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 1fuo_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNTVRSEKDS MGAIDVPADK LWGAQTQRSL EHFRISTEKM PTSLIHALAL DATA SEQUENCE TKRAAAKVNE DLGLLSEEKA SAIRQAADEV LAGQHDDEFP LAIWQTGSGT DATA SEQUENCE QSNMNMNEVL ANRASELLGG VRGMERKVHP 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 0.000 176.285 176.300 -0.024 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 N N 1.039 119.728 118.700 -0.017 0.000 2.300 2 N HA 0.049 4.788 4.740 -0.000 0.000 0.179 2 N C -0.194 175.305 175.510 -0.019 0.000 1.016 2 N CA 0.744 53.787 53.050 -0.013 0.000 0.876 2 N CB 0.040 38.523 38.487 -0.007 0.000 0.979 2 N HN 0.671 nan 8.380 nan 0.000 0.432 3 T N 2.123 116.662 114.554 -0.026 0.000 2.908 3 T HA 0.204 4.554 4.350 -0.000 0.000 0.301 3 T C 0.643 175.318 174.700 -0.041 0.000 1.019 3 T CA -0.138 61.944 62.100 -0.030 0.000 1.152 3 T CB 0.542 69.391 68.868 -0.033 0.000 0.966 3 T HN 0.039 nan 8.240 nan 0.000 0.540 4 V N 1.909 121.802 119.914 -0.035 0.000 2.975 4 V HA 0.799 4.919 4.120 -0.000 0.000 0.318 4 V C -0.202 175.866 176.094 -0.044 0.000 1.077 4 V CA -1.424 60.851 62.300 -0.041 0.000 1.000 4 V CB 1.850 33.659 31.823 -0.023 0.000 1.066 4 V HN 0.842 nan 8.190 nan 0.000 0.452 5 R N 1.221 121.689 120.500 -0.052 0.000 2.621 5 R HA 0.603 4.943 4.340 -0.000 0.000 0.292 5 R C -0.724 175.557 176.300 -0.031 0.000 0.969 5 R CA -0.242 55.830 56.100 -0.047 0.000 0.887 5 R CB 2.046 32.303 30.300 -0.072 0.000 1.180 5 R HN 0.953 nan 8.270 nan 0.000 0.450 6 S N 2.729 118.417 115.700 -0.019 0.000 2.430 6 S HA 0.219 4.689 4.470 -0.000 0.000 0.289 6 S C -0.675 173.923 174.600 -0.004 0.000 1.143 6 S CA -0.428 57.767 58.200 -0.007 0.000 1.067 6 S CB 0.541 63.739 63.200 -0.004 0.000 0.964 6 S HN 0.582 nan 8.310 nan 0.000 0.485 7 E N 2.775 122.978 120.200 0.005 0.000 2.281 7 E HA 0.554 4.904 4.350 -0.000 0.000 0.262 7 E C -0.733 175.878 176.600 0.019 0.000 0.933 7 E CA -0.809 55.599 56.400 0.013 0.000 0.809 7 E CB 2.014 31.729 29.700 0.024 0.000 1.242 7 E HN 0.749 nan 8.360 nan 0.000 0.418 8 K N 0.029 120.440 120.400 0.019 0.000 2.536 8 K HA 0.484 4.804 4.320 -0.000 0.000 0.269 8 K C -1.490 175.120 176.600 0.018 0.000 0.965 8 K CA -0.818 55.480 56.287 0.017 0.000 0.860 8 K CB 1.905 34.411 32.500 0.010 0.000 1.423 8 K HN 0.394 nan 8.250 nan 0.000 0.438 9 D N -0.070 120.340 120.400 0.017 0.000 2.798 9 D HA 0.232 4.872 4.640 -0.000 0.000 0.308 9 D C 0.237 176.544 176.300 0.011 0.000 1.187 9 D CA -0.812 53.197 54.000 0.015 0.000 1.033 9 D CB 0.647 41.461 40.800 0.022 0.000 1.445 9 D HN 0.335 nan 8.370 nan 0.000 0.550 10 S N -0.801 114.906 115.700 0.010 0.000 2.420 10 S HA -0.185 4.285 4.470 -0.000 0.000 0.237 10 S C 1.591 176.199 174.600 0.013 0.000 1.023 10 S CA 1.334 59.539 58.200 0.008 0.000 0.991 10 S CB -0.423 62.782 63.200 0.008 0.000 0.792 10 S HN 0.530 nan 8.310 nan 0.000 0.488 11 M N 0.360 119.971 119.600 0.020 0.000 2.541 11 M HA 0.216 4.696 4.480 -0.000 0.000 0.252 11 M C 0.817 177.130 176.300 0.022 0.000 1.125 11 M CA 0.590 55.905 55.300 0.025 0.000 1.091 11 M CB 0.205 32.828 32.600 0.038 0.000 1.420 11 M HN 0.420 nan 8.290 nan 0.000 0.486 12 G N -0.164 108.647 108.800 0.018 0.000 2.302 12 G HA2 0.284 4.244 3.960 -0.000 0.000 0.276 12 G HA3 0.284 4.244 3.960 -0.000 0.000 0.276 12 G C -1.781 173.128 174.900 0.016 0.000 1.316 12 G CA -0.522 44.587 45.100 0.015 0.000 0.988 12 G HN 0.427 nan 8.290 nan 0.000 0.479 13 A N -0.538 122.290 122.820 0.014 0.000 2.312 13 A HA 0.883 5.203 4.320 -0.000 0.000 0.326 13 A C -0.314 177.280 177.584 0.017 0.000 1.172 13 A CA -0.243 51.802 52.037 0.014 0.000 0.821 13 A CB 1.098 20.103 19.000 0.010 0.000 1.166 13 A HN 1.833 nan 8.150 nan 0.000 0.493 14 I N 0.848 121.430 120.570 0.020 0.000 2.802 14 I HA 0.317 4.487 4.170 -0.000 0.000 0.298 14 I C -1.455 174.677 176.117 0.025 0.000 1.176 14 I CA -0.810 60.504 61.300 0.023 0.000 1.025 14 I CB 2.149 40.163 38.000 0.024 0.000 1.243 14 I HN 0.568 nan 8.210 nan 0.000 0.424 15 D N 5.891 126.305 120.400 0.024 0.000 2.351 15 D HA 0.346 4.986 4.640 -0.000 0.000 0.251 15 D C -0.641 175.678 176.300 0.032 0.000 1.137 15 D CA 0.213 54.224 54.000 0.018 0.000 0.879 15 D CB 1.903 42.711 40.800 0.012 0.000 1.181 15 D HN 0.099 nan 8.370 nan 0.000 0.448 16 V N 4.702 124.618 119.914 0.003 0.000 2.604 16 V HA 0.315 4.435 4.120 -0.000 0.000 0.305 16 V C -2.191 173.837 176.094 -0.110 0.000 1.043 16 V CA -1.847 60.439 62.300 -0.024 0.000 0.888 16 V CB 2.265 34.049 31.823 -0.066 0.000 0.995 16 V HN 0.427 nan 8.190 nan 0.000 0.429 17 P HA 0.032 nan 4.420 nan 0.000 0.263 17 P C 0.578 177.739 177.300 -0.231 0.000 1.195 17 P CA 0.226 63.224 63.100 -0.171 0.000 0.762 17 P CB 0.987 32.575 31.700 -0.186 0.000 0.799 18 A N 4.520 127.249 122.820 -0.152 0.000 1.986 18 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 18 A C 1.552 179.036 177.584 -0.165 0.000 1.171 18 A CA 2.019 53.971 52.037 -0.141 0.000 0.640 18 A CB -0.977 17.969 19.000 -0.090 0.000 0.811 18 A HN 0.617 nan 8.150 nan 0.000 0.451 19 D N -1.101 119.194 120.400 -0.175 0.000 2.349 19 D HA 0.025 4.665 4.640 -0.000 0.000 0.224 19 D C 0.166 176.319 176.300 -0.245 0.000 1.029 19 D CA 0.315 54.216 54.000 -0.166 0.000 0.879 19 D CB 0.024 40.755 40.800 -0.116 0.000 0.906 19 D HN 0.072 nan 8.370 nan 0.000 0.528 20 K N 0.471 120.630 120.400 -0.402 0.000 2.118 20 K HA 0.365 4.685 4.320 -0.000 0.000 0.254 20 K C 0.937 177.230 176.600 -0.511 0.000 0.961 20 K CA -0.716 55.197 56.287 -0.623 0.000 0.876 20 K CB 2.181 33.877 32.500 -1.341 0.000 1.077 20 K HN 0.004 nan 8.250 nan 0.000 0.440 21 L N 0.580 121.560 121.223 -0.406 0.000 2.567 21 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 21 L C 0.489 177.277 176.870 -0.137 0.000 1.119 21 L CA -0.213 54.477 54.840 -0.249 0.000 0.871 21 L CB -0.019 41.902 42.059 -0.230 0.000 1.036 21 L HN 0.571 nan 8.230 nan 0.000 0.459 22 W N -0.268 120.942 121.300 -0.151 0.000 1.966 22 W HA 0.601 5.261 4.660 -0.000 0.000 0.367 22 W C 0.589 177.063 176.519 -0.075 0.000 1.451 22 W CA -0.479 56.790 57.345 -0.127 0.000 1.538 22 W CB -0.347 29.030 29.460 -0.138 0.000 1.251 22 W HN -0.172 nan 8.180 nan 0.000 0.671 23 G N -1.165 107.834 108.800 0.333 0.000 3.217 23 G HA2 0.468 4.428 3.960 -0.000 0.000 0.213 23 G HA3 0.468 4.428 3.960 -0.000 0.000 0.213 23 G C 0.535 175.562 174.900 0.213 0.000 1.294 23 G CA -0.460 44.756 45.100 0.193 0.000 0.987 23 G HN 0.936 nan 8.290 nan 0.000 0.584 24 A N -0.834 122.054 122.820 0.112 0.000 1.883 24 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 24 A C 2.227 179.845 177.584 0.056 0.000 1.186 24 A CA 2.213 54.298 52.037 0.080 0.000 0.624 24 A CB -0.743 18.286 19.000 0.048 0.000 0.822 24 A HN 0.616 nan 8.150 nan 0.000 0.444 25 Q N -1.089 118.737 119.800 0.044 0.000 2.119 25 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 25 Q C 2.166 178.153 176.000 -0.023 0.000 0.972 25 Q CA 1.807 57.619 55.803 0.015 0.000 0.847 25 Q CB -0.378 28.371 28.738 0.018 0.000 0.903 25 Q HN 0.682 nan 8.270 nan 0.000 0.433 26 T N 0.739 115.273 114.554 -0.034 0.000 2.821 26 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 26 T C 1.742 176.296 174.700 -0.243 0.000 1.046 26 T CA 1.396 63.382 62.100 -0.190 0.000 1.139 26 T CB -0.134 68.544 68.868 -0.316 0.000 0.871 26 T HN 0.157 nan 8.240 nan 0.000 0.454 27 Q N 1.273 121.038 119.800 -0.059 0.000 2.084 27 Q HA 0.004 4.344 4.340 -0.000 0.000 0.202 27 Q C 2.342 178.292 176.000 -0.083 0.000 0.978 27 Q CA 1.548 57.364 55.803 0.021 0.000 0.844 27 Q CB -0.171 28.673 28.738 0.177 0.000 0.898 27 Q HN 0.407 nan 8.270 nan 0.000 0.426 28 R N -0.737 119.696 120.500 -0.112 0.000 2.081 28 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 28 R C 2.460 178.547 176.300 -0.354 0.000 1.131 28 R CA 1.503 57.437 56.100 -0.277 0.000 0.960 28 R CB -0.293 29.906 30.300 -0.169 0.000 0.856 28 R HN 0.206 nan 8.270 nan 0.000 0.436 29 S N 1.319 116.955 115.700 -0.106 0.000 2.368 29 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 29 S C 1.823 176.476 174.600 0.087 0.000 1.030 29 S CA 0.881 59.140 58.200 0.099 0.000 0.999 29 S CB -0.280 62.942 63.200 0.036 0.000 0.844 29 S HN 0.141 nan 8.310 nan 0.000 0.459 30 L N 2.039 123.221 121.223 -0.069 0.000 2.081 30 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 30 L C 1.926 178.782 176.870 -0.023 0.000 1.080 30 L CA 1.801 56.599 54.840 -0.071 0.000 0.754 30 L CB -0.617 41.346 42.059 -0.160 0.000 0.893 30 L HN 0.306 nan 8.230 nan 0.000 0.433 31 E N -2.316 117.832 120.200 -0.087 0.000 2.385 31 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 31 E C 1.542 178.158 176.600 0.028 0.000 1.013 31 E CA 0.423 56.787 56.400 -0.060 0.000 0.866 31 E CB 0.056 29.693 29.700 -0.104 0.000 0.832 31 E HN 0.576 nan 8.360 nan 0.000 0.500 32 H N -1.234 117.782 119.070 -0.091 0.000 2.582 32 H HA 0.127 4.683 4.556 -0.000 0.000 0.269 32 H C 0.116 175.098 175.328 -0.576 0.000 0.962 32 H CA 0.261 56.107 56.048 -0.336 0.000 1.230 32 H CB 0.250 29.742 29.762 -0.449 0.000 1.445 32 H HN 0.043 nan 8.280 nan 0.000 0.528 33 F N 1.068 121.080 119.950 0.103 0.000 2.664 33 F HA 0.338 4.865 4.527 -0.000 0.000 0.322 33 F C 0.451 176.287 175.800 0.059 0.000 1.324 33 F CA -0.464 57.579 58.000 0.071 0.000 1.154 33 F CB 0.313 39.343 39.000 0.050 0.000 1.236 33 F HN -0.274 nan 8.300 nan 0.000 0.532 34 R N 1.911 122.484 120.500 0.121 0.000 3.710 34 R HA 0.378 4.718 4.340 -0.000 0.000 0.201 34 R C -0.601 175.761 176.300 0.104 0.000 1.641 34 R CA 0.091 56.250 56.100 0.098 0.000 1.390 34 R CB -0.126 30.205 30.300 0.052 0.000 1.341 34 R HN 0.392 nan 8.270 nan 0.000 0.728 35 I N 0.842 121.514 120.570 0.170 0.000 2.411 35 I HA 0.124 4.294 4.170 -0.000 0.000 0.284 35 I C 0.588 176.821 176.117 0.193 0.000 1.012 35 I CA -0.324 61.067 61.300 0.153 0.000 1.119 35 I CB 1.643 39.762 38.000 0.198 0.000 1.261 35 I HN 0.516 nan 8.210 nan 0.000 0.448 36 S N 4.241 119.992 115.700 0.085 0.000 3.245 36 S HA -0.268 4.202 4.470 -0.000 0.000 0.631 36 S C 1.005 175.688 174.600 0.138 0.000 2.821 36 S CA 1.668 59.924 58.200 0.093 0.000 3.266 36 S CB -0.760 62.481 63.200 0.067 0.000 0.314 36 S HN 0.989 nan 8.310 nan 0.000 1.621 37 T N -1.503 113.144 114.554 0.155 0.000 3.016 37 T HA 0.462 4.812 4.350 -0.000 0.000 0.271 37 T C -0.144 174.624 174.700 0.113 0.000 0.968 37 T CA 0.462 62.633 62.100 0.119 0.000 0.891 37 T CB 0.104 69.026 68.868 0.090 0.000 1.149 37 T HN 0.515 nan 8.240 nan 0.000 0.524 38 E N 2.648 122.940 120.200 0.152 0.000 2.324 38 E HA 0.435 4.785 4.350 -0.000 0.000 0.271 38 E C 0.035 176.592 176.600 -0.072 0.000 1.028 38 E CA -0.056 56.363 56.400 0.032 0.000 0.890 38 E CB 0.614 30.270 29.700 -0.073 0.000 1.004 38 E HN 0.241 nan 8.360 nan 0.000 0.431 39 K N 1.980 122.354 120.400 -0.044 0.000 2.313 39 K HA 0.455 4.775 4.320 -0.000 0.000 0.235 39 K C 0.149 176.718 176.600 -0.052 0.000 1.035 39 K CA -1.052 55.203 56.287 -0.054 0.000 0.868 39 K CB 0.699 33.202 32.500 0.005 0.000 1.232 39 K HN 0.400 nan 8.250 nan 0.000 0.459 40 M N 2.175 121.751 119.600 -0.040 0.000 2.248 40 M HA 0.139 4.619 4.480 -0.000 0.000 0.345 40 M C -2.003 174.286 176.300 -0.017 0.000 1.243 40 M CA -1.589 53.698 55.300 -0.023 0.000 1.090 40 M CB -0.951 31.641 32.600 -0.013 0.000 1.683 40 M HN 0.139 nan 8.290 nan 0.000 0.450 41 P HA 0.114 nan 4.420 nan 0.000 0.269 41 P C 0.682 177.921 177.300 -0.101 0.000 1.209 41 P CA 0.027 63.109 63.100 -0.031 0.000 0.776 41 P CB 0.391 32.080 31.700 -0.018 0.000 0.876 42 T N 0.243 114.715 114.554 -0.136 0.000 2.759 42 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 42 T C 1.781 176.228 174.700 -0.422 0.000 1.042 42 T CA 2.134 64.065 62.100 -0.282 0.000 1.140 42 T CB -0.667 68.030 68.868 -0.284 0.000 0.864 42 T HN 0.606 nan 8.240 nan 0.000 0.455 43 S N 1.743 117.289 115.700 -0.257 0.000 2.382 43 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 43 S C 2.017 176.544 174.600 -0.122 0.000 1.027 43 S CA 0.456 58.550 58.200 -0.176 0.000 0.991 43 S CB -0.607 62.546 63.200 -0.078 0.000 0.823 43 S HN 0.322 nan 8.310 nan 0.000 0.469 44 L N 1.013 122.160 121.223 -0.127 0.000 2.109 44 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 44 L C 2.222 178.999 176.870 -0.155 0.000 1.086 44 L CA 1.459 56.218 54.840 -0.136 0.000 0.760 44 L CB -0.885 41.097 42.059 -0.127 0.000 0.910 44 L HN 0.265 nan 8.230 nan 0.000 0.437 45 I N -0.054 120.400 120.570 -0.193 0.000 2.226 45 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 45 I C 2.521 178.579 176.117 -0.098 0.000 1.100 45 I CA 1.441 62.574 61.300 -0.278 0.000 1.374 45 I CB -1.370 36.368 38.000 -0.437 0.000 1.057 45 I HN 0.420 nan 8.210 nan 0.000 0.413 46 H N 0.161 119.131 119.070 -0.166 0.000 2.389 46 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 46 H C 2.228 177.499 175.328 -0.095 0.000 1.081 46 H CA 0.880 56.866 56.048 -0.104 0.000 1.345 46 H CB 0.289 30.016 29.762 -0.059 0.000 1.393 46 H HN 0.329 nan 8.280 nan 0.000 0.520 47 A N 1.196 124.027 122.820 0.020 0.000 1.902 47 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 47 A C 2.389 179.921 177.584 -0.087 0.000 1.181 47 A CA 0.875 52.883 52.037 -0.048 0.000 0.623 47 A CB -0.702 18.247 19.000 -0.085 0.000 0.818 47 A HN 0.301 nan 8.150 nan 0.000 0.443 48 L N -0.873 120.290 121.223 -0.099 0.000 2.046 48 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 48 L C 3.074 179.915 176.870 -0.049 0.000 1.077 48 L CA 1.131 55.919 54.840 -0.086 0.000 0.747 48 L CB -0.416 41.592 42.059 -0.085 0.000 0.896 48 L HN 0.471 nan 8.230 nan 0.000 0.432 49 A N -0.237 122.557 122.820 -0.042 0.000 1.902 49 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 49 A C 2.181 179.750 177.584 -0.025 0.000 1.181 49 A CA 1.290 53.317 52.037 -0.016 0.000 0.623 49 A CB -0.641 18.348 19.000 -0.018 0.000 0.818 49 A HN 0.378 nan 8.150 nan 0.000 0.443 50 L N -0.695 120.503 121.223 -0.041 0.000 2.046 50 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 50 L C 2.827 179.656 176.870 -0.067 0.000 1.077 50 L CA 1.825 56.635 54.840 -0.051 0.000 0.747 50 L CB -0.768 41.258 42.059 -0.056 0.000 0.896 50 L HN 0.364 nan 8.230 nan 0.000 0.432 51 T N -0.707 113.798 114.554 -0.082 0.000 2.746 51 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 51 T C 1.926 176.602 174.700 -0.040 0.000 1.039 51 T CA 1.045 63.092 62.100 -0.088 0.000 1.142 51 T CB -0.046 68.765 68.868 -0.094 0.000 0.866 51 T HN 0.168 nan 8.240 nan 0.000 0.444 52 K N 0.980 121.371 120.400 -0.015 0.000 2.097 52 K HA 0.032 4.352 4.320 -0.000 0.000 0.205 52 K C 2.371 178.977 176.600 0.010 0.000 1.050 52 K CA 0.823 57.117 56.287 0.013 0.000 0.938 52 K CB -0.315 32.202 32.500 0.028 0.000 0.718 52 K HN 0.289 nan 8.250 nan 0.000 0.442 53 R N 0.750 121.248 120.500 -0.004 0.000 2.073 53 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 53 R C 2.188 178.481 176.300 -0.012 0.000 1.134 53 R CA 1.419 57.515 56.100 -0.006 0.000 0.952 53 R CB -0.158 30.134 30.300 -0.014 0.000 0.850 53 R HN 0.156 nan 8.270 nan 0.000 0.433 54 A N 0.657 123.458 122.820 -0.031 0.000 1.902 54 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 54 A C 2.330 179.897 177.584 -0.029 0.000 1.181 54 A CA 1.615 53.625 52.037 -0.046 0.000 0.623 54 A CB -0.708 18.239 19.000 -0.088 0.000 0.818 54 A HN 0.527 nan 8.150 nan 0.000 0.443 55 A N -0.136 122.686 122.820 0.003 0.000 1.933 55 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 55 A C 2.485 180.125 177.584 0.092 0.000 1.175 55 A CA 2.062 54.151 52.037 0.087 0.000 0.628 55 A CB -0.954 18.124 19.000 0.131 0.000 0.814 55 A HN 1.017 nan 8.150 nan 0.000 0.444 56 A N -0.041 122.807 122.820 0.047 0.000 1.877 56 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 56 A C 2.081 179.680 177.584 0.026 0.000 1.186 56 A CA 2.370 54.428 52.037 0.035 0.000 0.620 56 A CB -0.442 18.570 19.000 0.020 0.000 0.822 56 A HN 0.443 nan 8.150 nan 0.000 0.443 57 K N -0.007 120.400 120.400 0.013 0.000 2.009 57 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 57 K C 1.695 178.299 176.600 0.006 0.000 1.049 57 K CA 2.093 58.382 56.287 0.003 0.000 0.929 57 K CB -0.897 31.598 32.500 -0.009 0.000 0.714 57 K HN 0.177 nan 8.250 nan 0.000 0.440 58 V N 1.339 121.259 119.914 0.011 0.000 2.407 58 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 58 V C 1.935 178.063 176.094 0.056 0.000 1.055 58 V CA 2.205 64.517 62.300 