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 1fup_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 -0.026 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 N N 1.037 119.726 118.700 -0.018 0.000 2.354 2 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 2 N C -0.175 175.323 175.510 -0.021 0.000 1.021 2 N CA 0.614 53.656 53.050 -0.014 0.000 0.887 2 N CB 0.049 38.532 38.487 -0.008 0.000 0.974 2 N HN 0.638 nan 8.380 nan 0.000 0.437 3 T N 2.085 116.622 114.554 -0.028 0.000 2.902 3 T HA 0.234 4.584 4.350 -0.000 0.000 0.301 3 T C 0.751 175.425 174.700 -0.045 0.000 1.012 3 T CA -0.277 61.803 62.100 -0.033 0.000 1.151 3 T CB 0.779 69.626 68.868 -0.035 0.000 0.946 3 T HN 0.022 nan 8.240 nan 0.000 0.542 4 V N 1.920 121.811 119.914 -0.038 0.000 3.193 4 V HA 0.802 4.922 4.120 -0.000 0.000 0.320 4 V C -0.144 175.921 176.094 -0.048 0.000 1.112 4 V CA -1.374 60.900 62.300 -0.045 0.000 1.026 4 V CB 1.729 33.537 31.823 -0.025 0.000 1.128 4 V HN 0.843 nan 8.190 nan 0.000 0.452 5 R N 0.540 121.008 120.500 -0.055 0.000 2.686 5 R HA 0.597 4.937 4.340 -0.000 0.000 0.283 5 R C -0.912 175.369 176.300 -0.032 0.000 0.978 5 R CA -0.287 55.783 56.100 -0.050 0.000 0.897 5 R CB 2.186 32.440 30.300 -0.076 0.000 1.192 5 R HN 0.920 nan 8.270 nan 0.000 0.457 6 S N 2.320 118.008 115.700 -0.020 0.000 2.411 6 S HA 0.236 4.706 4.470 -0.000 0.000 0.294 6 S C -0.757 173.842 174.600 -0.002 0.000 1.115 6 S CA -0.472 57.724 58.200 -0.007 0.000 1.071 6 S CB 0.559 63.757 63.200 -0.003 0.000 0.967 6 S HN 0.501 nan 8.310 nan 0.000 0.488 7 E N 2.814 123.018 120.200 0.008 0.000 2.235 7 E HA 0.524 4.874 4.350 -0.000 0.000 0.265 7 E C -0.585 176.030 176.600 0.024 0.000 0.940 7 E CA -0.682 55.728 56.400 0.018 0.000 0.819 7 E CB 2.015 31.733 29.700 0.030 0.000 1.206 7 E HN 0.742 nan 8.360 nan 0.000 0.409 8 K N 0.104 120.521 120.400 0.027 0.000 2.536 8 K HA 0.492 4.812 4.320 -0.000 0.000 0.269 8 K C -1.412 175.204 176.600 0.026 0.000 0.965 8 K CA -0.770 55.532 56.287 0.025 0.000 0.860 8 K CB 1.887 34.398 32.500 0.018 0.000 1.423 8 K HN 0.363 nan 8.250 nan 0.000 0.438 9 D N 0.158 120.572 120.400 0.023 0.000 2.781 9 D HA 0.240 4.880 4.640 -0.000 0.000 0.295 9 D C 0.258 176.567 176.300 0.016 0.000 1.143 9 D CA -0.789 53.223 54.000 0.021 0.000 1.076 9 D CB 0.672 41.487 40.800 0.025 0.000 1.444 9 D HN 0.340 nan 8.370 nan 0.000 0.567 10 S N -0.775 114.934 115.700 0.014 0.000 2.402 10 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 10 S C 1.614 176.223 174.600 0.014 0.000 1.030 10 S CA 1.414 59.621 58.200 0.011 0.000 1.003 10 S CB -0.434 62.772 63.200 0.010 0.000 0.813 10 S HN 0.537 nan 8.310 nan 0.000 0.477 11 M N 0.415 120.027 119.600 0.020 0.000 2.558 11 M HA 0.188 4.668 4.480 -0.000 0.000 0.255 11 M C 0.854 177.167 176.300 0.022 0.000 1.113 11 M CA 0.664 55.979 55.300 0.024 0.000 1.097 11 M CB 0.070 32.691 32.600 0.035 0.000 1.426 11 M HN 0.434 nan 8.290 nan 0.000 0.488 12 G N -0.193 108.618 108.800 0.019 0.000 2.293 12 G HA2 0.232 4.192 3.960 -0.000 0.000 0.282 12 G HA3 0.232 4.192 3.960 -0.000 0.000 0.282 12 G C -1.645 173.265 