000 1.204 22 W HN -0.847 7.029 8.180 -0.419 0.053 0.657 23 G N -4.449 104.539 108.800 0.312 0.000 3.119 23 G HA2 0.312 nan 3.960 nan 0.000 0.206 23 G HA3 0.312 nan 3.960 nan 0.000 0.206 23 G C -1.059 173.960 174.900 0.198 0.000 1.313 23 G CA -1.907 43.299 45.100 0.176 0.000 1.010 23 G HN -0.363 8.337 8.290 0.330 -0.212 0.578 24 A N -0.329 122.552 122.820 0.102 0.000 1.883 24 A HA -0.311 nan 4.320 nan 0.000 0.217 24 A C 2.273 179.888 177.584 0.052 0.000 1.186 24 A CA 3.189 55.270 52.037 0.073 0.000 0.624 24 A CB -0.232 18.793 19.000 0.042 0.000 0.822 24 A HN 0.448 8.642 8.150 0.073 0.000 0.444 25 Q N -3.203 116.621 119.800 0.039 0.000 2.079 25 Q HA -0.340 nan 4.340 nan 0.000 0.200 25 Q C 2.531 178.516 176.000 -0.024 0.000 0.974 25 Q CA 3.440 59.250 55.803 0.012 0.000 0.840 25 Q CB -0.016 28.731 28.738 0.014 0.000 0.898 25 Q HN -0.185 8.339 8.270 0.047 -0.226 0.430 26 T N 2.845 117.378 114.554 -0.035 0.000 2.788 26 T HA -0.294 nan 4.350 nan 0.000 0.268 26 T C 2.108 176.664 174.700 -0.241 0.000 1.044 26 T CA 4.617 66.604 62.100 -0.188 0.000 1.139 26 T CB -0.740 67.947 68.868 -0.301 0.000 0.867 26 T HN -0.516 8.106 8.240 0.021 -0.369 0.454 27 Q N 1.499 121.268 119.800 -0.051 0.000 2.079 27 Q HA -0.268 nan 4.340 nan 0.000 0.200 27 Q C 2.113 178.063 176.000 -0.082 0.000 0.974 27 Q CA 2.912 58.728 55.803 0.021 0.000 0.840 27 Q CB -0.510 28.331 28.738 0.172 0.000 0.898 27 Q HN -0.329 7.890 8.270 0.066 0.091 0.430 28 R N -0.590 119.841 120.500 -0.114 0.000 2.081 28 R HA -0.352 nan 4.340 nan 0.000 0.235 28 R C 2.704 178.783 176.300 -0.368 0.000 1.131 28 R CA 3.279 59.207 56.100 -0.287 0.000 0.960 28 R CB -0.112 30.081 30.300 -0.179 0.000 0.856 28 R HN -0.158 7.999 8.270 -0.059 0.078 0.436 29 S N 0.704 116.345 115.700 -0.098 0.000 2.356 29 S HA -0.339 nan 4.470 nan 0.000 0.223 29 S C 1.847 176.514 174.600 0.112 0.000 1.032 29 S CA 3.265 61.539 58.200 0.123 0.000 1.005 29 S CB -0.095 63.130 63.200 0.043 0.000 0.867 29 S HN -0.264 7.999 8.310 -0.079 0.000 0.449 30 L N 0.565 121.756 121.223 -0.054 0.000 2.043 30 L HA -0.380 nan 4.340 nan 0.000 0.212 30 L C 0.376 177.238 176.870 -0.013 0.000 1.075 30 L CA 3.016 57.820 54.840 -0.060 0.000 0.752 30 L CB -0.075 41.899 42.059 -0.142 0.000 0.891 30 L HN -0.273 7.882 8.230 -0.125 0.000 0.432 31 E N -6.464 113.688 120.200 -0.080 0.000 2.371 31 E HA -0.178 nan 4.350 nan 0.000 0.194 31 E C 2.072 178.684 176.600 0.020 0.000 1.012 31 E CA 1.351 57.716 56.400 -0.059 0.000 0.860 31 E CB 0.190 29.824 29.700 -0.109 0.000 0.811 31 E HN -0.649 7.529 8.360 -0.146 0.094 0.502 32 H N -1.716 117.302 119.070 -0.087 0.000 2.639 32 H HA 0.044 nan 4.556 nan 0.000 0.267 32 H C 0.538 175.493 175.328 -0.622 0.000 0.958 32 H CA 0.491 56.327 56.048 -0.353 0.000 1.221 32 H CB 1.079 30.564 29.762 -0.462 0.000 1.446 32 H HN -0.442 7.629 8.280 -0.039 0.185 0.512 33 F N -1.861 118.154 119.950 0.108 0.000 2.798 33 F HA 0.227 nan 4.527 nan 0.000 0.333 33 F C -1.104 174.734 175.800 0.062 0.000 1.324 33 F CA -1.343 56.702 58.000 0.075 0.000 1.183 33 F CB -0.276 38.758 39.000 0.057 0.000 1.132 33 F HN -0.137 8.290 8.300 0.211 0.000 0.521 34 R N 2.492 123.062 120.500 0.117 0.000 3.268 34 R HA 0.031 nan 4.340 nan 0.000 0.217 34 R C -0.624 175.736 176.300 0.101 0.000 1.568 34 R CA -0.056 56.101 56.100 0.095 0.000 1.322 34 R CB -1.363 28.966 30.300 0.049 0.000 1.280 34 R HN 0.139 8.435 8.270 0.043 0.000 0.667 35 I N 3.339 124.008 120.570 0.166 0.000 2.439 35 I HA 0.092 nan 4.170 nan 0.000 0.283 35 I C -0.878 175.354 176.117 0.191 0.000 1.023 35 I CA -0.726 60.662 61.300 0.146 0.000 1.100 35 I CB 0.962 39.071 38.000 0.182 0.000 1.238 35 I HN -0.285 8.022 8.210 0.214 0.032 0.445 36 S N 3.935 119.688 115.700 0.087 0.000 3.245 36 S HA -0.354 nan 4.470 nan 0.000 0.631 36 S C -0.261 174.427 174.600 0.147 0.000 2.821 36 S CA 0.852 59.112 58.200 0.099 0.000 3.266 36 S CB 0.418 63.664 63.200 0.077 0.000 0.314 36 S HN 0.401 8.737 8.310 0.044 0.000 1.621 37 T N -6.627 108.025 114.554 0.163 0.000 2.975 37 T HA 0.131 nan 4.350 nan 0.000 0.261 37 T C -0.159 174.611 174.700 0.118 0.000 0.984 37 T CA -0.337 61.838 62.100 0.125 0.000 0.911 37 T CB 0.436 69.361 68.868 0.096 0.000 1.127 37 T HN -0.087 8.259 8.240 0.176 0.000 0.514 38 E N 2.980 123.277 120.200 0.161 0.000 2.366 38 E HA -0.086 nan 4.350 nan 0.000 0.266 38 E C -0.536 176.011 176.600 -0.088 0.000 1.015 38 E CA 0.760 57.177 56.400 0.028 0.000 0.906 38 E CB 0.048 29.701 29.700 -0.078 0.000 0.979 38 E HN -0.022 8.504 8.360 0.277 0.000 0.443 39 K N 1.429 121.791 120.400 -0.063 0.000 2.346 39 K HA 0.675 nan 4.320 nan 0.000 0.238 39 K C -0.418 176.143 176.600 -0.065 0.000 1.039 39 K CA -2.138 54.108 56.287 -0.067 0.000 0.861 39 K CB 2.050 34.550 32.500 -0.000 0.000 1.278 39 K HN 0.051 8.293 8.250 -0.014 0.000 0.460 40 M N 0.054 119.627 119.600 -0.045 0.000 2.248 40 M HA 0.083 nan 4.480 nan 0.000 0.345 40 M C -1.488 174.801 176.300 -0.019 0.000 1.243 40 M CA -2.535 52.751 55.300 -0.025 0.000 1.090 40 M CB -1.516 31.078 32.600 -0.011 0.000 1.683 40 M HN -0.100 8.170 8.290 -0.034 0.000 0.450 41 P HA 0.217 nan 4.420 nan 0.000 0.272 41 P C 0.201 177.439 177.300 -0.103 0.000 1.223 41 P CA -0.571 62.509 63.100 -0.032 0.000 0.784 41 P CB 0.657 32.348 31.700 -0.015 0.000 0.923 42 T N 4.271 118.742 114.554 -0.139 0.000 2.759 42 T HA -0.262 nan 4.350 nan 0.000 0.269 42 T C 2.272 176.718 174.700 -0.422 0.000 1.042 42 T CA 4.241 66.167 62.100 -0.290 0.000 1.140 42 T CB -0.384 68.316 68.868 -0.280 0.000 0.864 42 T HN 0.281 8.465 8.240 -0.094 0.000 0.455 43 S N 1.445 116.995 115.700 -0.249 0.000 2.402 43 S HA -0.206 nan 4.470 nan 0.000 0.229 43 S C 1.784 176.313 174.600 -0.118 0.000 1.021 43 S CA 2.628 60.726 58.200 -0.169 0.000 0.974 43 S CB -0.575 62.580 63.200 -0.075 0.000 0.800 43 S HN 0.187 8.382 8.310 -0.172 0.012 0.484 44 L N 2.746 123.894 121.223 -0.125 0.000 2.044 44 L HA -0.171 nan 4.340 nan 0.000 0.205 44 L C 1.508 178.287 176.870 -0.152 0.000 1.075 44 L CA 2.701 57.460 54.840 -0.134 0.000 0.747 44 L CB -0.482 41.505 42.059 -0.121 0.000 0.903 44 L HN -0.668 7.372 8.230 -0.122 0.116 0.435 45 I N -0.973 119.482 120.570 -0.191 0.000 2.151 45 I HA -0.612 nan 4.170 nan 0.000 0.243 45 I C 2.376 178.431 176.117 -0.104 0.000 1.080 45 I CA 3.347 64.482 61.300 -0.276 0.000 1.339 45 I CB -1.526 36.226 38.000 -0.413 0.000 1.039 45 I HN 0.133 8.227 8.210 -0.194 0.000 0.409 46 H N -1.310 117.659 119.070 -0.169 0.000 2.423 46 H HA -0.278 nan 4.556 nan 0.000 0.297 46 H C 2.189 177.459 175.328 -0.096 0.000 1.075 46 H CA 2.642 58.626 56.048 -0.108 0.000 1.342 46 H CB 0.023 29.747 29.762 -0.062 0.000 1.395 46 H HN 0.030 8.259 8.280 -0.084 0.000 0.530 47 A N -0.071 122.759 122.820 0.018 0.000 1.969 47 A HA -0.230 nan 4.320 nan 0.000 0.218 47 A C 1.812 179.345 177.584 -0.086 0.000 1.169 47 A CA 2.979 54.987 52.037 -0.048 0.000 0.635 47 A CB -0.835 18.117 19.000 -0.081 0.000 0.810 47 A HN -0.287 7.771 8.150 -0.006 0.089 0.445 48 L N -1.599 119.567 121.223 -0.095 0.000 2.046 48 L HA -0.408 nan 4.340 nan 0.000 0.208 48 L C 1.927 178.770 176.870 -0.046 0.000 1.077 48 L CA 2.891 57.682 54.840 -0.081 0.000 0.747 48 L CB -0.198 41.813 42.059 -0.080 0.000 0.896 48 L HN 0.214 8.294 8.230 -0.103 0.089 0.432 49 A N -0.670 122.125 122.820 -0.041 0.000 1.898 49 A HA -0.306 nan 4.320 nan 0.000 0.216 49 A C 2.116 179.685 177.584 -0.025 0.000 1.181 49 A CA 3.143 55.171 52.037 -0.016 0.000 0.620 49 A CB -0.855 18.134 19.000 -0.019 0.000 0.819 49 A HN -0.335 7.708 8.150 -0.054 0.075 0.442 50 L N -2.847 118.351 121.223 -0.041 0.000 2.046 50 L HA -0.506 nan 4.340 nan 0.000 0.208 50 L C 2.391 179.220 176.870 -0.070 0.000 1.077 50 L CA 3.366 58.175 54.840 -0.052 0.000 0.747 50 L CB -0.349 41.676 42.059 -0.057 0.000 0.896 50 L HN 0.175 8.311 8.230 -0.038 0.071 0.432 51 T N 1.849 116.353 114.554 -0.084 0.000 2.708 51 T HA -0.360 nan 4.350 nan 0.000 0.266 51 T C 2.168 176.844 174.700 -0.041 0.000 1.037 51 T CA 5.028 67.074 62.100 -0.090 0.000 1.146 51 T CB -0.608 68.203 68.868 -0.095 0.000 0.865 51 T HN 0.047 8.236 8.240 -0.086 0.000 0.435 52 K N 0.776 121.167 120.400 -0.015 0.000 2.097 52 K HA -0.250 nan 4.320 nan 0.000 0.206 52 K C 2.183 178.789 176.600 0.011 0.000 1.049 52 K CA 2.785 59.080 56.287 0.013 0.000 0.933 52 K CB -0.695 31.821 32.500 0.027 0.000 0.717 52 K HN -0.261 7.977 8.250 -0.020 0.000 0.442 53 R N -0.595 119.903 120.500 -0.003 0.000 2.081 53 R HA -0.293 nan 4.340 nan 0.000 0.235 53 R C 2.136 178.430 176.300 -0.009 0.000 1.131 53 R CA 3.228 59.325 56.100 -0.004 0.000 0.960 53 R CB -0.063 30.230 30.300 -0.012 0.000 0.856 53 R HN 0.015 8.183 8.270 -0.012 0.095 0.436 54 A N -1.631 121.172 122.820 -0.028 0.000 1.898 54 A HA -0.187 nan 4.320 nan 0.000 0.216 54 A C 1.803 179.378 177.584 -0.015 0.000 1.181 54 A CA 2.873 54.885 52.037 -0.041 0.000 0.620 54 A CB -0.835 18.113 19.000 -0.087 0.000 0.819 54 A HN -0.023 8.028 8.150 -0.040 0.076 0.442 55 A N -2.205 120.625 122.820 0.016 0.000 1.933 55 A HA -0.314 nan 4.320 nan 0.000 0.218 55 A C 1.874 179.518 177.584 0.099 0.000 1.175 55 A CA 2.885 54.987 52.037 0.109 0.000 0.628 55 A CB -0.712 18.372 19.000 0.140 0.000 0.814 55 A HN 0.141 8.291 8.150 0.000 0.000 0.444 56 A N -1.577 121.274 122.820 0.050 0.000 1.873 56 A HA -0.302 nan 4.320 nan 0.000 0.215 56 A C 1.863 179.463 177.584 0.028 0.000 1.186 56 A CA 3.036 55.094 52.037 0.035 0.000 0.616 56 A CB -0.739 18.275 19.000 0.023 0.000 0.823 56 A HN -0.060 8.102 8.150 0.036 0.009 0.442 57 K N -1.362 119.049 120.400 0.018 0.000 2.032 57 K HA -0.279 nan 4.320 nan 0.000 0.209 57 K C 2.249 178.856 176.600 0.012 0.000 1.048 57 K CA 2.592 58.884 56.287 0.008 0.000 0.927 57 K CB -0.307 32.191 32.500 -0.002 0.000 0.712 57 K HN -0.568 7.690 8.250 0.014 0.000 0.441 58 V N -1.137 118.792 119.914 0.025 0.000 2.358 58 V HA -0.449 nan 4.120 nan 0.000 0.246 58 V C 2.094 178.224 176.094 0.059 0.000 1.047 58 V CA 4.401 66.724 62.300 0.039 0.000 1.035 58 V CB -0.868 30.981 31.823 0.043 0.000 0.658 58 V HN -0.047 8.157 8.190 0.024 0.000 0.452 59 N N -0.985 117.764 118.700 0.081 0.000 2.166 59 N HA -0.425 nan 4.740 nan 0.000 0.186 59 N C 1.567 177.076 175.510 -0.002 0.000 1.019 59 N CA 3.610 56.681 53.050 0.034 0.000 0.856 59 N CB -0.004 38.498 38.487 0.026 0.000 0.993 59 N HN 0.169 8.502 8.380 0.100 0.108 0.426 60 E N 0.410 120.612 120.200 0.003 0.000 2.028 60 E HA -0.314 nan 4.350 nan 0.000 0.191 60 E C 2.663 179.252 176.600 -0.018 0.000 0.988 60 E CA 3.297 59.693 56.400 -0.007 0.000 0.799 60 E CB -0.048 29.651 29.700 -0.001 0.000 0.755 60 E HN -0.265 8.009 8.360 0.014 0.095 0.447 61 D N -0.528 119.861 120.400 -0.019 0.000 2.228 61 D HA -0.263 nan 4.640 nan 0.000 0.203 61 D C 1.648 177.911 176.300 -0.063 0.000 0.988 61 D CA 2.866 56.847 54.000 -0.032 0.000 0.864 61 D CB -0.270 40.513 40.800 -0.028 0.000 0.928 61 D HN -0.079 8.285 8.370 -0.010 0.000 0.469 62 L N -4.704 116.465 121.223 -0.089 0.000 2.607 62 L HA 0.052 nan 4.340 nan 0.000 0.228 62 L C 0.419 177.233 176.870 -0.093 0.000 1.123 62 L CA -0.340 54.399 54.840 -0.168 0.000 0.890 62 L CB 0.268 42.148 42.059 -0.298 0.000 1.103 62 L HN -0.627 7.424 8.230 -0.062 0.142 0.468 63 G N -1.414 107.356 108.800 -0.049 0.000 2.176 63 G HA2 -0.310 nan 3.960 nan 0.000 0.252 63 G HA3 -0.310 nan 3.960 nan 0.000 0.252 63 G C 0.210 175.098 174.900 -0.020 0.000 1.024 63 G CA 1.211 46.296 45.100 -0.026 0.000 0.755 63 G HN -0.011 8.039 8.290 -0.045 0.213 0.507 64 L N -2.974 118.232 121.223 -0.027 0.000 2.416 64 L HA 0.052 nan 4.340 nan 0.000 0.216 64 L C -0.055 176.805 176.870 -0.017 0.000 1.098 64 L CA 0.534 55.360 54.840 -0.024 0.000 0.840 64 L CB 0.771 42.806 42.059 -0.039 0.000 0.981 64 L HN 0.240 8.413 8.230 -0.035 0.036 0.462 65 L N -2.324 118.891 121.223 -0.013 0.000 2.381 65 L HA 0.216 nan 4.340 nan 0.000 0.268 65 L C -1.488 175.379 176.870 -0.005 0.000 0.997 65 L CA -1.295 53.541 54.840 -0.007 0.000 0.818 65 L CB 3.121 45.179 42.059 -0.002 0.000 1.310 65 L HN -0.852 7.369 8.230 -0.014 0.000 0.416 66 S N 2.323 118.021 115.700 -0.003 0.000 2.572 66 S HA 0.022 nan 4.470 nan 0.000 0.279 66 S C 0.866 175.466 174.600 -0.001 0.000 1.341 66 S CA -0.605 57.594 58.200 -0.002 0.000 1.043 66 S CB 1.563 64.763 63.200 -0.001 0.000 0.887 66 S HN 0.151 8.460 8.310 -0.003 0.000 0.516 67 E N 5.255 125.454 120.200 -0.001 0.000 2.097 67 E HA -0.321 nan 4.350 nan 0.000 0.196 67 E C 2.034 178.636 176.600 0.002 0.000 1.000 67 E CA 3.653 60.053 56.400 0.000 0.000 0.804 67 E CB -0.257 29.443 29.700 0.000 0.000 0.740 67 E HN 0.822 9.181 8.360 -0.001 0.000 0.454 68 E N -2.022 118.179 120.200 0.002 0.000 2.051 68 E HA -0.297 nan 4.350 nan 0.000 0.192 68 E C 2.372 178.975 176.600 0.004 0.000 0.991 68 E CA 2.991 59.392 56.400 0.003 0.000 0.799 68 E CB -0.334 29.367 29.700 0.002 0.000 0.748 68 E HN 0.246 8.607 8.360 0.001 0.000 0.449 69 K N -0.324 120.077 120.400 0.003 0.000 2.097 69 K HA -0.252 nan 4.320 nan 0.000 0.205 69 K C 2.114 178.718 176.600 0.006 0.000 1.050 69 K CA 2.830 59.119 56.287 0.004 0.000 0.938 69 K CB -0.127 32.374 32.500 0.002 0.000 0.718 69 K HN -0.557 7.694 8.250 0.002 0.000 0.442 70 A N -2.206 120.618 122.820 0.006 0.000 1.930 70 A HA -0.175 nan 4.320 nan 0.000 0.217 70 A C 2.112 179.702 177.584 0.009 0.000 1.175 70 A CA 3.105 55.147 52.037 0.008 0.000 0.627 70 A CB -0.807 18.197 19.000 0.006 0.000 0.815 70 A HN 0.233 8.385 8.150 0.004 0.000 0.443 71 S N -1.411 114.294 115.700 0.007 0.000 2.406 71 S HA -0.291 nan 4.470 nan 0.000 0.228 71 S C 2.018 176.624 174.600 0.011 0.000 1.020 71 S CA 2.776 60.981 58.200 0.008 0.000 0.965 71 S CB 0.076 63.280 63.200 0.006 0.000 0.798 71 S HN 0.079 8.392 8.310 0.006 0.000 0.488 72 A N 2.831 125.658 122.820 0.011 0.000 1.877 72 A HA -0.236 nan 4.320 nan 0.000 0.216 72 A C 1.818 179.413 177.584 0.018 0.000 1.186 72 A CA 2.886 54.931 52.037 0.013 0.000 0.620 72 A CB -0.725 18.280 19.000 0.010 0.000 0.822 72 A HN -0.308 7.847 8.150 0.009 0.000 0.443 73 I N -1.671 118.909 120.570 0.017 0.000 2.226 73 I HA -0.570 nan 4.170 nan 0.000 0.245 73 I C 1.993 178.125 176.117 0.025 0.000 1.100 73 I CA 4.123 65.436 61.300 0.022 0.000 1.374 73 I CB -0.247 37.765 38.000 0.020 0.000 1.057 73 I HN -0.285 7.934 8.210 0.014 0.000 0.413 74 R N -1.233 119.279 120.500 0.019 0.000 2.120 74 R HA -0.392 nan 4.340 nan 0.000 0.234 74 R C 2.295 178.607 176.300 0.020 0.000 1.123 74 R CA 3.622 59.732 56.100 0.016 0.000 0.975 74 R CB -0.368 29.939 30.300 0.011 0.000 0.866 74 R HN -0.316 7.887 8.270 0.016 0.077 0.446 75 Q N -0.585 119.229 119.800 0.023 0.000 2.137 75 Q HA -0.209 nan 4.340 nan 0.000 0.198 75 Q C 2.102 178.132 176.000 0.050 0.000 0.960 75 Q CA 2.839 58.659 55.803 0.029 0.000 0.847 75 Q CB 0.093 28.847 28.738 0.026 0.000 0.915 75 Q HN -0.241 7.928 8.270 0.021 0.114 0.448 76 A N -0.922 121.932 122.820 0.056 0.000 1.930 76 A HA -0.251 nan 4.320 nan 0.000 0.217 76 A C 1.817 179.468 177.584 0.113 0.000 1.175 76 A CA 2.777 54.866 52.037 0.087 0.000 0.627 76 A CB -0.810 18.218 19.000 0.048 0.000 0.815 76 A HN 0.069 8.244 8.150 0.042 0.000 0.443 77 A N -2.000 120.864 122.820 0.072 0.000 1.902 77 A HA -0.337 