0.019 0.000 1.049 58 V CB -0.720 31.097 31.823 -0.010 0.000 0.662 58 V HN 0.435 nan 8.190 nan 0.000 0.455 59 N N -0.431 118.322 118.700 0.088 0.000 2.166 59 N HA -0.218 4.522 4.740 -0.000 0.000 0.186 59 N C 1.980 177.499 175.510 0.014 0.000 1.019 59 N CA 1.248 54.334 53.050 0.060 0.000 0.856 59 N CB -0.023 38.496 38.487 0.055 0.000 0.993 59 N HN 0.615 nan 8.380 nan 0.000 0.426 60 E N 0.981 121.187 120.200 0.010 0.000 2.028 60 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 60 E C 0.892 177.484 176.600 -0.014 0.000 0.988 60 E CA 1.152 57.550 56.400 -0.002 0.000 0.799 60 E CB 0.148 29.848 29.700 -0.001 0.000 0.755 60 E HN 0.245 nan 8.360 nan 0.000 0.447 61 D N 0.524 120.913 120.400 -0.017 0.000 2.190 61 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 61 D C 1.688 177.953 176.300 -0.058 0.000 0.992 61 D CA 0.894 54.875 54.000 -0.031 0.000 0.854 61 D CB -0.054 40.727 40.800 -0.031 0.000 0.936 61 D HN 0.296 nan 8.370 nan 0.000 0.462 62 L N -0.631 120.545 121.223 -0.078 0.000 2.611 62 L HA 0.212 4.552 4.340 -0.000 0.000 0.229 62 L C 1.275 178.096 176.870 -0.081 0.000 1.137 62 L CA 0.115 54.864 54.840 -0.152 0.000 0.901 62 L CB -0.131 41.781 42.059 -0.246 0.000 1.098 62 L HN 0.046 nan 8.230 nan 0.000 0.456 63 G N 0.636 109.412 108.800 -0.040 0.000 2.198 63 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 63 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 63 G C 0.693 175.588 174.900 -0.008 0.000 1.025 63 G CA 0.447 45.536 45.100 -0.017 0.000 0.769 63 G HN 0.400 nan 8.290 nan 0.000 0.507 64 L N -1.664 119.552 121.223 -0.011 0.000 2.463 64 L HA 0.467 4.807 4.340 -0.000 0.000 0.219 64 L C 1.291 178.161 176.870 -0.000 0.000 1.088 64 L CA 0.358 55.196 54.840 -0.004 0.000 0.849 64 L CB 0.213 42.265 42.059 -0.011 0.000 1.012 64 L HN 0.244 nan 8.230 nan 0.000 0.468 65 L N 0.058 121.281 121.223 0.000 0.000 2.408 65 L HA 0.340 4.680 4.340 -0.000 0.000 0.268 65 L C 0.143 177.013 176.870 -0.001 0.000 0.986 65 L CA -0.593 54.248 54.840 0.002 0.000 0.820 65 L CB 2.549 44.611 42.059 0.004 0.000 1.303 65 L HN 0.054 nan 8.230 nan 0.000 0.411 66 S N 1.153 116.852 115.700 -0.002 0.000 2.568 66 S HA 0.005 4.475 4.470 -0.000 0.000 0.282 66 S C 0.928 175.525 174.600 -0.006 0.000 1.338 66 S CA -0.290 57.907 58.200 -0.004 0.000 1.045 66 S CB 1.354 64.550 63.200 -0.006 0.000 0.873 66 S HN 0.781 nan 8.310 nan 0.000 0.516 67 E N 1.948 122.145 120.200 -0.005 0.000 2.070 67 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 67 E C 1.622 178.218 176.600 -0.007 0.000 1.004 67 E CA 1.976 58.373 56.400 -0.005 0.000 0.805 67 E CB -0.333 29.364 29.700 -0.004 0.000 0.744 67 E HN 0.906 nan 8.360 nan 0.000 0.451 68 E N 0.146 120.341 120.200 -0.008 0.000 2.051 68 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 68 E C 2.235 178.826 176.600 -0.015 0.000 0.991 68 E CA 1.321 57.715 56.400 -0.011 0.000 0.799 68 E CB -0.097 29.596 29.700 -0.012 0.000 0.748 68 E HN 0.073 nan 8.360 nan 0.000 0.449 69 K N 0.803 121.191 120.400 -0.020 0.000 2.057 69 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 69 K C 1.991 178.580 176.600 -0.018 0.000 1.050 69 K CA 1.242 57.512 56.287 -0.028 0.000 0.935 69 K CB -0.135 32.343 32.500 -0.036 0.000 0.715 69 K HN 0.085 nan 8.250 nan 0.000 0.439 70 A N 0.452 123.266 122.820 -0.010 0.000 1.902 70 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 70 A C 2.140 179.722 177.584 -0.002 0.000 1.181 70 A CA 2.182 54.218 52.037 -0.003 0.000 0.623 70 A CB -0.922 18.079 19.000 0.000 0.000 0.818 70 A HN 0.538 nan 8.150 nan 0.000 0.443 71 S N 0.024 115.722 115.700 -0.004 0.000 2.402 71 S HA 0.116 4.586 4.470 -0.000 0.000 0.229 71 S C 2.054 176.654 174.600 -0.001 0.000 1.021 71 S CA 1.160 59.359 58.200 -0.002 0.000 0.974 71 S CB -0.560 62.638 63.200 -0.003 0.000 0.800 71 S HN 0.830 nan 8.310 nan 0.000 0.484 72 A N 2.136 124.954 122.820 -0.005 0.000 1.873 72 A HA 0.140 4.460 4.320 -0.000 0.000 0.215 72 A C 2.205 179.790 177.584 0.001 0.000 1.186 72 A CA 1.311 53.346 52.037 -0.005 0.000 0.616 72 A CB -0.825 18.166 19.000 -0.015 0.000 0.823 72 A HN 0.544 nan 8.150 nan 0.000 0.442 73 I N -1.191 119.378 120.570 -0.001 0.000 2.163 73 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 73 I C 2.741 178.867 176.117 0.016 0.000 1.085 73 I CA 1.678 62.983 61.300 0.007 0.000 1.347 73 I CB -0.273 37.731 38.000 0.007 0.000 1.044 73 I HN 0.284 nan 8.210 nan 0.000 0.408 74 R N 0.433 120.939 120.500 0.011 0.000 2.091 74 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 74 R C 2.376 178.684 176.300 0.014 0.000 1.136 74 R CA 1.716 57.821 56.100 0.010 0.000 0.959 74 R CB -0.236 30.067 30.300 0.004 0.000 0.856 74 R HN 0.371 nan 8.270 nan 0.000 0.437 75 Q N -0.759 119.050 119.800 0.016 0.000 2.079 75 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 75 Q C 1.915 177.940 176.000 0.043 0.000 0.974 75 Q CA 1.586 57.402 55.803 0.022 0.000 0.840 75 Q CB -0.078 28.671 28.738 0.018 0.000 0.898 75 Q HN 0.444 nan 8.270 nan 0.000 0.430 76 A N 0.678 123.526 122.820 0.047 0.000 1.902 76 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 76 A C 2.260 179.907 177.584 0.105 0.000 1.181 76 A CA 1.665 53.748 52.037 0.077 0.000 0.623 76 A CB -0.967 18.057 19.000 0.039 0.000 0.818 76 A HN 0.535 nan 8.150 nan 0.000 0.443 77 A N -0.018 122.843 122.820 0.068 0.000 1.902 77 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 77 A C 1.779 179.382 177.584 0.033 0.000 1.181 77 A CA 1.899 53.971 52.037 0.059 0.000 0.623 77 A CB -0.619 18.398 19.000 0.029 0.000 0.818 77 A HN 0.463 nan 8.150 nan 0.000 0.443 78 D N -0.185 120.226 120.400 0.019 0.000 2.149 78 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 78 D C 1.910 178.200 176.300 -0.016 0.000 0.990 78 D CA 1.388 55.382 54.000 -0.011 0.000 0.839 78 D CB -0.349 40.447 40.800 -0.006 0.000 0.948 78 D HN 0.663 nan 8.370 nan 0.000 0.460 79 E N 0.210 120.432 120.200 0.036 0.000 2.110 79 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 79 E C 2.301 178.890 176.600 -0.019 0.000 0.988 79 E CA 0.510 56.914 56.400 0.007 0.000 0.804 79 E CB 0.145 29.914 29.700 0.115 0.000 0.745 79 E HN 0.118 nan 8.360 nan 0.000 0.458 80 V N 1.639 121.631 119.914 0.130 0.000 2.295 80 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 80 V C 2.327 178.316 176.094 -0.176 0.000 1.049 80 V CA 1.430 63.815 62.300 0.141 0.000 1.024 80 V CB -0.423 31.530 31.823 0.216 0.000 0.648 80 V HN 0.259 nan 8.190 nan 0.000 0.447 81 L N 0.209 121.266 121.223 -0.277 0.000 2.131 81 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 81 L C 2.454 179.096 176.870 -0.379 0.000 1.092 81 L CA 1.395 55.914 54.840 -0.534 0.000 0.759 81 L CB -0.611 41.290 42.059 -0.262 0.000 0.903 81 L HN 0.368 nan 8.230 nan 0.000 0.435 82 A N -0.527 122.184 122.820 -0.181 0.000 2.238 82 A HA 0.254 4.574 4.320 -0.000 0.000 0.208 82 A C 1.720 179.272 177.584 -0.053 0.000 1.177 82 A CA 0.750 52.731 52.037 -0.095 0.000 0.804 82 A CB -0.428 18.528 19.000 -0.073 0.000 0.823 82 A HN 0.517 nan 8.150 nan 0.000 0.482 83 G N -1.018 107.758 108.800 -0.040 0.000 2.137 83 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.237 83 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.237 83 G C 0.558 175.456 174.900 -0.003 0.000 1.002 83 G CA 0.535 45.676 45.100 0.069 0.000 0.702 83 G HN 0.570 nan 8.290 nan 0.000 0.515 84 Q N -0.785 118.927 119.800 -0.147 0.000 2.432 84 Q HA 0.090 4.430 4.340 -0.000 0.000 0.205 84 Q C 0.928 176.685 176.000 -0.405 0.000 0.945 84 Q CA 0.754 56.358 55.803 -0.332 0.000 0.924 84 Q CB 0.221 28.640 28.738 -0.531 0.000 1.016 84 Q HN 0.755 nan 8.270 nan 0.000 0.503 85 H N -0.581 118.586 119.070 0.162 0.000 2.637 85 H HA 0.143 4.699 4.556 -0.000 0.000 0.245 85 H C 0.030 175.550 175.328 0.320 0.000 1.190 85 H CA -0.286 55.878 56.048 0.193 0.000 0.934 85 H CB 0.611 30.489 29.762 0.194 0.000 1.950 85 H HN 0.162 nan 8.280 nan 0.000 0.614 86 D N 0.981 121.593 120.400 0.353 0.000 2.265 86 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 86 D C 1.596 178.101 176.300 0.342 0.000 0.977 86 D CA 1.063 55.284 54.000 0.369 0.000 0.871 86 D CB 0.124 41.057 40.800 0.223 0.000 0.925 86 D HN 0.607 nan 8.370 nan 0.000 0.485 87 D N 0.314 120.865 120.400 0.251 0.000 2.349 87 D HA -0.099 4.541 4.640 -0.000 0.000 0.224 87 D C 0.867 177.300 176.300 0.222 0.000 1.029 87 D CA 0.322 54.446 54.000 0.208 0.000 0.879 87 D CB -0.013 40.879 40.800 0.152 0.000 0.906 87 D HN 0.100 nan 8.370 nan 0.000 0.528 88 E N -0.014 120.248 120.200 0.102 0.000 2.465 88 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 88 E C -0.407 175.866 176.600 -0.545 0.000 1.053 88 E CA -0.092 56.233 56.400 -0.124 0.000 0.869 88 E CB -0.051 29.390 29.700 -0.432 0.000 0.977 88 E HN 0.368 nan 8.360 nan 0.000 0.483 89 F N 1.572 121.612 119.950 0.150 0.000 2.550 89 F HA 0.262 4.789 4.527 -0.000 0.000 0.348 89 F C -1.501 174.249 175.800 -0.083 0.000 1.219 89 F CA -1.824 56.176 58.000 -0.001 0.000 1.203 89 F CB 1.477 40.500 39.000 0.038 0.000 1.436 89 F HN -0.141 nan 8.300 nan 0.000 0.541 90 P HA 0.042 nan 4.420 nan 0.000 0.245 90 P C 0.190 177.401 177.300 -0.148 0.000 1.206 90 P CA 0.513 63.505 63.100 -0.180 0.000 0.781 90 P CB 0.703 32.157 31.700 -0.410 0.000 0.994 91 L N 0.530 121.664 121.223 -0.148 0.000 2.456 91 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 91 L C 1.095 177.912 176.870 -0.088 0.000 1.189 91 L CA -0.673 54.096 54.840 -0.120 0.000 0.846 91 L CB 0.203 42.180 42.059 -0.136 0.000 1.111 91 L HN -0.030 nan 8.230 nan 0.000 0.475 92 A N 3.297 126.070 122.820 -0.078 0.000 2.313 92 A HA 0.305 4.625 4.320 -0.000 0.000 0.261 92 A C 1.182 178.599 177.584 -0.278 0.000 1.090 92 A CA -0.542 51.433 52.037 -0.103 0.000 0.807 92 A CB 0.448 19.477 19.000 0.049 0.000 1.055 92 A HN 0.699 nan 8.150 nan 0.000 0.492 93 I N -1.072 119.171 120.570 -0.544 0.000 2.315 93 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 93 I C 0.665 176.271 176.117 -0.852 0.000 1.117 93 I CA 0.885 61.691 61.300 -0.823 0.000 1.404 93 I CB -0.941 36.241 38.000 -1.364 0.000 1.071 93 I HN 0.735 nan 8.210 nan 0.000 0.419 94 W N 3.989 125.229 121.300 -0.101 0.000 1.564 94 W HA 0.252 4.912 4.660 -0.000 0.000 0.480 94 W C 1.071 177.493 176.519 -0.161 0.000 0.699 94 W CA -0.647 56.648 57.345 -0.083 0.000 1.985 94 W CB -0.784 28.671 29.460 -0.009 0.000 1.738 94 W HN 0.265 nan 8.180 nan 0.000 0.218 95 Q N -0.902 118.710 119.800 -0.312 0.000 3.353 95 Q HA 0.487 4.827 4.340 -0.000 0.000 0.302 95 Q C -0.020 175.602 176.000 -0.630 0.000 0.991 95 Q CA -1.130 54.181 55.803 -0.819 0.000 0.827 95 Q CB 0.498 28.803 28.738 -0.721 0.000 1.694 95 Q HN -0.100 nan 8.270 nan 0.000 0.458 96 T N -0.732 113.425 114.554 -0.662 0.000 2.902 96 T HA 0.157 4.507 4.350 -0.000 0.000 0.301 96 T C 1.236 175.728 174.700 -0.347 0.000 1.012 96 T CA 0.522 62.397 62.100 -0.376 0.000 1.151 96 T CB 0.239 68.934 68.868 -0.289 0.000 0.946 96 T HN 0.658 nan 8.240 nan 0.000 0.542 97 G N 2.694 111.329 108.800 -0.275 0.000 2.501 97 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 97 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 97 G C 1.580 176.328 174.900 -0.254 0.000 1.114 97 G CA 0.907 45.844 45.100 -0.272 0.000 0.757 97 G HN 0.873 nan 8.290 nan 0.000 0.559 98 S N -1.143 114.396 115.700 -0.269 0.000 2.524 98 S HA 0.370 4.840 4.470 -0.000 0.000 0.216 98 S C 1.804 176.079 174.600 -0.542 0.000 0.987 98 S CA 0.898 58.948 58.200 -0.251 0.000 0.909 98 S CB 0.146 63.257 63.200 -0.148 0.000 0.781 98 S HN 1.446 nan 8.310 nan 0.000 0.521 99 G N 0.898 109.244 108.800 -0.757 0.000 2.136 99 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 99 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 99 G C 0.649 175.201 174.900 -0.581 0.000 0.989 99 G CA 0.516 44.892 45.100 -1.207 0.000 0.682 99 G HN 0.455 nan 8.290 nan 0.000 0.522 100 T N 0.369 114.715 114.554 -0.347 0.000 2.684 100 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 100 T C 2.355 176.970 174.700 -0.142 0.000 1.036 100 T CA 2.050 64.044 62.100 -0.177 0.000 1.148 100 T CB -0.200 68.590 68.868 -0.129 0.000 0.863 100 T HN 0.650 nan 8.240 nan 0.000 0.436 101 Q N 0.572 120.256 119.800 -0.193 0.000 2.084 101 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 101 Q C 2.716 178.658 176.000 -0.097 0.000 0.978 101 Q CA 1.445 57.160 55.803 -0.147 0.000 0.844 101 Q CB -0.216 28.395 28.738 -0.212 0.000 0.898 101 Q HN 0.375 nan 8.270 nan 0.000 0.426 102 S N 0.801 116.435 115.700 -0.110 0.000 2.406 102 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 102 S C 1.606 176.255 174.600 0.082 0.000 1.020 102 S CA 1.058 59.265 58.200 0.011 0.000 0.965 102 S CB -0.222 63.012 63.200 0.057 0.000 0.798 102 S HN 0.354 nan 8.310 nan 0.000 0.488 103 N N 1.660 120.393 118.700 0.055 0.000 2.084 103 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 103 N C 1.670 177.223 175.510 0.072 0.000 1.030 103 N CA 1.411 54.513 53.050 0.087 0.000 0.849 103 N CB -0.254 38.272 38.487 0.065 0.000 1.012 103 N HN 0.126 nan 8.380 nan 0.000 0.423 104 M N 0.643 120.266 119.600 0.038 0.000 2.213 104 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 104 M C 1.765 178.105 176.300 0.066 0.000 1.062 104 M CA 0.952 56.276 55.300 0.041 0.000 1.105 104 M CB -1.629 30.980 32.600 0.014 0.000 1.385 104 M HN 0.316 nan 8.290 nan 0.000 0.417 105 N N 0.646 119.391 118.700 0.074 0.000 2.120 105 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 105 N C 1.567 177.207 175.510 0.218 0.000 1.024 105 N CA 1.470 54.586 53.050 0.110 0.000 0.852 105 N CB -0.195 38.374 38.487 0.137 0.000 1.003 105 N HN 0.187 nan 8.380 nan 0.000 0.424 106 M N 0.879 120.645 119.600 0.277 0.000 2.132 106 M HA 0.002 4.482 4.480 -0.000 0.000 0.263 106 M C 1.363 177.772 176.300 0.181 0.000 1.065 106 M CA 1.321 56.812 55.300 0.318 0.000 1.122 106 M CB -0.655 32.070 32.600 0.208 0.000 1.365 106 M HN 0.084 nan 8.290 nan 0.000 0.411 107 N N 0.485 119.259 118.700 0.123 0.000 2.084 107 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 107 N C 1.664 177.221 175.510 0.077 0.000 1.030 107 N CA 1.842 54.944 53.050 0.086 0.000 0.849 107 N CB -0.410 38.118 38.487 0.069 0.000 1.012 107 N HN 0.575 nan 8.380 nan 0.000 0.423 108 E N 0.280 120.529 120.200 0.082 0.000 2.047 108 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 108 E C 2.049 178.677 176.600 0.047 0.000 0.987 108 E CA 0.798 57.241 56.400 0.072 0.000 0.799 108 E CB -0.004 29.754 29.700 0.097 0.000 0.752 108 E HN 0.038 nan 8.360 nan 0.000 0.449 109 V N 1.680 121.621 119.914 0.046 0.000 2.295 109 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 109 V C 2.325 178.399 176.094 -0.033 0.000 1.049 109 V CA 1.549 63.831 62.300 -0.031 0.000 1.024 109 V CB -0.447 31.317 31.823 -0.098 0.000 0.648 109 V HN 0.281 nan 8.190 nan 0.000 0.447 110 L N -0.187 121.056 121.223 0.033 0.000 2.093 110 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 110 L C 2.698 179.568 176.870 -0.000 0.000 1.085 110 L CA 1.414 56.269 54.840 0.024 0.000 0.755 110 L CB -0.824 41.270 42.059 0.059 0.000 0.904 110 L HN 0.377 nan 8.230 nan 0.000 0.435 111 A N 0.339 123.163 122.820 0.007 0.000 1.855 111 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 111 A C 2.078 179.647 177.584 -0.026 0.000 1.191 111 A CA 1.684 53.717 52.037 -0.007 0.000 0.613 111 A CB -0.531 18.481 19.000 0.019 0.000 0.829 111 A HN 0.380 nan 8.150 nan 0.000 0.442 112 N N -0.545 118.139 118.700 -0.027 0.000 2.120 112 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 112 N C 1.886 177.360 175.510 -0.061 0.000 1.024 112 N CA 1.574 54.597 53.050 -0.045 0.000 0.852 112 N CB -0.377 38.074 38.487 -0.059 0.000 1.003 112 N HN 0.438 nan 8.380 nan 0.000 0.424 113 R N 1.199 121.653 120.500 -0.077 0.000 2.073 113 R HA 0.152 4.492 4.340 -0.000 0.000 0.229 113 R C 1.893 178.169 176.300 -0.039 0.000 1.120 113 R CA 1.424 57.477 56.100 -0.079 0.000 0.967 113 R CB -0.888 29.331 30.300 -0.136 0.000 0.862 113 R HN 0.147 nan 8.270 nan 0.000 0.436 114 A N -0.569 122.232 122.820 -0.033 0.000 1.972 114 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 114 A C 2.263 179.826 177.584 -0.035 0.000 1.169 114 A CA 1.842 53.864 52.037 -0.025 0.000 0.635 114 A CB -0.932 18.053 19.000 -0.026 0.000 0.810 114 A HN 0.457 nan 8.150 nan 0.000 0.446 115 S N -0.395 115.278 115.700 -0.045 0.000 2.348 115 