174.900 0.018 0.000 1.299 12 G CA -0.520 44.590 45.100 0.017 0.000 1.018 12 G HN 0.471 nan 8.290 nan 0.000 0.478 13 A N -0.562 122.267 122.820 0.016 0.000 2.303 13 A HA 0.892 5.212 4.320 -0.000 0.000 0.317 13 A C -0.258 177.337 177.584 0.019 0.000 1.149 13 A CA -0.074 51.973 52.037 0.016 0.000 0.822 13 A CB 1.105 20.112 19.000 0.012 0.000 1.131 13 A HN 1.916 nan 8.150 nan 0.000 0.493 14 I N 0.661 121.243 120.570 0.021 0.000 2.827 14 I HA 0.311 4.481 4.170 -0.000 0.000 0.298 14 I C -1.542 174.591 176.117 0.027 0.000 1.235 14 I CA -0.776 60.538 61.300 0.024 0.000 1.021 14 I CB 2.159 40.174 38.000 0.026 0.000 1.259 14 I HN 0.576 nan 8.210 nan 0.000 0.427 15 D N 5.742 126.157 120.400 0.026 0.000 2.308 15 D HA 0.398 5.038 4.640 -0.000 0.000 0.251 15 D C -0.662 175.659 176.300 0.035 0.000 1.127 15 D CA 0.163 54.174 54.000 0.019 0.000 0.876 15 D CB 2.049 42.856 40.800 0.012 0.000 1.176 15 D HN 0.114 nan 8.370 nan 0.000 0.446 16 V N 4.155 124.070 119.914 0.002 0.000 2.680 16 V HA 0.330 4.450 4.120 -0.000 0.000 0.309 16 V C -2.240 173.779 176.094 -0.125 0.000 1.052 16 V CA -1.860 60.422 62.300 -0.029 0.000 0.908 16 V CB 2.362 34.138 31.823 -0.079 0.000 1.001 16 V HN 0.429 nan 8.190 nan 0.000 0.431 17 P HA 0.045 nan 4.420 nan 0.000 0.263 17 P C 0.549 177.699 177.300 -0.250 0.000 1.195 17 P CA 0.233 63.217 63.100 -0.193 0.000 0.762 17 P CB 1.006 32.575 31.700 -0.217 0.000 0.799 18 A N 4.748 127.471 122.820 -0.162 0.000 1.986 18 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 18 A C 1.636 179.116 177.584 -0.174 0.000 1.171 18 A CA 2.038 53.986 52.037 -0.148 0.000 0.640 18 A CB -1.038 17.905 19.000 -0.095 0.000 0.811 18 A HN 0.636 nan 8.150 nan 0.000 0.451 19 D N -1.098 119.194 120.400 -0.179 0.000 2.363 19 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 19 D C 0.110 176.261 176.300 -0.249 0.000 1.020 19 D CA 0.417 54.315 54.000 -0.170 0.000 0.892 19 D CB 0.022 40.749 40.800 -0.121 0.000 0.900 19 D HN 0.104 nan 8.370 nan 0.000 0.531 20 K N 0.515 120.672 120.400 -0.406 0.000 2.156 20 K HA 0.356 4.676 4.320 -0.000 0.000 0.250 20 K C 0.991 177.286 176.600 -0.509 0.000 0.955 20 K CA -0.758 55.163 56.287 -0.611 0.000 0.855 20 K CB 2.277 33.987 32.500 -1.316 0.000 1.101 20 K HN -0.008 nan 8.250 nan 0.000 0.434 21 L N 0.602 121.589 121.223 -0.392 0.000 2.558 21 L HA 0.081 4.421 4.340 -0.000 0.000 0.225 21 L C 0.579 177.369 176.870 -0.134 0.000 1.128 21 L CA -0.096 54.597 54.840 -0.244 0.000 0.868 21 L CB -0.060 41.862 42.059 -0.228 0.000 1.006 21 L HN 0.571 nan 8.230 nan 0.000 0.454 22 W N -0.218 120.990 121.300 -0.154 0.000 1.966 22 W HA 0.584 5.244 4.660 -0.000 0.000 0.367 22 W C 0.584 177.056 176.519 -0.079 0.000 1.451 22 W CA -0.520 56.747 57.345 -0.131 0.000 1.538 22 W CB -0.363 29.010 29.460 -0.145 0.000 1.251 22 W HN -0.177 nan 8.180 nan 0.000 0.671 23 G N -1.161 107.842 108.800 0.338 0.000 3.217 23 G HA2 0.471 4.431 3.960 -0.000 0.000 0.213 23 G HA3 0.471 4.431 3.960 -0.000 0.000 0.213 23 G C 0.535 175.564 174.900 0.215 0.000 1.294 23 G CA -0.473 44.746 45.100 0.198 0.000 0.987 23 G HN 0.946 nan 8.290 