nan 4.320 nan 0.000 0.217 77 A C 1.743 179.346 177.584 0.033 0.000 1.181 77 A CA 3.198 55.271 52.037 0.059 0.000 0.623 77 A CB -0.758 18.259 19.000 0.029 0.000 0.818 77 A HN -0.039 8.143 8.150 0.053 0.000 0.443 78 D N -1.774 118.638 120.400 0.020 0.000 2.178 78 D HA -0.279 nan 4.640 nan 0.000 0.201 78 D C 2.654 178.944 176.300 -0.017 0.000 0.980 78 D CA 3.351 57.346 54.000 -0.010 0.000 0.842 78 D CB -0.355 40.443 40.800 -0.004 0.000 0.948 78 D HN -0.433 7.876 8.370 0.028 0.078 0.472 79 E N -0.580 119.643 120.200 0.039 0.000 2.106 79 E HA -0.240 nan 4.350 nan 0.000 0.192 79 E C 2.224 178.802 176.600 -0.035 0.000 0.984 79 E CA 2.964 59.368 56.400 0.007 0.000 0.806 79 E CB 0.016 29.802 29.700 0.143 0.000 0.750 79 E HN -0.587 7.706 8.360 0.079 0.115 0.458 80 V N 0.590 120.576 119.914 0.120 0.000 2.307 80 V HA -0.277 nan 4.120 nan 0.000 0.245 80 V C 2.765 178.731 176.094 -0.214 0.000 1.045 80 V CA 3.913 66.288 62.300 0.125 0.000 1.024 80 V CB -0.792 31.146 31.823 0.191 0.000 0.651 80 V HN -0.747 7.432 8.190 0.163 0.110 0.449 81 L N -1.242 119.801 121.223 -0.300 0.000 2.131 81 L HA -0.365 nan 4.340 nan 0.000 0.210 81 L C 0.988 177.628 176.870 -0.383 0.000 1.092 81 L CA 2.735 57.251 54.840 -0.540 0.000 0.759 81 L CB -0.298 41.607 42.059 -0.256 0.000 0.903 81 L HN 0.041 8.182 8.230 -0.147 0.000 0.435 82 A N -5.303 117.403 122.820 -0.189 0.000 2.235 82 A HA -0.021 nan 4.320 nan 0.000 0.208 82 A C 0.430 177.976 177.584 -0.064 0.000 1.172 82 A CA 0.296 52.272 52.037 -0.101 0.000 0.786 82 A CB 0.334 19.289 19.000 -0.076 0.000 0.804 82 A HN -0.333 7.608 8.150 -0.154 0.116 0.479 83 G N -2.084 106.680 108.800 -0.060 0.000 2.137 83 G HA2 -0.378 nan 3.960 nan 0.000 0.237 83 G HA3 -0.378 nan 3.960 nan 0.000 0.237 83 G C 1.018 175.909 174.900 -0.015 0.000 1.002 83 G CA 0.303 45.435 45.100 0.054 0.000 0.702 83 G HN -0.329 7.670 8.290 -0.142 0.206 0.515 84 Q N -0.858 118.841 119.800 -0.168 0.000 2.424 84 Q HA -0.068 nan 4.340 nan 0.000 0.204 84 Q C 0.212 175.964 176.000 -0.412 0.000 0.933 84 Q CA 1.148 56.747 55.803 -0.340 0.000 0.929 84 Q CB 0.594 29.018 28.738 -0.523 0.000 1.037 84 Q HN 0.148 8.268 8.270 -0.183 0.040 0.511 85 H N -3.077 116.091 119.070 0.164 0.000 2.665 85 H HA 0.400 nan 4.556 nan 0.000 0.248 85 H C -0.699 174.821 175.328 0.320 0.000 1.175 85 H CA -1.961 54.206 56.048 0.197 0.000 0.952 85 H CB -0.407 29.476 29.762 0.202 0.000 1.883 85 H HN -0.334 7.870 8.280 -0.025 0.061 0.623 86 D N 0.728 121.335 120.400 0.346 0.000 2.228 86 D HA -0.288 nan 4.640 nan 0.000 0.203 86 D C 0.576 177.081 176.300 0.341 0.000 0.988 86 D CA 3.499 57.714 54.000 0.359 0.000 0.864 86 D CB -0.525 40.405 40.800 0.216 0.000 0.928 86 D HN -0.240 8.266 8.370 0.227 0.000 0.469 87 D N -4.392 116.158 120.400 0.249 0.000 2.349 87 D HA -0.121 nan 4.640 nan 0.000 0.224 87 D C 0.481 176.908 176.300 0.212 0.000 1.029 87 D CA 1.280 55.403 54.000 0.205 0.000 0.879 87 D CB -0.878 40.014 40.800 0.153 0.000 0.906 87 D HN -0.021 8.449 8.370 0.229 0.037 0.528 88 E N -1.502 118.753 120.200 0.091 0.000 2.479 88 E HA 0.071 nan 4.350 nan 0.000 0.193 88 E C -1.147 175.087 176.600 -0.609 0.000 1.049 88 E CA 0.324 56.624 56.400 -0.166 0.000 0.870 88 E CB 0.504 29.932 29.700 -0.452 0.000 0.944 88 E HN -0.127 8.147 8.360 0.174 0.191 0.492 89 F N -1.198 118.826 119.950 0.123 0.000 2.453 89 F HA 0.327 nan 4.527 nan 0.000 0.358 89 F C -2.345 173.400 175.800 -0.091 0.000 1.129 89 F CA -2.890 55.099 58.000 -0.019 0.000 1.200 89 F CB 0.499 39.515 39.000 0.026 0.000 1.431 89 F HN -0.984 7.369 8.300 0.177 0.053 0.503 90 P HA 0.074 nan 4.420 nan 0.000 0.261 90 P C -1.533 175.677 177.300 -0.150 0.000 1.268 90 P CA -0.071 62.924 63.100 -0.175 0.000 0.833 90 P CB 0.243 31.724 31.700 -0.365 0.000 1.231 91 L N -0.818 120.320 121.223 -0.142 0.000 2.416 91 L HA -0.094 nan 4.340 nan 0.000 0.272 91 L C -0.430 176.388 176.870 -0.088 0.000 1.161 91 L CA -0.648 54.120 54.840 -0.119 0.000 0.845 91 L CB 0.195 42.172 42.059 -0.136 0.000 1.119 91 L HN -0.443 7.644 8.230 -0.114 0.074 0.464 92 A N 2.638 125.415 122.820 -0.071 0.000 2.346 92 A HA -0.073 nan 4.320 nan 0.000 0.252 92 A C 0.228 177.651 177.584 -0.268 0.000 1.089 92 A CA -0.022 51.959 52.037 -0.093 0.000 0.797 92 A CB 0.507 19.545 19.000 0.064 0.000 1.047 92 A HN -0.019 8.112 8.150 -0.032 0.000 0.494 93 I N -2.107 118.137 120.570 -0.543 0.000 2.439 93 I HA -0.233 nan 4.170 nan 0.000 0.251 93 I C 0.445 176.070 176.117 -0.820 0.000 1.139 93 I CA 1.790 62.606 61.300 -0.807 0.000 1.438 93 I CB 0.431 37.635 38.000 -1.327 0.000 1.085 93 I HN 0.197 7.977 8.210 -0.558 0.096 0.427 94 W N -1.597 119.641 121.300 -0.103 0.000 1.606 94 W HA -0.117 nan 4.660 nan 0.000 0.455 94 W C -1.116 175.317 176.519 -0.144 0.000 0.711 94 W CA -1.061 56.236 57.345 -0.079 0.000 1.876 94 W CB -2.571 26.885 29.460 -0.007 0.000 1.776 94 W HN -0.175 7.448 8.180 -0.888 0.024 0.229 95 Q N -1.161 118.474 119.800 -0.275 0.000 3.375 95 Q HA 0.156 nan 4.340 nan 0.000 0.295 95 Q C -0.980 174.665 176.000 -0.591 0.000 0.996 95 Q CA -1.383 53.950 55.803 -0.784 0.000 0.801 95 Q CB 1.072 29.379 28.738 -0.719 0.000 2.066 95 Q HN -0.447 7.618 8.270 -0.268 0.044 0.424 96 T N 0.060 114.230 114.554 -0.641 0.000 2.867 96 T HA 0.009 nan 4.350 nan 0.000 0.297 96 T C 1.909 176.411 174.700 -0.331 0.000 0.989 96 T CA -0.096 61.785 62.100 -0.365 0.000 1.159 96 T CB 0.388 69.082 68.868 -0.290 0.000 0.928 96 T HN -0.071 7.681 8.240 -0.814 0.000 0.538 97 G N 5.964 114.606 108.800 -0.263 0.000 2.537 97 G HA2 -0.253 nan 3.960 nan 0.000 0.220 97 G HA3 -0.253 nan 3.960 nan 0.000 0.220 97 G C 0.037 174.795 174.900 -0.238 0.000 1.111 97 G CA 2.235 47.179 45.100 -0.259 0.000 0.748 97 G HN 0.710 8.863 8.290 -0.229 0.000 0.564 98 S N -1.866 113.678 115.700 -0.260 0.000 2.524 98 S HA -0.050 nan 4.470 nan 0.000 0.216 98 S C 0.798 175.081 174.600 -0.528 0.000 0.987 98 S CA -0.642 57.411 58.200 -0.245 0.000 0.909 98 S CB 0.661 63.773 63.200 -0.146 0.000 0.781 98 S HN -0.899 7.192 8.310 -0.256 0.065 0.521 99 G N 1.194 109.553 108.800 -0.736 0.000 2.147 99 G HA2 -0.363 nan 3.960 nan 0.000 0.244 99 G HA3 -0.363 nan 3.960 nan 0.000 0.244 99 G C 0.554 175.079 174.900 -0.624 0.000 1.005 99 G CA 0.566 44.947 45.100 -1.198 0.000 0.713 99 G HN 0.105 7.900 8.290 -0.556 0.162 0.515 100 T N 2.992 117.327 114.554 -0.366 0.000 2.684 100 T HA -0.471 nan 4.350 nan 0.000 0.267 100 T C 1.643 176.249 174.700 -0.156 0.000 1.036 100 T CA 5.425 67.409 62.100 -0.192 0.000 1.148 100 T CB -0.398 68.388 68.868 -0.137 0.000 0.863 100 T HN -0.361 7.616 8.240 -0.369 0.041 0.436 101 Q N 0.805 120.482 119.800 -0.204 0.000 2.096 101 Q HA -0.362 nan 4.340 nan 0.000 0.204 101 Q C 2.554 178.489 176.000 -0.109 0.000 0.982 101 Q CA 3.386 59.095 55.803 -0.157 0.000 0.850 101 Q CB -0.361 28.244 28.738 -0.222 0.000 0.901 101 Q HN -0.015 8.162 8.270 -0.275 -0.072 0.422 102 S N 0.170 115.794 115.700 -0.126 0.000 2.406 102 S HA -0.323 nan 4.470 nan 0.000 0.228 102 S C 1.846 176.488 174.600 0.071 0.000 1.020 102 S CA 2.918 61.116 58.200 -0.003 0.000 0.965 102 S CB -0.228 62.996 63.200 0.040 0.000 0.798 102 S HN -0.488 7.898 8.310 -0.226 -0.212 0.488 103 N N 2.757 121.479 118.700 0.038 0.000 2.084 103 N HA -0.232 nan 4.740 nan 0.000 0.190 103 N C 2.004 177.551 175.510 0.062 0.000 1.030 103 N CA 2.998 56.094 53.050 0.076 0.000 0.849 103 N CB -0.067 38.452 38.487 0.054 0.000 1.012 103 N HN -0.397 7.866 8.380 -0.046 0.090 0.423 104 M N -0.616 119.000 119.600 0.026 0.000 2.229 104 M HA -0.282 nan 4.480 nan 0.000 0.264 104 M C 2.096 178.428 176.300 0.053 0.000 1.063 104 M CA 1.614 56.931 55.300 0.029 0.000 1.114 104 M CB -1.430 31.172 32.600 0.003 0.000 1.387 104 M HN 0.307 8.594 8.290 -0.006 0.000 0.420 105 N N 0.988 119.725 118.700 0.061 0.000 2.069 105 N HA -0.309 nan 4.740 nan 0.000 0.191 105 N C 2.078 177.706 175.510 0.197 0.000 1.031 105 N CA 3.337 56.443 53.050 0.093 0.000 0.852 105 N CB -0.105 38.458 38.487 0.127 0.000 1.018 105 N HN -0.069 8.232 8.380 0.041 0.103 0.423 106 M N -0.107 119.650 119.600 0.262 0.000 2.175 106 M HA -0.248 nan 4.480 nan 0.000 0.264 106 M C 1.713 178.113 176.300 0.168 0.000 1.063 106 M CA 2.520 58.001 55.300 0.301 0.000 1.119 106 M CB -0.280 32.444 32.600 0.208 0.000 1.377 106 M HN -0.198 8.221 8.290 0.215 0.000 0.415 107 N N -0.007 118.759 118.700 0.110 0.000 2.084 107 N HA -0.350 nan 4.740 nan 0.000 0.190 107 N C 2.542 178.089 175.510 0.061 0.000 1.030 107 N CA 3.347 56.441 53.050 0.072 0.000 0.849 107 N CB -0.500 38.019 38.487 0.052 0.000 1.012 107 N HN -0.064 8.311 8.380 0.108 0.070 0.423 108 E N 0.856 121.095 120.200 0.065 0.000 2.047 108 E HA -0.286 nan 4.350 nan 0.000 0.191 108 E C 2.363 178.985 176.600 0.037 0.000 0.987 108 E CA 3.208 59.641 56.400 0.055 0.000 0.799 108 E CB 0.077 29.824 29.700 0.079 0.000 0.752 108 E HN -0.054 8.351 8.360 0.075 0.000 0.449 109 V N 0.563 120.501 119.914 0.040 0.000 2.287 109 V HA -0.348 nan 4.120 nan 0.000 0.248 109 V C 2.147 178.223 176.094 -0.031 0.000 1.053 109 V CA 4.684 66.967 62.300 -0.028 0.000 1.027 109 V CB -0.803 30.971 31.823 -0.081 0.000 0.646 109 V HN -0.218 8.015 8.190 0.070 0.000 0.447 110 L N -2.670 118.572 121.223 0.031 0.000 2.156 110 L HA -0.337 nan 4.340 nan 0.000 0.208 110 L C 2.089 178.963 176.870 0.007 0.000 1.095 110 L CA 3.010 57.864 54.840 0.025 0.000 0.770 110 L CB -0.995 41.098 42.059 0.058 0.000 0.914 110 L HN -0.070 8.205 8.230 0.075 0.000 0.439 111 A N 0.180 123.006 122.820 0.011 0.000 1.873 111 A HA -0.352 nan 4.320 nan 0.000 0.215 111 A C 2.095 179.672 177.584 -0.011 0.000 1.186 111 A CA 3.383 55.422 52.037 0.004 0.000 0.616 111 A CB -0.826 18.180 19.000 0.011 0.000 0.823 111 A HN 0.394 8.473 8.150 0.022 0.084 0.442 112 N N -1.606 117.080 118.700 -0.023 0.000 2.120 112 N HA -0.270 nan 4.740 nan 0.000 0.188 112 N C 2.386 177.865 175.510 -0.052 0.000 1.024 112 N CA 2.941 55.966 53.050 -0.041 0.000 0.852 112 N CB -0.294 38.158 38.487 -0.059 0.000 1.003 112 N HN 0.081 8.451 8.380 -0.017 0.000 0.424 113 R N 0.480 120.939 120.500 -0.068 0.000 2.073 113 R HA -0.149 nan 4.340 nan 0.000 0.229 113 R C 1.767 178.052 176.300 -0.026 0.000 1.120 113 R CA 2.260 58.318 56.100 -0.070 0.000 0.967 113 R CB -0.475 29.744 30.300 -0.135 0.000 0.862 113 R HN -0.097 8.129 8.270 -0.074 0.000 0.436 114 A N -1.444 121.368 122.820 -0.014 0.000 1.969 114 A HA -0.177 nan 4.320 nan 0.000 0.218 114 A C 1.968 179.551 177.584 -0.003 0.000 1.169 114 A CA 2.867 54.904 52.037 -0.000 0.000 0.635 114 A CB -1.150 17.853 19.000 0.006 0.000 0.810 114 A HN 0.101 8.132 8.150 -0.018 0.107 0.445 115 S N -1.133 114.561 115.700 -0.009 0.000 2.353 115 S HA -0.411 nan 4.470 nan 0.000 0.222 115 S C 2.209 176.803 174.600 -0.010 0.000 1.035 115 S CA 3.542 61.736 58.200 -0.010 0.000 1.025 115 S CB -0.217 62.974 63.200 -0.015 0.000 0.902 115 S HN -0.340 7.945 8.310 -0.014 0.017 0.440 116 E N 1.526 121.718 120.200 -0.014 0.000 2.085 116 E HA -0.332 nan 4.350 nan 0.000 0.194 116 E C 3.035 179.633 176.600 -0.002 0.000 0.994 116 E CA 2.794 59.188 56.400 -0.010 0.000 0.801 116 E CB -0.140 29.552 29.700 -0.014 0.000 0.743 116 E HN -0.728 7.621 8.360 -0.020 0.000 0.453 117 L N -1.498 119.727 121.223 0.002 0.000 2.191 117 L HA -0.214 nan 4.340 nan 0.000 0.212 117 L C 0.965 177.838 176.870 0.005 0.000 1.103 117 L CA 2.505 57.350 54.840 0.008 0.000 0.769 117 L CB -0.133 41.935 42.059 0.014 0.000 0.908 117 L HN -0.291 7.860 8.230 0.000 0.079 0.438 118 L N -3.974 117.250 121.223 0.002 0.000 2.685 118 L HA 0.168 nan 4.340 nan 0.000 0.233 118 L C 0.266 177.135 176.870 -0.001 0.000 1.173 118 L CA -0.753 54.088 54.840 0.001 0.000 0.961 118 L CB -0.312 41.747 42.059 0.000 0.000 1.217 118 L HN -0.477 7.592 8.230 0.000 0.161 0.478 119 G N -1.769 107.030 108.800 -0.001 0.000 2.179 119 G HA2 -0.399 nan 3.960 nan 0.000 0.260 119 G HA3 -0.399 nan 3.960 nan 0.000 0.260 119 G C 0.085 174.982 174.900 -0.005 0.000 0.977 119 G CA 0.271 45.370 45.100 -0.003 0.000 0.641 119 G HN 0.023 8.122 8.290 -0.000 0.192 0.533 120 G N -0.946 107.850 108.800 -0.007 0.000 2.525 120 G HA2 0.376 nan 3.960 nan 0.000 0.287 120 G HA3 0.376 nan 3.960 nan 0.000 0.287 120 G C -2.249 172.642 174.900 -0.013 0.000 1.350 120 G CA -1.105 43.989 45.100 -0.009 0.000 1.039 120 G HN -0.341 7.884 8.290 -0.006 0.062 0.513 121 V N -1.026 118.878 119.914 -0.017 0.000 3.019 121 V HA 0.522 nan 4.120 nan 0.000 0.317 121 V C -1.365 174.712 176.094 -0.028 0.000 1.094 121 V CA -3.291 58.995 62.300 -0.023 0.000 1.000 121 V CB 3.726 35.536 31.823 -0.022 0.000 1.060 121 V HN 0.287 8.468 8.190 -0.015 0.000 0.443 122 R N 1.677 122.154 120.500 -0.038 0.000 2.543 122 R HA 0.449 nan 4.340 nan 0.000 0.268 122 R C 0.287 176.561 176.300 -0.043 0.000 1.067 122 R CA -0.534 55.538 56.100 -0.047 0.000 1.142 122 R CB 0.888 31.147 30.300 -0.069 0.000 1.110 122 R HN 0.466 8.711 8.270 -0.041 0.000 0.549 123 G N 0.345 109.120 108.800 -0.040 0.000 2.549 123 G HA2 -0.260 nan 3.960 nan 0.000 0.404 123 G HA3 -0.260 nan 3.960 nan 0.000 0.404 123 G C 0.155 175.043 174.900 -0.020 0.000 1.292 123 G CA -0.545 44.535 45.100 -0.033 0.000 0.935 123 G HN 0.031 8.628 8.290 -0.040 -0.331 0.512 124 M N 0.292 119.883 119.600 -0.015 0.000 2.530 124 M HA -0.223 nan 4.480 nan 0.000 0.261 124 M C 0.481 176.776 176.300 -0.009 0.000 1.067 124 M CA 0.945 56.240 55.300 -0.009 0.000 1.071 124 M CB -1.041 31.556 32.600 -0.006 0.000 1.405 124 M HN 0.555 8.834 8.290 -0.018 0.000 0.478 125 E N -2.764 117.429 120.200 -0.012 0.000 2.609 125 E HA 0.154 nan 4.350 nan 0.000 0.208 125 E C -0.444 176.149 176.600 -0.011 0.000 1.013 125 E CA -1.209 55.185 56.400 -0.010 0.000 1.093 125 E CB -0.233 29.461 29.700 -0.011 0.000 1.129 125 E HN -0.046 8.238 8.360 -0.015 0.067 0.450 126 R N -1.497 118.996 120.500 -0.011 0.000 2.774 126 R HA -0.041 nan 4.340 nan 0.000 0.269 126 R C -0.096 176.199 176.300 -0.008 0.000 1.068 126 R CA 0.079 56.172 56.100 -0.012 0.000 1.180 126 R CB 0.732 31.024 30.300 -0.013 0.000 1.077 126 R HN -0.327 7.857 8.270 -0.011 0.080 0.513 127 K N -2.313 118.083 120.400 -0.007 0.000 2.314 127 K HA 0.015 nan 4.320 nan 0.000 0.198 127 K C -1.195 175.403 176.600 -0.003 0.000 1.045 127 K CA 1.554 57.838 56.287 -0.005 0.000 0.988 127 K CB 0.802 33.300 32.500 -0.004 0.000 0.783 127 K HN 0.252 8.497 8.250 -0.009 0.000 0.484 128 V N -2.364 117.548 119.914 -0.002 0.000 2.495 128 V HA 0.215 nan 4.120 nan 0.000 0.298 128 V C -0.908 175.187 176.094 0.002 0.000 1.031 128 V CA -1.576 60.724 62.300 0.000 0.000 0.871 128 V CB 0.420 32.244 31.823 0.002 0.000 0.988 128 V HN -0.444 7.744 8.190 -0.004 0.000 0.432 129 N N 7.234 125.936 118.700 0.003 0.000 2.455 129 N HA 0.405 nan 4.740 nan 0.000 0.280 129 N C -0.886 174.629 175.510 0.009 0.000 1.055 129 N CA -2.630 50.423 53.050 0.005 0.000 0.961 129 N CB 2.995 41.484 38.487 0.003 0.000 1.121 129 N HN 0.326 9.092 8.380 0.003 -0.384 0.476 130 P HA -0.240 nan 4.420 nan 0.000 0.214 130 P C 1.214 178.524 177.300 0.017 0.000 1.163 130 P CA 2.910 66.022 63.100 0.020 0.000 0.883 130 P CB 0.657 32.371 31.700 0.024 0.000 0.788 131 N N -3.663 115.044 118.700 0.013 0.000 2.092 131 N HA -0.205 nan 4.740 nan 