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 115 S C 1.913 176.493 174.600 -0.034 0.000 1.033 115 S CA 1.715 59.886 58.200 -0.048 0.000 1.010 115 S CB -0.377 62.794 63.200 -0.048 0.000 0.891 115 S HN 0.676 nan 8.310 nan 0.000 0.442 116 E N 0.266 120.448 120.200 -0.030 0.000 2.085 116 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 116 E C 2.015 178.606 176.600 -0.014 0.000 0.994 116 E CA 1.177 57.563 56.400 -0.022 0.000 0.801 116 E CB -0.265 29.422 29.700 -0.022 0.000 0.743 116 E HN 0.329 nan 8.360 nan 0.000 0.453 117 L N 0.387 121.604 121.223 -0.011 0.000 2.187 117 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 117 L C 1.875 178.740 176.870 -0.009 0.000 1.100 117 L CA 1.417 56.255 54.840 -0.004 0.000 0.765 117 L CB -0.315 41.744 42.059 0.001 0.000 0.904 117 L HN 0.154 nan 8.230 nan 0.000 0.437 118 L N -1.125 120.088 121.223 -0.017 0.000 2.728 118 L HA 0.247 4.587 4.340 -0.000 0.000 0.235 118 L C 1.396 178.256 176.870 -0.016 0.000 1.197 118 L CA 0.422 55.250 54.840 -0.019 0.000 0.992 118 L CB -0.623 41.419 42.059 -0.028 0.000 1.263 118 L HN 0.458 nan 8.230 nan 0.000 0.484 119 G N -0.191 108.601 108.800 -0.013 0.000 2.162 119 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 119 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 119 G C 0.594 175.486 174.900 -0.013 0.000 0.976 119 G CA 0.067 45.160 45.100 -0.011 0.000 0.655 119 G HN 0.532 nan 8.290 nan 0.000 0.533 120 G N -1.560 107.229 108.800 -0.018 0.000 2.510 120 G HA2 0.689 4.649 3.960 -0.000 0.000 0.280 120 G HA3 0.689 4.649 3.960 -0.000 0.000 0.280 120 G C -0.125 174.763 174.900 -0.019 0.000 1.386 120 G CA 0.225 45.314 45.100 -0.019 0.000 1.047 120 G HN 1.192 nan 8.290 nan 0.000 0.527 121 V N -0.761 119.141 119.914 -0.019 0.000 3.046 121 V HA 0.700 4.820 4.120 -0.000 0.000 0.316 121 V C 0.069 176.147 176.094 -0.026 0.000 1.104 121 V CA -1.094 61.193 62.300 -0.022 0.000 1.006 121 V CB 2.026 33.838 31.823 -0.018 0.000 1.058 121 V HN 1.030 nan 8.190 nan 0.000 0.440 122 R N 2.865 123.344 120.500 -0.036 0.000 2.528 122 R HA 0.836 5.176 4.340 -0.000 0.000 0.271 122 R C 0.249 176.529 176.300 -0.033 0.000 1.056 122 R CA 0.486 56.561 56.100 -0.042 0.000 1.117 122 R CB 0.948 31.208 30.300 -0.067 0.000 1.085 122 R HN 1.704 nan 8.270 nan 0.000 0.530 123 G N 0.742 109.527 108.800 -0.025 0.000 2.483 123 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.521 123 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.521 123 G C 0.223 175.128 174.900 0.009 0.000 1.278 123 G CA -0.252 44.839 45.100 -0.015 0.000 0.965 123 G HN 0.461 nan 8.290 nan 0.000 0.504 124 M N 1.024 120.630 119.600 0.011 0.000 2.539 124 M HA 0.058 4.538 4.480 -0.000 0.000 0.261 124 M C 1.905 178.225 176.300 0.034 0.000 1.069 124 M CA 1.977 57.290 55.300 0.022 0.000 1.081 124 M CB -1.320 31.287 32.600 0.012 0.000 1.412 124 M HN 0.759 nan 8.290 nan 0.000 0.482 125 E N 0.903 121.120 120.200 0.028 0.000 2.609 125 E HA 0.175 4.525 4.350 -0.000 0.000 0.208 125 E C -0.102 176.522 176.600 0.039 0.000 1.013 125 E CA -0.422 55.999 56.400 0.035 0.000 1.093 125 E CB -0.000 29.710 29.700 0.018 0.000 1.129 125 E HN 0.446 nan 8.360 nan 0.000 0.450 126 R N 0.802 121.333 120.500 0.050 0.000 2.641 126 R HA 0.215 4.555 4.340 -0.000 0.000 0.269 126 R C 0.329 176.630 176.300 0.002 0.000 1.074 126 R CA -0.466 55.647 56.100 0.022 0.000 1.133 126 R CB 0.957 31.269 30.300 0.020 0.000 1.029 126 R HN -0.061 nan 8.270 nan 0.000 0.488 127 K N 0.766 121.124 120.400 -0.071 0.000 2.186 127 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 127 K C 0.220 176.602 176.600 -0.363 0.000 1.052 127 K CA 0.649 56.853 56.287 -0.138 0.000 0.965 127 K CB 0.324 32.771 32.500 -0.087 0.000 0.746 127 K HN 0.331 nan 8.250 nan 0.000 0.457 128 V N 2.817 122.543 119.914 -0.313 0.000 2.472 128 V HA 0.133 4.253 4.120 -0.000 0.000 0.290 128 V C -0.380 175.498 176.094 -0.360 0.000 1.037 128 V CA -0.891 61.194 62.300 -0.359 0.000 0.908 128 V CB 1.259 32.992 31.823 -0.151 0.000 0.985 128 V HN 0.218 nan 8.190 nan 0.000 0.454 129 H N 4.872 123.944 119.070 0.004 0.000 2.467 129 H HA 0.321 4.877 4.556 -0.000 0.000 0.326 129 H C -1.951 173.384 175.328 0.010 0.000 1.094 129 H CA -2.404 53.648 56.048 0.006 0.000 1.253 129 H CB 1.738 31.503 29.762 0.004 0.000 1.439 129 H HN 0.322 nan 8.280 nan 0.000 0.479 130 P HA -0.185 nan 4.420 nan 0.000 0.214 130 P C 1.339 178.682 177.300 0.072 0.000 1.163 130 P CA 1.408 64.557 63.100 0.082 0.000 0.889 130 P CB 0.612 32.356 31.700 0.074 0.000 0.790 131 N N -1.226 117.518 118.700 0.073 0.000 2.176 131 N HA -0.090 4.650 4.740 -0.000 0.000 0.187 131 N C 1.329 176.869 175.510 0.052 0.000 1.043 131 N CA 1.177 54.257 53.050 0.050 0.000 0.851 131 N CB -0.546 37.960 38.487 0.031 0.000 1.018 131 N HN 0.001 nan 8.380 nan 0.000 0.436 132 D N 0.986 121.430 120.400 0.072 0.000 2.149 132 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 132 D C 1.059 177.401 176.300 0.071 0.000 0.990 132 D CA 1.230 55.273 54.000 0.072 0.000 0.839 132 D CB -0.113 40.745 40.800 0.097 0.000 0.948 132 D HN 0.321 nan 8.370 nan 0.000 0.460 133 D N -0.759 119.691 120.400 0.082 0.000 2.652 133 D HA 0.031 4.671 4.640 -0.000 0.000 0.261 133 D C 2.281 178.598 176.300 0.028 0.000 1.024 133 D CA 0.239 54.263 54.000 0.040 0.000 0.958 133 D CB -0.090 40.711 40.800 0.002 0.000 1.113 133 D HN 0.008 nan 8.370 nan 0.000 0.471 134 V N 1.304 121.238 119.914 0.035 0.000 2.667 134 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 134 V C 1.486 177.604 176.094 0.039 0.000 1.065 134 V CA 1.276 63.597 62.300 0.035 0.000 1.083 134 V CB -0.496 31.351 31.823 0.041 0.000 0.692 134 V HN 0.070 nan 8.190 nan 0.000 0.468 135 N N 0.018 118.740 118.700 0.037 0.000 2.251 135 N HA 0.084 4.824 4.740 -0.000 0.000 0.217 135 N C 0.454 175.971 175.510 0.011 0.000 1.124 135 N CA -0.067 53.001 53.050 0.030 0.000 0.843 135 N CB -0.020 38.485 38.487 0.031 0.000 1.024 135 N HN 0.368 nan 8.380 nan 0.000 0.501 136 K N 0.185 120.588 120.400 0.006 0.000 2.451 136 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 136 K C 0.103 176.655 176.600 -0.080 0.000 1.020 136 K CA 0.540 56.811 56.287 -0.025 0.000 1.008 136 K CB 0.234 32.725 32.500 -0.014 0.000 0.917 136 K HN 0.188 nan 8.250 nan 0.000 0.478 137 S N 1.044 116.657 115.700 -0.146 0.000 3.228 137 S HA -0.197 4.273 4.470 -0.000 0.000 0.282 137 S C -0.551 173.895 174.600 -0.256 0.000 1.286 137 S CA 1.238 59.245 58.200 -0.321 0.000 1.066 137 S CB -1.161 61.642 63.200 -0.662 0.000 1.277 137 S HN 0.804 nan 8.310 nan 0.000 0.661 138 Q N -0.176 119.570 119.800 -0.090 0.000 2.495 138 Q HA 0.825 5.165 4.340 -0.000 0.000 0.283 138 Q C -0.427 175.569 176.000 -0.006 0.000 1.097 138 Q CA -0.581 55.215 55.803 -0.012 0.000 0.836 138 Q CB 2.148 30.908 28.738 0.038 0.000 1.426 138 Q HN 0.199 nan 8.270 nan 0.000 0.459 139 S N -1.243 114.466 115.700 0.014 0.000 2.556 139 S HA 0.296 4.766 4.470 -0.000 0.000 0.271 139 S C -0.106 174.509 174.600 0.025 0.000 1.135 139 S CA -0.533 57.674 58.200 0.011 0.000 0.858 139 S CB 1.718 64.921 63.200 0.005 0.000 1.114 139 S HN 0.550 nan 8.310 nan 0.000 0.468 140 S N 2.727 118.438 115.700 0.019 0.000 2.399 140 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 140 S C 1.630 176.255 174.600 0.043 0.000 1.022 140 S CA 1.389 59.606 58.200 0.028 0.000 0.983 140 S CB -0.520 62.671 63.200 -0.016 0.000 0.803 140 S HN 0.754 nan 8.310 nan 0.000 0.480 141 N N 2.160 120.874 118.700 0.023 0.000 2.149 141 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 141 N C 1.280 176.807 175.510 0.027 0.000 1.019 141 N CA 1.604 54.669 53.050 0.025 0.000 0.857 141 N CB -0.364 38.132 38.487 0.016 0.000 0.997 141 N HN 0.661 nan 8.380 nan 0.000 0.426 142 D N -0.673 119.739 120.400 0.020 0.000 2.392 142 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 142 D C 1.702 178.003 176.300 0.001 0.000 1.046 142 D CA 0.063 54.063 54.000 -0.001 0.000 0.865 142 D CB -0.406 40.393 40.800 -0.003 0.000 0.969 142 D HN -0.001 nan 8.370 nan 0.000 0.509 143 V N 0.420 120.355 119.914 0.035 0.000 2.283 143 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 143 V C 2.261 178.370 176.094 0.026 0.000 1.039 143 V CA 1.266 63.584 62.300 0.030 0.000 1.016 143 V CB -0.779 31.079 31.823 0.059 0.000 0.650 143 V HN 0.034 nan 8.190 nan 0.000 0.449 144 F N 1.435 121.345 119.950 -0.065 0.000 2.095 144 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 144 F C -0.102 175.640 175.800 -0.097 0.000 1.104 144 F CA 1.943 59.898 58.000 -0.074 0.000 1.232 144 F CB -1.434 37.525 39.000 -0.068 0.000 0.987 144 F HN 0.244 nan 8.300 nan 0.000 0.475 145 P HA -0.114 nan 4.420 nan 0.000 0.217 145 P C 1.660 178.763 177.300 -0.327 0.000 1.150 145 P CA 2.157 65.144 63.100 -0.189 0.000 0.832 145 P CB -0.166 31.439 31.700 -0.158 0.000 0.787 146 T N -0.579 113.829 114.554 -0.243 0.000 2.737 146 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 146 T C 1.899 176.459 174.700 -0.234 0.000 1.038 146 T CA 1.643 63.602 62.100 -0.235 0.000 1.144 146 T CB -0.957 67.804 68.868 -0.179 0.000 0.866 146 T HN 0.024 nan 8.240 nan 0.000 0.434 147 A N 1.274 123.937 122.820 -0.262 0.000 1.933 147 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 147 A C 2.329 179.742 177.584 -0.284 0.000 1.175 147 A CA 1.546 53.414 52.037 -0.281 0.000 0.628 147 A CB -0.711 18.081 19.000 -0.346 0.000 0.814 147 A HN 0.462 nan 8.150 nan 0.000 0.444 148 M N -1.610 117.776 119.600 -0.355 0.000 2.080 148 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 148 M C 2.203 178.491 176.300 -0.019 0.000 1.068 148 M CA 1.727 56.886 55.300 -0.235 0.000 1.109 148 M CB -0.525 31.942 32.600 -0.221 0.000 1.342 148 M HN 0.491 nan 8.290 nan 0.000 0.405 149 H N -0.549 118.417 119.070 -0.173 0.000 2.389 149 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 149 H C 2.190 177.550 175.328 0.053 0.000 1.081 149 H CA 1.296 57.299 56.048 -0.076 0.000 1.345 149 H CB -0.704 29.042 29.762 -0.026 0.000 1.393 149 H HN 0.127 nan 8.280 nan 0.000 0.520 150 V N 0.748 120.709 119.914 0.077 0.000 2.261 150 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 150 V C 2.646 178.828 176.094 0.146 0.000 1.047 150 V CA 1.802 64.142 62.300 0.067 0.000 1.015 150 V CB -1.128 30.574 31.823 -0.201 0.000 0.642 150 V HN 0.541 nan 8.190 nan 0.000 0.446 151 A N -0.063 122.778 122.820 0.035 0.000 1.883 151 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 151 A C 2.435 180.067 177.584 0.080 0.000 1.186 151 A CA 2.334 54.392 52.037 0.036 0.000 0.624 151 A CB -0.918 18.067 19.000 -0.024 0.000 0.822 151 A HN 0.588 nan 8.150 nan 0.000 0.444 152 A N -0.625 122.231 122.820 0.061 0.000 1.865 152 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 152 A C 2.168 179.819 177.584 0.112 0.000 1.191 152 A CA 1.846 53.940 52.037 0.094 0.000 0.623 152 A CB -0.725 18.148 19.000 -0.212 0.000 0.826 152 A HN 0.648 nan 8.150 nan 0.000 0.444 153 L N -0.149 121.121 121.223 0.078 0.000 2.017 153 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 153 L C 2.373 179.263 176.870 0.033 0.000 1.073 153 L CA 1.675 56.534 54.840 0.031 0.000 0.745 153 L CB -0.500 41.537 42.059 -0.037 0.000 0.894 153 L HN 0.429 nan 8.230 nan 0.000 0.432 154 L N -0.944 120.336 121.223 0.094 0.000 2.046 154 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 154 L C 2.658 179.558 176.870 0.050 0.000 1.077 154 L CA 1.174 56.056 54.840 0.071 0.000 0.747 154 L CB -1.036 41.090 42.059 0.111 0.000 0.896 154 L HN 0.359 nan 8.230 nan 0.000 0.432 155 A N 0.232 123.092 122.820 0.066 0.000 1.902 155 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 155 A C 2.273 179.878 177.584 0.036 0.000 1.181 155 A CA 1.432 53.500 52.037 0.052 0.000 0.623 155 A CB -0.653 18.391 19.000 0.073 0.000 0.818 155 A HN 0.343 nan 8.150 nan 0.000 0.443 156 L N -1.365 119.890 121.223 0.054 0.000 2.027 156 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 156 L C 2.911 179.780 176.870 -0.002 0.000 1.074 156 L CA 1.542 56.399 54.840 0.028 0.000 0.745 156 L CB -0.396 41.695 42.059 0.054 0.000 0.898 156 L HN 0.327 nan 8.230 nan 0.000 0.433 157 R N -0.131 120.364 120.500 -0.009 0.000 2.073 157 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 157 R C 2.207 178.496 176.300 -0.018 0.000 1.120 157 R CA 1.127 57.211 56.100 -0.026 0.000 0.967 157 R CB -0.012 30.259 30.300 -0.047 0.000 0.862 157 R HN 0.300 nan 8.270 nan 0.000 0.436 158 K N -0.548 119.849 120.400 -0.005 0.000 2.284 158 K HA 0.003 4.323 4.320 -0.000 0.000 0.198 158 K C 1.805 178.404 176.600 -0.003 0.000 1.048 158 K CA 0.766 57.053 56.287 -0.001 0.000 0.987 158 K CB 0.358 32.864 32.500 0.010 0.000 0.800 158 K HN 0.032 nan 8.250 nan 0.000 0.486 159 Q N 0.190 119.988 119.800 -0.003 0.000 2.389 159 Q HA 0.109 4.449 4.340 -0.000 0.000 0.198 159 Q C 1.871 177.861 176.000 -0.017 0.000 0.967 159 Q CA 0.134 55.932 55.803 -0.008 0.000 0.863 159 Q CB -0.088 28.645 28.738 -0.007 0.000 0.987 159 Q HN 0.017 nan 8.270 nan 0.000 0.557 160 L N 1.046 122.255 121.223 -0.023 0.000 1.955 160 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 160 L C 2.078 178.929 176.870 -0.031 0.000 1.072 160 L CA 1.958 56.778 54.840 -0.034 0.000 0.755 160 L CB -0.833 41.198 42.059 -0.046 0.000 0.888 160 L HN 0.372 nan 8.230 nan 0.000 0.432 161 I N 0.197 120.749 120.570 -0.030 0.000 2.151 161 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 161 I C -0.317 175.784 176.117 -0.027 0.000 1.080 161 I CA 1.442 62.722 61.300 -0.032 0.000 1.339 161 I CB -1.543 36.435 38.000 -0.037 0.000 1.039 161 I HN 0.261 nan 8.210 nan 0.000 0.409 162 P HA -0.170 nan 4.420 nan 0.000 0.215 162 P C 1.506 178.797 177.300 -0.016 0.000 1.153 162 P CA 1.208 64.297 63.100 -0.019 0.000 0.853 162 P CB -0.023 31.667 31.700 -0.016 0.000 0.788 163 Q N -0.975 118.816 119.800 -0.015 0.000 2.119 163 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 163 Q C 2.122 178.120 176.000 -0.003 0.000 0.972 163 Q CA 1.030 56.827 55.803 -0.009 0.000 0.847 163 Q CB -1.359 27.373 28.738 -0.010 0.000 0.903 163 Q HN 0.240 nan 8.270 nan 0.000 0.433 164 L N 1.327 122.544 121.223 -0.011 0.000 2.017 164 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 164 L C 1.943 178.813 176.870 -0.000 0.000 1.073 164 L CA 1.873 56.709 54.840 -0.007 0.000 0.745 164 L CB -0.403 41.645 42.059 -0.020 0.000 0.894 164 L HN 0.017 nan 8.230 nan 0.000 0.432 165 K N -1.205 119.189 120.400 -0.010 0.000 2.057 165 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 165 K C 1.882 178.480 176.600 -0.003 0.000 1.049 165 K CA 1.879 58.159 56.287 -0.011 0.000 0.931 165 K CB -0.431 32.057 32.500 -0.020 0.000 0.714 165 K HN 0.409 nan 8.250 nan 0.000 0.440 166 T N 2.036 116.589 114.554 -0.003 0.000 2.708 166 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 166 T C 1.743 176.451 174.700 0.012 0.000 1.037 166 T CA 1.127 63.226 62.100 -0.001 0.000 1.146 166 T CB -0.242 68.622 68.868 -0.007 0.000 0.865 166 T HN 0.087 nan 8.240 nan 0.000 0.435 167 L N 1.176 122.417 121.223 0.030 0.000 2.046 167 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 167 L C 2.449 179.362 176.870 0.071 0.000 1.077 167 L CA 1.838 56.716 54.840 0.063 0.000 0.747 167 L CB -1.266 40.850 42.059 0.096 0.000 0.896 167 L HN 0.195 nan 8.230 nan 0.000 0.432 168 T N -0.833 113.753 114.554 0.054 0.000 2.746 168 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 168 T C 1.754 176.477 174.700 0.039 0.000 1.039 168 T CA 1.689 63.822 62.100 0.055 0.000 1.142 168 T CB -0.225 68.662 68.868 0.032 0.000 0.866 168 T HN 0.497 nan 8.240 nan 0.000 0.444 169 Q N 0.364 120.175 119.800 0.018 0.000 2.050 169 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 169 Q C 2.294 178.295 176.000 0.002 0.000 0.980 169 Q CA 1.692 57.496 55.803 0.002 0.000 0.840 169 Q CB -0.291 28.443 28.738 -0.008 0.000 0.898 169 Q HN 0.461 nan 8.270 nan 0.000 0.424 170 T N 1.482 116.043 114.554 0.011 0.000 2.708 170 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 170 T C 1.719 176.432 174.700 0.022 0.000 1.037 170 T CA 1.002 63.105 62.100 0.006 0.000 1.146 170 T CB -0.147 68.725 68.868 0.007 0.000 0.865 170 T HN 0.136 nan 8.240 nan 0.000 0.435 171 L N 1.968 123.235 121.223 0.074 0.000 2.093 171 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 171 L C 2.287 179.185 176.870 0.046 0.000 1.085 171 L CA 1.336 56.250 54.840 0.125 0.000 0.755 171 L CB -1.301 