nan 0.000 0.584 24 A N -0.829 122.059 122.820 0.114 0.000 1.883 24 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 24 A C 2.234 179.849 177.584 0.051 0.000 1.186 24 A CA 2.251 54.335 52.037 0.079 0.000 0.624 24 A CB -0.796 18.233 19.000 0.049 0.000 0.822 24 A HN 0.625 nan 8.150 nan 0.000 0.444 25 Q N -1.092 118.732 119.800 0.039 0.000 2.084 25 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 25 Q C 2.189 178.169 176.000 -0.032 0.000 0.978 25 Q CA 1.875 57.682 55.803 0.007 0.000 0.844 25 Q CB -0.407 28.339 28.738 0.013 0.000 0.898 25 Q HN 0.691 nan 8.270 nan 0.000 0.426 26 T N 0.698 115.227 114.554 -0.043 0.000 2.788 26 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 26 T C 1.731 176.276 174.700 -0.258 0.000 1.044 26 T CA 1.405 63.386 62.100 -0.199 0.000 1.139 26 T CB -0.136 68.537 68.868 -0.326 0.000 0.867 26 T HN 0.162 nan 8.240 nan 0.000 0.454 27 Q N 1.190 120.948 119.800 -0.071 0.000 2.119 27 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 27 Q C 2.315 178.260 176.000 -0.092 0.000 0.972 27 Q CA 1.490 57.299 55.803 0.010 0.000 0.847 27 Q CB -0.134 28.706 28.738 0.170 0.000 0.903 27 Q HN 0.431 nan 8.270 nan 0.000 0.433 28 R N -0.821 119.600 120.500 -0.132 0.000 2.075 28 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 28 R C 2.436 178.509 176.300 -0.378 0.000 1.126 28 R CA 1.459 57.367 56.100 -0.319 0.000 0.963 28 R CB -0.244 29.921 30.300 -0.225 0.000 0.858 28 R HN 0.184 nan 8.270 nan 0.000 0.435 29 S N 1.383 117.014 115.700 -0.116 0.000 2.368 29 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 29 S C 1.831 176.489 174.600 0.097 0.000 1.030 29 S CA 0.874 59.135 58.200 0.101 0.000 0.999 29 S CB -0.256 62.959 63.200 0.026 0.000 0.844 29 S HN 0.135 nan 8.310 nan 0.000 0.459 30 L N 1.995 123.177 121.223 -0.067 0.000 2.079 30 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 30 L C 1.917 178.781 176.870 -0.011 0.000 1.081 30 L CA 1.795 56.594 54.840 -0.069 0.000 0.752 30 L CB -0.564 41.394 42.059 -0.168 0.000 0.896 30 L HN 0.287 nan 8.230 nan 0.000 0.433 31 E N -2.338 117.825 120.200 -0.062 0.000 2.385 31 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 31 E C 1.442 178.088 176.600 0.077 0.000 1.013 31 E CA 0.309 56.697 56.400 -0.021 0.000 0.866 31 E CB 0.087 29.752 29.700 -0.058 0.000 0.832 31 E HN 0.558 nan 8.360 nan 0.000 0.500 32 H N -1.269 117.750 119.070 -0.086 0.000 2.582 32 H HA 0.142 4.698 4.556 -0.000 0.000 0.269 32 H C 0.009 174.976 175.328 -0.602 0.000 0.962 32 H CA 0.218 56.062 56.048 -0.341 0.000 1.230 32 H CB 0.302 29.800 29.762 -0.440 0.000 1.445 32 H HN 0.035 nan 8.280 nan 0.000 0.528 33 F N 0.859 120.873 119.950 0.107 0.000 2.627 33 F HA 0.346 4.873 4.527 -0.000 0.000 0.329 33 F C 0.383 176.220 175.800 0.062 0.000 1.378 33 F CA -0.510 57.534 58.000 0.073 0.000 1.134 33 F CB 0.397 39.429 39.000 0.054 0.000 1.229 33 F HN -0.283 nan 8.300 nan 0.000 0.537 34 R N 1.905 122.482 120.500 0.128 0.000 3.268 34 R HA 0.389 4.729 4.340 -0.000 0.000 0.217 34 R C -0.629 175.737 176.300 0.111 0.000 1.568 34 R CA 0.069 56.231 56.100 0.104 0.000 1.322 34 R CB -0.084 