0.000 0.189 131 N C 1.008 176.520 175.510 0.002 0.000 1.040 131 N CA 3.311 56.366 53.050 0.008 0.000 0.845 131 N CB 0.199 38.690 38.487 0.006 0.000 1.017 131 N HN -0.197 8.293 8.380 0.012 -0.102 0.426 132 D N -2.649 117.751 120.400 0.000 0.000 2.178 132 D HA -0.119 nan 4.640 nan 0.000 0.202 132 D C 1.252 177.549 176.300 -0.006 0.000 0.974 132 D CA 2.990 56.987 54.000 -0.005 0.000 0.841 132 D CB 0.308 41.106 40.800 -0.004 0.000 0.953 132 D HN 0.007 8.725 8.370 0.002 -0.347 0.478 133 D N -0.635 119.765 120.400 -0.000 0.000 2.652 133 D HA 0.092 nan 4.640 nan 0.000 0.261 133 D C 2.849 179.153 176.300 0.007 0.000 1.024 133 D CA 2.543 56.543 54.000 0.001 0.000 0.958 133 D CB 0.931 41.733 40.800 0.004 0.000 1.113 133 D HN -0.428 7.944 8.370 0.003 0.000 0.471 134 V N 0.235 120.157 119.914 0.013 0.000 2.453 134 V HA -0.248 nan 4.120 nan 0.000 0.247 134 V C 1.291 177.400 176.094 0.024 0.000 1.048 134 V CA 3.182 65.495 62.300 0.022 0.000 1.049 134 V CB -0.267 31.574 31.823 0.030 0.000 0.672 134 V HN -0.376 7.822 8.190 0.013 0.000 0.457 135 N N -2.565 116.145 118.700 0.017 0.000 2.295 135 N HA 0.023 nan 4.740 nan 0.000 0.221 135 N C -1.290 174.218 175.510 -0.003 0.000 1.129 135 N CA -0.808 52.251 53.050 0.016 0.000 0.836 135 N CB 0.524 39.020 38.487 0.015 0.000 1.040 135 N HN -0.334 8.055 8.380 0.014 0.000 0.494 136 K N 1.079 121.472 120.400 -0.011 0.000 2.447 136 K HA -0.137 nan 4.320 nan 0.000 0.281 136 K C -0.509 176.032 176.600 -0.097 0.000 1.031 136 K CA 1.612 57.873 56.287 -0.044 0.000 1.019 136 K CB -0.011 32.467 32.500 -0.037 0.000 0.918 136 K HN -0.951 7.196 8.250 0.000 0.103 0.476 137 S N 0.474 116.081 115.700 -0.156 0.000 3.084 137 S HA -0.270 nan 4.470 nan 0.000 0.277 137 S C -0.681 173.790 174.600 -0.215 0.000 1.295 137 S CA 1.507 59.518 58.200 -0.315 0.000 1.170 137 S CB -0.409 62.366 63.200 -0.709 0.000 1.412 137 S HN 0.368 8.609 8.310 -0.114 0.000 0.669 138 Q N -1.405 118.355 119.800 -0.067 0.000 2.486 138 Q HA 0.452 nan 4.340 nan 0.000 0.274 138 Q C -1.552 174.452 176.000 0.006 0.000 1.076 138 Q CA -1.265 54.545 55.803 0.012 0.000 0.872 138 Q CB 2.743 31.510 28.738 0.050 0.000 1.383 138 Q HN -0.551 7.639 8.270 -0.056 0.046 0.478 139 S N -1.726 113.988 115.700 0.023 0.000 2.550 139 S HA 0.291 nan 4.470 nan 0.000 0.270 139 S C -0.361 174.256 174.600 0.027 0.000 1.145 139 S CA -1.484 56.726 58.200 0.016 0.000 0.852 139 S CB 1.822 65.029 63.200 0.012 0.000 1.119 139 S HN 0.117 8.586 8.310 0.038 -0.136 0.465 140 S N 4.703 120.414 115.700 0.019 0.000 2.382 140 S HA -0.357 nan 4.470 nan 0.000 0.228 140 S C 1.882 176.507 174.600 0.043 0.000 1.027 140 S CA 3.725 61.940 58.200 0.026 0.000 0.991 140 S CB -0.145 63.043 63.200 -0.021 0.000 0.823 140 S HN 0.621 8.935 8.310 0.007 0.000 0.469 141 N N -1.556 117.158 118.700 0.023 0.000 2.192 141 N HA -0.294 nan 4.740 nan 0.000 0.188 141 N C 0.485 176.013 175.510 0.030 0.000 1.013 141 N CA 2.562 55.629 53.050 0.027 0.000 0.863 141 N CB -0.361 38.138 38.487 0.021 0.000 0.990 141 N HN -0.366 8.011 8.380 0.013 0.011 0.430 142 D N -5.063 115.351 120.400 0.024 0.000 2.417 142 D HA 0.041 nan 4.640 nan 0.000 0.207 142 D C 1.253 177.554 176.300 0.001 0.000 1.075 142 D CA 0.371 54.373 54.000 0.002 0.000 0.851 142 D CB 1.102 41.902 40.800 0.000 0.000 0.976 142 D HN -0.611 7.644 8.370 0.028 0.133 0.505 143 V N 1.034 120.970 119.914 0.037 0.000 2.346 143 V HA -0.208 nan 4.120 nan 0.000 0.244 143 V C 1.423 177.537 176.094 0.033 0.000 1.037 143 V CA 4.340 66.659 62.300 0.032 0.000 1.029 143 V CB -0.564 31.295 31.823 0.061 0.000 0.663 143 V HN -0.408 7.707 8.190 0.053 0.107 0.454 144 F N -0.284 119.626 119.950 -0.066 0.000 2.095 144 F HA -0.190 nan 4.527 nan 0.000 0.298 144 F C -1.509 174.234 175.800 -0.096 0.000 1.104 144 F CA 5.885 63.841 58.000 -0.074 0.000 1.232 144 F CB -2.622 36.338 39.000 -0.066 0.000 0.987 144 F HN 0.023 8.463 8.300 0.233 0.000 0.475 145 P HA -0.190 nan 4.420 nan 0.000 0.217 145 P C 1.411 178.510 177.300 -0.334 0.000 1.150 145 P CA 3.372 66.353 63.100 -0.198 0.000 0.832 145 P CB -0.490 31.112 31.700 -0.163 0.000 0.787 146 T N -0.063 114.345 114.554 -0.244 0.000 2.708 146 T HA -0.265 nan 4.350 nan 0.000 0.266 146 T C 1.646 176.207 174.700 -0.233 0.000 1.037 146 T CA 5.179 67.137 62.100 -0.237 0.000 1.146 146 T CB -0.630 68.130 68.868 -0.181 0.000 0.865 146 T HN -0.672 7.461 8.240 -0.166 0.008 0.435 147 A N 1.249 123.915 122.820 -0.256 0.000 1.933 147 A HA -0.239 nan 4.320 nan 0.000 0.218 147 A C 1.865 179.283 177.584 -0.277 0.000 1.175 147 A CA 3.204 55.076 52.037 -0.274 0.000 0.628 147 A CB -0.977 17.824 19.000 -0.332 0.000 0.814 147 A HN -0.001 7.913 8.150 -0.253 0.084 0.444 148 M N -1.660 117.736 119.600 -0.340 0.000 2.086 148 M HA -0.512 nan 4.480 nan 0.000 0.261 148 M C 2.410 178.708 176.300 -0.004 0.000 1.067 148 M CA 4.411 59.578 55.300 -0.222 0.000 1.116 148 M CB -0.025 32.452 32.600 -0.205 0.000 1.348 148 M HN 0.085 8.032 8.290 -0.419 0.091 0.407 149 H N -1.274 117.700 119.070 -0.160 0.000 2.428 149 H HA -0.135 nan 4.556 nan 0.000 0.296 149 H C 2.579 177.961 175.328 0.089 0.000 1.062 149 H CA 2.954 58.968 56.048 -0.056 0.000 1.350 149 H CB -0.651 29.108 29.762 -0.005 0.000 1.403 149 H HN -0.380 7.897 8.280 -0.006 0.000 0.533 150 V N 0.133 120.113 119.914 0.109 0.000 2.261 150 V HA -0.454 nan 4.120 nan 0.000 0.246 150 V C 1.668 177.864 176.094 0.169 0.000 1.047 150 V CA 4.768 67.132 62.300 0.105 0.000 1.015 150 V CB -1.099 30.610 31.823 -0.189 0.000 0.642 150 V HN 0.053 8.234 8.190 -0.015 0.000 0.446 151 A N -1.879 120.969 122.820 0.048 0.000 1.877 151 A HA -0.368 nan 4.320 nan 0.000 0.216 151 A C 1.722 179.356 177.584 0.082 0.000 1.186 151 A CA 3.379 55.441 52.037 0.042 0.000 0.620 151 A CB -0.836 18.153 19.000 -0.019 0.000 0.822 151 A HN -0.184 7.956 8.150 -0.016 0.000 0.443 152 A N -1.034 121.823 122.820 0.063 0.000 1.859 152 A HA -0.299 nan 4.320 nan 0.000 0.217 152 A C 1.825 179.474 177.584 0.108 0.000 1.198 152 A CA 2.995 55.087 52.037 0.092 0.000 0.629 152 A CB -0.750 18.115 19.000 -0.226 0.000 0.830 152 A HN -0.217 7.944 8.150 0.019 0.000 0.446 153 L N -1.740 119.521 121.223 0.065 0.000 2.046 153 L HA -0.298 nan 4.340 nan 0.000 0.208 153 L C 2.005 178.886 176.870 0.018 0.000 1.077 153 L CA 3.016 57.863 54.840 0.012 0.000 0.747 153 L CB -0.044 41.967 42.059 -0.080 0.000 0.896 153 L HN -0.283 7.999 8.230 0.088 0.000 0.432 154 L N -2.395 118.877 121.223 0.082 0.000 2.093 154 L HA -0.435 nan 4.340 nan 0.000 0.208 154 L C 1.922 178.819 176.870 0.044 0.000 1.085 154 L CA 3.209 58.087 54.840 0.064 0.000 0.755 154 L CB -0.835 41.288 42.059 0.107 0.000 0.904 154 L HN -0.300 8.017 8.230 0.146 0.000 0.435 155 A N -0.219 122.636 122.820 0.059 0.000 1.930 155 A HA -0.284 nan 4.320 nan 0.000 0.217 155 A C 1.930 179.529 177.584 0.025 0.000 1.175 155 A CA 3.239 55.302 52.037 0.043 0.000 0.627 155 A CB -0.860 18.177 19.000 0.062 0.000 0.815 155 A HN 0.001 8.200 8.150 0.081 0.000 0.443 156 L N -2.456 118.792 121.223 0.042 0.000 2.027 156 L HA -0.456 nan 4.340 nan 0.000 0.206 156 L C 2.404 179.268 176.870 -0.011 0.000 1.074 156 L CA 3.387 58.237 54.840 0.016 0.000 0.745 156 L CB -0.330 41.754 42.059 0.042 0.000 0.898 156 L HN -0.150 8.125 8.230 0.075 0.000 0.433 157 R N -2.617 117.874 120.500 -0.015 0.000 2.073 157 R HA -0.291 nan 4.340 nan 0.000 0.229 157 R C 1.804 178.091 176.300 -0.022 0.000 1.120 157 R CA 3.214 59.295 56.100 -0.031 0.000 0.967 157 R CB 0.076 30.346 30.300 -0.050 0.000 0.862 157 R HN -0.134 8.131 8.270 -0.008 0.000 0.436 158 K N -4.183 116.212 120.400 -0.010 0.000 2.284 158 K HA -0.028 nan 4.320 nan 0.000 0.198 158 K C 1.395 177.991 176.600 -0.008 0.000 1.048 158 K CA 1.500 57.783 56.287 -0.006 0.000 0.987 158 K CB 0.385 32.889 32.500 0.006 0.000 0.800 158 K HN -0.066 8.070 8.250 -0.002 0.112 0.486 159 Q N -1.472 118.322 119.800 -0.010 0.000 2.389 159 Q HA 0.002 nan 4.340 nan 0.000 0.198 159 Q C 1.589 177.574 176.000 -0.026 0.000 0.967 159 Q CA 2.087 57.880 55.803 -0.016 0.000 0.863 159 Q CB 1.050 29.779 28.738 -0.016 0.000 0.987 159 Q HN -0.346 7.813 8.270 -0.007 0.106 0.557 160 L N 1.099 122.302 121.223 -0.033 0.000 1.943 160 L HA -0.309 nan 4.340 nan 0.000 0.215 160 L C 1.797 178.642 176.870 -0.040 0.000 1.074 160 L CA 3.106 57.918 54.840 -0.046 0.000 0.759 160 L CB -0.329 41.693 42.059 -0.061 0.000 0.888 160 L HN -0.330 7.883 8.230 -0.029 0.000 0.433 161 I N -2.189 118.358 120.570 -0.038 0.000 2.113 161 I HA -0.459 nan 4.170 nan 0.000 0.242 161 I C -0.975 175.123 176.117 -0.032 0.000 1.064 161 I CA 6.046 67.324 61.300 -0.038 0.000 1.320 161 I CB -2.904 35.072 38.000 -0.041 0.000 1.028 161 I HN 0.074 8.262 8.210 -0.036 0.000 0.406 162 P HA -0.225 nan 4.420 nan 0.000 0.215 162 P C 1.748 179.035 177.300 -0.021 0.000 1.153 162 P CA 3.117 66.203 63.100 -0.024 0.000 0.853 162 P CB -0.553 31.135 31.700 -0.021 0.000 0.788 163 Q N -2.880 116.907 119.800 -0.022 0.000 2.119 163 Q HA -0.243 nan 4.340 nan 0.000 0.201 163 Q C 2.613 178.606 176.000 -0.012 0.000 0.972 163 Q CA 2.402 58.195 55.803 -0.017 0.000 0.847 163 Q CB -0.838 27.888 28.738 -0.020 0.000 0.903 163 Q HN -0.517 7.738 8.270 -0.024 0.000 0.433 164 L N 0.776 121.988 121.223 -0.019 0.000 2.017 164 L HA -0.339 nan 4.340 nan 0.000 0.208 164 L C 1.483 178.349 176.870 -0.007 0.000 1.073 164 L CA 3.104 57.935 54.840 -0.015 0.000 0.745 164 L CB -0.384 41.659 42.059 -0.026 0.000 0.894 164 L HN -0.048 8.075 8.230 -0.026 0.092 0.432 165 K N -1.711 118.680 120.400 -0.015 0.000 2.097 165 K HA -0.406 nan 4.320 nan 0.000 0.206 165 K C 2.470 179.067 176.600 -0.006 0.000 1.049 165 K CA 3.880 60.158 56.287 -0.014 0.000 0.933 165 K CB -0.326 32.160 32.500 -0.023 0.000 0.717 165 K HN 0.111 8.348 8.250 -0.021 0.000 0.442 166 T N 2.806 117.357 114.554 -0.006 0.000 2.737 166 T HA -0.202 nan 4.350 nan 0.000 0.265 166 T C 1.981 176.687 174.700 0.010 0.000 1.038 166 T CA 4.488 66.586 62.100 -0.004 0.000 1.144 166 T CB -0.461 68.401 68.868 -0.010 0.000 0.866 166 T HN -0.370 7.781 8.240 -0.009 0.083 0.434 167 L N 0.411 121.649 121.223 0.026 0.000 2.046 167 L HA -0.348 nan 4.340 nan 0.000 0.208 167 L C 1.264 178.174 176.870 0.066 0.000 1.077 167 L CA 3.373 58.248 54.840 0.059 0.000 0.747 167 L CB -0.345 41.765 42.059 0.084 0.000 0.896 167 L HN -0.152 8.089 8.230 0.019 0.000 0.432 168 T N 1.735 116.317 114.554 0.047 0.000 2.720 168 T HA -0.451 nan 4.350 nan 0.000 0.268 168 T C 2.121 176.843 174.700 0.036 0.000 1.037 168 T CA 5.003 67.132 62.100 0.049 0.000 1.144 168 T CB -0.676 68.207 68.868 0.025 0.000 0.864 168 T HN -0.094 8.165 8.240 0.033 0.000 0.444 169 Q N 1.132 120.941 119.800 0.016 0.000 2.084 169 Q HA -0.369 nan 4.340 nan 0.000 0.202 169 Q C 2.012 178.013 176.000 0.002 0.000 0.978 169 Q CA 3.722 59.526 55.803 0.002 0.000 0.844 169 Q CB -0.102 28.631 28.738 -0.008 0.000 0.898 169 Q HN -0.128 8.069 8.270 0.012 0.080 0.426 170 T N 3.510 118.072 114.554 0.013 0.000 2.652 170 T HA -0.288 nan 4.350 nan 0.000 0.267 170 T C 2.387 177.101 174.700 0.024 0.000 1.039 170 T CA 5.067 67.173 62.100 0.010 0.000 1.153 170 T CB -0.469 68.408 68.868 0.015 0.000 0.863 170 T HN -0.195 7.980 8.240 0.019 0.076 0.428 171 L N 0.329 121.599 121.223 0.077 0.000 2.083 171 L HA -0.303 nan 4.340 nan 0.000 0.209 171 L C 1.630 178.528 176.870 0.046 0.000 1.083 171 L CA 2.289 57.204 54.840 0.126 0.000 0.752 171 L CB -1.351 40.851 42.059 0.238 0.000 0.899 171 L HN 0.078 8.361 8.230 0.088 0.000 0.433 172 N N -0.472 118.241 118.700 0.021 0.000 2.120 172 N HA -0.387 nan 4.740 nan 0.000 0.188 172 N C 2.059 177.533 175.510 -0.060 0.000 1.024 172 N CA 3.837 56.878 53.050 -0.015 0.000 0.852 172 N CB 0.162 38.642 38.487 -0.011 0.000 1.003 172 N HN -0.020 8.283 8.380 0.033 0.097 0.424 173 E N 0.267 120.426 120.200 -0.068 0.000 2.077 173 E HA -0.357 nan 4.350 nan 0.000 0.193 173 E C 2.528 179.000 176.600 -0.213 0.000 0.989 173 E CA 3.304 59.638 56.400 -0.111 0.000 0.800 173 E CB -0.102 29.544 29.700 -0.088 0.000 0.746 173 E HN -0.166 8.086 8.360 -0.042 0.083 0.452 174 K N -1.475 118.787 120.400 -0.231 0.000 2.097 174 K HA -0.252 nan 4.320 nan 0.000 0.206 174 K C 2.463 178.760 176.600 -0.505 0.000 1.049 174 K CA 2.296 58.298 56.287 -0.474 0.000 0.933 174 K CB -0.620 31.762 32.500 -0.197 0.000 0.717 174 K HN -0.250 7.924 8.250 -0.127 0.000 0.442 175 S N -0.341 115.226 115.700 -0.221 0.000 2.359 175 S HA -0.238 nan 4.470 nan 0.000 0.224 175 S C 1.914 176.425 174.600 -0.148 0.000 1.035 175 S CA 2.562 60.676 58.200 -0.144 0.000 1.018 175 S CB -0.086 63.063 63.200 -0.085 0.000 0.876 175 S HN 0.174 8.197 8.310 -0.146 0.199 0.448 176 R N -0.648 119.760 120.500 -0.153 0.000 2.081 176 R HA -0.161 nan 4.340 nan 0.000 0.235 176 R C 2.101 178.319 176.300 -0.136 0.000 1.131 176 R CA 2.556 58.587 56.100 -0.116 0.000 0.960 176 R CB 0.245 30.488 30.300 -0.096 0.000 0.856 176 R HN -0.521 7.659 8.270 -0.151 0.000 0.436 177 A N 0.241 122.899 122.820 -0.269 0.000 1.902 177 A HA -0.111 nan 4.320 nan 0.000 0.217 177 A C 1.571 179.124 177.584 -0.052 0.000 1.181 177 A CA 2.575 54.454 52.037 -0.262 0.000 0.623 177 A CB -0.152 18.544 19.000 -0.507 0.000 0.818 177 A HN -0.386 7.553 8.150 -0.352 0.000 0.443 178 F N -4.767 115.174 119.950 -0.016 0.000 2.713 178 F HA 0.199 nan 4.527 nan 0.000 0.294 178 F C -0.408 175.374 175.800 -0.030 0.000 1.152 178 F CA -3.698 54.289 58.000 -0.021 0.000 1.385 178 F CB -2.232 36.751 39.000 -0.027 0.000 0.981 178 F HN -0.425 7.598 8.300 -0.462 0.000 0.514 179 A N 0.271 123.150 122.820 0.098 0.000 2.015 179 A HA -0.268 nan 4.320 nan 0.000 0.219 179 A C 0.578 178.189 177.584 0.046 0.000 1.163 179 A CA 3.120 55.184 52.037 0.045 0.000 0.646 179 A CB -0.376 18.629 19.000 0.008 0.000 0.806 179 A HN -0.636 7.452 8.150 0.058 0.096 0.448 180 D N -5.626 114.810 120.400 0.061 0.000 2.349 180 D HA -0.053 nan 4.640 nan 0.000 0.214 180 D C -0.381 175.944 176.300 0.042 0.000 1.063 180 D CA -0.744 53.282 54.000 0.043 0.000 0.847 180 D CB -0.051 40.773 40.800 0.039 0.000 0.933 180 D HN 0.216 8.607 8.370 0.082 0.028 0.513 181 I N 2.287 122.890 120.570 0.054 0.000 2.294 181 I HA -0.037 nan 4.170 nan 0.000 0.295 181 I C -1.334 174.790 176.117 0.012 0.000 1.098 181 I CA -0.117 61.199 61.300 0.026 0.000 1.277 181 I CB -0.349 37.653 38.000 0.004 0.000 1.434 181 I HN -0.846 7.359 8.210 0.085 0.055 0.498 182 V N 8.431 128.351 119.914 0.009 0.000 2.530 182 V HA 0.127 nan 4.120 nan 0.000 0.282 182 V C -0.967 175.128 176.094 0.002 0.000 1.048 182 V CA -0.359 61.945 62.300 0.007 0.000 0.997 182 V CB -0.764 31.066 31.823 0.011 0.000 0.987 182 V HN 0.270 8.466 8.190 0.011 0.000 0.477 183 K N 3.137 123.538 120.400 0.001 0.000 2.466 183 K HA 0.485 nan 4.320 nan 0.000 0.260 183 K C -1.833 174.772 176.600 0.009 0.000 1.011 183 K CA -3.126 53.162 56.287 0.003 0.000 0.871 183 K CB 3.433 35.931 32.500 -0.004 0.000 1.404 183 K HN 0.658 8.800 8.250 0.000 0.108 0.450 184 I N -0.328 120.251 120.570 0.015 0.000 2.441 184 I HA -0.065 nan 4.170 nan 0.000 0.287 184 I C -0.054 176.073 176.117 0.017 0.000 1.049 184 I CA -0.609 60.702 61.300 0.018 0.000 1.381 184 I CB 0.802 38.815 38.000 0.023 0.000 1.409 184 I HN 