40.898 42.059 0.234 0.000 0.904 171 L HN 0.358 nan 8.230 nan 0.000 0.435 172 N N -0.199 118.513 118.700 0.021 0.000 2.166 172 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 172 N C 1.628 177.099 175.510 -0.064 0.000 1.019 172 N CA 1.186 54.226 53.050 -0.017 0.000 0.856 172 N CB 0.246 38.726 38.487 -0.012 0.000 0.993 172 N HN 0.485 nan 8.380 nan 0.000 0.426 173 E N 0.378 120.535 120.200 -0.072 0.000 2.077 173 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 173 E C 1.955 178.423 176.600 -0.221 0.000 0.989 173 E CA 0.874 57.205 56.400 -0.116 0.000 0.800 173 E CB 0.135 29.779 29.700 -0.093 0.000 0.746 173 E HN 0.208 nan 8.360 nan 0.000 0.452 174 K N 0.493 120.750 120.400 -0.238 0.000 2.097 174 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 174 K C 2.311 178.596 176.600 -0.526 0.000 1.049 174 K CA 0.794 56.792 56.287 -0.482 0.000 0.933 174 K CB -0.562 31.830 32.500 -0.180 0.000 0.717 174 K HN -0.002 nan 8.250 nan 0.000 0.442 175 S N 1.034 116.596 115.700 -0.229 0.000 2.359 175 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 175 S C 2.018 176.525 174.600 -0.153 0.000 1.035 175 S CA 1.164 59.274 58.200 -0.150 0.000 1.018 175 S CB 0.049 63.193 63.200 -0.093 0.000 0.876 175 S HN 0.282 nan 8.310 nan 0.000 0.448 176 R N 0.717 121.121 120.500 -0.160 0.000 2.081 176 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 176 R C 2.696 178.907 176.300 -0.149 0.000 1.131 176 R CA 1.266 57.292 56.100 -0.122 0.000 0.960 176 R CB -0.678 29.561 30.300 -0.101 0.000 0.856 176 R HN 0.504 nan 8.270 nan 0.000 0.436 177 A N 0.929 123.574 122.820 -0.291 0.000 1.940 177 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 177 A C 1.144 178.659 177.584 -0.116 0.000 1.176 177 A CA 1.262 53.109 52.037 -0.318 0.000 0.631 177 A CB -0.293 18.345 19.000 -0.603 0.000 0.814 177 A HN 0.236 nan 8.150 nan 0.000 0.446 178 F N -0.718 119.220 119.950 -0.021 0.000 2.668 178 F HA 0.495 5.022 4.527 -0.000 0.000 0.297 178 F C 1.981 177.761 175.800 -0.033 0.000 1.124 178 F CA -0.845 57.141 58.000 -0.025 0.000 1.353 178 F CB -1.063 37.919 39.000 -0.031 0.000 0.992 178 F HN 0.218 nan 8.300 nan 0.000 0.524 179 A N 0.631 123.505 122.820 0.091 0.000 1.978 179 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 179 A C 2.058 179.669 177.584 0.045 0.000 1.170 179 A CA 2.130 54.191 52.037 0.041 0.000 0.636 179 A CB -0.543 18.460 19.000 0.006 0.000 0.810 179 A HN 0.435 nan 8.150 nan 0.000 0.448 180 D N -0.686 119.750 120.400 0.060 0.000 2.349 180 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 180 D C 0.372 176.698 176.300 0.042 0.000 1.063 180 D CA -0.121 53.905 54.000 0.044 0.000 0.847 180 D CB -0.305 40.519 40.800 0.040 0.000 0.933 180 D HN 0.459 nan 8.370 nan 0.000 0.513 181 I N 2.157 122.761 120.570 0.056 0.000 2.329 181 I HA 0.065 4.235 4.170 -0.000 0.000 0.295 181 I C 0.004 176.128 176.117 0.010 0.000 1.109 181 I CA -0.594 60.722 61.300 0.025 0.000 1.297 181 I CB 1.324 39.324 38.000 0.001 0.000 1.433 181 I HN -0.275 nan 8.210 nan 0.000 0.509 182 V N 7.862 127.780 119.914 0.008 0.000 2.555 182 V HA 0.190 4.310 4.120 -0.000 0.000 0.286 182 V C 0.359 176.453 176.094 0.001 0.000 1.044 182 V CA -0.133 62.170 62.300 0.005 0.000 1.026 182 V CB 0.785 32.614 31.823 0.010 0.000 0.981 182 V HN 0.789 nan 8.190 nan 0.000 0.480 183 K N 3.969 124.369 120.400 -0.000 0.000 2.466 183 K HA 0.763 5.083 4.320 -0.000 0.000 0.260 183 K C -1.001 175.604 176.600 0.009 0.000 1.011 183 K CA -1.136 55.152 56.287 0.002 0.000 0.871 183 K CB 1.916 34.413 32.500 -0.005 0.000 1.404 183 K HN 0.324 nan 8.250 nan 0.000 0.450 184 I N 1.512 122.091 120.570 0.015 0.000 2.529 184 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 184 I C 0.258 176.385 176.117 0.017 0.000 1.082 184 I CA 0.527 61.838 61.300 0.019 0.000 1.406 184 I CB 0.982 38.997 38.000 0.024 0.000 1.405 184 I HN 0.764 nan 8.210 nan 0.000 0.548 185 G N 6.777 115.587 108.800 0.015 0.000 2.537 185 G HA2 0.539 4.499 3.960 -0.000 0.000 0.273 185 G HA3 0.539 4.499 3.960 -0.000 0.000 0.273 185 G C -0.668 174.243 174.900 0.018 0.000 1.189 185 G CA -0.677 44.432 45.100 0.015 0.000 0.881 185 G HN 0.640 nan 8.290 nan 0.000 0.535 186 R N -0.040 120.469 120.500 0.016 0.000 2.502 186 R HA 0.451 4.791 4.340 -0.000 0.000 0.298 186 R C -0.855 175.449 176.300 0.007 0.000 1.018 186 R CA -0.580 55.528 56.100 0.013 0.000 0.899 186 R CB 2.064 32.365 30.300 0.002 0.000 1.181 186 R HN 0.720 nan 8.270 nan 0.000 0.444 187 T N -0.990 113.585 114.554 0.036 0.000 2.841 187 T HA 0.295 4.645 4.350 -0.000 0.000 0.283 187 T C 0.386 175.164 174.700 0.130 0.000 1.000 187 T CA -0.731 61.386 62.100 0.028 0.000 0.977 187 T CB 1.016 69.940 68.868 0.093 0.000 0.979 187 T HN 0.842 nan 8.240 nan 0.000 0.446 188 H N 1.378 120.426 119.070 -0.038 0.000 3.047 188 H HA -0.154 4.402 4.556 -0.000 0.000 0.263 188 H C 0.397 175.687 175.328 -0.064 0.000 1.168 188 H CA 0.567 56.588 56.048 -0.045 0.000 1.152 188 H CB -1.119 28.623 29.762 -0.033 0.000 1.278 188 H HN 0.685 nan 8.280 nan 0.000 0.339 189 L N -2.300 118.927 121.223 0.007 0.000 5.044 189 L HA -0.238 4.101 4.340 -0.000 0.000 0.412 189 L C 0.706 177.567 176.870 -0.016 0.000 0.971 189 L CA 1.447 56.256 54.840 -0.053 0.000 1.411 189 L CB -1.066 40.932 42.059 -0.102 0.000 1.884 189 L HN 0.384 nan 8.230 nan 0.000 0.631 190 Q N 0.418 120.235 119.800 0.029 0.000 2.214 190 Q HA 0.364 4.704 4.340 -0.000 0.000 0.251 190 Q C -0.065 175.948 176.000 0.021 0.000 0.936 190 Q CA -0.692 55.123 55.803 0.020 0.000 0.894 190 Q CB 1.002 29.750 28.738 0.016 0.000 1.252 190 Q HN 0.118 nan 8.270 nan 0.000 0.448 191 D N 0.893 121.301 120.400 0.014 0.000 2.455 191 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 191 D C -0.384 175.927 176.300 0.019 0.000 1.138 191 D CA 0.395 54.405 54.000 0.017 0.000 0.877 191 D CB 0.692 41.501 40.800 0.016 0.000 1.187 191 D HN 0.550 nan 8.370 nan 0.000 0.451 192 A N 1.459 124.293 122.820 0.022 0.000 2.504 192 A HA 0.638 4.958 4.320 -0.000 0.000 0.285 192 A C -0.018 177.578 177.584 0.019 0.000 1.261 192 A CA -0.742 51.309 52.037 0.024 0.000 0.741 192 A CB 1.117 20.138 19.000 0.035 0.000 1.327 192 A HN 0.407 nan 8.150 nan 0.000 0.441 193 T N 1.338 115.903 114.554 0.018 0.000 2.946 193 T HA 0.387 4.737 4.350 -0.000 0.000 0.311 193 T C -2.217 172.491 174.700 0.012 0.000 1.063 193 T CA -0.478 61.630 62.100 0.015 0.000 1.139 193 T CB -0.266 68.609 68.868 0.013 0.000 0.994 193 T HN 0.338 nan 8.240 nan 0.000 0.547 194 P HA 0.435 nan 4.420 nan 0.000 0.270 194 P C -0.840 176.462 177.300 0.003 0.000 1.223 194 P CA -0.341 62.764 63.100 0.009 0.000 0.785 194 P CB 0.330 32.037 31.700 0.010 0.000 0.923 195 L N -2.593 118.630 121.223 -0.000 0.000 2.710 195 L HA 0.691 5.031 4.340 -0.000 0.000 0.260 195 L C -0.583 176.281 176.870 -0.010 0.000 0.993 195 L CA -1.011 53.824 54.840 -0.008 0.000 0.877 195 L CB 1.776 43.827 42.059 -0.014 0.000 1.461 195 L HN 0.365 nan 8.230 nan 0.000 0.413 196 T N -0.960 113.587 114.554 -0.012 0.000 2.882 196 T HA 0.301 4.651 4.350 -0.000 0.000 0.287 196 T C 0.833 175.520 174.700 -0.020 0.000 1.014 196 T CA -0.362 61.734 62.100 -0.006 0.000 1.049 196 T CB 1.462 70.334 68.868 0.006 0.000 1.001 196 T HN 0.716 nan 8.240 nan 0.000 0.525 197 L N 2.309 123.529 121.223 -0.005 0.000 2.141 197 L HA 0.206 4.546 4.340 -0.000 0.000 0.209 197 L C 2.493 179.352 176.870 -0.019 0.000 1.094 197 L CA 2.290 57.119 54.840 -0.019 0.000 0.763 197 L CB -1.381 40.672 42.059 -0.010 0.000 0.908 197 L HN 0.988 nan 8.230 nan 0.000 0.437 198 G N -1.438 107.385 108.800 0.039 0.000 2.422 198 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 198 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 198 G C 1.463 176.316 174.900 -0.079 0.000 1.146 198 G CA 0.738 45.838 45.100 -0.001 0.000 0.769 198 G HN 0.529 nan 8.290 nan 0.000 0.547 199 Q N -0.361 119.396 119.800 -0.072 0.000 2.083 199 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 199 Q C 2.401 178.310 176.000 -0.151 0.000 0.969 199 Q CA 1.165 56.917 55.803 -0.084 0.000 0.838 199 Q CB -0.121 28.585 28.738 -0.052 0.000 0.900 199 Q HN 0.651 nan 8.270 nan 0.000 0.436 200 E N 0.827 120.911 120.200 -0.195 0.000 2.077 200 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 200 E C 1.840 178.034 176.600 -0.676 0.000 0.989 200 E CA 0.928 57.138 56.400 -0.316 0.000 0.800 200 E CB 0.004 29.547 29.700 -0.260 0.000 0.746 200 E HN 0.336 nan 8.360 nan 0.000 0.452 201 I N 0.926 121.078 120.570 -0.697 0.000 2.439 201 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 201 I C 2.598 178.480 176.117 -0.392 0.000 1.139 201 I CA 1.020 61.790 61.300 -0.883 0.000 1.438 201 I CB -0.325 37.395 38.000 -0.466 0.000 1.085 201 I HN 0.185 nan 8.210 nan 0.000 0.427 202 S N 1.058 116.623 115.700 -0.225 0.000 2.419 202 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 202 S C 2.120 176.697 174.600 -0.039 0.000 1.019 202 S CA 1.171 59.318 58.200 -0.088 0.000 0.982 202 S CB -1.048 62.114 63.200 -0.063 0.000 0.789 202 S HN 0.485 nan 8.310 nan 0.000 0.490 203 G N 0.585 109.327 108.800 -0.097 0.000 2.402 203 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 203 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 203 G C 1.147 176.153 174.900 0.176 0.000 1.162 203 G CA 0.757 45.867 45.100 0.017 0.000 0.777 203 G HN 0.579 nan 8.290 nan 0.000 0.539 204 W N 0.721 122.055 121.300 0.056 0.000 2.388 204 W HA 0.026 4.686 4.660 -0.000 0.000 0.294 204 W C 2.510 179.064 176.519 0.059 0.000 1.212 204 W CA 0.305 57.686 57.345 0.059 0.000 1.271 204 W CB -1.318 28.187 29.460 0.076 0.000 1.126 204 W HN 0.057 nan 8.180 nan 0.000 0.535 205 V N 1.109 121.175 119.914 0.254 0.000 2.295 205 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 205 V C 2.579 178.753 176.094 0.133 0.000 1.049 205 V CA 2.443 64.837 62.300 0.157 0.000 1.024 205 V CB -1.631 30.243 31.823 0.085 0.000 0.648 205 V HN 0.131 nan 8.190 nan 0.000 0.447 206 A N -0.663 122.241 122.820 0.140 0.000 1.933 206 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 206 A C 2.227 179.986 177.584 0.292 0.000 1.175 206 A CA 2.227 54.377 52.037 0.188 0.000 0.628 206 A CB -0.498 18.618 19.000 0.193 0.000 0.814 206 A HN 0.518 nan 8.150 nan 0.000 0.444 207 M N -0.600 119.135 119.600 0.224 0.000 2.086 207 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 207 M C 2.063 178.467 176.300 0.174 0.000 1.067 207 M CA 1.469 56.885 55.300 0.193 0.000 1.116 207 M CB -0.495 32.196 32.600 0.152 0.000 1.348 207 M HN 0.354 nan 8.290 nan 0.000 0.407 208 L N -0.387 120.919 121.223 0.137 0.000 2.083 208 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 208 L C 2.248 179.155 176.870 0.061 0.000 1.083 208 L CA 1.307 56.200 54.840 0.087 0.000 0.752 208 L CB -0.760 41.347 42.059 0.080 0.000 0.899 208 L HN 0.376 nan 8.230 nan 0.000 0.433 209 E N -0.685 119.546 120.200 0.052 0.000 2.072 209 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 209 E C 2.065 178.617 176.600 -0.080 0.000 0.985 209 E CA 1.195 57.573 56.400 -0.037 0.000 0.801 209 E CB -0.100 29.551 29.700 -0.081 0.000 0.750 209 E HN 0.564 nan 8.360 nan 0.000 0.452 210 H N 0.317 119.391 119.070 0.008 0.000 2.389 210 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 210 H C 1.964 177.323 175.328 0.052 0.000 1.081 210 H CA 1.150 57.201 56.048 0.006 0.000 1.345 210 H CB 0.126 29.940 29.762 0.087 0.000 1.393 210 H HN 0.070 nan 8.280 nan 0.000 0.520 211 N N 0.375 119.202 118.700 0.212 0.000 2.166 211 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 211 N C 1.938 177.482 175.510 0.056 0.000 1.019 211 N CA 0.724 53.876 53.050 0.169 0.000 0.856 211 N CB -0.209 38.329 38.487 0.085 0.000 0.993 211 N HN 0.224 nan 8.380 nan 0.000 0.426 212 L N 2.001 123.214 121.223 -0.018 0.000 2.012 212 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 212 L C 1.886 178.646 176.870 -0.182 0.000 1.073 212 L CA 1.851 56.641 54.840 -0.083 0.000 0.748 212 L CB -0.522 41.485 42.059 -0.088 0.000 0.891 212 L HN -0.077 nan 8.230 nan 0.000 0.431 213 K N -1.329 118.901 120.400 -0.283 0.000 2.057 213 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 213 K C 2.176 178.298 176.600 -0.797 0.000 1.049 213 K CA 1.447 57.379 56.287 -0.592 0.000 0.931 213 K CB -0.385 31.765 32.500 -0.582 0.000 0.714 213 K HN 0.441 nan 8.250 nan 0.000 0.440 214 H N 0.349 119.256 119.070 -0.270 0.000 2.353 214 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 214 H C 2.173 177.464 175.328 -0.063 0.000 1.090 214 H CA 1.515 57.528 56.048 -0.057 0.000 1.327 214 H CB -0.203 29.590 29.762 0.050 0.000 1.383 214 H HN 0.158 nan 8.280 nan 0.000 0.508 215 I N 0.865 121.449 120.570 0.024 0.000 2.226 215 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 215 I C 2.344 178.440 176.117 -0.035 0.000 1.100 215 I CA 1.163 62.465 61.300 0.004 0.000 1.374 215 I CB -0.215 37.772 38.000 -0.022 0.000 1.057 215 I HN 0.237 nan 8.210 nan 0.000 0.413 216 E N 0.059 120.170 120.200 -0.149 0.000 2.110 216 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 216 E C 2.081 178.655 176.600 -0.044 0.000 0.988 216 E CA 1.305 57.616 56.400 -0.148 0.000 0.804 216 E CB -0.126 29.425 29.700 -0.249 0.000 0.745 216 E HN 0.485 nan 8.360 nan 0.000 0.458 217 Y N 0.536 120.849 120.300 0.021 0.000 2.421 217 Y HA -0.131 4.419 4.550 -0.000 0.000 0.292 217 Y C 2.651 178.581 175.900 0.050 0.000 1.136 217 Y CA 1.072 59.191 58.100 0.031 0.000 1.255 217 Y CB -0.627 37.861 38.460 0.047 0.000 0.991 217 Y HN 0.062 nan 8.280 nan 0.000 0.552 218 S N -0.933 114.883 115.700 0.192 0.000 2.528 218 S HA -0.007 4.463 4.470 -0.000 0.000 0.219 218 S C 1.772 176.428 174.600 0.093 0.000 0.985 218 S CA 0.158 58.445 58.200 0.145 0.000 0.914 218 S CB -0.705 62.571 63.200 0.126 0.000 0.776 218 S HN 0.425 nan 8.310 nan 0.000 0.526 219 L N 1.686 122.947 121.223 0.063 0.000 2.017 219 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 219 L C -0.363 176.517 176.870 0.017 0.000 1.073 219 L CA 1.268 56.116 54.840 0.014 0.000 0.745 219 L CB -2.009 40.040 42.059 -0.018 0.000 0.894 219 L HN 0.271 nan 8.230 nan 0.000 0.432 220 P HA -0.231 nan 4.420 nan 0.000 0.216 220 P C 1.272 178.638 177.300 0.110 0.000 1.150 220 P CA 1.737 64.869 63.100 0.054 0.000 0.843 220 P CB -0.213 31.518 31.700 0.052 0.000 0.787 221 H N 0.326 119.400 119.070 0.006 0.000 2.389 221 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 221 H C 1.762 177.071 175.328 -0.031 0.000 1.081 221 H CA 0.909 56.963 56.048 0.010 0.000 1.345 221 H CB -0.814 28.956 29.762 0.015 0.000 1.393 221 H HN -0.157 nan 8.280 nan 0.000 0.520 222 V N 0.731 120.617 119.914 -0.047 0.000 2.626 222 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 222 V C 2.733 178.784 176.094 -0.070 0.000 1.067 222 V CA 1.293 63.393 62.300 -0.333 0.000 1.081 222 V CB -1.117 30.515 31.823 -0.318 0.000 0.686 222 V HN 0.548 nan 8.190 nan 0.000 0.468 223 A N -0.574 122.276 122.820 0.049 0.000 2.121 223 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 223 A C 1.083 178.848 177.584 0.302 0.000 1.154 223 A CA 0.479 52.596 52.037 0.133 0.000 0.679 223 A CB -0.383 18.605 19.000 -0.020 0.000 0.795 223 A HN 0.630 nan 8.150 nan 0.000 0.458 224 E N 0.211 120.581 120.200 0.283 0.000 2.324 224 E HA 0.377 4.727 4.350 -0.000 0.000 0.271 224 E C -0.981 175.781 176.600 0.269 0.000 1.028 224 E CA -0.098 56.459 56.400 0.261 0.000 0.890 224 E CB 0.634 30.492 29.700 0.263 0.000 1.004 224 E HN 0.407 nan 8.360 nan 0.000 0.431 225 L N 1.855 123.156 121.223 0.131 0.000 2.325 225 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 225 L C 0.956 177.795 176.870 -0.053 0.000 1.023 225 L CA -0.527 54.314 54.840 0.001 0.000 0.811 225 L CB 1.520 43.544 42.059 -0.058 0.000 1.249 225 L HN 0.624 nan 8.230 nan 0.000 0.431 226 A N 2.846 125.596 122.820 -0.118 0.000 2.169 226 A HA 0.090 4.410 4.320 -0.000 0.000 0.212 226 A C 0.718 178.260 177.584 -0.071 0.000 1.153 226 A CA 0.010 51.986 52.037 -0.101 0.000 0.756 226 A CB -0.079 18.844 19.000 -0.129 0.000 0.813 226 A HN 0.514 nan 8.150 nan 0.000 0.471 227 L N 0.685 121.864 121.223 -0.072 0.000 2.660 227 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 227 L C 1.279 178.162 176.870 0.022 0.000 1.194 227 L CA 1.696 56.521 54.840 -0.026 0.000 0.945 227 L CB -0.030 41.979 42.059 -0.083 0.000 1.212 227 L HN 0.605 nan 8.230 nan 0.000 0.490 228 G N 2.591 111.478 108.800 