30.251 30.300 0.058 0.000 1.280 34 R HN 0.397 nan 8.270 nan 0.000 0.667 35 I N 0.937 121.614 120.570 0.177 0.000 2.410 35 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 35 I C 0.569 176.812 176.117 0.210 0.000 1.009 35 I CA -0.221 61.177 61.300 0.165 0.000 1.111 35 I CB 1.667 39.793 38.000 0.210 0.000 1.262 35 I HN 0.532 nan 8.210 nan 0.000 0.443 36 S N 4.092 119.851 115.700 0.098 0.000 3.245 36 S HA -0.269 4.201 4.470 -0.000 0.000 0.631 36 S C 1.019 175.709 174.600 0.151 0.000 2.821 36 S CA 1.626 59.891 58.200 0.108 0.000 3.266 36 S CB -0.750 62.505 63.200 0.091 0.000 0.314 36 S HN 0.984 nan 8.310 nan 0.000 1.621 37 T N -1.470 113.184 114.554 0.168 0.000 3.016 37 T HA 0.464 4.814 4.350 -0.000 0.000 0.271 37 T C -0.120 174.652 174.700 0.120 0.000 0.968 37 T CA 0.462 62.639 62.100 0.127 0.000 0.891 37 T CB 0.102 69.028 68.868 0.098 0.000 1.149 37 T HN 0.512 nan 8.240 nan 0.000 0.524 38 E N 2.567 122.861 120.200 0.157 0.000 2.324 38 E HA 0.451 4.801 4.350 -0.000 0.000 0.271 38 E C 0.018 176.570 176.600 -0.080 0.000 1.028 38 E CA -0.042 56.379 56.400 0.033 0.000 0.890 38 E CB 0.612 30.271 29.700 -0.069 0.000 1.004 38 E HN 0.238 nan 8.360 nan 0.000 0.431 39 K N 1.956 122.328 120.400 -0.047 0.000 2.346 39 K HA 0.455 4.775 4.320 -0.000 0.000 0.238 39 K C 0.118 176.689 176.600 -0.049 0.000 1.039 39 K CA -1.054 55.200 56.287 -0.056 0.000 0.861 39 K CB 0.755 33.260 32.500 0.008 0.000 1.278 39 K HN 0.400 nan 8.250 nan 0.000 0.460 40 M N 2.025 121.604 119.600 -0.035 0.000 2.250 40 M HA 0.128 4.608 4.480 -0.000 0.000 0.337 40 M C -1.985 174.310 176.300 -0.008 0.000 1.161 40 M CA -1.460 53.832 55.300 -0.014 0.000 1.088 40 M CB -1.018 31.581 32.600 -0.003 0.000 1.639 40 M HN 0.145 nan 8.290 nan 0.000 0.447 41 P HA 0.134 nan 4.420 nan 0.000 0.271 41 P C 0.668 177.909 177.300 -0.098 0.000 1.218 41 P CA -0.024 63.059 63.100 -0.028 0.000 0.780 41 P CB 0.408 32.097 31.700 -0.018 0.000 0.901 42 T N 0.290 114.764 114.554 -0.133 0.000 2.759 42 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 42 T C 1.794 176.233 174.700 -0.434 0.000 1.042 42 T CA 2.188 64.121 62.100 -0.277 0.000 1.140 42 T CB -0.683 68.022 68.868 -0.271 0.000 0.864 42 T HN 0.605 nan 8.240 nan 0.000 0.455 43 S N 1.910 117.448 115.700 -0.272 0.000 2.382 43 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 43 S C 2.033 176.554 174.600 -0.131 0.000 1.027 43 S CA 0.538 58.622 58.200 -0.193 0.000 0.991 43 S CB -0.690 62.457 63.200 -0.088 0.000 0.823 43 S HN 0.328 nan 8.310 nan 0.000 0.469 44 L N 1.085 122.230 121.223 -0.129 0.000 2.056 44 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 44 L C 2.274 179.050 176.870 -0.158 0.000 1.078 44 L CA 1.582 56.340 54.840 -0.138 0.000 0.749 44 L CB -0.917 41.065 42.059 -0.127 0.000 0.901 44 L HN 0.264 nan 8.230 nan 0.000 0.433 45 I N 0.064 120.521 120.570 -0.187 0.000 2.163 45 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 45 I C 2.552 178.607 176.117 -0.103 0.000 1.085 45 I CA 1.498 62.638 61.300 -0.268 0.000 1.347 45 I CB -1.467 36.296 38.000 -0.396 0.000 1.044 45 I HN 0.423 nan 8.210 nan 