0.418 8.638 8.210 0.016 0.000 0.523 185 G N 6.368 115.177 108.800 0.015 0.000 2.572 185 G HA2 0.095 nan 3.960 nan 0.000 0.261 185 G HA3 0.095 nan 3.960 nan 0.000 0.261 185 G C -2.146 172.765 174.900 0.018 0.000 1.197 185 G CA -0.782 44.327 45.100 0.015 0.000 0.870 185 G HN -0.545 7.665 8.290 0.015 0.089 0.548 186 R N -0.047 120.464 120.500 0.018 0.000 2.514 186 R HA 0.513 nan 4.340 nan 0.000 0.296 186 R C -1.166 175.142 176.300 0.014 0.000 1.012 186 R CA -0.906 55.203 56.100 0.015 0.000 0.897 186 R CB 3.481 33.782 30.300 0.002 0.000 1.184 186 R HN 0.252 8.532 8.270 0.016 0.000 0.440 187 T N 0.720 115.301 114.554 0.044 0.000 2.861 187 T HA 0.527 nan 4.350 nan 0.000 0.287 187 T C 0.017 174.810 174.700 0.155 0.000 1.003 187 T CA -1.338 60.794 62.100 0.053 0.000 0.977 187 T CB 2.506 71.447 68.868 0.123 0.000 0.996 187 T HN 0.383 8.660 8.240 0.061 0.000 0.448 188 H N 2.557 121.604 119.070 -0.037 0.000 3.047 188 H HA -0.237 nan 4.556 nan 0.000 0.263 188 H C -0.477 174.812 175.328 -0.065 0.000 1.168 188 H CA 1.098 57.119 56.048 -0.045 0.000 1.152 188 H CB -1.334 28.408 29.762 -0.034 0.000 1.278 188 H HN 0.742 8.904 8.280 -0.197 0.000 0.339 189 L N -8.867 112.363 121.223 0.012 0.000 4.892 189 L HA -0.366 nan 4.340 nan 0.000 0.403 189 L C -0.887 175.970 176.870 -0.022 0.000 0.913 189 L CA 1.416 56.223 54.840 -0.055 0.000 1.653 189 L CB -1.024 40.974 42.059 -0.103 0.000 1.780 189 L HN -0.074 8.096 8.230 -0.004 0.058 0.597 190 Q N -1.433 118.380 119.800 0.022 0.000 2.214 190 Q HA 0.183 nan 4.340 nan 0.000 0.251 190 Q C -0.531 175.478 176.000 0.015 0.000 0.936 190 Q CA -1.768 54.042 55.803 0.012 0.000 0.894 190 Q CB 1.548 30.288 28.738 0.004 0.000 1.252 190 Q HN -0.299 7.827 8.270 0.066 0.184 0.448 191 D N 0.736 121.141 120.400 0.008 0.000 2.458 191 D HA -0.028 nan 4.640 nan 0.000 0.243 191 D C -1.133 175.175 176.300 0.014 0.000 1.146 191 D CA 1.217 55.225 54.000 0.012 0.000 0.877 191 D CB 0.127 40.935 40.800 0.013 0.000 1.176 191 D HN 0.090 8.462 8.370 0.002 0.000 0.461 192 A N 3.475 126.307 122.820 0.019 0.000 2.504 192 A HA 0.304 nan 4.320 nan 0.000 0.285 192 A C -1.560 176.035 177.584 0.018 0.000 1.261 192 A CA -1.916 50.134 52.037 0.022 0.000 0.741 192 A CB 3.059 22.078 19.000 0.033 0.000 1.327 192 A HN 0.416 8.507 8.150 0.019 0.071 0.441 193 T N 0.240 114.805 114.554 0.018 0.000 2.937 193 T HA 0.064 nan 4.350 nan 0.000 0.316 193 T C -0.964 173.744 174.700 0.013 0.000 1.079 193 T CA -1.708 60.401 62.100 0.015 0.000 1.131 193 T CB -0.253 68.623 68.868 0.014 0.000 1.000 193 T HN 0.251 8.503 8.240 0.020 0.000 0.549 194 P HA 0.358 nan 4.420 nan 0.000 0.272 194 P C -1.844 175.458 177.300 0.004 0.000 1.240 194 P CA -0.228 62.878 63.100 0.010 0.000 0.791 194 P CB 0.518 32.225 31.700 0.012 0.000 0.978 195 L N -4.773 116.451 121.223 0.001 0.000 2.653 195 L HA 0.501 nan 4.340 nan 0.000 0.257 195 L C -2.068 174.796 176.870 -0.009 0.000 0.969 195 L CA -0.682 54.154 54.840 -0.007 0.000 0.869 195 L CB 3.310 45.361 42.059 -0.014 0.000 1.439 195 L HN 0.630 8.861 8.230 0.002 0.000 0.414 196 T N -2.810 111.738 114.554 -0.010 0.000 2.899 196 T HA 0.250 nan 4.350 nan 0.000 0.295 196 T C 1.021 175.710 174.700 -0.019 0.000 1.033 196 T CA -0.554 61.543 62.100 -0.004 0.000 1.084 196 T CB 1.408 70.281 68.868 0.008 0.000 0.979 196 T HN -0.086 8.148 8.240 -0.010 0.000 0.532 197 L N 3.188 124.409 121.223 -0.004 0.000 2.083 197 L HA -0.180 nan 4.340 nan 0.000 0.209 197 L C 1.280 178.135 176.870 -0.025 0.000 1.083 197 L CA 2.715 57.544 54.840 -0.018 0.000 0.752 197 L CB -0.384 41.676 42.059 0.002 0.000 0.899 197 L HN 0.873 9.108 8.230 0.009 0.000 0.433 198 G N -3.181 105.639 108.800 0.033 0.000 2.432 198 G HA2 -0.367 nan 3.960 nan 0.000 0.219 198 G HA3 -0.367 nan 3.960 nan 0.000 0.219 198 G C 1.263 176.117 174.900 -0.076 0.000 1.135 198 G CA 1.964 47.061 45.100 -0.005 0.000 0.767 198 G HN -0.173 8.143 8.290 0.064 0.013 0.550 199 Q N 0.840 120.598 119.800 -0.070 0.000 2.083 199 Q HA -0.322 nan 4.340 nan 0.000 0.198 199 Q C 2.079 177.993 176.000 -0.143 0.000 0.969 199 Q CA 3.014 58.769 55.803 -0.080 0.000 0.838 199 Q CB -0.183 28.526 28.738 -0.050 0.000 0.900 199 Q HN -0.506 7.610 8.270 -0.046 0.126 0.436 200 E N 0.665 120.752 120.200 -0.189 0.000 2.077 200 E HA -0.281 nan 4.350 nan 0.000 0.193 200 E C 2.620 178.830 176.600 -0.650 0.000 0.989 200 E CA 2.925 59.140 56.400 -0.309 0.000 0.800 200 E CB -0.030 29.513 29.700 -0.261 0.000 0.746 200 E HN -0.675 7.599 8.360 -0.144 0.000 0.452 201 I N -1.828 118.334 120.570 -0.680 0.000 2.546 201 I HA -0.365 nan 4.170 nan 0.000 0.255 201 I C 1.545 177.448 176.117 -0.356 0.000 1.163 201 I CA 3.056 63.836 61.300 -0.866 0.000 1.457 201 I CB -0.098 37.615 38.000 -0.479 0.000 1.092 201 I HN -0.033 7.912 8.210 -0.442 0.000 0.434 202 S N 0.418 115.990 115.700 -0.212 0.000 2.447 202 S HA -0.253 nan 4.470 nan 0.000 0.233 202 S C 2.401 176.984 174.600 -0.030 0.000 1.006 202 S CA 3.355 61.508 58.200 -0.078 0.000 0.957 202 S CB -0.542 62.624 63.200 -0.058 0.000 0.773 202 S HN -0.145 7.912 8.310 -0.220 0.121 0.507 203 G N 1.552 110.301 108.800 -0.086 0.000 2.402 203 G HA2 -0.194 nan 3.960 nan 0.000 0.216 203 G HA3 -0.194 nan 3.960 nan 0.000 0.216 203 G C 1.020 176.027 174.900 0.178 0.000 1.162 203 G CA 1.668 46.782 45.100 0.024 0.000 0.777 203 G HN -0.624 7.417 8.290 -0.198 0.130 0.539 204 W N 0.866 122.200 121.300 0.056 0.000 2.358 204 W HA -0.142 nan 4.660 nan 0.000 0.303 204 W C 2.407 178.959 176.519 0.055 0.000 1.208 204 W CA 1.092 58.472 57.345 0.057 0.000 1.274 204 W CB -1.065 28.438 29.460 0.071 0.000 1.138 204 W HN -0.671 7.351 8.180 -0.119 0.086 0.515 205 V N -0.046 120.022 119.914 0.257 0.000 2.261 205 V HA -0.522 nan 4.120 nan 0.000 0.246 205 V C 1.985 178.153 176.094 0.124 0.000 1.047 205 V CA 4.568 66.960 62.300 0.154 0.000 1.015 205 V CB -1.228 30.646 31.823 0.085 0.000 0.642 205 V HN -0.047 8.184 8.190 0.212 0.087 0.446 206 A N -1.730 121.165 122.820 0.126 0.000 1.978 206 A HA -0.370 nan 4.320 nan 0.000 0.220 206 A C 2.324 180.072 177.584 0.274 0.000 1.170 206 A CA 3.178 55.308 52.037 0.155 0.000 0.636 206 A CB -0.714 18.393 19.000 0.177 0.000 0.810 206 A HN -0.085 8.135 8.150 0.116 0.000 0.448 207 M N -1.103 118.637 119.600 0.233 0.000 2.117 207 M HA -0.432 nan 4.480 nan 0.000 0.262 207 M C 2.174 178.579 176.300 0.174 0.000 1.065 207 M CA 4.116 59.541 55.300 0.207 0.000 1.114 207 M CB -0.048 32.650 32.600 0.162 0.000 1.361 207 M HN -0.377 7.956 8.290 0.214 0.086 0.408 208 L N -2.110 119.193 121.223 0.133 0.000 2.093 208 L HA -0.394 nan 4.340 nan 0.000 0.208 208 L C 2.270 179.174 176.870 0.057 0.000 1.085 208 L CA 2.824 57.713 54.840 0.082 0.000 0.755 208 L CB -0.778 41.324 42.059 0.071 0.000 0.904 208 L HN -0.327 7.917 8.230 0.151 0.077 0.435 209 E N -0.711 119.512 120.200 0.038 0.000 2.072 209 E HA -0.373 nan 4.350 nan 0.000 0.191 209 E C 2.985 179.542 176.600 -0.071 0.000 0.985 209 E CA 3.330 59.701 56.400 -0.049 0.000 0.801 209 E CB -0.267 29.367 29.700 -0.109 0.000 0.750 209 E HN 0.018 8.340 8.360 0.065 0.076 0.452 210 H N 0.138 119.228 119.070 0.033 0.000 2.389 210 H HA -0.227 nan 4.556 nan 0.000 0.299 210 H C 2.418 177.832 175.328 0.143 0.000 1.081 210 H CA 4.121 60.208 56.048 0.066 0.000 1.345 210 H CB -0.081 29.760 29.762 0.131 0.000 1.393 210 H HN -0.242 8.126 8.280 0.147 0.000 0.520 211 N N -0.313 118.532 118.700 0.241 0.000 2.188 211 N HA -0.281 nan 4.740 nan 0.000 0.184 211 N C 2.013 177.569 175.510 0.077 0.000 1.018 211 N CA 3.206 56.362 53.050 0.177 0.000 0.858 211 N CB 0.088 38.622 38.487 0.078 0.000 0.989 211 N HN -0.386 8.119 8.380 0.209 0.000 0.426 212 L N 0.654 121.879 121.223 0.005 0.000 2.017 212 L HA -0.325 nan 4.340 nan 0.000 0.208 212 L C 1.264 178.045 176.870 -0.148 0.000 1.073 212 L CA 3.490 58.292 54.840 -0.063 0.000 0.745 212 L CB -0.199 41.815 42.059 -0.074 0.000 0.894 212 L HN -0.179 7.967 8.230 0.018 0.094 0.432 213 K N -1.930 118.334 120.400 -0.227 0.000 2.057 213 K HA -0.388 nan 4.320 nan 0.000 0.207 213 K C 2.545 178.714 176.600 -0.719 0.000 1.049 213 K CA 3.787 59.760 56.287 -0.523 0.000 0.931 213 K CB -0.464 31.726 32.500 -0.516 0.000 0.714 213 K HN -0.575 7.580 8.250 -0.159 0.000 0.440 214 H N -0.521 118.417 119.070 -0.221 0.000 2.353 214 H HA -0.229 nan 4.556 nan 0.000 0.300 214 H C 2.637 177.948 175.328 -0.027 0.000 1.090 214 H CA 3.727 59.768 56.048 -0.012 0.000 1.327 214 H CB 0.180 29.988 29.762 0.075 0.000 1.383 214 H HN -0.680 7.531 8.280 -0.115 0.000 0.508 215 I N -0.482 120.114 120.570 0.044 0.000 2.286 215 I HA -0.539 nan 4.170 nan 0.000 0.248 215 I C 1.703 177.806 176.117 -0.024 0.000 1.115 215 I CA 3.803 65.113 61.300 0.016 0.000 1.392 215 I CB -0.216 37.775 38.000 -0.016 0.000 1.065 215 I HN -0.151 8.081 8.210 0.036 0.000 0.418 216 E N -0.484 119.637 120.200 -0.131 0.000 2.110 216 E HA -0.336 nan 4.350 nan 0.000 0.193 216 E C 3.194 179.767 176.600 -0.044 0.000 0.988 216 E CA 3.085 59.400 56.400 -0.143 0.000 0.804 216 E CB -0.209 29.340 29.700 -0.251 0.000 0.745 216 E HN -0.337 7.817 8.360 -0.196 0.088 0.458 217 Y N -3.147 117.160 120.300 0.010 0.000 2.421 217 Y HA -0.211 nan 4.550 nan 0.000 0.292 217 Y C 1.059 176.984 175.900 0.042 0.000 1.136 217 Y CA 1.188 59.300 58.100 0.019 0.000 1.255 217 Y CB -0.792 37.682 38.460 0.024 0.000 0.991 217 Y HN -0.196 7.831 8.280 -0.278 0.086 0.552 218 S N -1.847 113.968 115.700 0.190 0.000 2.496 218 S HA -0.095 nan 4.470 nan 0.000 0.224 218 S C 1.499 176.152 174.600 0.089 0.000 0.996 218 S CA 1.340 59.625 58.200 0.143 0.000 0.927 218 S CB 0.584 63.861 63.200 0.128 0.000 0.774 218 S HN -0.599 7.664 8.310 0.152 0.138 0.524 219 L N 2.018 123.275 121.223 0.057 0.000 2.017 219 L HA -0.152 nan 4.340 nan 0.000 0.208 219 L C -0.594 176.281 176.870 0.009 0.000 1.073 219 L CA 4.396 59.240 54.840 0.006 0.000 0.745 219 L CB -2.594 39.449 42.059 -0.026 0.000 0.894 219 L HN -0.565 7.546 8.230 0.061 0.156 0.432 220 P HA -0.269 nan 4.420 nan 0.000 0.217 220 P C 0.799 178.161 177.300 0.103 0.000 1.148 220 P CA 2.823 65.951 63.100 0.047 0.000 0.828 220 P CB -0.690 31.038 31.700 0.047 0.000 0.783 221 H N -2.941 116.129 119.070 -0.000 0.000 2.395 221 H HA -0.054 nan 4.556 nan 0.000 0.299 221 H C 2.646 177.953 175.328 -0.034 0.000 1.070 221 H CA 2.306 58.357 56.048 0.005 0.000 1.356 221 H CB 0.181 29.949 29.762 0.010 0.000 1.401 221 H HN -0.437 7.934 8.280 0.183 0.018 0.524 222 V N -0.748 119.138 119.914 -0.046 0.000 2.667 222 V HA -0.221 nan 4.120 nan 0.000 0.252 222 V C 0.945 177.008 176.094 -0.052 0.000 1.065 222 V CA 2.382 64.485 62.300 -0.328 0.000 1.083 222 V CB -0.876 30.749 31.823 -0.330 0.000 0.692 222 V HN -0.683 7.416 8.190 -0.009 0.085 0.468 223 A N -3.029 119.816 122.820 0.041 0.000 2.172 223 A HA -0.124 nan 4.320 nan 0.000 0.216 223 A C -0.652 177.103 177.584 0.285 0.000 1.154 223 A CA 1.132 53.228 52.037 0.099 0.000 0.701 223 A CB 0.322 19.292 19.000 -0.050 0.000 0.789 223 A HN -0.375 7.665 8.150 0.015 0.119 0.465 224 E N -1.677 118.693 120.200 0.283 0.000 2.257 224 E HA 0.136 nan 4.350 nan 0.000 0.278 224 E C -0.853 175.904 176.600 0.261 0.000 1.049 224 E CA -0.097 56.457 56.400 0.256 0.000 0.876 224 E CB 0.180 30.033 29.700 0.255 0.000 1.035 224 E HN -0.797 7.560 8.360 0.270 0.164 0.419 225 L N 3.317 124.617 121.223 0.129 0.000 2.309 225 L HA 0.324 nan 4.340 nan 0.000 0.282 225 L C 0.355 177.187 176.870 -0.064 0.000 1.036 225 L CA -1.494 53.344 54.840 -0.004 0.000 0.806 225 L CB 1.352 43.375 42.059 -0.061 0.000 1.220 225 L HN 0.780 8.978 8.230 0.118 0.103 0.429 226 A N 4.687 127.428 122.820 -0.131 0.000 2.169 226 A HA 0.019 nan 4.320 nan 0.000 0.212 226 A C -0.191 177.340 177.584 -0.087 0.000 1.153 226 A CA 1.433 53.402 52.037 -0.114 0.000 0.756 226 A CB -0.078 18.838 19.000 -0.140 0.000 0.813 226 A HN 0.530 8.562 8.150 -0.197 0.000 0.471 227 L N -1.028 120.138 121.223 -0.094 0.000 2.700 227 L HA -0.443 nan 4.340 nan 0.000 0.272 227 L C -0.132 176.716 176.870 -0.036 0.000 1.176 227 L CA 1.455 56.256 54.840 -0.064 0.000 0.961 227 L CB -0.740 41.242 42.059 -0.128 0.000 1.249 227 L HN -0.647 7.455 8.230 -0.121 0.056 0.487 228 G N 5.049 113.904 108.800 0.090 0.000 2.421 228 G HA2 -0.208 nan 3.960 nan 0.000 0.188 228 G HA3 -0.208 nan 3.960 nan 0.000 0.188 228 G C -0.020 174.926 174.900 0.076 0.000 1.001 228 G CA 0.106 45.313 45.100 0.178 0.000 0.693 228 G HN 0.512 9.191 8.290 0.102 -0.328 0.479 229 G N 0.277 109.071 108.800 -0.010 0.000 2.572 229 G HA2 -0.061 nan 3.960 nan 0.000 0.216 229 G HA3 -0.061 nan 3.960 nan 0.000 0.216 229 G C -0.732 174.141 174.900 -0.045 0.000 1.133 229 G CA 0.420 45.470 45.100 -0.084 0.000 0.791 229 G HN -0.224 8.054 8.290 -0.021 0.000 0.538 230 T N -2.604 111.950 114.554 -0.000 0.000 14.123 230 T HA -0.514 nan 4.350 nan 0.000 0.422 230 T C 0.273 174.975 174.700 0.004 0.000 1.439 230 T CA 1.465 63.569 62.100 0.007 0.000 2.346 230 T CB -2.000 66.870 68.868 0.003 0.000 2.754 230 T HN -0.674 7.738 8.240 0.022 -0.158 0.247 231 A N 3.347 126.174 122.820 0.012 0.000 1.851 231 A HA -0.171 nan 4.320 nan 0.000 0.216 231 A C 0.985 178.592 177.584 0.038 0.000 1.195 231 A CA 2.875 54.926 52.037 0.022 0.000 0.622 231 A CB 0.105 19.119 19.000 0.023 0.000 0.831 231 A HN 0.666 8.822 8.150 0.010 0.000 0.444 232 V N -8.755 111.193 119.914 0.055 0.000 3.276 232 V HA 0.429 nan 4.120 nan 0.000 0.319 232 V C 0.352 176.510 176.094 0.107 0.000 1.427 232 V CA -1.128 61.237 62.300 0.107 0.000 1.102 232 V CB -0.341 31.569 31.823 0.144 0.000 1.020 232 V HN -0.229 7.993 8.190 0.053 0.000 0.456 233 G N 0.869 109.634 108.800 -0.058 0.000 2.213 233 G HA2 -0.347 nan 3.960 nan 0.000 0.236 233 G HA3 -0.347 nan 3.960 nan 0.000 0.236 233 G C -0.342 174.299 174.900 -0.431 0.000 0.991 233 G CA 1.127 45.989 45.100 -0.397 0.000 0.629 233 G HN -0.125 8.144 8.290 -0.036 0.000 0.517 234 T N -4.252 110.307 114.554 0.007 0.000 2.995 234 T HA -0.114 nan 4.350 nan 0.000 0.269 234 T C 1.396 176.120 174.700 0.041 0.000 1.091 234 T CA 0.042 62.226 62.100 0.139 0.000 1.128 234 T CB -0.491 68.493 68.868 0.192 0.000 0.891 234 T HN -0.073 8.166 8.240 0.105 0.063 0.492 235 G N 2.321 111.120 108.800 -0.001 0.000 2.137 235 G HA2 -0.432 nan 3.960 nan 0.000 0.237 235 G HA3 -0.432 nan 3.960 nan 0.000 0.237 235 G C -1.275 173.635 174.900 0.017 0.000 1.002 235 G CA -0.072 45.035 45.100 0.011 0.000 0.702 235 G HN -0.340 7.906 8.290 -0.015 0.035 0.515 236 L N -0.732 120.502 121.223 0.020 0.000 2.490 236 L HA -0.267 nan 4.340 nan 0.000 0.274 236 L C -0.201 176.664 176.870 -0.007 0.000 1.201 236 L CA 0.957 55.805 54.840 0.012 0.000 0.869 236 L CB 0.457 42.528 42.059 0.020 0.000 1.123 236 L HN -0.874 7.338 8.230 0.028 0.034 0.484 237 N N 0.337 119.027 118.700 -0.016 0.000 2.815 237 N HA -0.285 nan 4.740 nan 0.000 0.249 237 N C -1.294 174.175 175.510 -0.068 0.000 1.114 237 N CA 0.724 53.753 53.050 -0.035 0.000 0.717 237 N CB -0.679 37.787 38.487 -0.035 0.000 1.074 237 N HN 0.510 8.884 8.380 -0.010 0.000 0.555 238 T N -6.438 108.083 114.554 -0.055 0.000 2.883 238 T HA 0.265 nan 4.350 nan 0.000 0.296 238 T C -1.989 172.713 174.700 0.003 0.000 1.117 238 T CA -1.129 60.919 62.100 -0.086 