0.145 0.000 2.336 228 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.194 228 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.194 228 G C 0.860 175.805 174.900 0.075 0.000 0.999 228 G CA 0.072 45.301 45.100 0.216 0.000 0.669 228 G HN 1.054 nan 8.290 nan 0.000 0.482 229 G N 0.630 109.427 108.800 -0.005 0.000 2.712 229 G HA2 0.416 4.376 3.960 -0.000 0.000 0.212 229 G HA3 0.416 4.376 3.960 -0.000 0.000 0.212 229 G C 1.432 176.298 174.900 -0.056 0.000 1.142 229 G CA 2.571 47.620 45.100 -0.085 0.000 0.789 229 G HN 2.068 nan 8.290 nan 0.000 0.535 230 T N -1.361 113.186 114.554 -0.012 0.000 14.043 230 T HA -0.402 3.948 4.350 -0.000 0.000 0.422 230 T C 1.943 176.638 174.700 -0.008 0.000 1.438 230 T CA 2.074 64.169 62.100 -0.009 0.000 2.348 230 T CB -1.457 67.400 68.868 -0.018 0.000 2.748 230 T HN 1.288 nan 8.240 nan 0.000 0.266 231 A N 1.128 123.948 122.820 -0.001 0.000 1.858 231 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 231 A C 2.742 180.341 177.584 0.026 0.000 1.190 231 A CA 3.915 55.959 52.037 0.012 0.000 0.617 231 A CB -0.935 18.073 19.000 0.014 0.000 0.827 231 A HN 2.068 nan 8.150 nan 0.000 0.443 232 V N -5.621 114.315 119.914 0.037 0.000 3.432 232 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 232 V C 1.176 177.303 176.094 0.056 0.000 1.464 232 V CA 0.740 63.090 62.300 0.083 0.000 1.046 232 V CB -0.368 31.533 31.823 0.131 0.000 0.887 232 V HN 1.574 nan 8.190 nan 0.000 0.441 233 G N 1.392 110.134 108.800 -0.096 0.000 2.218 233 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 233 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 233 G C 1.014 175.646 174.900 -0.446 0.000 0.994 233 G CA 0.891 45.730 45.100 -0.434 0.000 0.637 233 G HN 1.007 nan 8.290 nan 0.000 0.505 234 T N -0.853 113.670 114.554 -0.050 0.000 3.035 234 T HA 0.361 4.711 4.350 -0.000 0.000 0.268 234 T C 2.492 177.204 174.700 0.020 0.000 1.109 234 T CA 1.759 63.913 62.100 0.090 0.000 1.119 234 T CB -0.151 68.812 68.868 0.158 0.000 0.900 234 T HN 2.271 nan 8.240 nan 0.000 0.503 235 G N 1.190 109.979 108.800 -0.018 0.000 2.147 235 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 235 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 235 G C -0.043 174.858 174.900 0.002 0.000 1.005 235 G CA 0.154 45.252 45.100 -0.003 0.000 0.713 235 G HN 0.732 nan 8.290 nan 0.000 0.515 236 L N -0.067 121.159 121.223 0.005 0.000 2.514 236 L HA 0.255 4.595 4.340 -0.000 0.000 0.280 236 L C 1.151 178.009 176.870 -0.020 0.000 1.223 236 L CA 1.110 55.950 54.840 0.000 0.000 0.864 236 L CB 0.015 42.079 42.059 0.009 0.000 1.118 236 L HN 0.530 nan 8.230 nan 0.000 0.494 237 N N 0.882 119.566 118.700 -0.026 0.000 2.780 237 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 237 N C -0.953 174.509 175.510 -0.080 0.000 1.102 237 N CA 0.793 53.816 53.050 -0.044 0.000 0.697 237 N CB -0.933 37.528 38.487 -0.043 0.000 1.028 237 N HN 0.850 nan 8.380 nan 0.000 0.554 238 T N -3.968 110.545 114.554 -0.068 0.000 2.883 238 T HA 0.365 4.715 4.350 -0.000 0.000 0.301 238 T C -0.580 174.121 174.700 0.002 0.000 1.158 238 T CA -0.862 61.178 62.100 -0.101 0.000 1.007 238 T CB 1.976 70.772 68.868 -0.120 0.000 1.186 238 T HN 0.250 nan 8.240 nan 0.000 0.499 239 H N 2.726 121.771 119.070 -0.042 0.000 2.722 239 H HA 0.326 4.882 4.556 -0.000 0.000 0.328 239 H C -1.236 174.139 175.328 0.078 0.000 1.067 239 H CA -1.489 54.576 56.048 0.028 0.000 1.447 239 H CB 1.247 31.040 29.762 0.052 0.000 1.469 239 H HN 0.353 nan 8.280 nan 0.000 0.544 240 P HA -0.218 nan 4.420 nan 0.000 0.218 240 P C 0.321 177.703 177.300 0.136 0.000 1.146 240 P CA 1.474 64.570 63.100 -0.006 0.000 0.820 240 P CB 0.367 32.002 31.700 -0.108 0.000 0.778 241 E N -2.236 118.166 120.200 0.337 0.000 2.447 241 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 241 E C 1.847 178.574 176.600 0.212 0.000 1.028 241 E CA -0.168 56.393 56.400 0.268 0.000 0.876 241 E CB -0.420 29.450 29.700 0.284 0.000 0.885 241 E HN 0.200 nan 8.360 nan 0.000 0.500 242 Y N 2.224 122.610 120.300 0.143 0.000 2.002 242 Y HA -0.392 4.158 4.550 -0.000 0.000 0.268 242 Y C 2.371 178.287 175.900 0.027 0.000 1.177 242 Y CA 2.126 60.263 58.100 0.062 0.000 1.111 242 Y CB -0.655 37.846 38.460 0.069 0.000 0.952 242 Y HN 0.031 nan 8.280 nan 0.000 0.491 243 A N 0.553 123.377 122.820 0.006 0.000 1.903 243 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 243 A C 2.448 179.953 177.584 -0.133 0.000 1.191 243 A CA 2.458 54.434 52.037 -0.103 0.000 0.638 243 A CB -1.048 17.965 19.000 0.022 0.000 0.823 243 A HN 0.636 nan 8.150 nan 0.000 0.451 244 R N -0.553 119.913 120.500 -0.057 0.000 2.066 244 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 244 R C 2.413 178.669 176.300 -0.072 0.000 1.131 244 R CA 1.473 57.548 56.100 -0.041 0.000 0.955 244 R CB -0.275 30.025 30.300 0.001 0.000 0.851 244 R HN 0.563 nan 8.270 nan 0.000 0.432 245 R N -0.058 120.389 120.500 -0.089 0.000 2.096 245 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 245 R C 2.331 178.536 176.300 -0.158 0.000 1.127 245 R CA 1.347 57.389 56.100 -0.097 0.000 0.968 245 R CB -0.487 29.769 30.300 -0.073 0.000 0.861 245 R HN 0.134 nan 8.270 nan 0.000 0.440 246 V N 0.882 120.618 119.914 -0.298 0.000 2.548 246 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 246 V C 2.130 178.098 176.094 -0.210 0.000 1.055 246 V CA 1.832 63.936 62.300 -0.327 0.000 1.065 246 V CB -0.154 31.300 31.823 -0.615 0.000 0.681 246 V HN 0.404 nan 8.190 nan 0.000 0.462 247 A N -0.735 121.985 122.820 -0.167 0.000 1.929 247 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 247 A C 1.979 179.548 177.584 -0.024 0.000 1.176 247 A CA 1.707 53.692 52.037 -0.086 0.000 0.628 247 A CB -0.550 18.426 19.000 -0.039 0.000 0.816 247 A HN 0.588 nan 8.150 nan 0.000 0.444 248 D N -0.519 119.862 120.400 -0.032 0.000 2.117 248 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 248 D C 1.918 178.216 176.300 -0.005 0.000 0.982 248 D CA 1.618 55.616 54.000 -0.003 0.000 0.828 248 D CB -0.226 40.567 40.800 -0.013 0.000 0.967 248 D HN 0.524 nan 8.370 nan 0.000 0.464 249 E N 1.017 121.193 120.200 -0.039 0.000 2.058 249 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 249 E C 2.296 178.881 176.600 -0.025 0.000 0.997 249 E CA 0.792 57.170 56.400 -0.037 0.000 0.801 249 E CB -0.491 29.172 29.700 -0.063 0.000 0.746 249 E HN 0.225 nan 8.360 nan 0.000 0.450 250 L N -0.179 121.011 121.223 -0.055 0.000 2.046 250 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 250 L C 2.509 179.438 176.870 0.099 0.000 1.077 250 L CA 1.213 56.013 54.840 -0.066 0.000 0.747 250 L CB -0.589 41.312 42.059 -0.264 0.000 0.896 250 L HN 0.246 nan 8.230 nan 0.000 0.432 251 A N -0.508 122.413 122.820 0.169 0.000 1.883 251 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 251 A C 2.330 179.988 177.584 0.123 0.000 1.186 251 A CA 1.938 54.117 52.037 0.236 0.000 0.624 251 A CB -0.871 18.225 19.000 0.160 0.000 0.822 251 A HN 0.197 nan 8.150 nan 0.000 0.444 252 V N 1.056 121.010 119.914 0.068 0.000 2.295 252 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 252 V C 2.492 178.610 176.094 0.039 0.000 1.049 252 V CA 2.045 64.369 62.300 0.040 0.000 1.024 252 V CB -0.783 31.051 31.823 0.019 0.000 0.648 252 V HN 0.767 nan 8.190 nan 0.000 0.447 253 I N -0.407 120.186 120.570 0.037 0.000 2.830 253 I HA -0.077 4.093 4.170 -0.000 0.000 0.263 253 I C 2.058 178.206 176.117 0.050 0.000 1.230 253 I CA 1.761 63.080 61.300 0.030 0.000 1.480 253 I CB -0.697 37.309 38.000 0.010 0.000 1.095 253 I HN 0.473 nan 8.210 nan 0.000 0.455 254 T N -3.675 110.935 114.554 0.094 0.000 2.990 254 T HA 0.157 4.507 4.350 -0.000 0.000 0.250 254 T C 1.077 175.829 174.700 0.086 0.000 1.041 254 T CA 0.541 62.715 62.100 0.123 0.000 1.010 254 T CB -0.516 68.511 68.868 0.266 0.000 1.003 254 T HN 0.471 nan 8.240 nan 0.000 0.499 255 C N 1.543 120.884 119.300 0.068 0.000 4.397 255 C HA 0.078 4.538 4.460 -0.000 0.000 0.291 255 C C 1.031 176.014 174.990 -0.012 0.000 1.408 255 C CA -0.167 58.866 59.018 0.026 0.000 1.971 255 C CB -2.829 24.919 27.740 0.013 0.000 1.258 255 C HN 1.042 nan 8.230 nan 0.000 0.795 256 A N 0.570 123.377 122.820 -0.022 0.000 2.340 256 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 256 A C -1.583 175.848 177.584 -0.256 0.000 1.140 256 A CA -1.314 50.592 52.037 -0.220 0.000 0.801 256 A CB 0.952 19.678 19.000 -0.458 0.000 1.234 256 A HN 0.245 nan 8.150 nan 0.000 0.469 257 P HA 0.110 nan 4.420 nan 0.000 0.238 257 P C -0.803 176.396 177.300 -0.168 0.000 1.714 257 P CA 0.159 63.155 63.100 -0.173 0.000 0.908 257 P CB -0.733 30.887 31.700 -0.133 0.000 1.893 258 F N 1.291 121.241 119.950 0.001 0.000 2.459 258 F HA 0.208 4.735 4.527 -0.000 0.000 0.346 258 F C 1.371 177.172 175.800 0.001 0.000 1.128 258 F CA -0.073 57.929 58.000 0.004 0.000 1.268 258 F CB 0.744 39.741 39.000 -0.005 0.000 1.161 258 F HN 0.002 nan 8.300 nan 0.000 0.583 259 V N -1.018 119.032 119.914 0.226 0.000 3.049 259 V HA 0.562 4.682 4.120 -0.000 0.000 0.309 259 V C -0.385 175.767 176.094 0.097 0.000 1.148 259 V CA -0.920 61.451 62.300 0.118 0.000 0.990 259 V CB 1.301 33.172 31.823 0.079 0.000 1.039 259 V HN 0.706 nan 8.190 nan 0.000 0.430 260 T N 2.495 117.077 114.554 0.047 0.000 2.919 260 T HA 0.574 4.924 4.350 -0.000 0.000 0.302 260 T C 0.512 175.235 174.700 0.037 0.000 1.031 260 T CA 0.528 62.640 62.100 0.021 0.000 1.127 260 T CB 0.498 69.362 68.868 -0.006 0.000 0.952 260 T HN 1.813 nan 8.240 nan 0.000 0.540 261 A N 7.542 130.382 122.820 0.034 0.000 2.524 261 A HA 0.338 4.658 4.320 -0.000 0.000 0.250 261 A C -0.673 176.928 177.584 0.029 0.000 1.078 261 A CA -1.098 50.968 52.037 0.048 0.000 0.761 261 A CB 0.028 19.054 19.000 0.043 0.000 1.012 261 A HN 0.775 nan 8.150 nan 0.000 0.500 262 P HA -0.141 nan 4.420 nan 0.000 0.218 262 P C 0.215 177.541 177.300 0.044 0.000 1.148 262 P CA 1.330 64.451 63.100 0.034 0.000 0.822 262 P CB 0.034 31.751 31.700 0.029 0.000 0.784 263 N N -0.343 118.388 118.700 0.051 0.000 2.531 263 N HA 0.108 4.848 4.740 -0.000 0.000 0.268 263 N C 0.966 176.479 175.510 0.005 0.000 1.023 263 N CA -0.476 52.623 53.050 0.082 0.000 0.896 263 N CB 0.842 39.413 38.487 0.141 0.000 1.233 263 N HN -0.363 nan 8.380 nan 0.000 0.512 264 K N 2.229 122.527 120.400 -0.170 0.000 2.283 264 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 264 K C 0.683 177.056 176.600 -0.379 0.000 1.048 264 K CA 1.023 57.117 56.287 -0.322 0.000 0.948 264 K CB -0.178 32.055 32.500 -0.445 0.000 0.742 264 K HN 0.556 nan 8.250 nan 0.000 0.458 265 F N 1.636 121.613 119.950 0.045 0.000 2.206 265 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 265 F C 2.498 178.332 175.800 0.055 0.000 1.090 265 F CA 0.895 58.925 58.000 0.050 0.000 1.323 265 F CB -0.415 38.614 39.000 0.049 0.000 1.028 265 F HN 0.094 nan 8.300 nan 0.000 0.492 266 E N 1.231 121.553 120.200 0.202 0.000 2.106 266 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 266 E C 2.281 178.948 176.600 0.111 0.000 0.984 266 E CA 1.151 57.643 56.400 0.154 0.000 0.806 266 E CB -0.196 29.593 29.700 0.149 0.000 0.750 266 E HN 0.312 nan 8.360 nan 0.000 0.458 267 A N 1.275 124.134 122.820 0.066 0.000 1.902 267 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 267 A C 2.383 179.961 177.584 -0.011 0.000 1.181 267 A CA 1.130 53.178 52.037 0.019 0.000 0.623 267 A CB -0.466 18.518 19.000 -0.026 0.000 0.818 267 A HN 0.300 nan 8.150 nan 0.000 0.443 268 L N -1.494 119.727 121.223 -0.003 0.000 2.202 268 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 268 L C 2.786 179.692 176.870 0.060 0.000 1.083 268 L CA 0.903 55.751 54.840 0.013 0.000 0.790 268 L CB -0.464 41.597 42.059 0.002 0.000 0.942 268 L HN 0.402 nan 8.230 nan 0.000 0.452 269 A N -0.332 122.542 122.820 0.091 0.000 2.208 269 A HA 0.054 4.374 4.320 -0.000 0.000 0.209 269 A C 1.094 178.730 177.584 0.087 0.000 1.161 269 A CA 1.111 53.212 52.037 0.107 0.000 0.782 269 A CB -0.445 18.636 19.000 0.136 0.000 0.816 269 A HN 0.474 nan 8.150 nan 0.000 0.477 270 T N -6.262 108.338 114.554 0.077 0.000 2.812 270 T HA 0.390 4.740 4.350 -0.000 0.000 0.294 270 T C -0.400 174.332 174.700 0.055 0.000 1.159 270 T CA -0.224 61.916 62.100 0.066 0.000 1.008 270 T CB 1.390 70.302 68.868 0.073 0.000 1.289 270 T HN 0.092 nan 8.240 nan 0.000 0.514 271 C N 1.363 120.689 119.300 0.044 0.000 2.849 271 C HA 0.371 4.831 4.460 -0.000 0.000 0.271 271 C C 1.527 176.515 174.990 -0.003 0.000 1.519 271 C CA -0.507 58.530 59.018 0.031 0.000 1.783 271 C CB -1.557 26.206 27.740 0.039 0.000 2.869 271 C HN 0.922 nan 8.230 nan 0.000 0.527 272 D N 2.299 122.703 120.400 0.008 0.000 2.133 272 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 272 D C 2.201 178.419 176.300 -0.137 0.000 0.997 272 D CA 1.909 55.911 54.000 0.004 0.000 0.840 272 D CB -0.141 40.731 40.800 0.119 0.000 0.947 272 D HN 0.526 nan 8.370 nan 0.000 0.452 273 A N 0.360 122.912 122.820 -0.447 0.000 1.940 273 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 273 A C 2.368 179.742 177.584 -0.350 0.000 1.176 273 A CA 1.070 52.651 52.037 -0.761 0.000 0.631 273 A CB -0.696 17.730 19.000 -0.957 0.000 0.814 273 A HN 0.250 nan 8.150 nan 0.000 0.446 274 L N -0.853 120.207 121.223 -0.272 0.000 2.179 274 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 274 L C 2.439 179.329 176.870 0.033 0.000 1.096 274 L CA 0.544 55.229 54.840 -0.259 0.000 0.779 274 L CB -0.453 41.388 42.059 -0.363 0.000 0.922 274 L HN 0.223 nan 8.230 nan 0.000 0.443 275 V N -0.393 119.536 119.914 0.025 0.000 2.343 275 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 275 V C 2.574 178.741 176.094 0.122 0.000 1.051 275 V CA 1.555 63.905 62.300 0.085 0.000 1.036 275 V CB -0.431 31.418 31.823 0.043 0.000 0.654 275 V HN 0.475 nan 8.190 nan 0.000 0.451 276 Q N -0.328 119.522 119.800 0.082 0.000 2.049 276 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 276 Q C 2.482 178.559 176.000 0.129 0.000 0.971 276 Q CA 1.744 57.607 55.803 0.100 0.000 0.833 276 Q CB -0.557 28.243 28.738 0.105 0.000 0.896 276 Q HN 0.632 nan 8.270 nan 0.000 0.434 277 A N 0.326 123.228 122.820 0.137 0.000 1.908 277 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 277 A C 1.858 179.603 177.584 0.269 0.000 1.181 277 A CA 1.973 54.133 52.037 0.205 0.000 0.627 277 A CB -0.838 18.296 19.000 0.222 0.000 0.818 277 A HN 0.433 nan 8.150 nan 0.000 0.445 278 H N -0.598 118.650 119.070 0.296 0.000 2.457 278 H HA 0.040 4.596 4.556 -0.000 0.000 0.294 278 H C 2.126 177.486 175.328 0.053 0.000 1.064 278 H CA 1.323 57.467 56.048 0.160 0.000 1.330 278 H CB -0.289 29.593 29.762 0.199 0.000 1.395 278 H HN 0.397 nan 8.280 nan 0.000 0.541 279 G N -0.217 108.661 108.800 0.129 0.000 2.442 279 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 279 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 279 G C 1.842 176.726 174.900 -0.027 0.000 1.141 279 G CA 0.708 45.840 45.100 0.052 0.000 0.763 279 G HN 0.539 nan 8.290 nan 0.000 0.554 280 A N 0.345 123.156 122.820 -0.016 0.000 1.968 280 A HA 0.205 4.524 4.320 -0.000 0.000 0.217 280 A C 2.401 179.921 177.584 -0.108 0.000 1.169 280 A CA 0.966 52.980 52.037 -0.038 0.000 0.638 280 A CB -0.260 18.762 19.000 0.037 0.000 0.812 280 A HN 0.357 nan 8.150 nan 0.000 0.446 281 L N -0.322 120.777 121.223 -0.205 0.000 2.056 281 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 281 L C 2.527 179.221 176.870 -0.292 0.000 1.078 281 L CA 1.800 56.449 54.840 -0.318 0.000 0.749 281 L CB -0.495 41.214 42.059 -0.582 0.000 0.901 281 L HN 0.507 nan 8.230 nan 0.000 0.433 282 K N 0.611 120.842 120.400 -0.282 0.000 2.283 282 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 282 K C 1.858 178.392 176.600 -0.110 0.000 1.048 282 K CA 1.336 57.529 56.287 -0.156 0.000 0.948 282 K CB -1.005 31.459 32.500 -0.060 0.000 0.742 282 K HN 0.125 nan 8.250 nan 0.000 0.458 283 G N 1.384 110.116 108.800 -0.114 0.000 2.404 283 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 283 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 283 G C 1.419 176.267 174.900 -0.087 0.000 1.174 283 G CA 0.716 45.755 45.100 -0.102 0.000 0.780 283 G HN 0.287 nan 8.290 nan 0.000 0.537 284 L N 1.411 122.578 121.223 -0.093 0.000 2.083 284 L HA 0.177 4.517 4.340 -0.000 0.000 0.209 284 L C 2.992 179.803 176.870 -0.098 0.000 1.083 284 L CA 2.088 56.879 54.840 -0.081 0.000 0.752 284 L