0.000 1.006 238 T CB 2.973 71.796 68.868 -0.075 0.000 1.191 238 T HN -0.353 7.870 8.240 -0.029 0.000 0.508 239 H N 2.288 121.325 119.070 -0.054 0.000 2.646 239 H HA 0.263 nan 4.556 nan 0.000 0.325 239 H C 0.109 175.485 175.328 0.080 0.000 1.075 239 H CA -1.623 54.437 56.048 0.020 0.000 1.421 239 H CB 1.140 30.924 29.762 0.038 0.000 1.461 239 H HN 0.237 8.534 8.280 0.028 0.000 0.525 240 P HA -0.263 nan 4.420 nan 0.000 0.219 240 P C 0.094 177.462 177.300 0.114 0.000 1.144 240 P CA 2.121 65.207 63.100 -0.024 0.000 0.806 240 P CB 0.244 31.871 31.700 -0.122 0.000 0.771 241 E N -3.719 116.667 120.200 0.310 0.000 2.452 241 E HA 0.038 nan 4.350 nan 0.000 0.197 241 E C 1.344 178.082 176.600 0.230 0.000 1.022 241 E CA 0.220 56.782 56.400 0.270 0.000 0.890 241 E CB 0.503 30.385 29.700 0.304 0.000 0.918 241 E HN -0.146 8.475 8.360 0.532 0.058 0.496 242 Y N 2.259 122.654 120.300 0.160 0.000 2.014 242 Y HA -0.615 nan 4.550 nan 0.000 0.272 242 Y C 0.667 176.585 175.900 0.029 0.000 1.164 242 Y CA 4.064 62.206 58.100 0.068 0.000 1.114 242 Y CB -0.211 38.294 38.460 0.076 0.000 0.961 242 Y HN 0.143 8.534 8.280 0.484 0.180 0.489 243 A N -2.691 120.106 122.820 -0.038 0.000 1.903 243 A HA -0.514 nan 4.320 nan 0.000 0.219 243 A C 2.193 179.684 177.584 -0.154 0.000 1.191 243 A CA 3.637 55.583 52.037 -0.152 0.000 0.638 243 A CB -1.283 17.709 19.000 -0.013 0.000 0.823 243 A HN 0.465 8.736 8.150 0.202 0.000 0.451 244 R N -1.919 118.542 120.500 -0.065 0.000 2.075 244 R HA -0.277 nan 4.340 nan 0.000 0.232 244 R C 2.426 178.685 176.300 -0.068 0.000 1.126 244 R CA 2.876 58.950 56.100 -0.044 0.000 0.963 244 R CB -0.297 30.003 30.300 -0.001 0.000 0.858 244 R HN -0.301 7.960 8.270 -0.015 0.000 0.435 245 R N -1.354 119.098 120.500 -0.080 0.000 2.092 245 R HA -0.261 nan 4.340 nan 0.000 0.231 245 R C 2.476 178.693 176.300 -0.138 0.000 1.119 245 R CA 3.248 59.300 56.100 -0.081 0.000 0.970 245 R CB -0.167 30.104 30.300 -0.050 0.000 0.864 245 R HN -0.206 8.027 8.270 -0.061 0.000 0.440 246 V N -0.768 118.985 119.914 -0.269 0.000 2.548 246 V HA -0.251 nan 4.120 nan 0.000 0.249 246 V C 1.062 177.033 176.094 -0.205 0.000 1.055 246 V CA 3.198 65.315 62.300 -0.305 0.000 1.065 246 V CB -0.531 30.933 31.823 -0.599 0.000 0.681 246 V HN 0.304 8.283 8.190 -0.351 0.000 0.462 247 A N -0.940 121.779 122.820 -0.167 0.000 1.929 247 A HA -0.290 nan 4.320 nan 0.000 0.216 247 A C 1.752 179.320 177.584 -0.026 0.000 1.176 247 A CA 3.445 55.428 52.037 -0.090 0.000 0.628 247 A CB -0.748 18.226 19.000 -0.044 0.000 0.816 247 A HN -0.374 7.653 8.150 -0.186 0.011 0.444 248 D N -1.240 119.142 120.400 -0.031 0.000 2.117 248 D HA -0.262 nan 4.640 nan 0.000 0.198 248 D C 2.446 178.744 176.300 -0.003 0.000 0.982 248 D CA 3.586 57.585 54.000 -0.002 0.000 0.828 248 D CB -0.183 40.611 40.800 -0.009 0.000 0.967 248 D HN -0.406 7.851 8.370 -0.056 0.079 0.464 249 E N 1.040 121.220 120.200 -0.034 0.000 2.051 249 E HA -0.236 nan 4.350 nan 0.000 0.192 249 E C 2.181 178.766 176.600 -0.024 0.000 0.991 249 E CA 2.501 58.883 56.400 -0.031 0.000 0.799 249 E CB -0.360 29.308 29.700 -0.052 0.000 0.748 249 E HN -0.357 7.968 8.360 -0.059 0.000 0.449 250 L N -1.287 119.902 121.223 -0.057 0.000 2.012 250 L HA -0.409 nan 4.340 nan 0.000 0.210 250 L C 2.013 178.930 176.870 0.078 0.000 1.073 250 L CA 3.101 57.895 54.840 -0.077 0.000 0.748 250 L CB -0.363 41.534 42.059 -0.271 0.000 0.891 250 L HN -0.287 7.892 8.230 -0.086 0.000 0.431 251 A N -1.200 121.718 122.820 0.163 0.000 1.908 251 A HA -0.351 nan 4.320 nan 0.000 0.218 251 A C 2.375 180.035 177.584 0.127 0.000 1.181 251 A CA 3.352 55.535 52.037 0.244 0.000 0.627 251 A CB -0.811 18.293 19.000 0.173 0.000 0.818 251 A HN -0.253 7.961 8.150 0.106 0.000 0.445 252 V N -0.519 119.437 119.914 0.070 0.000 2.307 252 V HA -0.381 nan 4.120 nan 0.000 0.245 252 V C 1.975 178.093 176.094 0.040 0.000 1.045 252 V CA 3.757 66.082 62.300 0.042 0.000 1.024 252 V CB -0.400 31.436 31.823 0.022 0.000 0.651 252 V HN -0.320 7.824 8.190 0.058 0.081 0.449 253 I N -4.101 116.491 120.570 0.037 0.000 2.676 253 I HA -0.165 nan 4.170 nan 0.000 0.259 253 I C 1.580 177.727 176.117 0.049 0.000 1.194 253 I CA 2.439 63.757 61.300 0.029 0.000 1.473 253 I CB 0.087 38.093 38.000 0.010 0.000 1.096 253 I HN 0.034 8.264 8.210 0.032 0.000 0.443 254 T N -5.314 109.295 114.554 0.091 0.000 3.014 254 T HA 0.088 nan 4.350 nan 0.000 0.250 254 T C 0.517 175.273 174.700 0.094 0.000 1.060 254 T CA 0.188 62.362 62.100 0.124 0.000 1.040 254 T CB 0.852 69.875 68.868 0.258 0.000 0.971 254 T HN -0.177 8.110 8.240 0.113 0.021 0.497 255 C N 0.806 120.152 119.300 0.076 0.000 4.397 255 C HA -0.421 nan 4.460 nan 0.000 0.291 255 C C -1.200 173.788 174.990 -0.003 0.000 1.408 255 C CA 0.063 59.100 59.018 0.033 0.000 1.971 255 C CB -2.855 24.895 27.740 0.017 0.000 1.258 255 C HN 0.074 8.357 8.230 0.088 0.000 0.795 256 A N -1.226 121.589 122.820 -0.009 0.000 2.350 256 A HA 0.540 nan 4.320 nan 0.000 0.324 256 A C -2.478 174.963 177.584 -0.238 0.000 1.118 256 A CA -2.500 49.415 52.037 -0.203 0.000 0.783 256 A CB 1.422 20.169 19.000 -0.421 0.000 1.236 256 A HN -0.749 7.423 8.150 0.091 0.033 0.457 257 P HA -0.014 nan 4.420 nan 0.000 0.237 257 P C -1.689 175.520 177.300 -0.152 0.000 1.701 257 P CA 0.043 63.052 63.100 -0.152 0.000 0.955 257 P CB -1.688 29.939 31.700 -0.121 0.000 1.937 258 F N 1.748 121.697 119.950 -0.000 0.000 2.471 258 F HA -0.069 nan 4.527 nan 0.000 0.353 258 F C 0.086 175.885 175.800 -0.002 0.000 1.113 258 F CA 1.088 59.089 58.000 0.002 0.000 1.262 258 F CB 1.024 40.020 39.000 -0.007 0.000 1.146 258 F HN -0.294 7.988 8.300 0.074 0.063 0.578 259 V N -1.117 118.929 119.914 0.220 0.000 3.078 259 V HA 0.437 nan 4.120 nan 0.000 0.311 259 V C -1.407 174.743 176.094 0.093 0.000 1.138 259 V CA -2.656 59.712 62.300 0.113 0.000 1.007 259 V CB 3.694 35.562 31.823 0.074 0.000 1.045 259 V HN 0.567 8.924 8.190 0.277 0.000 0.432 260 T N 2.820 117.398 114.554 0.040 0.000 2.884 260 T HA 0.195 nan 4.350 nan 0.000 0.298 260 T C -0.364 174.352 174.700 0.027 0.000 0.998 260 T CA -0.937 61.169 62.100 0.011 0.000 1.124 260 T CB 0.048 68.903 68.868 -0.022 0.000 0.931 260 T HN 0.065 8.324 8.240 0.031 0.000 0.531 261 A N 9.008 131.842 122.820 0.024 0.000 2.524 261 A HA 0.176 nan 4.320 nan 0.000 0.250 261 A C -0.608 176.985 177.584 0.016 0.000 1.078 261 A CA -2.152 49.907 52.037 0.037 0.000 0.761 261 A CB -0.627 18.395 19.000 0.035 0.000 1.012 261 A HN 0.509 8.561 8.150 0.006 0.101 0.500 262 P HA -0.208 nan 4.420 nan 0.000 0.218 262 P C -0.464 176.855 177.300 0.032 0.000 1.148 262 P CA 1.713 64.827 63.100 0.024 0.000 0.822 262 P CB 0.230 31.942 31.700 0.020 0.000 0.784 263 N N -1.276 117.446 118.700 0.037 0.000 2.483 263 N HA 0.110 nan 4.740 nan 0.000 0.267 263 N C -0.130 175.371 175.510 -0.016 0.000 0.998 263 N CA -1.081 52.007 53.050 0.063 0.000 0.918 263 N CB 1.252 39.815 38.487 0.126 0.000 1.215 263 N HN -0.123 8.247 8.380 0.035 0.031 0.500 264 K N 4.976 125.260 120.400 -0.193 0.000 2.288 264 K HA -0.152 nan 4.320 nan 0.000 0.201 264 K C 1.326 177.698 176.600 -0.380 0.000 1.048 264 K CA 1.890 57.978 56.287 -0.330 0.000 0.956 264 K CB -0.140 32.087 32.500 -0.456 0.000 0.746 264 K HN 0.541 8.673 8.250 -0.197 0.000 0.461 265 F N -1.802 118.174 119.950 0.044 0.000 2.206 265 F HA -0.221 nan 4.527 nan 0.000 0.298 265 F C 2.020 177.852 175.800 0.054 0.000 1.090 265 F CA 3.590 61.619 58.000 0.049 0.000 1.323 265 F CB -0.779 38.249 39.000 0.047 0.000 1.028 265 F HN -0.227 7.832 8.300 -0.347 0.033 0.492 266 E N 0.257 120.570 120.200 0.189 0.000 2.072 266 E HA -0.324 nan 4.350 nan 0.000 0.190 266 E C 1.683 178.346 176.600 0.106 0.000 0.982 266 E CA 2.885 59.373 56.400 0.147 0.000 0.803 266 E CB -0.372 29.413 29.700 0.141 0.000 0.755 266 E HN -0.340 8.132 8.360 0.186 0.000 0.453 267 A N -0.646 122.211 122.820 0.061 0.000 1.933 267 A HA -0.219 nan 4.320 nan 0.000 0.218 267 A C 2.366 179.945 177.584 -0.009 0.000 1.175 267 A CA 2.998 55.046 52.037 0.017 0.000 0.628 267 A CB -0.542 18.439 19.000 -0.031 0.000 0.814 267 A HN -0.472 7.642 8.150 0.044 0.062 0.444 268 L N -4.107 117.116 121.223 -0.000 0.000 2.249 268 L HA -0.114 nan 4.340 nan 0.000 0.207 268 L C 2.541 179.450 176.870 0.065 0.000 1.090 268 L CA 2.239 57.090 54.840 0.018 0.000 0.802 268 L CB -0.135 41.930 42.059 0.011 0.000 0.947 268 L HN -0.158 8.067 8.230 -0.007 0.000 0.453 269 A N -3.302 119.574 122.820 0.093 0.000 2.169 269 A HA 0.009 nan 4.320 nan 0.000 0.212 269 A C -0.237 177.399 177.584 0.087 0.000 1.153 269 A CA 1.483 53.584 52.037 0.107 0.000 0.756 269 A CB 0.311 19.391 19.000 0.133 0.000 0.813 269 A HN -0.223 7.987 8.150 0.100 0.000 0.471 270 T N -6.972 107.628 114.554 0.078 0.000 2.812 270 T HA 0.244 nan 4.350 nan 0.000 0.294 270 T C -1.269 173.466 174.700 0.058 0.000 1.159 270 T CA -1.384 60.757 62.100 0.067 0.000 1.008 270 T CB 2.347 71.257 68.868 0.070 0.000 1.289 270 T HN -0.753 7.495 8.240 0.074 0.037 0.514 271 C N 0.715 120.043 119.300 0.046 0.000 2.863 271 C HA 0.533 nan 4.460 nan 0.000 0.284 271 C C 0.870 175.857 174.990 -0.005 0.000 1.426 271 C CA -1.224 57.815 59.018 0.034 0.000 1.782 271 C CB -1.221 26.543 27.740 0.040 0.000 2.554 271 C HN 0.786 9.040 8.230 0.040 0.000 0.566 272 D N 3.401 123.805 120.400 0.007 0.000 2.170 272 D HA -0.351 nan 4.640 nan 0.000 0.193 272 D C 1.228 177.445 176.300 -0.139 0.000 1.004 272 D CA 4.070 58.069 54.000 -0.002 0.000 0.860 272 D CB -0.517 40.347 40.800 0.106 0.000 0.931 272 D HN -0.266 8.042 8.370 0.040 0.086 0.448 273 A N -1.590 120.976 122.820 -0.423 0.000 1.933 273 A HA -0.175 nan 4.320 nan 0.000 0.218 273 A C 2.207 179.566 177.584 -0.374 0.000 1.175 273 A CA 2.735 54.308 52.037 -0.773 0.000 0.628 273 A CB -0.549 17.845 19.000 -1.009 0.000 0.814 273 A HN 0.258 8.207 8.150 -0.309 0.016 0.444 274 L N -2.804 118.250 121.223 -0.282 0.000 2.209 274 L HA -0.225 nan 4.340 nan 0.000 0.207 274 L C 2.176 179.057 176.870 0.018 0.000 1.094 274 L CA 2.410 57.088 54.840 -0.270 0.000 0.790 274 L CB -0.109 41.731 42.059 -0.365 0.000 0.932 274 L HN -0.304 7.677 8.230 -0.212 0.122 0.447 275 V N 0.681 120.602 119.914 0.013 0.000 2.343 275 V HA -0.502 nan 4.120 nan 0.000 0.247 275 V C 2.530 178.689 176.094 0.109 0.000 1.051 275 V CA 4.405 66.746 62.300 0.068 0.000 1.036 275 V CB -0.944 30.897 31.823 0.030 0.000 0.654 275 V HN -0.120 7.962 8.190 -0.038 0.086 0.451 276 Q N -2.136 117.707 119.800 0.072 0.000 2.083 276 Q HA -0.283 nan 4.340 nan 0.000 0.198 276 Q C 2.349 178.427 176.000 0.130 0.000 0.969 276 Q CA 2.767 58.627 55.803 0.096 0.000 0.838 276 Q CB -0.303 28.493 28.738 0.097 0.000 0.900 276 Q HN -0.084 8.198 8.270 0.020 0.000 0.436 277 A N -0.857 122.045 122.820 0.136 0.000 1.933 277 A HA -0.259 nan 4.320 nan 0.000 0.218 277 A C 1.945 179.696 177.584 0.278 0.000 1.175 277 A CA 2.781 54.942 52.037 0.205 0.000 0.628 277 A CB -0.624 18.504 19.000 0.214 0.000 0.814 277 A HN -0.179 8.010 8.150 0.065 0.000 0.444 278 H N -1.844 117.402 119.070 0.293 0.000 2.524 278 H HA -0.179 nan 4.556 nan 0.000 0.282 278 H C 1.917 177.275 175.328 0.049 0.000 1.016 278 H CA 2.314 58.452 56.048 0.151 0.000 1.270 278 H CB 0.203 30.080 29.762 0.191 0.000 1.394 278 H HN 0.093 8.645 8.280 0.468 0.009 0.568 279 G N -1.957 106.945 108.800 0.171 0.000 2.408 279 G HA2 -0.331 nan 3.960 nan 0.000 0.217 279 G HA3 -0.331 nan 3.960 nan 0.000 0.217 279 G C 0.381 175.290 174.900 0.014 0.000 1.150 279 G CA 1.853 47.007 45.100 0.091 0.000 0.776 279 G HN -0.187 8.053 8.290 0.193 0.165 0.542 280 A N 1.725 124.556 122.820 0.017 0.000 1.969 280 A HA -0.136 nan 4.320 nan 0.000 0.218 280 A C 2.031 179.562 177.584 -0.089 0.000 1.169 280 A CA 2.463 54.491 52.037 -0.015 0.000 0.635 280 A CB -0.838 18.192 19.000 0.051 0.000 0.810 280 A HN -0.734 7.454 8.150 0.063 0.000 0.445 281 L N -2.596 118.522 121.223 -0.175 0.000 2.056 281 L HA -0.428 nan 4.340 nan 0.000 0.207 281 L C 2.103 178.818 176.870 -0.258 0.000 1.078 281 L CA 2.710 57.367 54.840 -0.304 0.000 0.749 281 L CB -0.268 41.425 42.059 -0.610 0.000 0.901 281 L HN -0.580 7.434 8.230 -0.155 0.123 0.433 282 K N -1.088 119.191 120.400 -0.202 0.000 2.209 282 K HA -0.231 nan 4.320 nan 0.000 0.204 282 K C 2.576 179.127 176.600 -0.082 0.000 1.048 282 K CA 2.843 59.075 56.287 -0.093 0.000 0.940 282 K CB -1.393 31.119 32.500 0.019 0.000 0.729 282 K HN 0.154 8.292 8.250 -0.187 0.000 0.451 283 G N -0.280 108.465 108.800 -0.092 0.000 2.404 283 G HA2 -0.210 nan 3.960 nan 0.000 0.215 283 G HA3 -0.210 nan 3.960 nan 0.000 0.215 283 G C 0.727 175.572 174.900 -0.092 0.000 1.174 283 G CA 1.655 46.697 45.100 -0.098 0.000 0.780 283 G HN -0.458 7.651 8.290 -0.096 0.123 0.537 284 L N 1.823 122.988 121.223 -0.097 0.000 2.083 284 L HA -0.231 nan 4.340 nan 0.000 0.209 284 L C 1.476 178.283 176.870 -0.105 0.000 1.083 284 L CA 2.293 57.080 54.840 -0.089 0.000 0.752 284 L CB -0.509 41.493 42.059 -0.096 0.000 0.899 284 L HN -0.269 7.823 8.230 -0.109 0.073 0.433 285 A N -1.444 121.306 122.820 -0.116 0.000 1.933 285 A HA -0.373 nan 4.320 nan 0.000 0.218 285 A C 1.877 179.404 177.584 -0.095 0.000 1.175 285 A CA 3.175 55.146 52.037 -0.111 0.000 0.628 285 A CB -1.159 17.780 19.000 -0.102 0.000 0.814 285 A HN 0.434 8.421 8.150 -0.127 0.087 0.444 286 A N -2.078 120.695 122.820 -0.079 0.000 1.898 286 A HA -0.273 nan 4.320 nan 0.000 0.216 286 A C 2.225 179.767 177.584 -0.070 0.000 1.181 286 A CA 2.862 54.859 52.037 -0.065 0.000 0.620 286 A CB -0.795 18.173 19.000 -0.054 0.000 0.819 286 A HN -0.243 7.761 8.150 -0.079 0.099 0.442 287 S N 0.131 115.788 115.700 -0.071 0.000 2.356 287 S HA -0.332 nan 4.470 nan 0.000 0.223 287 S C 2.260 176.791 174.600 -0.114 0.000 1.032 287 S CA 3.909 62.070 58.200 -0.064 0.000 1.005 287 S CB -0.034 63.144 63.200 -0.037 0.000 0.867 287 S HN -0.507 7.761 8.310 -0.071 0.000 0.449 288 L N 0.566 121.702 121.223 -0.146 0.000 2.083 288 L HA -0.353 nan 4.340 nan 0.000 0.209 288 L C 1.806 178.526 176.870 -0.249 0.000 1.083 288 L CA 2.729 57.431 54.840 -0.229 0.000 0.752 288 L CB -0.250 41.670 42.059 -0.231 0.000 0.899 288 L HN 0.305 8.460 8.230 -0.126 0.000 0.433 289 M N -0.837 118.661 119.600 -0.170 0.000 2.080 289 M HA -0.445 nan 4.480 nan 0.000 0.260 289 M C 1.572 177.799 176.300 -0.122 0.000 1.068 289 M CA 3.509 58.729 55.300 -0.135 0.000 1.109 289 M CB -0.449 32.101 32.600 -0.083 0.000 1.342 289 M HN -0.245 7.949 8.290 -0.140 0.012 0.405 290 K N -0.542 119.794 120.400 -0.107 0.000 2.057 290 K HA -0.254 nan 4.320 nan 0.000 0.206 290 K C 2.583 179.088 176.600 -0.158 0.000 1.050 290 K CA 3.083 59.326 56.287 -0.074 0.000 0.935 290 K CB -0.247 32.235 32.500 -0.030 0.000 0.715 290 K HN -0.784 7.406 8.250 -0.101 0.000 0.439 291 I N -0.857 119.521 120.570 -0.320 0.000 2.226 291 I HA -0.496 nan 4.170 nan 0.000 0.245 291 I C 1.648 177.430 176.117 -0.559 0.000 1.100 291 I CA 3.697 64.591 61.300 -0.675 0.000 1.374 291 I CB -0.273 37.293 38.000 -0.724 0.000 1.057 291 I HN -0.353 7.696 8.210 -0.268 0.000 0.413 292 A N -0.697 121.866 122.820 -0.428 0.000 1.902 292 A HA -0.392 nan 4.320 nan 0.000 0.217 292 A C 1.898 179.407 177.584 -0.126 0.000 1.181 292 A CA 3.565 55.404 