CB -0.622 41.385 42.059 -0.088 0.000 0.899 284 L HN 0.222 nan 8.230 nan 0.000 0.433 285 A N -0.343 122.408 122.820 -0.115 0.000 1.902 285 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 285 A C 2.463 179.990 177.584 -0.095 0.000 1.181 285 A CA 1.816 53.786 52.037 -0.111 0.000 0.623 285 A CB -1.176 17.760 19.000 -0.108 0.000 0.818 285 A HN 0.585 nan 8.150 nan 0.000 0.443 286 A N -0.662 122.111 122.820 -0.080 0.000 1.933 286 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 286 A C 2.438 179.982 177.584 -0.067 0.000 1.175 286 A CA 2.025 54.023 52.037 -0.065 0.000 0.628 286 A CB -0.754 18.214 19.000 -0.054 0.000 0.814 286 A HN 0.455 nan 8.150 nan 0.000 0.444 287 S N -0.086 115.574 115.700 -0.067 0.000 2.355 287 S HA -0.050 4.420 4.470 -0.000 0.000 0.222 287 S C 1.823 176.359 174.600 -0.108 0.000 1.031 287 S CA 1.330 59.495 58.200 -0.059 0.000 0.993 287 S CB -0.439 62.744 63.200 -0.028 0.000 0.859 287 S HN 0.507 nan 8.310 nan 0.000 0.453 288 L N 0.678 121.819 121.223 -0.137 0.000 2.083 288 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 288 L C 2.542 179.265 176.870 -0.245 0.000 1.083 288 L CA 1.184 55.894 54.840 -0.218 0.000 0.752 288 L CB -0.452 41.477 42.059 -0.217 0.000 0.899 288 L HN 0.353 nan 8.230 nan 0.000 0.433 289 M N -0.132 119.367 119.600 -0.169 0.000 2.108 289 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 289 M C 2.309 178.535 176.300 -0.124 0.000 1.066 289 M CA 1.808 57.026 55.300 -0.137 0.000 1.107 289 M CB -0.244 32.306 32.600 -0.084 0.000 1.356 289 M HN -0.071 nan 8.290 nan 0.000 0.406 290 K N 0.451 120.784 120.400 -0.110 0.000 2.057 290 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 290 K C 1.858 178.355 176.600 -0.171 0.000 1.050 290 K CA 1.776 58.015 56.287 -0.081 0.000 0.935 290 K CB -0.494 31.983 32.500 -0.039 0.000 0.715 290 K HN 0.523 nan 8.250 nan 0.000 0.439 291 I N 0.963 121.339 120.570 -0.323 0.000 2.179 291 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 291 I C 2.503 178.292 176.117 -0.547 0.000 1.088 291 I CA 1.263 62.161 61.300 -0.670 0.000 1.357 291 I CB -0.379 37.215 38.000 -0.677 0.000 1.051 291 I HN 0.114 nan 8.210 nan 0.000 0.409 292 A N 0.851 123.415 122.820 -0.427 0.000 1.902 292 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 292 A C 2.093 179.599 177.584 -0.131 0.000 1.181 292 A CA 1.930 53.767 52.037 -0.333 0.000 0.623 292 A CB -0.662 18.113 19.000 -0.376 0.000 0.818 292 A HN 0.413 nan 8.150 nan 0.000 0.443 293 N N 0.302 118.961 118.700 -0.067 0.000 2.142 293 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 293 N C 1.170 176.823 175.510 0.239 0.000 1.023 293 N CA 1.506 54.623 53.050 0.113 0.000 0.852 293 N CB -0.448 38.147 38.487 0.181 0.000 0.998 293 N HN 0.415 nan 8.380 nan 0.000 0.424 294 D N 0.396 120.869 120.400 0.120 0.000 2.097 294 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 294 D C 2.100 178.538 176.300 0.231 0.000 0.989 294 D CA 0.520 54.654 54.000 0.224 0.000 0.827 294 D CB -0.298 40.663 40.800 0.269 0.000 0.966 294 D HN -0.029 nan 8.370 nan 0.000 0.456 295 V N 1.688 121.642 119.914 0.066 0.000 2.255 295 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 295 V C 2.520 178.686 176.094 0.119 0.000 1.051 295 V CA 2.322 64.694 62.300 0.120 0.000 1.018 295 V CB -0.551 31.331 31.823 0.099 0.000 0.641 295 V HN 0.297 nan 8.190 nan 0.000 0.445 296 R N -1.085 119.445 120.500 0.051 0.000 2.092 296 R HA -0.184 4.156 4.340 -0.000 0.000 0.231 296 R C 2.097 178.349 176.300 -0.081 0.000 1.119 296 R CA 1.919 57.988 56.100 -0.052 0.000 0.970 296 R CB -0.811 29.393 30.300 -0.160 0.000 0.864 296 R HN 0.525 nan 8.270 nan 0.000 0.440 297 W N 0.821 122.148 121.300 0.045 0.000 2.381 297 W HA -0.021 4.639 4.660 -0.000 0.000 0.301 297 W C 1.894 178.448 176.519 0.059 0.000 1.205 297 W CA 0.035 57.408 57.345 0.047 0.000 1.285 297 W CB -0.206 29.282 29.460 0.048 0.000 1.133 297 W HN 0.022 nan 8.180 nan 0.000 0.521 298 L N 0.120 121.530 121.223 0.311 0.000 2.191 298 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 298 L C 2.210 179.167 176.870 0.146 0.000 1.103 298 L CA 1.901 56.873 54.840 0.222 0.000 0.769 298 L CB -1.345 40.857 42.059 0.239 0.000 0.908 298 L HN 0.013 nan 8.230 nan 0.000 0.438 299 A N -1.754 121.134 122.820 0.114 0.000 2.308 299 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 299 A C 1.167 178.770 177.584 0.031 0.000 1.216 299 A CA 0.359 52.433 52.037 0.061 0.000 0.864 299 A CB -0.531 18.497 19.000 0.046 0.000 0.902 299 A HN 0.400 nan 8.150 nan 0.000 0.499 300 S N -0.639 115.083 115.700 0.036 0.000 2.560 300 S HA 0.534 5.004 4.470 -0.000 0.000 0.284 300 S C 0.607 175.223 174.600 0.027 0.000 1.327 300 S CA 0.334 58.534 58.200 0.001 0.000 1.055 300 S CB 1.016 64.218 63.200 0.003 0.000 0.868 300 S HN 1.584 nan 8.310 nan 0.000 0.506 301 G N 2.098 110.901 108.800 0.005 0.000 2.553 301 G HA2 0.251 4.211 3.960 -0.000 0.000 0.106 301 G HA3 0.251 4.211 3.960 -0.000 0.000 0.106 301 G C -2.254 172.648 174.900 0.002 0.000 1.126 301 G CA -0.094 45.015 45.100 0.015 0.000 1.075 301 G HN 0.599 nan 8.290 nan 0.000 0.472 302 P HA 0.149 nan 4.420 nan 0.000 0.227 302 P C 1.088 178.397 177.300 0.015 0.000 1.161 302 P CA 0.651 63.757 63.100 0.009 0.000 0.788 302 P CB 0.324 32.027 31.700 0.005 0.000 0.822 303 R N -0.801 119.708 120.500 0.016 0.000 2.221 303 R HA 0.171 4.511 4.340 -0.000 0.000 0.195 303 R C 1.331 177.646 176.300 0.026 0.000 0.956 303 R CA 0.577 56.688 56.100 0.019 0.000 1.064 303 R CB -0.642 29.666 30.300 0.014 0.000 1.049 303 R HN 0.182 nan 8.270 nan 0.000 0.534 304 C N 0.917 120.235 119.300 0.030 0.000 2.563 304 C HA 0.532 4.992 4.460 -0.000 0.000 0.307 304 C C 1.172 176.199 174.990 0.061 0.000 1.371 304 C CA -0.748 58.294 59.018 0.040 0.000 1.772 304 C CB -0.474 27.287 27.740 0.034 0.000 2.283 304 C HN 0.444 nan 8.230 nan 0.000 0.570 305 G N 0.163 109.003 108.800 0.067 0.000 3.302 305 G HA2 0.538 4.498 3.960 -0.000 0.000 0.170 305 G HA3 0.538 4.498 3.960 -0.000 0.000 0.170 305 G C 0.528 175.493 174.900 0.108 0.000 1.119 305 G CA -0.224 44.939 45.100 0.106 0.000 0.826 305 G HN 0.130 nan 8.290 nan 0.000 0.646 306 I N 0.499 121.149 120.570 0.134 0.000 2.556 306 I HA 0.174 4.344 4.170 -0.000 0.000 0.251 306 I C 2.121 178.287 176.117 0.081 0.000 1.105 306 I CA 0.923 62.293 61.300 0.116 0.000 1.436 306 I CB -0.160 37.935 38.000 0.159 0.000 1.139 306 I HN 0.709 nan 8.210 nan 0.000 0.438 307 G N 1.913 110.759 108.800 0.077 0.000 2.321 307 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.287 307 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.287 307 G C 0.612 175.534 174.900 0.036 0.000 1.018 307 G CA 0.722 45.852 45.100 0.049 0.000 0.855 307 G HN 0.503 nan 8.290 nan 0.000 0.507 308 E N -0.909 119.319 120.200 0.047 0.000 2.216 308 E HA 0.146 4.496 4.350 -0.000 0.000 0.192 308 E C 1.613 178.208 176.600 -0.007 0.000 0.988 308 E CA 1.093 57.505 56.400 0.020 0.000 0.834 308 E CB 0.120 29.840 29.700 0.032 0.000 0.772 308 E HN 0.924 nan 8.360 nan 0.000 0.479 309 I N -2.697 117.884 120.570 0.018 0.000 3.145 309 I HA 0.469 4.639 4.170 -0.000 0.000 0.313 309 I C -0.604 175.522 176.117 0.016 0.000 1.122 309 I CA -1.203 60.096 61.300 -0.000 0.000 0.987 309 I CB 2.361 40.386 38.000 0.042 0.000 1.236 309 I HN -0.261 nan 8.210 nan 0.000 0.453 310 S N 3.554 119.258 115.700 0.008 0.000 2.526 310 S HA 0.823 5.293 4.470 -0.000 0.000 0.293 310 S C -0.528 174.086 174.600 0.023 0.000 1.092 310 S CA -0.724 57.484 58.200 0.013 0.000 0.980 310 S CB 1.732 64.934 63.200 0.003 0.000 1.048 310 S HN 0.829 nan 8.310 nan 0.000 0.483 311 I N -1.608 118.973 120.570 0.018 0.000 2.797 311 I HA 0.698 4.868 4.170 -0.000 0.000 0.307 311 I C -2.992 173.127 176.117 0.002 0.000 1.033 311 I CA -3.097 58.209 61.300 0.010 0.000 1.071 311 I CB 1.034 39.036 38.000 0.005 0.000 1.255 311 I HN 0.310 nan 8.210 nan 0.000 0.445 312 P HA 0.048 nan 4.420 nan 0.000 0.264 312 P C -0.964 176.335 177.300 -0.003 0.000 1.193 312 P CA 0.116 63.217 63.100 0.001 0.000 0.763 312 P CB 0.405 32.109 31.700 0.005 0.000 0.810 313 E N 2.950 123.148 120.200 -0.004 0.000 2.089 313 E HA 0.083 4.433 4.350 -0.000 0.000 0.284 313 E C 0.251 176.841 176.600 -0.017 0.000 1.023 313 E CA -0.317 56.077 56.400 -0.011 0.000 0.819 313 E CB 0.178 29.873 29.700 -0.009 0.000 1.076 313 E HN 0.304 nan 8.360 nan 0.000 0.396 314 N N 4.028 122.711 118.700 -0.029 0.000 2.325 314 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 314 N C -0.316 175.160 175.510 -0.056 0.000 1.088 314 N CA 0.379 53.398 53.050 -0.052 0.000 0.879 314 N CB 0.510 38.939 38.487 -0.096 0.000 0.983 314 N HN 0.641 nan 8.380 nan 0.000 0.471 315 E N 0.901 121.076 120.200 -0.041 0.000 2.433 315 E HA 0.452 4.802 4.350 -0.000 0.000 0.273 315 E C -2.667 173.918 176.600 -0.025 0.000 0.950 315 E CA -1.501 54.877 56.400 -0.036 0.000 0.796 315 E CB 1.328 31.005 29.700 -0.039 0.000 1.330 315 E HN -0.194 nan 8.360 nan 0.000 0.455 322 P HA -0.027 nan 4.420 nan 0.000 0.205 322 P C 1.396 178.693 177.300 -0.005 0.000 1.181 322 P CA 1.380 64.478 63.100 -0.004 0.000 0.933 322 P CB 0.122 31.821 31.700 -0.002 0.000 0.775 323 G N -0.711 108.087 108.800 -0.004 0.000 3.061 323 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.208 323 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.208 323 G C 0.436 175.332 174.900 -0.007 0.000 1.175 323 G CA -0.257 44.841 45.100 -0.004 0.000 0.812 323 G HN 0.262 nan 8.290 nan 0.000 0.523 324 K N 1.092 121.486 120.400 -0.009 0.000 2.307 324 K HA 0.278 4.598 4.320 -0.000 0.000 0.285 324 K C -0.705 175.885 176.600 -0.016 0.000 1.073 324 K CA -0.167 56.111 56.287 -0.013 0.000 0.996 324 K CB 0.274 32.766 32.500 -0.014 0.000 0.994 324 K HN -0.075 nan 8.250 nan 0.000 0.452 325 V N 5.567 125.470 119.914 -0.018 0.000 2.293 325 V HA 0.136 4.256 4.120 -0.000 0.000 0.275 325 V C -0.465 175.613 176.094 -0.027 0.000 1.021 325 V CA -1.174 61.115 62.300 -0.019 0.000 0.815 325 V CB 0.831 32.646 31.823 -0.013 0.000 1.025 325 V HN 0.734 nan 8.190 nan 0.000 0.448 326 N N 6.710 125.392 118.700 -0.030 0.000 2.497 326 N HA 0.208 4.948 4.740 -0.000 0.000 0.268 326 N C -2.015 173.476 175.510 -0.033 0.000 1.171 326 N CA -1.374 51.652 53.050 -0.040 0.000 0.948 326 N CB 1.168 39.632 38.487 -0.038 0.000 1.069 326 N HN 0.399 nan 8.380 nan 0.000 0.460 327 P HA 0.056 nan 4.420 nan 0.000 0.230 327 P C 0.678 177.976 177.300 -0.005 0.000 1.791 327 P CA -0.135 62.954 63.100 -0.018 0.000 1.020 327 P CB -0.507 31.172 31.700 -0.035 0.000 1.977 328 T N -1.878 112.674 114.554 -0.003 0.000 2.788 328 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 328 T C 1.752 176.472 174.700 0.033 0.000 1.044 328 T CA 1.021 63.122 62.100 0.002 0.000 1.139 328 T CB -0.489 68.373 68.868 -0.009 0.000 0.867 328 T HN 0.082 nan 8.240 nan 0.000 0.454 329 Q N 0.303 120.145 119.800 0.071 0.000 2.119 329 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 329 Q C 2.732 178.844 176.000 0.186 0.000 0.972 329 Q CA 1.193 57.086 55.803 0.151 0.000 0.847 329 Q CB -1.031 27.825 28.738 0.197 0.000 0.903 329 Q HN 0.650 nan 8.270 nan 0.000 0.433 330 C N 0.793 120.188 119.300 0.158 0.000 2.440 330 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 330 C C 2.473 177.453 174.990 -0.017 0.000 1.295 330 C CA 0.457 59.520 59.018 0.076 0.000 1.738 330 C CB -0.636 27.139 27.740 0.058 0.000 1.987 330 C HN 0.553 nan 8.230 nan 0.000 0.492 331 E N 1.058 121.252 120.200 -0.010 0.000 2.072 331 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 331 E C 2.368 178.954 176.600 -0.023 0.000 0.985 331 E CA 1.260 57.643 56.400 -0.029 0.000 0.801 331 E CB -0.232 29.451 29.700 -0.029 0.000 0.750 331 E HN 0.661 nan 8.360 nan 0.000 0.452 332 A N 1.227 124.044 122.820 -0.004 0.000 1.877 332 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 332 A C 2.158 179.726 177.584 -0.027 0.000 1.186 332 A CA 0.977 53.012 52.037 -0.003 0.000 0.620 332 A CB -0.530 18.483 19.000 0.021 0.000 0.822 332 A HN 0.198 nan 8.150 nan 0.000 0.443 333 L N 0.558 121.753 121.223 -0.047 0.000 2.017 333 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 333 L C 2.831 179.626 176.870 -0.124 0.000 1.073 333 L CA 2.945 57.714 54.840 -0.119 0.000 0.745 333 L CB -0.984 40.922 42.059 -0.254 0.000 0.894 333 L HN 0.603 nan 8.230 nan 0.000 0.432 334 T N -3.866 110.623 114.554 -0.110 0.000 2.821 334 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 334 T C 1.927 176.592 174.700 -0.059 0.000 1.046 334 T CA 1.559 63.606 62.100 -0.089 0.000 1.139 334 T CB -0.459 68.367 68.868 -0.070 0.000 0.871 334 T HN 0.307 nan 8.240 nan 0.000 0.454 335 M N 1.187 120.760 119.600 -0.045 0.000 2.086 335 M HA 0.064 4.544 4.480 -0.000 0.000 0.261 335 M C 2.294 178.576 176.300 -0.030 0.000 1.067 335 M CA 1.564 56.847 55.300 -0.029 0.000 1.116 335 M CB -0.633 31.956 32.600 -0.019 0.000 1.348 335 M HN 0.393 nan 8.290 nan 0.000 0.407 336 L N -2.180 119.020 121.223 -0.039 0.000 2.291 336 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 336 L C 2.132 178.971 176.870 -0.051 0.000 1.120 336 L CA 1.296 56.111 54.840 -0.040 0.000 0.799 336 L CB -1.534 40.498 42.059 -0.044 0.000 0.925 336 L HN 0.185 nan 8.230 nan 0.000 0.446 337 C N -0.728 118.533 119.300 -0.065 0.000 2.457 337 C HA -0.065 4.395 4.460 -0.000 0.000 0.278 337 C C 2.935 177.899 174.990 -0.043 0.000 1.309 337 C CA 0.708 59.684 59.018 -0.070 0.000 1.735 337 C CB -1.224 26.463 27.740 -0.088 0.000 1.992 337 C HN 0.806 nan 8.230 nan 0.000 0.493 338 C N -0.361 118.920 119.300 -0.031 0.000 2.440 338 C HA -0.109 4.351 4.460 -0.000 0.000 0.278 338 C C 2.748 177.737 174.990 -0.002 0.000 1.295 338 C CA 1.195 60.205 59.018 -0.014 0.000 1.738 338 C CB -1.349 26.386 27.740 -0.009 0.000 1.987 338 C HN 0.642 nan 8.230 nan 0.000 0.492 339 Q N 1.114 120.911 119.800 -0.005 0.000 2.050 339 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 339 Q C 2.097 178.108 176.000 0.019 0.000 0.980 339 Q CA 1.991 57.798 55.803 0.007 0.000 0.840 339 Q CB -0.456 28.282 28.738 -0.000 0.000 0.898 339 Q HN 0.480 nan 8.270 nan 0.000 0.424 340 V N 0.193 120.111 119.914 0.006 0.000 2.392 340 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 340 V C 2.249 178.399 176.094 0.093 0.000 1.059 340 V CA 1.854 64.176 62.300 0.037 0.000 1.051 340 V CB -0.529 31.262 31.823 -0.054 0.000 0.658 340 V HN 0.392 nan 8.190 nan 0.000 0.455 341 M N 0.835 120.458 119.600 0.038 0.000 2.117 341 M HA -0.040 4.440 4.480 -0.000 0.000 0.262 341 M C 2.069 178.401 176.300 0.052 0.000 1.065 341 M CA 2.027 57.352 55.300 0.041 0.000 1.114 341 M CB -1.152 31.455 32.600 0.012 0.000 1.361 341 M HN 0.339 nan 8.290 nan 0.000 0.408 342 G N -0.742 108.083 108.800 0.041 0.000 2.402 342 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 342 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 342 G C 1.429 176.351 174.900 0.038 0.000 1.162 342 G CA 0.836 45.958 45.100 0.037 0.000 0.777 342 G HN 0.415 nan 8.290 nan 0.000 0.539 343 N N 0.815 119.540 118.700 0.043 0.000 2.149 343 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 343 N C 1.754 177.198 175.510 -0.111 0.000 1.019 343 N CA 1.371 54.415 53.050 -0.010 0.000 0.857 343 N CB -0.405 38.081 38.487 -0.001 0.000 0.997 343 N HN 0.414 nan 8.380 nan 0.000 0.426 344 D N -0.113 120.289 120.400 0.004 0.000 2.117 344 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 344 D C 1.769 178.062 176.300 -0.011 0.000 0.987 344 D CA 0.630 54.636 54.000 0.010 0.000 0.829 344 D CB 0.182 41.118 40.800 0.225 0.000 0.961 344 D HN -0.043 nan 8.370 nan 0.000 0.460 345 V N 0.567 120.487 119.914 0.009 0.000 2.358 345 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 345 V C 2.507 178.600 176.094 -0.002 0.000 1.047 345 V CA 1.697 64.001 62.300 0.006 0.000 1.035 345 V CB -0.852 30.980 31.823 0.015 0.000 0.658 345 V HN 0.330 nan 8.190 nan 0.000 0.452 346 A N -0.073 122.751 122.820 0.007 0.000 1.902 346 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 346 A C 2.189 179.782 177.584 0.015 0.000 1.181 346 A CA 1.954 54.013 52.037 0.036 0.000 0.623 346 A CB -0.545 18.505 19.000 0.082 0.000 0.818 346 A HN 0.506 nan 8.150 nan 0.000 0.443 347 I N -0.053 120.495 120.570 -0.036 0.000 2.252 347 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 347 I C 2.089 178.185 176.117 -0.035 0.000 1.102 347 I CA 1.135 62.408 61.300 -0.044 0.000 1.385 347 I CB -0.460 37.452 38.000 -0.147 0.000 1.064 347 I HN 0.303 nan 8.210 nan 0.000 0.414 348 N N 0.806 119.486 118.700 -0.033 0.000 2.084 348 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 348 N C 1.891 177.359 175.510 -0.070 0.000 1.030 348 N CA 1.452 54.483 53.050 -0.031 0.000 0.849 348 N CB -0.292 38.188 38.487 -0.012 0.000 1.012 348 N HN 0.314 nan 8.380 nan 0.000 0.423 349 M N -0.030 119.523 119.600 -0.078 0.000 2.117 349 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 349 M C 2.204 178.330 176.300 -0.289 0.000 1.065 349 M CA 1.661 56.878 55.300 -0.138 0.000 1.114 349 M CB -0.644 31.903 32.600 -0.088 0.000 1.361 349 M HN 0.201 nan 8.290 nan 0.000 0.408 350 G N -0.268 108.390 108.800 -0.236 0.000 2.418 350 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 350 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 350 G C 1.491 176.212 174.900 -0.298 0.000 1.158 350 G CA 0.941 45.822 45.100 -0.366 0.000 0.771 350 G HN 0.567 nan 8.290 nan 0.000 0.545 351 G N 0.785 109.506 108.800 -0.132 0.000 2.422 351 G HA2 0.120 4.080 3.960 -0.000 0.000 0.218 351 G HA3 0.120 4.080 3.960 -0.000 0.000 0.218 351 G C 1.806 176.648 174.900 -0.097 0.000 1.140 351 G CA 1.284 46.340 45.100 -0.072 0.000 0.775 351 G HN 0.651 nan 8.290 nan 0.000 0.545 352 A N 0.146 122.881 122.820 -0.142 0.000 2.208 352 A HA 0.373 4.693 4.320 -0.000 0.000 0.209 352 A C 2.016 179.498 177.584 -0.170 0.000 1.161 352 A CA 1.087 53.050 52.037 -0.123 0.000 0.782 352 A CB 0.094 19.032 19.000 -0.103 0.000 0.816 352 A HN 0.187 nan 8.150 nan 0.000 0.477 353 S N 0.447 115.966 115.700 -0.301 0.000 2.622 353 S HA 0.305 4.775 4.470 -0.000 0.000 0.236 353 S C 0.998 175.542 174.600 -0.093 0.000 0.956 353 S CA 0.055 58.056 58.200 -0.332 0.000 0.971 353 S CB 0.033 62.708 63.200 -0.875 0.000 0.782 353 S HN 0.664 nan 8.310 nan 0.000 0.468 354 G N 1.630 110.408 108.800 -0.036 0.000 2.594 354 G HA2 0.379 4.339 3.960 -0.000 0.000 0.243 354 G HA3 0.379 4.339 3.960 -0.000 0.000 0.243 354 G C -0.469 174.419 174.900 -0.020 0.000 1.229 354 G CA -0.453 44.676 45.100 0.048 0.000 0.843 354 G HN 0.428 nan 8.290 nan 0.000 0.578 355 N N 0.173 118.863 118.700 -0.016 0.000 2.430 355 N HA 0.502 5.242 4.740 -0.000 0.000 0.290 355 N C -0.300 175.157 175.510 -0.090 0.000 1.063 355 N CA -0.653 52.261 53.050 -0.227 0.000 0.883 355 N CB 1.689 40.075 38.487 -0.168 0.000 1.465 355 N HN 0.433 nan 8.380 nan 0.000 0.493 356 F N 0.320 120.308 119.950 0.063 0.000 2.756 356 F HA -0.372 4.155 4.527 -0.000 0.000 0.240 356 F C 1.724 177.572 175.800 0.080 0.000 1.487 356 F CA 1.153 59.189 58.000 0.061 0.000 1.859 356 F CB -0.851 38.180 39.000 0.052 0.000 1.319 356 F HN 0.438 nan 8.300 nan 0.000 0.230 357 E N 0.464 120.865 120.200 0.334 0.000 2.482 357 E HA 0.308 4.658 4.350 -0.000 0.000 0.196 357 E C -0.182 176.521 176.600 0.171 0.000 1.047 357 E CA 0.619 57.157 56.400 0.230 0.000 0.869 357 E CB 0.065 29.884 29.700 0.198 0.000 0.836 357 E HN 0.316 nan 8.360 nan 0.000 0.520 358 L N 0.277 121.597 121.223 0.161 0.000 2.513 358 L HA 0.370 4.710 4.340 -0.000 0.000 0.261 358 L C -1.549 175.392 176.870 0.120 0.000 0.945 358 L CA -0.590 54.320 54.840 0.118 0.000 0.848 358 L CB 1.923 44.037 42.059 0.093 0.000 1.334 358 L HN -0.202 nan 8.230 nan 0.000 0.407 359 N N 3.288 122.057 118.700 0.115 0.000 2.419 359 N HA 0.287 5.027 4.740 -0.000 0.000 0.264 359 N C -0.397 175.204 175.510 0.151 0.000 1.031 359 N CA -0.151 52.994 53.050 0.159 0.000 0.951 359 N CB 1.602 40.176 38.487 0.145 0.000 1.101 359 N HN 0.521 nan 8.380 nan 0.000 0.488 360 V N 2.013 122.024 119.914 0.162 0.000 2.812 360 V HA 0.460 4.580 4.120 -0.000 0.000 0.344 360 V C -0.346 175.629 176.094 -0.198 0.000 1.244 360 V CA -0.340 61.945 62.300 -0.024 0.000 1.447 360 V CB -1.391 30.369 31.823 -0.105 0.000 1.534 360 V HN 0.440 nan 8.190 nan 0.000 0.590 361 F N -0.206 119.754 119.950 0.016 0.000 2.817 361 F HA 0.475 5.002 4.527 -0.000 0.000 0.319 361 F C 1.916 177.742 175.800 0.042 0.000 1.136 361 F CA -0.560 57.460 58.000 0.034 0.000 1.177 361 F CB 0.509 39.537 39.000 0.046 0.000 1.088 361 F HN 0.096 nan 8.300 nan 0.000 0.520 362 R N 0.778 121.370 120.500 0.153 0.000 2.080 362 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 362 R C -0.676 175.759 176.300 0.226 0.000 1.137 362 R CA 1.858 58.077 56.100 0.198 0.000 0.943 362 R CB -1.704 28.755 30.300 0.266 0.000 0.846 362 R HN 0.173 nan 8.270 nan 0.000 0.431 363 P HA -0.222 nan 4.420 nan 0.000 0.216 363 P C 1.377 178.672 177.300 -0.007 0.000 1.153 363 P CA 1.219 64.340 63.100 0.036 0.000 0.858 363 P CB -0.083 31.477 31.700 -0.234 0.000 0.789 364 M N -0.406 119.186 119.600 -0.013 0.000 2.086 364 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 364 M C 1.783 178.189 176.300 0.176 0.000 1.067 364 M CA 1.958 57.304 55.300 0.078 0.000 1.116 364 M CB -1.033 31.726 32.600 0.266 0.000 1.348 364 M HN -0.200 nan 8.290 nan 0.000 0.407 365 V N 0.737 120.753 119.914 0.170 0.000 2.295 365 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 365 V C 2.467 178.647 176.094 0.143 0.000 1.049 365 V CA 1.754 64.139 62.300 0.142 0.000 1.024 365 V CB -0.832 31.067 31.823 0.126 0.000 0.648 365 V HN 0.467 nan 8.190 nan 0.000 0.447 366 I N -0.393 120.261 120.570 0.140 0.000 2.394 366 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 366 I C 2.337 178.533 176.117 0.132 0.000 1.136 366 I CA 1.750 63.123 61.300 0.121 0.000 1.425 366 I CB -0.548 37.478 38.000 0.043 0.000 1.079 366 I HN 0.529 nan 8.210 nan 0.000 0.425 367 H N 0.535 119.626 119.070 0.035 0.000 2.290 367 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 367 H C 1.973 177.333 175.328 0.054 0.000 1.087 367 H CA 2.629 58.679 56.048 0.003 0.000 1.291 367 H CB -0.429 29.281 29.762 -0.086 0.000 1.369 367 H HN 0.394 nan 8.280 nan 0.000 0.492 368 N N -0.883 117.752 118.700 -0.108 0.000 2.142 368 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 368 N C 1.561 177.028 175.510 -0.073 0.000 1.023 368 N CA 1.161 54.123 53.050 -0.147 0.000 0.852 368 N CB -0.312 38.158 38.487 -0.028 0.000 0.998 368 N HN 0.278 nan 8.380 nan 0.000 0.424 369 F N 1.300 121.200 119.950 -0.082 0.000 2.075 369 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 369 F C 1.751 177.560 175.800 0.015 0.000 1.113 369 F CA 1.254 59.267 58.000 0.020 0.000 1.218 369 F CB -0.209 38.806 39.000 0.025 0.000 0.984 369 F HN -0.035 nan 8.300 nan 0.000 0.472 370 L N -0.118 121.205 121.223 0.167 0.000 2.141 370 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 370 L C 2.531 179.359 176.870 -0.070 0.000 1.094 370 L CA 1.483 56.360 54.840 0.062 0.000 0.763 370 L CB -0.811 41.291 42.059 0.072 0.000 0.908 370 L HN 0.320 nan 8.230 nan 0.000 0.437 371 Q N -0.105 119.618 119.800 -0.128 0.000 2.050 371 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 371 Q C 2.298 178.225 176.000 -0.122 0.000 0.980 371 Q CA 2.007 57.723 55.803 -0.145 0.000 0.840 371 Q CB 0.093 28.689 28.738 -0.237 0.000 0.898 371 Q HN 0.415 nan 8.270 nan 0.000 0.424 372 S N -0.127 115.491 115.700 -0.136 0.000 2.382 372 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 372 S C 1.960 176.437 174.600 -0.205 0.000 1.027 372 S CA 1.309 59.422 58.200 -0.145 0.000 0.991 372 S CB -0.216 62.934 63.200 -0.085 0.000 0.823 372 S HN 0.256 nan 8.310 nan 0.000 0.469 373 V N 1.932 121.693 119.914 -0.256 0.000 2.358 373 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 373 V C 2.487 178.514 176.094 -0.111 0.000 1.047 373 V CA 1.582 63.762 62.300 -0.200 0.000 1.035 373 V CB -0.599 31.125 31.823 -0.164 0.000 0.658 373 V HN 0.379 nan 8.190 nan 0.000 0.452 374 R N -0.319 120.130 120.500 -0.086 0.000 2.070 374 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 374 R C 2.343 178.612 176.300 -0.052 0.000 1.137 374 R CA 1.554 57.621 56.100 -0.054 0.000 0.945 374 R CB -0.546 29.728 30.300 -0.043 0.000 0.845 374 R HN 0.409 nan 8.270 nan 0.000 0.430 375 L N 0.402 121.587 121.223 -0.063 0.000 2.012 375 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 375 L C 2.349 179.182 176.870 -0.062 0.000 1.073 375 L CA 0.989 55.797 54.840 -0.054 0.000 0.748 375 L CB -0.475 41.548 42.059 -0.059 0.000 0.891 375 L HN 0.153 nan 8.230 nan 0.000 0.431 376 L N -0.219 120.951 121.223 -0.087 0.000 2.017 376 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 376 L C 2.737 179.568 176.870 -0.065 0.000 1.073 376 L CA 2.107 56.892 54.840 -0.091 0.000 0.745 376 L CB -1.423 40.561 42.059 -0.124 0.000 0.894 376 L HN 0.191 nan 8.230 nan 0.000 0.432 377 A N -0.716 122.070 122.820 -0.057 0.000 1.855 377 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 377 A C 2.027 179.600 177.584 -0.018 0.000 1.191 377 A CA 1.794 53.809 52.037 -0.036 0.000 0.613 377 A CB -0.687 18.292 19.000 -0.034 0.000 0.829 377 A HN 0.395 nan 8.150 nan 0.000 0.442 378 D N -0.282 120.109 120.400 -0.015 0.000 2.144 378 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 378 D C 2.054 178.365 176.300 0.018 0.000 0.978 378 D CA 1.384 55.386 54.000 0.003 0.000 0.833 378 D CB -0.748 40.055 40.800 0.005 0.000 0.961 378 D HN 0.431 nan 8.370 nan 0.000 0.470 379 G N 0.602 109.404 108.800 0.003 0.000 2.421 379 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 379 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 379 G C 1.651 176.579 174.900 0.046 0.000 1.171 379 G CA 0.594 45.702 45.100 0.012 0.000 0.775 379 G HN 0.199 nan 8.290 nan 0.000 0.543 380 M N 0.013 119.626 119.600 0.022 0.000 2.175 380 M HA -0.000 4.480 4.480 -0.000 0.000 0.264 380 M C 2.436 178.791 176.300 0.091 0.000 1.063 380 M CA 1.444 56.783 55.300 0.064 0.000 1.119 380 M CB -0.270 32.343 32.600 0.021 0.000 1.377 380 M HN 0.388 nan 8.290 nan 0.000 0.415 381 E N -0.181 120.043 120.200 0.041 0.000 2.051 381 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 381 E C 2.066 178.661 176.600 -0.009 0.000 0.991 381 E CA 1.613 58.018 56.400 0.009 0.000 0.799 381 E CB 0.050 29.747 29.700 -0.004 0.000 0.748 381 E HN 0.319 nan 8.360 nan 0.000 0.449 382 S N -0.540 115.187 115.700 0.046 0.000 2.356 382 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 382 S C 1.699 176.364 174.600 0.109 0.000 1.032 382 S CA 1.164 59.418 58.200 0.090 0.000 1.005 382 S CB -0.513 62.788 63.200 0.169 0.000 0.867 382 S HN 0.463 nan 8.310 nan 0.000 0.449 383 F N 3.179 123.129 119.950 -0.001 0.000 2.161 383 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 383 F C 2.177 177.965 175.800 -0.020 0.000 1.089 383 F CA 1.896 59.894 58.000 -0.003 0.000 1.282 383 F CB -0.636 38.348 39.000 -0.027 0.000 1.010 383 F HN 0.339 nan 8.300 nan 0.000 0.485 384 N N 1.200 119.893 118.700 -0.012 0.000 2.051 384 N HA -0.246 4.494 4.740 -0.000 0.000 0.192 384 N C 1.941 177.338 175.510 -0.189 0.000 1.049 384 N CA 2.087 55.071 53.050 -0.110 0.000 0.845 384 N CB -0.283 38.190 38.487 -0.024 0.000 1.031 384 N HN 0.484 nan 8.380 nan 0.000 0.425 385 K N -0.883 119.379 120.400 -0.230 0.000 2.211 385 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 385 K C 0.857 177.238 176.600 -0.366 0.000 1.050 385 K CA 1.303 57.393 56.287 -0.329 0.000 0.945 385 K CB -0.210 32.027 32.500 -0.438 0.000 0.732 385 K HN 0.345 nan 8.250 nan 0.000 0.451 386 H N -1.116 117.905 119.070 -0.081 0.000 2.594 386 H HA 0.224 4.780 4.556 -0.000 0.000 0.279 386 H C 0.772 176.017 175.328 -0.138 0.000 1.042 386 H CA -0.135 55.864 56.048 -0.080 0.000 1.177 386 H CB 0.591 30.329 29.762 -0.040 0.000 1.524 386 H HN 0.413 nan 8.280 nan 0.000 0.537 387 C N -0.976 118.215 119.300 -0.182 0.000 3.193 387 C HA 0.484 4.944 4.460 -0.000 0.000 0.411 387 C C 2.746 177.533 174.990 -0.338 0.000 1.682 387 C CA 0.992 59.828 59.018 -0.304 0.000 2.131 387 C CB -0.629 26.780 27.740 -0.550 0.000 2.471 387 C HN 0.378 nan 8.230 nan 0.000 0.546 388 A N 1.517 124.012 122.820 -0.541 0.000 1.917 388 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 388 A C 2.066 179.588 177.584 -0.103 0.000 1.182 388 A CA 3.168 55.022 52.037 -0.306 0.000 0.633 388 A CB -1.245 17.589 19.000 -0.277 0.000 0.819 388 A HN 1.402 nan 8.150 nan 0.000 0.448 389 V N -2.604 117.249 119.914 -0.103 0.000 2.720 389 V HA 0.063 4.183 4.120 -0.000 0.000 0.256 389 V C 1.870 177.957 176.094 -0.013 0.000 1.082 389 V CA 1.832 64.104 62.300 -0.047 0.000 1.101 389 V CB -1.214 30.576 31.823 -0.055 0.000 0.693 389 V HN 0.492 nan 8.190 nan 0.000 0.479 390 G N -0.375 108.415 108.800 -0.017 0.000 3.393 390 G HA2 0.368 4.328 3.960 -0.000 0.000 0.255 390 G HA3 0.368 4.328 3.960 -0.000 0.000 0.255 390 G C 0.425 175.357 174.900 0.053 0.000 1.097 390 G CA -0.418 44.693 45.100 0.018 0.000 0.780 390 G HN 0.497 nan 8.290 nan 0.000 0.540 391 I N 1.800 122.419 120.570 0.082 0.000 2.662 391 I HA 0.090 4.260 4.170 -0.000 0.000 0.285 391 I C -0.237 176.007 176.117 0.211 0.000 1.161 391 I CA 0.474 61.861 61.300 0.144 0.000 1.415 391 I CB 0.680 38.812 38.000 0.221 0.000 1.385 391 I HN -0.002 nan 8.210 nan 0.000 0.552 392 E N 8.661 128.919 120.200 0.097 0.000 2.266 392 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 392 E C -2.470 174.039 176.600 -0.152 0.000 0.879 392 E CA -1.933 54.479 56.400 0.020 0.000 0.762 392 E CB 2.228 31.948 29.700 0.034 0.000 1.199 392 E HN 0.247 nan 8.360 nan 0.000 0.422 393 P HA 0.267 nan 4.420 nan 0.000 0.282 393 P C -0.492 176.706 177.300 -0.171 0.000 1.249 393 P CA -0.660 62.229 63.100 -0.352 0.000 0.806 393 P CB 0.817 32.152 31.700 -0.607 0.000 0.984 394 N N 2.879 121.513 118.700 -0.111 0.000 2.918 394 N HA 0.154 4.894 4.740 -0.000 0.000 0.247 394 N C 1.322 176.798 175.510 -0.057 0.000 1.117 394 N CA -0.232 52.782 53.050 -0.060 0.000 1.005 394 N CB 0.183 38.651 38.487 -0.031 0.000 1.297 394 N HN 0.306 nan 8.380 nan 0.000 0.513 395 R N 0.944 121.407 120.500 -0.062 0.000 2.103 395 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 395 R C 1.234 177.521 176.300 -0.023 0.000 1.142 395 R CA 1.765 57.837 56.100 -0.047 0.000 0.960 395 R CB 0.068 30.345 30.300 -0.037 0.000 0.858 395 R HN 0.468 nan 8.270 nan 0.000 0.439 396 E N 0.411 120.601 120.200 -0.016 0.000 2.051 396 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 396 E C 1.885 178.484 176.600 -0.002 0.000 0.991 396 E CA 1.150 57.547 56.400 -0.006 0.000 0.799 396 E CB -0.279 29.419 29.700 -0.004 0.000 0.748 396 E HN 0.084 nan 8.360 nan 0.000 0.449 397 R N 1.162 121.659 120.500 -0.004 0.000 2.073 397 R HA 0.002 4.342 4.340 -0.000 0.000 0.234 397 R C 2.162 178.465 176.300 0.004 0.000 1.134 397 R CA 1.466 57.568 56.100 0.003 0.000 0.952 397 R CB -0.779 29.523 30.300 0.004 0.000 0.850 397 R HN 0.342 nan 8.270 nan 0.000 0.433 398 I N 0.847 121.414 120.570 -0.006 0.000 2.118 398 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 398 I C 1.789 177.908 176.117 0.005 0.000 1.070 398 I CA 1.643 62.940 61.300 -0.005 0.000 1.327 398 I CB -0.491 37.494 38.000 -0.026 0.000 1.034 398 I HN 0.289 nan 8.210 nan 0.000 0.405 399 N N 0.423 119.126 118.700 0.004 0.000 2.166 399 N HA -0.242 4.498 4.740 -0.000 0.000 0.186 399 N C 1.816 177.339 175.510 0.021 0.000 1.019 399 N CA 1.182 54.241 53.050 0.014 0.000 0.856 399 N CB -0.350 38.144 38.487 0.012 0.000 0.993 399 N HN 0.497 nan 8.380 nan 0.000 0.426 400 Q N 0.943 120.753 119.800 0.017 0.000 2.050 400 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 400 Q C 2.186 178.202 176.000 0.026 0.000 0.980 400 Q CA 1.002 56.817 55.803 0.020 0.000 0.840 400 Q CB -0.066 28.682 28.738 0.016 0.000 0.898 400 Q HN 0.348 nan 8.270 nan 0.000 0.424 401 L N 0.456 121.694 121.223 0.025 0.000 2.012 401 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 401 L C 2.609 179.500 176.870 0.035 0.000 1.073 401 L CA 0.928 55.786 54.840 0.030 0.000 0.748 401 L CB -0.499 41.578 42.059 0.029 0.000 0.891 401 L HN 0.331 nan 8.230 nan 0.000 0.431 402 L N -0.079 121.164 121.223 0.034 0.000 2.012 402 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 402 L C 2.298 179.202 176.870 0.057 0.000 1.073 402 L CA 1.361 56.225 54.840 0.041 0.000 0.748 402 L CB -0.509 41.572 42.059 0.036 0.000 0.891 402 L HN 0.409 nan 8.230 nan 0.000 0.431 403 N N -0.288 118.447 118.700 0.059 0.000 2.381 403 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 403 N C 1.459 177.010 175.510 0.069 0.000 1.025 403 N CA 0.896 53.993 53.050 0.078 0.000 0.888 403 N CB -0.038 38.489 38.487 0.066 0.000 0.965 403 N HN 0.464 nan 8.380 nan 0.000 0.438 404 