52.037 -0.329 0.000 0.623 292 A CB -0.908 17.875 19.000 -0.363 0.000 0.818 292 A HN 0.419 8.323 8.150 -0.409 0.000 0.443 293 N N -1.533 117.130 118.700 -0.063 0.000 2.120 293 N HA -0.309 nan 4.740 nan 0.000 0.188 293 N C 2.216 177.871 175.510 0.242 0.000 1.024 293 N CA 2.927 56.044 53.050 0.111 0.000 0.852 293 N CB -0.512 38.087 38.487 0.187 0.000 1.003 293 N HN -0.340 7.977 8.380 -0.105 0.000 0.424 294 D N 1.194 121.682 120.400 0.147 0.000 2.123 294 D HA -0.214 nan 4.640 nan 0.000 0.196 294 D C 2.507 178.962 176.300 0.258 0.000 0.992 294 D CA 3.394 57.551 54.000 0.261 0.000 0.833 294 D CB -0.101 40.902 40.800 0.340 0.000 0.954 294 D HN -0.057 8.326 8.370 0.022 0.000 0.455 295 V N -0.363 119.604 119.914 0.089 0.000 2.295 295 V HA -0.409 nan 4.120 nan 0.000 0.246 295 V C 1.999 178.167 176.094 0.123 0.000 1.049 295 V CA 4.160 66.540 62.300 0.133 0.000 1.024 295 V CB -0.560 31.329 31.823 0.110 0.000 0.648 295 V HN -0.042 8.103 8.190 -0.075 0.000 0.447 296 R N -1.659 118.871 120.500 0.051 0.000 2.115 296 R HA -0.303 nan 4.340 nan 0.000 0.230 296 R C 1.879 178.124 176.300 -0.093 0.000 1.111 296 R CA 2.705 58.771 56.100 -0.058 0.000 0.976 296 R CB -0.510 29.690 30.300 -0.168 0.000 0.870 296 R HN -0.256 8.036 8.270 0.038 0.000 0.445 297 W N -2.264 119.068 121.300 0.053 0.000 2.409 297 W HA -0.164 nan 4.660 nan 0.000 0.299 297 W C 2.364 178.922 176.519 0.065 0.000 1.203 297 W CA 2.087 59.464 57.345 0.054 0.000 1.298 297 W CB 0.439 29.931 29.460 0.054 0.000 1.127 297 W HN -0.307 7.997 8.180 0.207 0.000 0.528 298 L N -0.569 120.844 121.223 0.317 0.000 2.201 298 L HA -0.284 nan 4.340 nan 0.000 0.212 298 L C 1.374 178.334 176.870 0.150 0.000 1.105 298 L CA 2.189 57.165 54.840 0.226 0.000 0.775 298 L CB -0.671 41.534 42.059 0.244 0.000 0.913 298 L HN 0.137 8.569 8.230 0.337 0.000 0.440 299 A N -5.278 117.613 122.820 0.118 0.000 2.308 299 A HA 0.186 nan 4.320 nan 0.000 0.217 299 A C -0.600 177.004 177.584 0.034 0.000 1.216 299 A CA -0.904 51.171 52.037 0.064 0.000 0.864 299 A CB -0.423 18.606 19.000 0.049 0.000 0.902 299 A HN -0.617 7.472 8.150 0.125 0.136 0.499 300 S N 0.035 115.761 115.700 0.044 0.000 2.562 300 S HA -0.043 nan 4.470 nan 0.000 0.281 300 S C -0.388 174.232 174.600 0.034 0.000 1.333 300 S CA 0.461 58.666 58.200 0.008 0.000 1.052 300 S CB 0.848 64.055 63.200 0.012 0.000 0.884 300 S HN -0.572 7.611 8.310 0.095 0.183 0.506 301 G N 2.815 111.622 108.800 0.011 0.000 2.564 301 G HA2 -0.072 nan 3.960 nan 0.000 0.139 301 G HA3 -0.072 nan 3.960 nan 0.000 0.139 301 G C -2.400 172.503 174.900 0.006 0.000 1.147 301 G CA 0.462 45.574 45.100 0.020 0.000 1.031 301 G HN -0.072 8.210 8.290 -0.013 0.000 0.482 302 P HA 0.263 nan 4.420 nan 0.000 0.227 302 P C 0.112 177.421 177.300 0.016 0.000 1.161 302 P CA 1.057 64.163 63.100 0.010 0.000 0.788 302 P CB 0.456 32.159 31.700 0.005 0.000 0.822 303 R N -2.261 118.249 120.500 0.017 0.000 2.257 303 R HA 0.144 nan 4.340 nan 0.000 0.195 303 R C 0.015 176.331 176.300 0.027 0.000 0.921 303 R CA 0.253 56.364 56.100 0.019 0.000 1.069 303 R CB 0.508 30.817 30.300 0.014 0.000 1.115 303 R HN -0.025 8.253 8.270 0.014 0.000 0.571 304 C N -0.302 119.016 119.300 0.031 0.000 2.470 304 C HA 0.410 nan 4.460 nan 0.000 0.311 304 C C -0.122 174.905 174.990 0.062 0.000 1.387 304 C CA -1.049 57.994 59.018 0.041 0.000 1.783 304 C CB -1.629 26.133 27.740 0.036 0.000 2.416 304 C HN -0.229 8.017 8.230 0.026 0.000 0.558 305 G N 0.079 108.921 108.800 0.070 0.000 3.214 305 G HA2 0.377 nan 3.960 nan 0.000 0.188 305 G HA3 0.377 nan 3.960 nan 0.000 0.188 305 G C -1.183 173.783 174.900 0.111 0.000 1.126 305 G CA -0.491 44.675 45.100 0.110 0.000 0.796 305 G HN -0.812 7.450 8.290 0.057 0.063 0.631 306 I N 1.612 122.265 120.570 0.138 0.000 2.556 306 I HA -0.021 nan 4.170 nan 0.000 0.251 306 I C 1.031 177.198 176.117 0.084 0.000 1.105 306 I CA 1.006 62.377 61.300 0.120 0.000 1.436 306 I CB 1.023 39.122 38.000 0.164 0.000 1.139 306 I HN -0.160 8.150 8.210 0.167 0.000 0.438 307 G N -0.593 108.255 108.800 0.081 0.000 2.296 307 G HA2 -0.468 nan 3.960 nan 0.000 0.282 307 G HA3 -0.468 nan 3.960 nan 0.000 0.282 307 G C -0.205 174.717 174.900 0.038 0.000 1.014 307 G CA 1.225 46.356 45.100 0.052 0.000 0.812 307 G HN -0.033 8.315 8.290 0.098 0.000 0.508 308 E N -2.420 117.809 120.200 0.049 0.000 2.208 308 E HA -0.144 nan 4.350 nan 0.000 0.193 308 E C -0.222 176.376 176.600 -0.004 0.000 0.988 308 E CA 1.390 57.803 56.400 0.022 0.000 0.828 308 E CB 0.724 30.445 29.700 0.034 0.000 0.763 308 E HN -0.354 8.012 8.360 0.074 0.038 0.478 309 I N -8.276 112.307 120.570 0.021 0.000 3.042 309 I HA 0.663 nan 4.170 nan 0.000 0.310 309 I C -1.696 174.431 176.117 0.016 0.000 1.117 309 I CA -2.883 58.419 61.300 0.002 0.000 1.003 309 I CB 3.588 41.615 38.000 0.045 0.000 1.228 309 I HN -0.572 7.640 8.210 0.050 0.029 0.443 310 S N 0.863 116.566 115.700 0.005 0.000 2.513 310 S HA 0.540 nan 4.470 nan 0.000 0.299 310 S C -0.857 173.756 174.600 0.021 0.000 1.087 310 S CA -1.526 56.681 58.200 0.011 0.000 1.012 310 S CB 2.373 65.573 63.200 0.000 0.000 1.044 310 S HN 0.763 8.955 8.310 -0.013 0.110 0.485 311 I N -4.362 116.217 120.570 0.015 0.000 2.797 311 I HA 0.622 nan 4.170 nan 0.000 0.307 311 I C -2.411 173.704 176.117 -0.003 0.000 1.033 311 I CA -3.557 57.746 61.300 0.006 0.000 1.071 311 I CB 0.830 38.828 38.000 -0.003 0.000 1.255 311 I HN 0.277 8.494 8.210 0.011 0.000 0.445 312 P HA -0.033 nan 4.420 nan 0.000 0.263 312 P C -1.992 175.300 177.300 -0.012 0.000 1.195 312 P CA -0.112 62.984 63.100 -0.007 0.000 0.762 312 P CB 0.484 32.182 31.700 -0.004 0.000 0.799 313 E N 3.871 124.064 120.200 -0.012 0.000 2.152 313 E HA -0.051 nan 4.350 nan 0.000 0.285 313 E C -0.701 175.882 176.600 -0.027 0.000 1.043 313 E CA -0.126 56.263 56.400 -0.018 0.000 0.839 313 E CB 0.404 30.095 29.700 -0.015 0.000 1.069 313 E HN 0.253 8.608 8.360 -0.008 0.000 0.399 314 N N 5.099 123.775 118.700 -0.041 0.000 2.282 314 N HA -0.007 nan 4.740 nan 0.000 0.185 314 N C -1.357 174.112 175.510 -0.067 0.000 1.099 314 N CA 0.822 53.832 53.050 -0.068 0.000 0.878 314 N CB 0.725 39.145 38.487 -0.112 0.000 0.993 314 N HN 0.574 8.932 8.380 -0.037 0.000 0.481 315 E N -1.174 118.997 120.200 -0.048 0.000 2.416 315 E HA 0.554 nan 4.350 nan 0.000 0.273 315 E C -2.710 173.872 176.600 -0.029 0.000 0.935 315 E CA -1.759 54.617 56.400 -0.041 0.000 0.784 315 E CB 0.422 30.097 29.700 -0.041 0.000 1.301 315 E HN -0.480 7.856 8.360 -0.040 0.000 0.454 322 P HA -0.073 nan 4.420 nan 0.000 0.208 322 P C 0.257 177.554 177.300 -0.005 0.000 1.195 322 P CA 1.294 64.391 63.100 -0.005 0.000 0.927 322 P CB 0.188 31.886 31.700 -0.003 0.000 0.778 323 G N -3.627 105.171 108.800 -0.004 0.000 2.956 323 G HA2 -0.088 nan 3.960 nan 0.000 0.207 323 G HA3 -0.088 nan 3.960 nan 0.000 0.207 323 G C -1.311 173.585 174.900 -0.007 0.000 1.162 323 G CA -0.572 44.525 45.100 -0.004 0.000 0.796 323 G HN 0.081 8.369 8.290 -0.003 0.000 0.527 324 K N 2.214 122.609 120.400 -0.009 0.000 2.245 324 K HA -0.062 nan 4.320 nan 0.000 0.281 324 K C -0.878 175.712 176.600 -0.017 0.000 1.079 324 K CA 0.122 56.401 56.287 -0.014 0.000 1.000 324 K CB -0.419 32.073 32.500 -0.014 0.000 1.038 324 K HN -0.730 7.419 8.250 -0.008 0.096 0.430 325 V N 8.239 128.142 119.914 -0.018 0.000 2.257 325 V HA 0.111 nan 4.120 nan 0.000 0.269 325 V C -0.380 175.698 176.094 -0.028 0.000 1.040 325 V CA -1.365 60.923 62.300 -0.020 0.000 0.813 325 V CB 0.115 31.929 31.823 -0.015 0.000 1.065 325 V HN -0.028 8.152 8.190 -0.017 0.000 0.457 326 N N 8.609 127.290 118.700 -0.031 0.000 2.454 326 N HA 0.178 nan 4.740 nan 0.000 0.260 326 N C -1.248 174.242 175.510 -0.034 0.000 1.218 326 N CA -1.770 51.257 53.050 -0.040 0.000 0.904 326 N CB 0.344 38.809 38.487 -0.037 0.000 1.065 326 N HN 0.273 8.637 8.380 -0.027 0.000 0.462 327 P HA 0.189 nan 4.420 nan 0.000 0.225 327 P C -0.067 177.230 177.300 -0.005 0.000 1.768 327 P CA -0.435 62.652 63.100 -0.022 0.000 0.943 327 P CB -1.413 30.262 31.700 -0.042 0.000 1.936 328 T N -0.380 114.172 114.554 -0.004 0.000 2.699 328 T HA -0.451 nan 4.350 nan 0.000 0.268 328 T C 1.779 176.501 174.700 0.037 0.000 1.036 328 T CA 3.893 65.995 62.100 0.004 0.000 1.147 328 T CB -0.538 68.327 68.868 -0.005 0.000 0.862 328 T HN 0.077 8.241 8.240 -0.011 0.069 0.446 329 Q N 0.943 120.787 119.800 0.073 0.000 2.124 329 Q HA -0.207 nan 4.340 nan 0.000 0.202 329 Q C 1.969 178.090 176.000 0.202 0.000 0.977 329 Q CA 2.906 58.802 55.803 0.155 0.000 0.850 329 Q CB -0.994 27.855 28.738 0.185 0.000 0.901 329 Q HN 0.257 8.558 8.270 0.053 0.000 0.429 330 C N -0.122 119.281 119.300 0.172 0.000 2.435 330 C HA -0.225 nan 4.460 nan 0.000 0.279 330 C C 2.100 177.084 174.990 -0.010 0.000 1.321 330 C CA 3.537 62.609 59.018 0.089 0.000 1.752 330 C CB -1.402 26.377 27.740 0.066 0.000 1.959 330 C HN -0.290 7.917 8.230 0.137 0.105 0.500 331 E N -0.048 120.150 120.200 -0.004 0.000 2.107 331 E HA -0.331 nan 4.350 nan 0.000 0.191 331 E C 2.281 178.869 176.600 -0.019 0.000 0.982 331 E CA 2.975 59.360 56.400 -0.024 0.000 0.809 331 E CB -0.338 29.347 29.700 -0.025 0.000 0.756 331 E HN -0.292 7.970 8.360 0.013 0.106 0.459 332 A N 0.042 122.863 122.820 0.001 0.000 1.872 332 A HA -0.156 nan 4.320 nan 0.000 0.214 332 A C 1.884 179.454 177.584 -0.024 0.000 1.187 332 A CA 2.962 55.000 52.037 0.001 0.000 0.614 332 A CB -0.506 18.510 19.000 0.026 0.000 0.826 332 A HN -0.115 8.047 8.150 0.020 0.000 0.442 333 L N -2.196 119.002 121.223 -0.042 0.000 2.017 333 L HA -0.358 nan 4.340 nan 0.000 0.208 333 L C 1.987 178.784 176.870 -0.123 0.000 1.073 333 L CA 3.226 57.997 54.840 -0.115 0.000 0.745 333 L CB -0.268 41.644 42.059 -0.246 0.000 0.894 333 L HN -0.367 7.855 8.230 -0.013 0.000 0.432 334 T N -2.772 111.717 114.554 -0.109 0.000 2.788 334 T HA -0.376 nan 4.350 nan 0.000 0.268 334 T C 2.369 177.034 174.700 -0.059 0.000 1.044 334 T CA 3.532 65.579 62.100 -0.089 0.000 1.139 334 T CB -0.435 68.391 68.868 -0.070 0.000 0.867 334 T HN -0.001 8.180 8.240 -0.099 0.000 0.454 335 M N 1.430 121.003 119.600 -0.045 0.000 2.117 335 M HA -0.316 nan 4.480 nan 0.000 0.262 335 M C 1.980 178.261 176.300 -0.031 0.000 1.065 335 M CA 3.885 59.168 55.300 -0.029 0.000 1.114 335 M CB 0.048 32.636 32.600 -0.019 0.000 1.361 335 M HN -0.528 7.735 8.290 -0.045 0.000 0.408 336 L N -3.898 117.301 121.223 -0.041 0.000 2.291 336 L HA -0.128 nan 4.340 nan 0.000 0.214 336 L C 1.493 178.331 176.870 -0.054 0.000 1.120 336 L CA 3.049 57.863 54.840 -0.043 0.000 0.799 336 L CB -1.485 40.545 42.059 -0.048 0.000 0.925 336 L HN -0.150 8.053 8.230 -0.046 0.000 0.446 337 C N 0.021 119.282 119.300 -0.066 0.000 2.457 337 C HA -0.283 nan 4.460 nan 0.000 0.278 337 C C 2.208 177.172 174.990 -0.044 0.000 1.309 337 C CA 4.149 63.124 59.018 -0.071 0.000 1.735 337 C CB -2.220 25.466 27.740 -0.089 0.000 1.992 337 C HN -0.322 7.734 8.230 -0.071 0.132 0.493 338 C N 0.490 119.772 119.300 -0.031 0.000 2.446 338 C HA -0.313 nan 4.460 nan 0.000 0.277 338 C C 1.763 176.750 174.990 -0.004 0.000 1.275 338 C CA 4.424 63.433 59.018 -0.015 0.000 1.727 338 C CB -1.824 25.910 27.740 -0.009 0.000 2.010 338 C HN -0.190 8.018 8.230 -0.036 0.000 0.486 339 Q N 0.163 119.958 119.800 -0.007 0.000 2.061 339 Q HA -0.314 nan 4.340 nan 0.000 0.204 339 Q C 2.088 178.097 176.000 0.015 0.000 0.984 339 Q CA 2.982 58.787 55.803 0.003 0.000 0.846 339 Q CB -0.614 28.121 28.738 -0.005 0.000 0.902 339 Q HN -0.432 7.748 8.270 -0.016 0.080 0.421 340 V N 0.023 119.938 119.914 0.003 0.000 2.407 340 V HA -0.434 nan 4.120 nan 0.000 0.248 340 V C 2.398 178.555 176.094 0.105 0.000 1.055 340 V CA 4.095 66.418 62.300 0.038 0.000 1.049 340 V CB -0.961 30.829 31.823 -0.055 0.000 0.662 340 V HN -0.138 8.039 8.190 -0.021 0.000 0.455 341 M N -0.677 118.949 119.600 0.044 0.000 2.132 341 M HA -0.287 nan 4.480 nan 0.000 0.263 341 M C 2.271 178.596 176.300 0.042 0.000 1.065 341 M CA 2.744 58.070 55.300 0.043 0.000 1.122 341 M CB -0.486 32.121 32.600 0.013 0.000 1.365 341 M HN -0.443 7.753 8.290 0.014 0.102 0.411 342 G N -1.801 107.018 108.800 0.032 0.000 2.394 342 G HA2 -0.373 nan 3.960 nan 0.000 0.215 342 G HA3 -0.373 nan 3.960 nan 0.000 0.215 342 G C 0.970 175.880 174.900 0.017 0.000 1.165 342 G CA 1.878 46.992 45.100 0.024 0.000 0.784 342 G HN -0.003 8.304 8.290 0.028 0.000 0.535 343 N N 1.718 120.431 118.700 0.021 0.000 2.149 343 N HA -0.361 nan 4.740 nan 0.000 0.188 343 N C 1.822 177.224 175.510 -0.180 0.000 1.019 343 N CA 2.584 55.614 53.050 -0.035 0.000 0.857 343 N CB -0.466 38.024 38.487 0.005 0.000 0.997 343 N HN 0.102 8.507 8.380 0.042 0.000 0.426 344 D N -0.164 120.161 120.400 -0.126 0.000 2.117 344 D HA -0.215 nan 4.640 nan 0.000 0.197 344 D C 2.279 178.523 176.300 -0.093 0.000 0.987 344 D CA 3.584 57.479 54.000 -0.175 0.000 0.829 344 D CB 0.209 41.065 40.800 0.093 0.000 0.961 344 D HN -0.380 7.889 8.370 0.034 0.121 0.460 345 V N -0.024 119.868 119.914 -0.037 0.000 2.307 345 V HA -0.337 nan 4.120 nan 0.000 0.245 345 V C 1.749 177.829 176.094 -0.023 0.000 1.045 345 V CA 3.322 65.609 62.300 -0.021 0.000 1.024 345 V CB -0.664 31.157 31.823 -0.003 0.000 0.651 345 V HN -0.799 7.297 8.190 -0.017 0.083 0.449 346 A N -0.418 122.395 122.820 -0.011 0.000 1.902 346 A HA -0.357 nan 4.320 nan 0.000 0.217 346 A C 1.921 179.509 177.584 0.007 0.000 1.181 346 A CA 3.437 55.490 52.037 0.027 0.000 0.623 346 A CB -0.882 18.165 19.000 0.077 0.000 0.818 346 A HN -0.457 7.686 8.150 -0.012 0.000 0.443 347 I N -1.914 118.625 120.570 -0.052 0.000 2.226 347 I HA -0.649 nan 4.170 nan 0.000 0.245 347 I C 1.915 178.003 176.117 -0.048 0.000 1.100 347 I CA 4.287 65.552 61.300 -0.058 0.000 1.374 347 I CB -0.416 37.479 38.000 -0.175 0.000 1.057 347 I HN 0.331 8.475 8.210 -0.100 0.006 0.413 348 N N 0.169 118.836 118.700 -0.056 0.000 2.120 348 N HA -0.293 nan 4.740 nan 0.000 0.188 348 N C 2.527 177.991 175.510 -0.077 0.000 1.024 348 N CA 3.007 56.029 53.050 -0.048 0.000 0.852 348 N CB -0.516 37.952 38.487 -0.032 0.000 1.003 348 N HN -0.039 8.194 8.380 -0.068 0.106 0.424 349 M N -0.403 119.149 119.600 -0.080 0.000 2.117 349 M HA -0.333 nan 4.480 nan 0.000 0.262 349 M C 2.205 178.345 176.300 -0.267 0.000 1.065 349 M CA 4.005 59.226 55.300 -0.132 0.000 1.114 349 M CB 0.057 32.608 32.600 -0.082 0.000 1.361 349 M HN 0.292 8.549 8.290 -0.055 0.000 0.408 350 G N -3.404 105.273 108.800 -0.206 0.000 2.408 350 G HA2 -0.228 nan 3.960 nan 0.000 0.217 350 G HA3 -0.228 nan 3.960 nan 0.000 0.217 350 G C 1.837 176.578 174.900 -0.265 0.000 1.150 350 G CA 1.519 46.433 45.100 -0.309 0.000 0.776 350 G HN -0.118 8.119 8.290 -0.089 0.000 0.542 351 G N 1.069 109.795 108.800 -0.124 0.000 2.443 351 G HA2 -0.223 nan 3.960 nan 0.000 0.219 351 G HA3 -0.223 nan 3.960 nan 0.000 0.219 351 G C 0.589 175.431 174.900 -0.097 0.000 1.131 351 G CA 1.033 46.092 45.100 -0.070 0.000 0.775 351 G HN 0.206 8.336 8.290 -0.095 0.103 0.547 352 A N -0.297 122.435 122.820 -0.146 0.000 2.218 352 A HA 0.134 nan 4.320 nan 0.000 0.209 352 A C 0.452 177.926 177.584 -0.183 0.000 1.168 352 A CA 1.022 52.980 52.037 -0.131 0.000 0.804 352 A CB -0.164 18.769 19.000 -0.111 0.000 0.834 352 A HN -0.208 7.844 8.150 -0.164 0.000 0.482 353 S N -0.436 115.068 115.700 -0.327 0.000 2.622 353 S HA 0.064 nan 4.470 nan 0.000 0.236 353 S C -0.119 174.407 174.600 -0.124 0.000 0.956 353 S CA -0.743 57.229 58.200 -0.380 0.000 0.971 353 S CB 0.076 62.693 63.200 -0.971 0.000 0.782 353 S HN -0.693 7.206 8.310 -0.407 0.167 0.468 354 G N 0.301 109.071 108.800 -0.050 0.000 2.527 354 G HA2 0.054 nan 3.960 nan 0.000 0.248 354 G HA3 0.054 nan 3.960 nan 0.000 0.248 354 G C -1.380 173.502 174.900 -0.030 0.000 1.231 354 G CA -0.391 44.733 45.100 0.041 0.000 0.838 354 G HN -0.533 7.634 8.290 -0.086 0.072 0.570 355 N N 3.534 122.218 118.700 -0.026 0.000 2.461 355 N HA 0.299 nan 4.740 nan 0.000 0.284 355 N C -0.494 174.937 175.510 -0.131 0.000 1.049 355 N CA -0.522 52.373 53.050 -0.258 0.000 0.889 355 N CB 2.231 40.595 38.487 -0.205 0.000 1.365 355 N HN -0.482 7.937 8.380 0.066 0.000 0.499 356 F N 0.954 120.943 119.950 0.064 0.000 2.208 356 F HA -0.496 nan 4.527 nan 0.000 0.342 356 F C 0.803 176.650 175.800 0.078 0.000 1.315 356 F CA 2.257 60.294 58.000 0.060 0.000 1.018 356 F CB -1.599 37.432 39.000 0.051 0.000 3.928 356 F HN 0.526 8.512 8.300 -0.523 0.000 0.148 357 E N 0.265 120.667 120.200 0.337 0.000 2.481 357 E HA 0.049 nan 4.350 nan 0.000 0.195 357 E C -0.882 175.823 176.600 0.175 0.000 1.047 357 E CA 0.539 57.077 56.400 0.230 0.000 0.867 357 E CB 0.626 30.445 29.700 0.198 0.000 0.858 357 E HN 0.243 8.843 8.360 0.400 0.000 0.513 358 L N -1.613 119.707 121.223 0.163 0.000 2.482 358 L HA 0.154 nan 4.340 nan 0.000 0.263 358 L C -2.522 174.422 176.870 0.122 0.000 0.957 358 L CA -0.073 54.839 54.840 0.121 0.000 0.836 358 L CB 3.958 46.075 42.059 0.097 0.000 1.324 358 L HN -0.839 7.464 8.230 0.192 0.043 0.406 359 N N 3.981 122.752 118.700 0.118 0.000 2.419 359 N HA 0.284 nan 4.740 nan 0.000 0.264 359 N C -1.205 174.400 175.510 0.159 0.000 1.031 359 N CA -0.453 52.695 53.050 0.164 0.000 0.951 359 N CB 1.776 40.353 38.487 0.150 0.000 1.101 359 N HN -0.137 8.304 8.380 0.103 0.000 0.488 360 V N -0.141 119.875 119.914 0.170 0.000 2.908 360 V HA 0.340 nan 4.120 nan 0.000 0.369 360 V C -1.116 174.852 176.094 -0.209 0.000 1.259 360 V CA -1.567 60.718 62.300 -0.024 0.000 1.406 360 V CB -2.038 29.719 31.823 -0.109 0.000 1.475 360 V HN 0.285 8.636 8.190 0.270 0.000 0.587 361 F N -0.801 119.163 119.950 0.024 0.000 2.817 361 F HA 0.376 nan 4.527 nan 0.000 0.319 361 F C 0.577 176.410 175.800 0.055 0.000 1.136 361 F CA -1.021 57.005 58.000 0.043 0.000 1.177 361 F CB 1.495 40.526 39.000 0.052 0.000 1.088 361 F HN -0.075 8.601 8.300 0.306 -0.192 0.520 362 R N 1.084 121.685 120.500 0.168 0.000 2.083 362 R HA -0.212 nan 4.340 nan 0.000 0.237 362 R C -1.179 175.264 176.300 0.240 0.000 1.137 362 R CA 6.192 62.417 56.100 0.208 0.000 0.951 362 R CB -2.565 27.900 30.300 0.275 0.000 0.851 362 R HN -0.516 7.744 8.270 0.101 0.071 0.434 363 P HA -0.218 nan 4.420 nan 0.000 0.215 363 P C 1.432 178.737 177.300 0.009 0.000 1.153 363 P CA 3.278 66.417 63.100 0.064 0.000 0.853 363 P CB -0.445 31.136 31.700 -0.198 0.000 0.788 364 M N -2.412 117.192 119.600 0.007 0.000 2.117 364 M HA -0.218 nan 4.480 nan 0.000 0.262 364 M C 1.914 178.331 176.300 0.195 0.000 1.065 364 M CA 2.951 58.310 55.300 0.098 0.000 1.114 364 M CB -0.623 32.145 32.600 0.281 0.000 1.361 364 M HN -0.529 7.775 8.290 0.024 0.000 0.408 365 V N 0.538 120.561 119.914 0.182 0.000 2.295 365 V HA -0.396 nan 4.120 nan 0.000 0.246 365 V C 2.157 178.347 176.094 0.160 0.000 1.049 365 V CA 4.653 67.046 62.300 0.155 0.000 1.024 365 V CB -0.916 30.986 31.823 0.133 0.000 0.648 365 V HN -0.487 7.818 8.190 0.191 0.000 0.447 366 I N -0.684 119.976 120.570 0.150 0.000 2.546 366 I HA -0.370 nan 4.170 nan 0.000 0.255 366 I C 0.801 177.010 176.117 0.153 0.000 1.163 366 I CA 1.568 62.946 61.300 0.129 0.000 1.457 366 I CB -0.263 37.758 38.000 0.034 0.000 1.092 366 I HN 0.056 8.364 8.210 0.163 0.000 0.434 367 H N 1.301 120.398 119.070 0.045 0.000 2.321 367 H HA -0.374 nan 4.556 nan 0.000 0.300 367 H C 1.894 177.262 175.328 0.067 0.000 1.087 367 H CA 4.630 60.683 56.048 0.009 0.000 1.319 367 H CB -0.218 29.488 29.762 -0.094 0.000 1.379 367 H HN 0.097 8.400 8.280 0.214 0.105 0.501 368 N N -0.401 118.232 118.700 -0.112 0.000 2.142 368 N HA -0.343 nan 4.740 nan 0.000 0.186 368 N C 2.016 177.521 175.510 -0.009 0.000 1.023 368 N CA 3.864 56.832 53.050 -0.137 0.000 0.852 368 N CB -0.024 38.456 38.487 -0.012 0.000 0.998 368 N HN -0.359 8.087 8.380 0.110 0.000 0.424 369 F N 1.604 121.545 119.950 -0.014 0.000 2.102 369 F HA -0.335 nan 4.527 nan 0.000 0.298 369 F C 1.180 176.998 175.800 0.031 0.000 1.105 369 F CA 4.004 62.057 58.000 0.088 0.000 1.239 369 F CB 0.398 39.442 39.000 0.074 0.000 0.991 369 F HN -0.102 8.343 8.300 0.242 0.000 0.474 370 L N -3.030 118.300 121.223 0.179 0.000 2.141 370 L HA -0.465 nan 4.340 nan 0.000 0.209 370 L C 1.874 178.709 176.870 -0.059 0.000 1.094 370 L CA 2.690 57.571 54.840 0.070 0.000 0.763 370 L CB -0.558 41.550 42.059 0.083 0.000 0.908 370 L HN -0.003 8.352 8.230 0.208 0.000 0.437 371 Q N 0.103 119.839 119.800 -0.107 0.000 2.050 371 Q HA -0.408 nan 4.340 nan 0.000 0.202 371 Q C 2.373 178.301 176.000 -0.120 0.000 0.980 371 Q CA 3.607 59.334 55.803 -0.125 0.000 0.840 371 Q CB -0.176 28.442 28.738 -0.200 0.000 0.898 371 Q HN -0.348 7.834 8.270 -0.123 0.014 0.424 372 S N 0.549 116.164 115.700 -0.142 0.000 2.383 372 S HA -0.362 nan 4.470 nan 0.000 0.229 372 S C 2.233 176.685 174.600 -0.246 0.000 1.030 372 S CA 3.820 61.909 58.200 -0.185 0.000 1.002 372 S CB -0.077 62.997 63.200 -0.210 0.000 0.829 372 S HN -0.410 7.826 8.310 -0.124 0.000 0.467 373 V N 1.715 121.457 119.914 -0.287 0.000 2.358 373 V HA -0.386 nan 4.120 nan 0.000 0.246 373 V C 1.930 177.948 176.094 -0.128 0.000 1.047 373 V CA 4.299 66.463 62.300 -0.226 0.000 1.035 373 V CB -1.113 30.600 31.823 -0.184 0.000 0.658 373 V HN -0.292 7.708 8.190 -0.317 0.000 0.452 374 R N -0.747 119.694 120.500 -0.098 0.000 2.066 374 R HA -0.315 nan 4.340 nan 0.000 0.232 374 R C 2.454 178.717 176.300 -0.062 0.000 1.131 374 R CA 3.647 59.709 56.100 -0.063 0.000 0.955 374 R CB -0.207 30.065 30.300 -0.046 0.000 0.851 374 R HN -0.408 7.710 8.270 -0.107 0.088 0.432 375 L N -0.693 120.486 121.223 -0.074 0.000 2.012 375 L HA -0.384 nan 4.340 nan 0.000 0.210 375 L C 2.589 179.415 176.870 -0.074 0.000 1.073 375 L CA 3.162 57.963 54.840 -0.065 0.000 0.748 375 L CB -0.407 41.610 42.059 -0.069 0.000 0.891 375 L HN 0.349 8.527 8.230 -0.086 0.000 0.431 376 L N -1.758 119.403 121.223 -0.103 0.000 2.027 376 L HA -0.332 nan 4.340 nan 0.000 0.206 376 L C 2.171 178.994 176.870 -0.079 0.000 1.074 376 L CA 2.480 57.256 54.840 -0.107 0.000 0.745 376 L CB -1.701 40.272 42.059 -0.143 0.000 0.898 376 L HN -0.132 8.024 8.230 -0.124 0.000 0.433 377 A N -0.353 122.423 122.820 -0.072 0.000 1.845 377 A HA -0.382 nan 4.320 nan 0.000 0.215 377 A C 2.134 179.699 177.584 -0.032 0.000 1.195 377 A CA 3.610 55.617 52.037 -0.050 0.000 0.616 377 A CB -0.835 18.137 19.000 -0.046 0.000 0.832 377 A HN 0.195 8.294 8.150 -0.085 0.000 0.443 378 D N -2.019 118.365 120.400 -0.028 0.000 2.144 378 D HA -0.207 nan 4.640 nan 0.000 0.200 378 D C 2.710 179.012 176.300 0.002 0.000 0.978 378 D CA 3.022 57.016 54.000 -0.010 0.000 0.833 378 D CB -0.391 40.406 40.800 -0.006 0.000 0.961 378 D HN -0.064 8.285 8.370 -0.036 0.000 0.470 379 G N -0.405 108.388 108.800 -0.011 0.000 2.421 379 G HA2 -0.299 nan 3.960 nan 0.000 0.216 379 G HA3 -0.299 nan 3.960 nan 0.000 0.216 379 G C 1.174 176.092 174.900 0.029 0.000 1.171 379 G CA 2.089 47.188 45.100 -0.001 0.000 0.775 379 G HN 0.207 8.364 8.290 -0.029 0.115 0.543 380 M N 1.187 120.790 119.600 0.005 0.000 2.175 380 M HA -0.382 nan 4.480 nan 0.000 0.264 380 M C 1.942 178.281 176.300 0.065 0.000 1.063 380 M CA 4.068 59.393 55.300 0.042 0.000 1.119 380 M CB -0.026 32.574 32.600 0.001 0.000 1.377 380 M HN -0.167 8.109 8.290 -0.024 0.000 0.415 381 E N 0.344 120.555 120.200 0.018 0.000 2.051 381 E HA -0.358 nan 4.350 nan 0.000 0.192 381 E C 2.147 178.719 176.600 -0.046 0.000 0.991 381 E CA 3.254 59.645 56.400 -0.016 0.000 0.799 381 E CB -0.128 29.558 29.700 -0.025 0.000 0.748 381 E HN -0.189 8.100 8.360 0.006 0.075 0.449 382 S N -0.180 115.520 115.700 -0.000 0.000 2.348 382 S HA -0.292 nan 4.470 nan 0.000 0.221 382 S C 1.906 176.526 174.600 0.033 0.000 1.033 382 S CA 3.233 61.437 58.200 0.008 0.000 1.010 382 S CB -0.034 63.238 63.200 0.120 0.000 0.891 382 S HN -0.145 8.182 8.310 0.028 0.000 0.442 383 F N 1.799 121.728 119.950 -0.035 0.000 2.126 383 F HA -0.397 nan 4.527 nan 0.000 0.299 383 F C 0.980 176.756 175.800 -0.041 0.000 1.096 383 F CA 3.273 61.257 58.000 -0.026 0.000 1.255 383 F CB 0.090 39.064 39.000 -0.043 0.000 0.997 383 F HN 0.193 8.639 8.300 0.244 0.000 0.479 384 N N -1.043 117.655 118.700 -0.003 0.000 2.080 384 N HA -0.418 nan 4.740 nan 0.000 0.189 384 N C 1.741 177.145 175.510 -0.178 0.000 1.036 384 N CA 3.671 56.664 53.050 -0.095 0.000 0.846 384 N CB 0.275 38.755 38.487 -0.011 0.000 1.015 384 N HN -0.009 8.421 8.380 0.111 0.016 0.423 385 K N -2.161 118.101 120.400 -0.231 0.000 2.228 385 K HA -0.140 nan 4.320 nan 0.000 0.202 385 K C 2.014 178.444 176.600 -0.282 0.000 1.051 385 K CA 2.388 58.497 56.287 -0.296 0.000 0.960 385 K CB -0.107 32.149 32.500 -0.407 0.000 0.743 385 K HN -0.388 7.723 8.250 -0.232 0.000 0.458 386 H N -4.009 115.007 119.070 -0.091 0.000 2.549 386 H HA 0.187 nan 4.556 nan 0.000 0.279 386 H C -0.924 174.311 175.328 -0.155 0.000 1.018 386 H CA -0.170 55.823 56.048 -0.092 0.000 1.175 386 H CB 0.022 29.752 29.762 -0.052 0.000 1.485 386 H HN 0.032 8.134 8.280 -0.296 0.000 0.543 387 C N -2.072 117.114 119.300 -0.190 0.000 3.246 387 C HA 0.195 nan 4.460 nan 0.000 0.356 387 C C -0.025 174.764 174.990 -0.334 0.000 2.005 387 C CA 0.428 59.258 59.018 -0.313 0.000 1.822 387 C CB 1.231 28.625 27.740 -0.575 0.000 2.052 387 C HN -0.557 7.475 8.230 -0.237 0.056 0.597 388 A N 2.102 124.607 122.820 -0.526 0.000 1.903 388 A HA -0.317 nan 4.320 nan 0.000 0.219 388 A C 2.051 179.585 177.584 -0.084 0.000 1.191 388 A CA 3.426 55.298 52.037 -0.274 0.000 0.638 388 A CB -0.514 18.358 19.000 -0.213 0.000 0.823 388 A HN 0.272 7.925 8.150 -0.829 0.000 0.451 389 V N -7.206 112.657 119.914 -0.086 0.000 3.078 389 V HA -0.125 nan 4.120 nan 0.000 0.265 389 V C 1.477 177.570 176.094 -0.002 0.000 1.122 389 V CA 1.770 64.050 62.300 -0.034 0.000 1.141 389 V CB -1.170 30.628 31.823 -0.040 0.000 0.735 389 V HN -0.285 7.828 8.190 -0.129 0.000 0.498 390 G N -1.530 107.267 108.800 -0.005 0.000 3.453 390 G HA2 0.207 nan 3.960 nan 0.000 0.263 390 G HA3 0.207 nan 3.960 nan 0.000 0.263 390 G C -0.657 174.279 174.900 0.061 0.000 1.060 390 G CA -1.287 43.829 45.100 0.027 0.000 0.793 390 G HN -0.348 7.753 8.290 -0.041 0.164 0.532 391 I N 2.328 122.953 120.570 0.092 0.000 2.668 391 I HA -0.286 nan 4.170 nan 0.000 0.285 391 I C -0.944 175.300 176.117 0.211 0.000 1.168 391 I CA 1.853 63.241 61.300 0.147 0.000 1.424 391 I CB 0.137 38.270 38.000 0.221 0.000 1.377 391 I HN -0.882 7.373 8.210 0.075 0.000 0.560 392 E N 7.976 128.228 120.200 0.088 0.000 2.266 392 E HA 0.650 nan 4.350 nan 0.000 0.268 392 E C -2.546 173.946 176.600 -0.180 0.000 0.879 392 E CA -3.566 52.832 56.400 -0.004 0.000 0.762 392 E CB 2.790 32.503 29.700 0.021 0.000 1.199 392 E HN 0.642 9.033 8.360 0.052 0.000 0.422 393 P HA 0.322 nan 4.420 nan 0.000 0.284 393 P C -0.997 176.192 177.300 -0.185 0.000 1.253 393 P CA -0.928 61.945 63.100 -0.377 0.000 0.800 393 P CB 0.766 32.082 31.700 -0.640 0.000 0.961 394 N N 4.408 123.038 118.700 -0.116 0.000 2.918 394 N HA 0.202 nan 4.740 nan 0.000 0.247 394 N C 0.508 175.983 175.510 -0.060 0.000 1.117 394 N CA -1.519 51.492 53.050 -0.064 0.000 1.005 394 N CB -0.742 37.725 38.487 -0.033 0.000 1.297 394 N HN 0.372 8.585 8.380 -0.112 0.100 0.513 395 R N 2.418 122.879 120.500 -0.065 0.000 2.103 395 R HA -0.513 nan 4.340 nan 0.000 0.242 395 R C 1.081 177.366 176.300 -0.025 0.000 1.142 395 R CA 4.739 60.810 56.100 -0.048 0.000 0.960 395 R CB -0.296 29.980 30.300 -0.040 0.000 0.858 395 R HN -0.661 7.565 8.270 -0.073 0.000 0.439 396 E N -1.453 118.737 120.200 -0.018 0.000 2.051 396 E HA -0.298 nan 4.350 nan 0.000 0.192 396 E C 2.133 178.731 176.600 -0.004 0.000 0.991 396 E CA 2.862 59.257 56.400 -0.008 0.000 0.799 396 E CB -1.573 28.124 29.700 -0.005 0.000 0.748 396 E HN 0.199 8.547 8.360 -0.021 0.000 0.449 397 R N 0.049 120.545 120.500 -0.006 0.000 2.081 397 R HA -0.204 nan 4.340 nan 0.000 0.235 397 R C 2.285 178.587 176.300 0.004 0.000 1.131 397 R CA 2.137 58.239 56.100 0.002 0.000 0.960 397 R CB -0.956 29.346 30.300 0.004 0.000 0.856 397 R HN -0.650 7.613 8.270 -0.011 0.000 0.436 398 I N -0.311 120.255 120.570 -0.006 0.000 2.163 398 I HA -0.636 nan 4.170 nan 0.000 0.243 398 I C 1.813 177.933 176.117 0.005 0.000 1.085 398 I CA 4.362 65.660 61.300 -0.004 0.000 1.347 398 I CB -0.513 37.473 38.000 -0.023 0.000 1.044 398 I HN 0.216 8.416 8.210 -0.016 0.000 0.408 399 N N -1.041 117.661 118.700 0.004 0.000 2.120 399 N HA -0.375 nan 4.740 nan 0.000 0.188 399 N C 2.201 177.723 175.510 0.020 0.000 1.024 399 N CA 3.402 56.460 53.050 0.013 0.000 0.852 399 N CB -0.455 38.038 38.487 0.011 0.000 1.003 399 N HN -0.355 8.023 8.380 -0.003 0.000 0.424 400 Q N 0.964 120.774 119.800 0.015 0.000 2.061 400 Q HA -0.303 nan 4.340 nan 0.000 0.204 400 Q C 2.419 178.433 176.000 0.024 0.000 0.984 400 Q CA 3.407 59.220 55.803 0.018 0.000 0.846 400 Q CB 0.004 28.750 28.738 0.013 0.000 0.902 400 Q HN -0.164 8.112 8.270 0.010 0.000 0.421 401 L N -1.182 120.055 121.223 0.023 0.000 2.042 401 L HA -0.411 nan 4.340 nan 0.000 0.210 401 L C 2.615 179.505 176.870 0.033 0.000 1.076 401 L CA 2.734 57.591 54.840 0.028 0.000 0.749 401 L CB -0.241 41.835 42.059 0.028 0.000 0.893 401 L HN -0.197 8.045 8.230 0.020 0.000 0.432 402 L N -1.905 119.338 121.223 0.033 0.000 1.989 402 L HA -0.474 nan 4.340 nan 0.000 0.211 402 L C 2.790 179.694 176.870 0.056 0.000 1.071 402 L CA 3.145 58.009 54.840 0.040 0.000 0.749 402 L CB -0.414 41.667 42.059 0.036 0.000 0.890 402 L HN -0.086 8.160 8.230 0.027 0.000 0.431 403 N N -1.895 116.840 118.700 0.057 0.000 2.381 403 N HA -0.255 nan 4.740 nan 0.000 0.182 403 N C 1.554 177.102 175.510 0.064 0.000 1.025 403 N CA 2.433 55.528 53.050 0.075 0.000 0.888 403 N CB -0.591 37.933 38.487 0.062 0.000 0.965 403 N HN -0.108 8.300 8.380 0.046 0.000 0.438 404 E N -3.925 116.303 120.200 0.047 0.000 2.474 404 E HA 0.026 nan 4.350 nan 0.000 0.194 404 E C -0.533 176.096 176.600 0.049 0.000 1.041 404 E CA 0.004 56.428 56.400 0.040 0.000 0.874 404 E CB 0.884 30.602 29.700 0.030 0.000 0.914 404 E HN -0.561 7.686 8.360 0.043 0.139 0.498 405 S N -0.704 115.029 115.700 0.055 0.000 2.617 405 S HA -0.002 nan 4.470 nan 0.000 0.269 405 S C 0.649 175.288 174.600 0.065 0.000 1.292 405 S CA -0.857 57.374 58.200 0.053 0.000 1.010 405 S CB 1.761 64.987 63.200 0.044 0.000 0.944 405 S HN -0.635 7.544 8.310 0.056 0.166 0.536 406 L N 0.000 121.256 121.223 0.054 0.000 2.567 406 L HA 0.081 nan 4.340 nan 0.000 0.225 406 L C 1.631 178.526 176.870 0.041 0.000 1.119 406 L CA 1.250 56.123 