E N 0.156 120.387 120.200 0.051 0.000 2.447 404 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 404 E C 0.392 177.024 176.600 0.053 0.000 1.028 404 E CA -0.132 56.295 56.400 0.044 0.000 0.876 404 E CB 0.303 30.024 29.700 0.034 0.000 0.885 404 E HN 0.248 nan 8.360 nan 0.000 0.500 405 S N -0.104 115.630 115.700 0.057 0.000 2.614 405 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 405 S C 0.879 175.519 174.600 0.067 0.000 1.303 405 S CA -0.527 57.707 58.200 0.055 0.000 1.000 405 S CB 0.924 64.152 63.200 0.046 0.000 0.935 405 S HN 0.145 nan 8.310 nan 0.000 0.551 406 L N 0.642 121.898 121.223 0.055 0.000 2.585 406 L HA 0.152 4.492 4.340 -0.000 0.000 0.226 406 L C 1.803 178.697 176.870 0.040 0.000 1.113 406 L CA -0.056 54.818 54.840 0.055 0.000 0.876 406 L CB -0.326 41.756 42.059 0.038 0.000 1.072 406 L HN 0.600 nan 8.230 nan 0.000 0.468 407 M N 0.019 119.639 119.600 0.034 0.000 2.549 407 M HA -0.044 4.436 4.480 -0.000 0.000 0.260 407 M C 1.834 178.150 176.300 0.026 0.000 1.076 407 M CA 1.320 56.634 55.300 0.023 0.000 1.090 407 M CB -0.632 31.980 32.600 0.021 0.000 1.418 407 M HN 0.290 nan 8.290 nan 0.000 0.486 408 L N -1.308 119.939 121.223 0.040 0.000 2.591 408 L HA 0.029 4.369 4.340 -0.000 0.000 0.228 408 L C 2.175 179.056 176.870 0.019 0.000 1.133 408 L CA -0.278 54.579 54.840 0.029 0.000 0.880 408 L CB -0.407 41.675 42.059 0.039 0.000 1.033 408 L HN 0.025 nan 8.230 nan 0.000 0.450 409 V N 0.212 120.146 119.914 0.033 0.000 2.568 409 V HA -0.284 3.836 4.120 -0.000 0.000 0.253 409 V C 2.334 178.427 176.094 -0.002 0.000 1.072 409 V CA 2.506 64.824 62.300 0.030 0.000 1.084 409 V CB -0.243 31.593 31.823 0.021 0.000 0.676 409 V HN 0.545 nan 8.190 nan 0.000 0.469 410 T N 0.675 115.224 114.554 -0.008 0.000 2.778 410 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 410 T C 1.925 176.614 174.700 -0.018 0.000 1.050 410 T CA 1.537 63.630 62.100 -0.012 0.000 1.137 410 T CB -0.527 68.340 68.868 -0.001 0.000 0.860 410 T HN 0.697 nan 8.240 nan 0.000 0.468 411 A N 0.831 123.644 122.820 -0.011 0.000 2.121 411 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 411 A C 2.170 179.780 177.584 0.043 0.000 1.154 411 A CA 0.824 52.862 52.037 0.002 0.000 0.679 411 A CB -0.651 18.351 19.000 0.003 0.000 0.795 411 A HN 0.519 nan 8.150 nan 0.000 0.458 412 L N -0.991 120.255 121.223 0.038 0.000 2.270 412 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 412 L C 2.055 178.908 176.870 -0.028 0.000 1.104 412 L CA 0.442 55.333 54.840 0.084 0.000 0.804 412 L CB -0.576 41.551 42.059 0.114 0.000 0.937 412 L HN 0.271 nan 8.230 nan 0.000 0.450 413 N N 0.452 119.113 118.700 -0.064 0.000 2.049 413 N HA -0.231 4.509 4.740 -0.000 0.000 0.198 413 N C 1.881 177.286 175.510 -0.175 0.000 1.030 413 N CA 2.361 55.363 53.050 -0.080 0.000 0.870 413 N CB -0.806 37.664 38.487 -0.027 0.000 1.045 413 N HN 0.395 nan 8.380 nan 0.000 0.434 414 T N -2.939 111.424 114.554 -0.318 0.000 3.025 414 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 414 T C 1.260 175.582 174.700 -0.630 0.000 1.126 414 T CA 1.288 63.108 62.100 -0.466 0.000 1.105 414 T CB -0.359 68.164 68.868 -0.574 0.000 0.884 414 T HN 0.421 nan 8.240 nan 0.000 0.522 415 H N 0.972 119.806 119.070 -0.394 0.000 2.422 415 H HA 0.418 4.974 4.556 -0.000 0.000 0.303 415 H C 2.038 177.151 175.328 -0.360 0.000 1.033 415 H CA 0.906 56.596 56.048 -0.597 0.000 1.335 415 H CB 0.197 29.137 29.762 -1.370 0.000 1.458 415 H HN 0.485 nan 8.280 nan 0.000 0.556 416 I N -2.409 118.090 120.570 -0.119 0.000 4.082 416 I HA 0.512 4.682 4.170 -0.000 0.000 0.337 416 I C 0.411 176.486 176.117 -0.070 0.000 1.352 416 I CA 0.113 61.377 61.300 -0.059 0.000 1.097 416 I CB 0.747 38.757 38.000 0.018 0.000 1.048 416 I HN 0.257 nan 8.210 nan 0.000 0.393 417 G N 1.466 110.226 108.800 -0.067 0.000 2.712 417 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.686 417 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.686 417 G C -0.229 174.685 174.900 0.024 0.000 1.321 417 G CA 0.084 45.171 45.100 -0.021 0.000 0.813 417 G HN 0.342 nan 8.290 nan 0.000 0.599 418 Y N 0.615 120.884 120.300 -0.051 0.000 2.128 418 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 418 Y C 2.576 178.469 175.900 -0.012 0.000 1.154 418 Y CA 2.747 60.829 58.100 -0.029 0.000 1.149 418 Y CB 0.004 38.446 38.460 -0.030 0.000 0.976 418 Y HN 0.622 nan 8.280 nan 0.000 0.505 419 D N 0.165 120.682 120.400 0.196 0.000 2.104 419 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 419 D C 1.990 178.292 176.300 0.003 0.000 0.994 419 D CA 1.698 55.765 54.000 0.112 0.000 0.830 419 D CB -0.203 40.659 40.800 0.103 0.000 0.959 419 D HN 0.435 nan 8.370 nan 0.000 0.452 420 K N 0.629 121.005 120.400 -0.040 0.000 2.097 420 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 420 K C 2.209 178.831 176.600 0.036 0.000 1.050 420 K CA 0.858 57.110 56.287 -0.058 0.000 0.938 420 K CB -0.018 32.314 32.500 -0.280 0.000 0.718 420 K HN 0.000 nan 8.250 nan 0.000 0.442 421 A N 1.607 124.405 122.820 -0.036 0.000 1.877 421 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 421 A C 2.373 179.901 177.584 -0.094 0.000 1.186 421 A CA 1.957 53.968 52.037 -0.045 0.000 0.620 421 A CB -0.724 18.206 19.000 -0.117 0.000 0.822 421 A HN 0.334 nan 8.150 nan 0.000 0.443 422 A N -0.575 122.105 122.820 -0.234 0.000 1.972 422 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 422 A C 2.018 179.577 177.584 -0.041 0.000 1.169 422 A CA 1.784 53.694 52.037 -0.212 0.000 0.635 422 A CB -0.504 18.303 19.000 -0.320 0.000 0.810 422 A HN 0.692 nan 8.150 nan 0.000 0.446 423 E N -0.127 120.088 120.200 0.025 0.000 2.077 423 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 423 E C 1.854 178.511 176.600 0.096 0.000 0.989 423 E CA 1.246 57.701 56.400 0.091 0.000 0.800 423 E CB -0.211 29.597 29.700 0.180 0.000 0.746 423 E HN 0.675 nan 8.360 nan 0.000 0.452 424 I N 0.926 121.570 120.570 0.123 0.000 2.226 424 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 424 I C 2.598 178.762 176.117 0.078 0.000 1.100 424 I CA 1.011 62.378 61.300 0.111 0.000 1.374 424 I CB -0.361 37.741 38.000 0.169 0.000 1.057 424 I HN 0.184 nan 8.210 nan 0.000 0.413 425 A N 0.849 123.703 122.820 0.058 0.000 1.877 425 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 425 A C 2.332 179.959 177.584 0.071 0.000 1.186 425 A CA 1.771 53.837 52.037 0.048 0.000 0.620 425 A CB -0.505 18.494 19.000 -0.001 0.000 0.822 425 A HN 0.303 nan 8.150 nan 0.000 0.443 426 K N -0.480 119.957 120.400 0.061 0.000 2.063 426 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 426 K C 2.298 178.954 176.600 0.094 0.000 1.048 426 K CA 1.549 57.890 56.287 0.090 0.000 0.928 426 K CB -0.150 32.389 32.500 0.066 0.000 0.713 426 K HN 0.394 nan 8.250 nan 0.000 0.442 427 K N 0.802 121.238 120.400 0.059 0.000 2.002 427 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 427 K C 2.156 178.772 176.600 0.027 0.000 1.048 427 K CA 1.414 57.718 56.287 0.029 0.000 0.930 427 K CB -0.175 32.329 32.500 0.007 0.000 0.714 427 K HN 0.122 nan 8.250 nan 0.000 0.438 428 A N 0.771 123.618 122.820 0.045 0.000 1.892 428 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 428 A C 2.040 179.662 177.584 0.062 0.000 1.188 428 A CA 2.238 54.301 52.037 0.043 0.000 0.631 428 A CB -1.028 18.009 19.000 0.060 0.000 0.822 428 A HN 0.617 nan 8.150 nan 0.000 0.447 429 H N -0.330 118.743 119.070 0.005 0.000 2.321 429 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 429 H C 1.876 177.205 175.328 0.001 0.000 1.087 429 H CA 2.264 58.315 56.048 0.005 0.000 1.319 429 H CB -0.090 29.675 29.762 0.006 0.000 1.379 429 H HN 0.308 nan 8.280 nan 0.000 0.501 430 K N 0.473 120.787 120.400 -0.144 0.000 2.097 430 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 430 K C 1.905 178.420 176.600 -0.142 0.000 1.050 430 K CA 1.644 57.818 56.287 -0.189 0.000 0.938 430 K CB 0.103 32.568 32.500 -0.059 0.000 0.718 430 K HN 0.530 nan 8.250 nan 0.000 0.442 431 E N -0.919 119.230 120.200 -0.085 0.000 2.474 431 E HA 0.144 4.494 4.350 -0.000 0.000 0.195 431 E C 0.105 176.669 176.600 -0.060 0.000 1.039 431 E CA 0.222 56.584 56.400 -0.064 0.000 0.881 431 E CB 0.480 30.153 29.700 -0.044 0.000 0.970 431 E HN 0.352 nan 8.360 nan 0.000 0.486 432 G N 1.897 110.656 108.800 -0.068 0.000 2.272 432 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 432 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 432 G C -0.096 174.790 174.900 -0.024 0.000 1.067 432 G CA 0.256 45.330 45.100 -0.043 0.000 0.902 432 G HN 0.133 nan 8.290 nan 0.000 0.500 433 L N -0.442 120.771 121.223 -0.016 0.000 2.286 433 L HA 0.788 5.128 4.340 -0.000 0.000 0.265 433 L C 1.235 178.102 176.870 -0.005 0.000 1.012 433 L CA -0.745 54.084 54.840 -0.020 0.000 0.818 433 L CB 1.665 43.704 42.059 -0.032 0.000 1.337 433 L HN 0.331 nan 8.230 nan 0.000 0.438 434 T N -2.377 112.163 114.554 -0.023 0.000 2.849 434 T HA 0.337 4.687 4.350 -0.000 0.000 0.284 434 T C 1.229 175.918 174.700 -0.018 0.000 1.004 434 T CA -0.704 61.388 62.100 -0.013 0.000 1.021 434 T CB 0.918 69.758 68.868 -0.046 0.000 1.013 434 T HN 0.460 nan 8.240 nan 0.000 0.527 435 L N 0.363 121.611 121.223 0.042 0.000 2.042 435 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 435 L C 2.991 179.824 176.870 -0.061 0.000 1.076 435 L CA 1.679 56.584 54.840 0.109 0.000 0.749 435 L CB -0.570 41.678 42.059 0.316 0.000 0.893 435 L HN 0.838 nan 8.230 nan 0.000 0.432 436 K N 0.379 120.505 120.400 -0.458 0.000 2.026 436 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 436 K C 2.158 178.495 176.600 -0.439 0.000 1.048 436 K CA 1.352 57.034 56.287 -1.009 0.000 0.929 436 K CB -0.081 31.679 32.500 -1.234 0.000 0.713 436 K HN 0.254 nan 8.250 nan 0.000 0.439 437 A N 1.117 123.778 122.820 -0.265 0.000 1.902 437 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 437 A C 2.332 179.842 177.584 -0.124 0.000 1.181 437 A CA 1.962 53.900 52.037 -0.165 0.000 0.623 437 A CB -0.805 18.127 19.000 -0.113 0.000 0.818 437 A HN 0.504 nan 8.150 nan 0.000 0.443 438 A N -0.231 122.534 122.820 -0.092 0.000 1.898 438 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 438 A C 2.515 180.060 177.584 -0.065 0.000 1.181 438 A CA 2.016 54.017 52.037 -0.060 0.000 0.620 438 A CB -1.035 17.957 19.000 -0.014 0.000 0.819 438 A HN 1.064 nan 8.150 nan 0.000 0.442 439 A N -0.738 122.063 122.820 -0.031 0.000 1.902 439 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 439 A C 2.006 179.567 177.584 -0.038 0.000 1.181 439 A CA 1.750 53.807 52.037 0.033 0.000 0.623 439 A CB -0.495 18.606 19.000 0.169 0.000 0.818 439 A HN 0.394 nan 8.150 nan 0.000 0.443 440 L N -0.640 120.529 121.223 -0.090 0.000 2.109 440 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 440 L C 2.920 179.729 176.870 -0.101 0.000 1.086 440 L CA 1.652 56.437 54.840 -0.092 0.000 0.760 440 L CB -0.952 41.035 42.059 -0.120 0.000 0.910 440 L HN 0.386 nan 8.230 nan 0.000 0.437 441 A N -1.190 121.562 122.820 -0.113 0.000 1.933 441 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 441 A C 2.079 179.571 177.584 -0.154 0.000 1.175 441 A CA 1.351 53.321 52.037 -0.112 0.000 0.628 441 A CB -0.549 18.392 19.000 -0.099 0.000 0.814 441 A HN 0.296 nan 8.150 nan 0.000 0.444 442 L N -1.239 119.841 121.223 -0.238 0.000 2.313 442 L HA 0.183 4.523 4.340 -0.000 0.000 0.214 442 L C 1.843 178.462 176.870 -0.418 0.000 1.119 442 L CA 1.268 55.843 54.840 -0.443 0.000 0.809 442 L CB -0.994 40.584 42.059 -0.802 0.000 0.933 442 L HN 0.683 nan 8.230 nan 0.000 0.449 443 G N -2.035 106.638 108.800 -0.212 0.000 2.147 443 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.244 443 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.244 443 G C 0.719 175.683 174.900 0.107 0.000 1.005 443 G CA 0.473 45.540 45.100 -0.055 0.000 0.713 443 G HN 0.258 nan 8.290 nan 0.000 0.515 444 Y N -0.569 119.767 120.300 0.059 0.000 2.516 444 Y HA 0.396 4.946 4.550 -0.000 0.000 0.291 444 Y C 1.756 177.731 175.900 0.125 0.000 1.131 444 Y CA 0.875 59.031 58.100 0.094 0.000 1.281 444 Y CB -0.050 38.476 38.460 0.110 0.000 1.013 444 Y HN 0.751 nan 8.280 nan 0.000 0.554 445 L N -3.889 117.476 121.223 0.237 0.000 2.838 445 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 445 L C -0.341 176.541 176.870 0.021 0.000 1.040 445 L CA -1.310 53.607 54.840 0.128 0.000 0.906 445 L CB 1.606 43.759 42.059 0.156 0.000 1.501 445 L HN -0.227 nan 8.230 nan 0.000 0.407 446 S N -1.386 114.270 115.700 -0.074 0.000 2.693 446 S HA 0.307 4.777 4.470 -0.000 0.000 0.276 446 S C 0.669 175.210 174.600 -0.099 0.000 1.192 446 S CA 0.157 58.306 58.200 -0.084 0.000 0.994 446 S CB 1.744 64.884 63.200 -0.101 0.000 1.012 446 S HN 0.947 nan 8.310 nan 0.000 0.550 447 E N 0.894 121.044 120.200 -0.083 0.000 2.110 447 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 447 E C 2.093 178.656 176.600 -0.062 0.000 0.988 447 E CA 1.174 57.534 56.400 -0.066 0.000 0.804 447 E CB -0.583 29.071 29.700 -0.077 0.000 0.745 447 E HN 0.816 nan 8.360 nan 0.000 0.458 448 A N 1.162 123.916 122.820 -0.111 0.000 1.883 448 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 448 A C 1.945 179.369 177.584 -0.267 0.000 1.186 448 A CA 1.831 53.784 52.037 -0.140 0.000 0.624 448 A CB -0.571 18.352 19.000 -0.129 0.000 0.822 448 A HN 0.359 nan 8.150 nan 0.000 0.444 449 E N -1.519 118.420 120.200 -0.435 0.000 2.077 449 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 449 E C 1.792 177.853 176.600 -0.899 0.000 0.989 449 E CA 1.241 57.045 56.400 -0.993 0.000 0.800 449 E CB -0.292 28.607 29.700 -1.335 0.000 0.746 449 E HN 0.677 nan 8.360 nan 0.000 0.452 450 F N 2.534 122.179 119.950 -0.507 0.000 2.069 450 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 450 F C 1.821 177.540 175.800 -0.134 0.000 1.113 450 F CA 1.809 59.686 58.000 -0.205 0.000 1.214 450 F CB -0.077 38.863 39.000 -0.100 0.000 0.978 450 F HN -0.089 nan 8.300 nan 0.000 0.474 451 D N -0.439 120.026 120.400 0.109 0.000 2.221 451 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 451 D C 2.367 178.640 176.300 -0.046 0.000 0.982 451 D CA 1.561 55.596 54.000 0.058 0.000 0.857 451 D CB -0.297 40.530 40.800 0.045 0.000 0.934 451 D HN 0.288 nan 8.370 nan 0.000 0.475 452 S N -0.433 115.181 115.700 -0.143 0.000 2.439 452 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 452 S C 1.595 176.223 174.600 0.047 0.000 1.029 452 S CA 0.092 58.239 58.200 -0.088 0.000 0.946 452 S CB 0.087 63.192 63.200 -0.159 0.000 0.797 452 S HN 0.331 nan 8.310 nan 0.000 0.504 453 W N 1.218 122.391 121.300 -0.211 0.000 2.441 453 W HA 0.308 4.968 4.660 -0.000 0.000 0.302 453 W C 1.168 177.573 176.519 -0.190 0.000 1.191 453 W CA -0.397 56.786 57.345 -0.270 0.000 1.327 453 W CB -1.098 28.087 29.460 -0.459 0.000 1.128 453 W HN 0.013 nan 8.180 nan 0.000 0.522 454 V N 4.644 124.502 119.914 -0.094 0.000 2.267 454 V HA 0.314 4.434 4.120 -0.000 0.000 0.254 454 V C -0.384 175.665 176.094 -0.075 0.000 1.144 454 V CA -0.325 61.873 62.300 -0.170 0.000 0.992 454 V CB -0.498 31.036 31.823 -0.482 0.000 1.199 454 V HN -0.162 nan 8.190 nan 0.000 0.493 455 R N 8.070 128.565 120.500 -0.008 0.000 2.278 455 R HA 0.399 4.739 4.340 -0.000 0.000 0.322 455 R C -1.753 174.554 176.300 0.011 0.000 1.058 455 R CA -2.815 53.291 56.100 0.010 0.000 0.991 455 R CB 1.057 31.374 30.300 0.028 0.000 1.140 455 R HN 0.433 nan 8.270 nan 0.000 0.518 456 P HA -0.220 nan 4.420 nan 0.000 0.220 456 P C 0.689 177.997 177.300 0.012 0.000 1.144 456 P CA 1.164 64.271 63.100 0.012 0.000 0.800 456 P CB 0.395 32.105 31.700 0.017 0.000 0.772 457 E N 1.296 121.504 120.200 0.015 0.000 2.265 457 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 457 E C 0.826 177.434 176.600 0.012 0.000 0.996 457 E CA 0.996 57.405 56.400 0.014 0.000 0.832 457 E CB -0.847 28.863 29.700 0.016 0.000 0.756 457 E HN 0.452 nan 8.360 nan 0.000 0.491 458 Q N 1.469 121.277 119.800 0.013 0.000 2.296 458 Q HA 0.226 4.566 4.340 -0.000 0.000 0.273 458 Q C 0.939 176.942 176.000 0.005 0.000 0.900 458 Q CA -0.278 55.531 55.803 0.010 0.000 0.993 458 Q CB -0.114 28.633 28.738 0.015 0.000 1.132 458 Q HN 0.314 nan 8.270 nan 0.000 0.439 459 M N 0.000 119.603 119.600 0.005 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.302 55.300 0.003 0.000 0.988 459 M CB 0.000 32.602 32.600 0.004 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411