54.840 0.055 0.000 0.871 406 L CB 0.023 42.106 42.059 0.041 0.000 1.036 406 L HN 0.324 8.581 8.230 0.044 0.000 0.459 407 M N -2.322 117.298 119.600 0.033 0.000 2.632 407 M HA -0.191 nan 4.480 nan 0.000 0.256 407 M C 0.989 177.305 176.300 0.027 0.000 1.080 407 M CA 1.212 56.526 55.300 0.024 0.000 1.084 407 M CB -1.713 30.899 32.600 0.020 0.000 1.439 407 M HN -0.112 8.132 8.290 0.037 0.068 0.509 408 L N -3.374 117.874 121.223 0.042 0.000 2.592 408 L HA 0.064 nan 4.340 nan 0.000 0.227 408 L C 1.544 178.426 176.870 0.020 0.000 1.127 408 L CA 0.111 54.970 54.840 0.032 0.000 0.884 408 L CB -0.618 41.468 42.059 0.045 0.000 1.065 408 L HN -0.551 7.653 8.230 0.059 0.061 0.457 409 V N 1.301 121.237 119.914 0.035 0.000 2.453 409 V HA -0.477 nan 4.120 nan 0.000 0.252 409 V C 1.163 177.257 176.094 0.001 0.000 1.068 409 V CA 4.248 66.567 62.300 0.031 0.000 1.070 409 V CB -0.417 31.419 31.823 0.023 0.000 0.664 409 V HN -0.416 7.744 8.190 0.041 0.055 0.461 410 T N 1.199 115.749 114.554 -0.005 0.000 2.802 410 T HA -0.364 nan 4.350 nan 0.000 0.269 410 T C 1.892 176.587 174.700 -0.009 0.000 1.062 410 T CA 4.118 66.214 62.100 -0.007 0.000 1.133 410 T CB -0.812 68.058 68.868 0.003 0.000 0.852 410 T HN 0.266 8.485 8.240 0.000 0.021 0.485 411 A N 0.927 123.745 122.820 -0.004 0.000 2.168 411 A HA -0.086 nan 4.320 nan 0.000 0.215 411 A C 1.224 178.850 177.584 0.069 0.000 1.152 411 A CA 2.332 54.377 52.037 0.014 0.000 0.716 411 A CB -0.771 18.236 19.000 0.012 0.000 0.794 411 A HN -0.362 7.743 8.150 -0.008 0.040 0.465 412 L N -3.604 117.650 121.223 0.052 0.000 2.341 412 L HA -0.300 nan 4.340 nan 0.000 0.214 412 L C 1.288 178.156 176.870 -0.004 0.000 1.115 412 L CA 1.859 56.760 54.840 0.101 0.000 0.820 412 L CB -0.630 41.499 42.059 0.118 0.000 0.944 412 L HN 0.441 8.512 8.230 0.020 0.172 0.452 413 N N 0.430 119.103 118.700 -0.045 0.000 2.037 413 N HA -0.390 nan 4.740 nan 0.000 0.196 413 N C 2.121 177.535 175.510 -0.161 0.000 1.034 413 N CA 3.524 56.533 53.050 -0.067 0.000 0.861 413 N CB -0.733 37.743 38.487 -0.018 0.000 1.039 413 N HN -0.464 7.766 8.380 -0.027 0.133 0.427 414 T N -5.949 108.428 114.554 -0.296 0.000 3.025 414 T HA -0.067 nan 4.350 nan 0.000 0.270 414 T C 1.074 175.386 174.700 -0.646 0.000 1.126 414 T CA 2.380 64.205 62.100 -0.458 0.000 1.105 414 T CB -0.713 67.819 68.868 -0.559 0.000 0.884 414 T HN 0.269 8.351 8.240 -0.263 0.000 0.522 415 H N 1.151 119.962 119.070 -0.431 0.000 2.422 415 H HA 0.137 nan 4.556 nan 0.000 0.303 415 H C 1.264 176.354 175.328 -0.397 0.000 1.033 415 H CA 1.377 57.025 56.048 -0.667 0.000 1.335 415 H CB 1.783 30.610 29.762 -1.558 0.000 1.458 415 H HN -0.172 7.654 8.280 -0.448 0.186 0.556 416 I N -7.664 112.825 120.570 -0.135 0.000 4.081 416 I HA 0.397 nan 4.170 nan 0.000 0.333 416 I C -0.577 175.496 176.117 -0.073 0.000 1.413 416 I CA -0.492 60.771 61.300 -0.061 0.000 1.110 416 I CB 1.076 39.094 38.000 0.030 0.000 1.082 416 I HN -0.105 8.033 8.210 -0.120 0.000 0.402 417 G N -0.025 108.733 108.800 -0.070 0.000 2.712 417 G HA2 -0.336 nan 3.960 nan 0.000 0.686 417 G HA3 -0.336 nan 3.960 nan 0.000 0.686 417 G C -0.794 174.119 174.900 0.022 0.000 1.321 417 G CA -0.453 44.633 45.100 -0.024 0.000 0.813 417 G HN -0.550 7.678 8.290 -0.104 0.000 0.599 418 Y N 1.641 121.911 120.300 -0.050 0.000 2.145 418 Y HA -0.391 nan 4.550 nan 0.000 0.286 418 Y C 0.571 176.465 175.900 -0.010 0.000 1.145 418 Y CA 2.948 61.032 58.100 -0.027 0.000 1.148 418 Y CB 0.014 38.457 38.460 -0.029 0.000 0.981 418 Y HN 0.441 8.823 8.280 0.169 0.000 0.507 419 D N -2.462 118.060 120.400 0.204 0.000 2.117 419 D HA -0.280 nan 4.640 nan 0.000 0.197 419 D C 2.716 179.017 176.300 0.002 0.000 0.987 419 D CA 4.260 58.332 54.000 0.119 0.000 0.829 419 D CB -0.817 40.053 40.800 0.116 0.000 0.961 419 D HN 0.439 8.940 8.370 0.220 0.000 0.460 420 K N -0.561 119.815 120.400 -0.039 0.000 2.097 420 K HA -0.186 nan 4.320 nan 0.000 0.205 420 K C 2.049 178.679 176.600 0.050 0.000 1.050 420 K CA 2.682 58.937 56.287 -0.054 0.000 0.938 420 K CB -0.154 32.165 32.500 -0.302 0.000 0.718 420 K HN -0.115 8.107 8.250 -0.047 0.000 0.442 421 A N -0.823 121.978 122.820 -0.032 0.000 1.877 421 A HA -0.183 nan 4.320 nan 0.000 0.216 421 A C 1.909 179.436 177.584 -0.095 0.000 1.186 421 A CA 2.961 54.974 52.037 -0.039 0.000 0.620 421 A CB -0.877 18.058 19.000 -0.108 0.000 0.822 421 A HN -0.447 7.663 8.150 -0.066 0.000 0.443 422 A N -2.490 120.182 122.820 -0.247 0.000 1.969 422 A HA -0.291 nan 4.320 nan 0.000 0.218 422 A C 1.977 179.532 177.584 -0.048 0.000 1.169 422 A CA 2.865 54.764 52.037 -0.230 0.000 0.635 422 A CB -0.869 17.911 19.000 -0.367 0.000 0.810 422 A HN 0.394 8.345 8.150 -0.331 0.000 0.445 423 E N -0.202 120.010 120.200 0.021 0.000 2.047 423 E HA -0.297 nan 4.350 nan 0.000 0.191 423 E C 2.274 178.928 176.600 0.091 0.000 0.987 423 E CA 2.888 59.341 56.400 0.088 0.000 0.799 423 E CB -0.014 29.792 29.700 0.178 0.000 0.752 423 E HN -0.635 7.614 8.360 0.014 0.119 0.449 424 I N -0.184 120.459 120.570 0.121 0.000 2.163 424 I HA -0.536 nan 4.170 nan 0.000 0.243 424 I C 1.692 177.855 176.117 0.075 0.000 1.085 424 I CA 3.780 65.143 61.300 0.105 0.000 1.347 424 I CB -0.241 37.858 38.000 0.164 0.000 1.044 424 I HN -0.204 8.101 8.210 0.157 0.000 0.408 425 A N -0.981 121.874 122.820 0.059 0.000 1.902 425 A HA -0.379 nan 4.320 nan 0.000 0.217 425 A C 1.914 179.544 177.584 0.077 0.000 1.181 425 A CA 3.466 55.534 52.037 0.052 0.000 0.623 425 A CB -0.955 18.047 19.000 0.004 0.000 0.818 425 A HN 0.013 8.190 8.150 0.044 0.000 0.443 426 K N -1.961 118.479 120.400 0.067 0.000 2.057 426 K HA -0.343 nan 4.320 nan 0.000 0.206 426 K C 2.300 178.955 176.600 0.091 0.000 1.050 426 K CA 3.314 59.660 56.287 0.098 0.000 0.935 426 K CB -0.197 32.347 32.500 0.072 0.000 0.715 426 K HN -0.334 7.865 8.250 0.046 0.079 0.439 427 K N -0.578 119.854 120.400 0.055 0.000 1.985 427 K HA -0.321 nan 4.320 nan 0.000 0.210 427 K C 2.046 178.656 176.600 0.016 0.000 1.047 427 K CA 3.188 59.488 56.287 0.021 0.000 0.932 427 K CB 0.027 32.528 32.500 0.002 0.000 0.716 427 K HN -0.180 8.103 8.250 0.055 0.000 0.439 428 A N -2.421 120.421 122.820 0.036 0.000 1.917 428 A HA -0.298 nan 4.320 nan 0.000 0.219 428 A C 2.286 179.898 177.584 0.047 0.000 1.182 428 A CA 3.213 55.270 52.037 0.033 0.000 0.633 428 A CB -0.980 18.052 19.000 0.052 0.000 0.819 428 A HN 0.010 8.187 8.150 0.045 0.000 0.448 429 H N -0.097 118.975 119.070 0.003 0.000 2.357 429 H HA -0.196 nan 4.556 nan 0.000 0.301 429 H C 1.807 177.135 175.328 0.000 0.000 1.082 429 H CA 2.964 59.014 56.048 0.003 0.000 1.342 429 H CB 0.104 29.869 29.762 0.005 0.000 1.389 429 H HN -0.301 8.070 8.280 0.170 0.011 0.511 430 K N -1.405 118.862 120.400 -0.221 0.000 2.062 430 K HA -0.098 nan 4.320 nan 0.000 0.205 430 K C 1.745 178.246 176.600 -0.163 0.000 1.051 430 K CA 1.958 58.101 56.287 -0.239 0.000 0.941 430 K CB 0.415 32.862 32.500 -0.089 0.000 0.719 430 K HN -0.176 8.052 8.250 -0.037 0.000 0.440 431 E N -3.428 116.712 120.200 -0.099 0.000 2.489 431 E HA 0.033 nan 4.350 nan 0.000 0.193 431 E C 0.478 177.039 176.600 -0.065 0.000 1.057 431 E CA -0.183 56.175 56.400 -0.071 0.000 0.866 431 E CB 0.603 30.273 29.700 -0.049 0.000 0.916 431 E HN 0.012 8.327 8.360 -0.075 0.000 0.500 432 G N -0.609 108.147 108.800 -0.073 0.000 2.272 432 G HA2 -0.389 nan 3.960 nan 0.000 0.280 432 G HA3 -0.389 nan 3.960 nan 0.000 0.280 432 G C -0.868 174.015 174.900 -0.027 0.000 1.067 432 G CA 0.769 45.842 45.100 -0.046 0.000 0.902 432 G HN -0.305 7.873 8.290 -0.100 0.052 0.500 433 L N -2.081 119.129 121.223 -0.022 0.000 2.298 433 L HA 0.392 nan 4.340 nan 0.000 0.268 433 L C 0.002 176.866 176.870 -0.010 0.000 1.010 433 L CA -1.167 53.659 54.840 -0.025 0.000 0.812 433 L CB 2.640 44.677 42.059 -0.036 0.000 1.331 433 L HN -0.044 8.063 8.230 -0.019 0.111 0.450 434 T N -4.881 109.655 114.554 -0.029 0.000 2.918 434 T HA 0.255 nan 4.350 nan 0.000 0.283 434 T C 0.928 175.611 174.700 -0.028 0.000 1.001 434 T CA -1.606 60.481 62.100 -0.022 0.000 1.041 434 T CB 1.267 70.102 68.868 -0.055 0.000 1.028 434 T HN -0.252 7.959 8.240 -0.049 0.000 0.511 435 L N 1.363 122.604 121.223 0.031 0.000 2.043 435 L HA -0.422 nan 4.340 nan 0.000 0.212 435 L C 1.589 178.419 176.870 -0.068 0.000 1.075 435 L CA 3.917 58.816 54.840 0.098 0.000 0.752 435 L CB -0.614 41.633 42.059 0.312 0.000 0.891 435 L HN 0.725 8.995 8.230 0.067 0.000 0.432 436 K N -1.449 118.671 120.400 -0.467 0.000 2.057 436 K HA -0.383 nan 4.320 nan 0.000 0.207 436 K C 1.763 178.111 176.600 -0.420 0.000 1.049 436 K CA 3.271 58.977 56.287 -0.968 0.000 0.931 436 K CB -0.305 31.474 32.500 -1.201 0.000 0.714 436 K HN -0.234 7.802 8.250 -0.342 0.009 0.440 437 A N -1.281 121.383 122.820 -0.260 0.000 1.877 437 A HA -0.247 nan 4.320 nan 0.000 0.216 437 A C 2.006 179.516 177.584 -0.124 0.000 1.186 437 A CA 2.932 54.871 52.037 -0.163 0.000 0.620 437 A CB -0.921 18.010 19.000 -0.115 0.000 0.822 437 A HN -0.537 7.468 8.150 -0.241 0.000 0.443 438 A N -2.271 120.493 122.820 -0.093 0.000 1.902 438 A HA -0.302 nan 4.320 nan 0.000 0.217 438 A C 1.891 179.430 177.584 -0.074 0.000 1.181 438 A CA 2.856 54.855 52.037 -0.064 0.000 0.623 438 A CB -0.686 18.303 19.000 -0.018 0.000 0.818 438 A HN 0.101 8.199 8.150 -0.087 0.000 0.443 439 A N -1.260 121.537 122.820 -0.039 0.000 1.902 439 A HA -0.249 nan 4.320 nan 0.000 0.217 439 A C 1.908 179.461 177.584 -0.052 0.000 1.181 439 A CA 2.992 55.040 52.037 0.019 0.000 0.623 439 A CB -0.594 18.505 19.000 0.166 0.000 0.818 439 A HN 0.069 8.085 8.150 -0.048 0.105 0.443 440 L N -2.327 118.839 121.223 -0.095 0.000 2.109 440 L HA -0.211 nan 4.340 nan 0.000 0.207 440 L C 2.514 179.321 176.870 -0.105 0.000 1.086 440 L CA 1.881 56.664 54.840 -0.095 0.000 0.760 440 L CB -0.970 41.019 42.059 -0.117 0.000 0.910 440 L HN -0.118 8.035 8.230 -0.128 0.000 0.437 441 A N -0.715 122.035 122.820 -0.116 0.000 1.940 441 A HA -0.210 nan 4.320 nan 0.000 0.219 441 A C 1.653 179.146 177.584 -0.151 0.000 1.176 441 A CA 2.518 54.487 52.037 -0.113 0.000 0.631 441 A CB -0.037 18.903 19.000 -0.101 0.000 0.814 441 A HN -0.038 8.043 8.150 -0.115 0.000 0.446 442 L N -3.426 117.655 121.223 -0.237 0.000 2.240 442 L HA -0.104 nan 4.340 nan 0.000 0.211 442 L C 1.071 177.711 176.870 -0.384 0.000 1.106 442 L CA 0.401 54.983 54.840 -0.429 0.000 0.793 442 L CB 0.263 41.835 42.059 -0.811 0.000 0.927 442 L HN -0.458 7.633 8.230 -0.217 0.009 0.446 443 G N -3.519 105.153 108.800 -0.213 0.000 2.149 443 G HA2 -0.380 nan 3.960 nan 0.000 0.235 443 G HA3 -0.380 nan 3.960 nan 0.000 0.235 443 G C 0.622 175.592 174.900 0.115 0.000 1.018 443 G CA 0.523 45.593 45.100 -0.050 0.000 0.728 443 G HN -0.438 7.624 8.290 -0.188 0.115 0.508 444 Y N -1.032 119.306 120.300 0.063 0.000 2.516 444 Y HA -0.067 nan 4.550 nan 0.000 0.291 444 Y C -0.251 175.727 175.900 0.130 0.000 1.131 444 Y CA -0.194 57.965 58.100 0.099 0.000 1.281 444 Y CB 0.635 39.164 38.460 0.115 0.000 1.013 444 Y HN -0.567 7.654 8.280 -0.054 0.027 0.554 445 L N -9.228 112.135 121.223 0.234 0.000 2.869 445 L HA 0.405 nan 4.340 nan 0.000 0.265 445 L C -2.102 174.777 176.870 0.015 0.000 1.011 445 L CA -1.243 53.669 54.840 0.119 0.000 0.913 445 L CB 3.004 45.142 42.059 0.133 0.000 1.490 445 L HN -0.918 7.379 8.230 0.172 0.036 0.410 446 S N -1.609 114.045 115.700 -0.077 0.000 2.652 446 S HA 0.229 nan 4.470 nan 0.000 0.270 446 S C 0.564 175.105 174.600 -0.099 0.000 1.243 446 S CA -0.954 57.196 58.200 -0.085 0.000 0.999 446 S CB 2.698 65.839 63.200 -0.099 0.000 0.973 446 S HN 0.299 8.853 8.310 -0.143 -0.329 0.544 447 E N 1.790 121.940 120.200 -0.084 0.000 2.110 447 E HA -0.289 nan 4.350 nan 0.000 0.193 447 E C 1.688 178.250 176.600 -0.064 0.000 0.988 447 E CA 3.287 59.645 56.400 -0.071 0.000 0.804 447 E CB -0.466 29.184 29.700 -0.083 0.000 0.745 447 E HN 0.761 9.073 8.360 -0.079 0.000 0.458 448 A N -1.390 121.364 122.820 -0.110 0.000 1.902 448 A HA -0.224 nan 4.320 nan 0.000 0.217 448 A C 2.349 179.774 177.584 -0.265 0.000 1.181 448 A CA 2.926 54.880 52.037 -0.139 0.000 0.623 448 A CB -0.896 18.028 19.000 -0.126 0.000 0.818 448 A HN 0.183 8.270 8.150 -0.105 0.000 0.443 449 E N -1.012 118.929 120.200 -0.431 0.000 2.077 449 E HA -0.369 nan 4.350 nan 0.000 0.193 449 E C 2.252 178.303 176.600 -0.916 0.000 0.989 449 E CA 2.531 58.341 56.400 -0.984 0.000 0.800 449 E CB -0.101 28.806 29.700 -1.322 0.000 0.746 449 E HN -0.703 7.452 8.360 -0.341 0.000 0.452 450 F N 1.467 121.105 119.950 -0.520 0.000 2.069 450 F HA -0.442 nan 4.527 nan 0.000 0.298 450 F C 1.122 176.832 175.800 -0.150 0.000 1.113 450 F CA 3.796 61.662 58.000 -0.223 0.000 1.214 450 F CB 0.224 39.158 39.000 -0.111 0.000 0.978 450 F HN -0.087 8.108 8.300 -0.175 0.000 0.474 451 D N -2.136 118.329 120.400 0.109 0.000 2.221 451 D HA -0.334 nan 4.640 nan 0.000 0.204 451 D C 2.728 179.001 176.300 -0.045 0.000 0.982 451 D CA 3.514 57.551 54.000 0.061 0.000 0.857 451 D CB -0.782 40.040 40.800 0.037 0.000 0.934 451 D HN 0.266 8.698 8.370 0.102 0.000 0.475 452 S N -0.870 114.740 115.700 -0.151 0.000 2.421 452 S HA -0.087 nan 4.470 nan 0.000 0.224 452 S C 0.974 175.587 174.600 0.021 0.000 1.035 452 S CA 2.027 60.167 58.200 -0.100 0.000 0.953 452 S CB 0.474 63.570 63.200 -0.173 0.000 0.810 452 S HN -0.452 7.570 8.310 -0.259 0.132 0.497 453 W N -1.851 119.311 121.300 -0.230 0.000 2.443 453 W HA -0.036 nan 4.660 nan 0.000 0.296 453 W C 0.990 177.382 176.519 -0.211 0.000 1.202 453 W CA -0.584 56.574 57.345 -0.311 0.000 1.312 453 W CB 0.365 29.469 29.460 -0.593 0.000 1.120 453 W HN -0.247 7.671 8.180 -0.267 0.101 0.536 454 V N 0.695 120.542 119.914 -0.110 0.000 2.276 454 V HA -0.024 nan 4.120 nan 0.000 0.249 454 V C -0.764 175.289 176.094 -0.069 0.000 1.160 454 V CA -0.682 61.513 62.300 -0.175 0.000 1.042 454 V CB -0.716 30.808 31.823 -0.498 0.000 1.224 454 V HN -0.275 7.773 8.190 -0.237 0.000 0.496 455 R N 9.506 130.004 120.500 -0.004 0.000 2.278 455 R HA 0.519 nan 4.340 nan 0.000 0.322 455 R C -1.253 175.055 176.300 0.014 0.000 1.058 455 R CA -4.502 51.606 56.100 0.013 0.000 0.991 455 R CB -0.665 29.654 30.300 0.031 0.000 1.140 455 R HN -0.278 8.176 8.270 0.018 -0.173 0.518 456 P HA -0.159 nan 4.420 nan 0.000 0.223 456 P C 0.318 177.627 177.300 0.015 0.000 1.144 456 P CA 1.950 65.059 63.100 0.015 0.000 0.783 456 P CB 0.112 31.824 31.700 0.020 0.000 0.771 457 E N -2.254 117.956 120.200 0.017 0.000 2.338 457 E HA -0.161 nan 4.350 nan 0.000 0.197 457 E C 0.597 177.206 176.600 0.014 0.000 1.007 457 E CA 1.463 57.873 56.400 0.016 0.000 0.849 457 E CB -1.186 28.525 29.700 0.018 0.000 0.774 457 E HN 0.489 8.799 8.360 0.018 0.061 0.506 458 Q N -1.345 118.464 119.800 0.015 0.000 2.375 458 Q HA 0.141 nan 4.340 nan 0.000 0.316 458 Q C -0.818 175.187 176.000 0.008 0.000 0.927 458 Q CA -1.532 54.279 55.803 0.012 0.000 1.029 458 Q CB -0.669 28.079 28.738 0.017 0.000 1.202 458 Q HN -0.297 7.941 8.270 0.017 0.042 0.431 459 M N 0.000 119.604 119.600 0.007 0.000 2.572 459 M HA 0.000 nan 4.480 nan 0.000 0.227 459 M CA 0.000 55.303 55.300 0.005 0.000 0.988 459 M CB 0.000 32.604 32.600 0.006 0.000 1.302 459 M HN 0.000 8.216 8.290 0.008 0.079 0.411