0.000 0.408 46 H N 0.217 119.183 119.070 -0.172 0.000 2.387 46 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 46 H C 2.200 177.466 175.328 -0.102 0.000 1.090 46 H CA 0.946 56.928 56.048 -0.111 0.000 1.332 46 H CB 0.235 29.959 29.762 -0.064 0.000 1.386 46 H HN 0.354 nan 8.280 nan 0.000 0.516 47 A N 1.074 123.902 122.820 0.014 0.000 1.930 47 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 47 A C 2.386 179.912 177.584 -0.096 0.000 1.175 47 A CA 0.783 52.788 52.037 -0.053 0.000 0.627 47 A CB -0.642 18.307 19.000 -0.085 0.000 0.815 47 A HN 0.317 nan 8.150 nan 0.000 0.443 48 L N -0.889 120.268 121.223 -0.110 0.000 2.093 48 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 48 L C 2.991 179.825 176.870 -0.060 0.000 1.085 48 L CA 1.061 55.841 54.840 -0.100 0.000 0.755 48 L CB -0.333 41.665 42.059 -0.102 0.000 0.904 48 L HN 0.461 nan 8.230 nan 0.000 0.435 49 A N -0.326 122.461 122.820 -0.056 0.000 1.898 49 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 49 A C 2.158 179.721 177.584 -0.035 0.000 1.181 49 A CA 1.135 53.155 52.037 -0.029 0.000 0.620 49 A CB -0.590 18.390 19.000 -0.034 0.000 0.819 49 A HN 0.382 nan 8.150 nan 0.000 0.442 50 L N -0.576 120.617 121.223 -0.050 0.000 2.046 50 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 50 L C 2.799 179.622 176.870 -0.079 0.000 1.077 50 L CA 1.796 56.600 54.840 -0.061 0.000 0.747 50 L CB -0.716 41.303 42.059 -0.065 0.000 0.896 50 L HN 0.368 nan 8.230 nan 0.000 0.432 51 T N -0.784 113.714 114.554 -0.092 0.000 2.746 51 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 51 T C 1.922 176.593 174.700 -0.049 0.000 1.039 51 T CA 0.988 63.029 62.100 -0.098 0.000 1.142 51 T CB -0.034 68.771 68.868 -0.104 0.000 0.866 51 T HN 0.163 nan 8.240 nan 0.000 0.444 52 K N 1.024 121.412 120.400 -0.021 0.000 2.097 52 K HA 0.042 4.362 4.320 -0.000 0.000 0.205 52 K C 2.364 178.967 176.600 0.006 0.000 1.050 52 K CA 0.798 57.090 56.287 0.009 0.000 0.938 52 K CB -0.305 32.211 32.500 0.026 0.000 0.718 52 K HN 0.280 nan 8.250 nan 0.000 0.442 53 R N 0.708 121.202 120.500 -0.010 0.000 2.081 53 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 53 R C 2.140 178.429 176.300 -0.018 0.000 1.131 53 R CA 1.375 57.469 56.100 -0.010 0.000 0.960 53 R CB -0.106 30.182 30.300 -0.019 0.000 0.856 53 R HN 0.157 nan 8.270 nan 0.000 0.436 54 A N 0.547 123.344 122.820 -0.040 0.000 1.897 54 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 54 A C 2.307 179.863 177.584 -0.046 0.000 1.181 54 A CA 1.395 53.397 52.037 -0.059 0.000 0.620 54 A CB -0.617 18.321 19.000 -0.102 0.000 0.821 54 A HN 0.499 nan 8.150 nan 0.000 0.443 55 A N -0.015 122.797 122.820 -0.014 0.000 1.933 55 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 55 A C 2.473 180.113 177.584 0.094 0.000 1.175 55 A CA 2.112 54.192 52.037 0.072 0.000 0.628 55 A CB -0.931 18.142 19.000 0.122 0.000 0.814 55 A HN 0.982 nan 8.150 nan 0.000 0.444 56 A N -0.047 122.802 122.820 0.048 0.000 1.855 56 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 56 A C 2.075 179.676 177.584 0.028 0.000 1.191 56 A CA 2.327 54.387 52.037 0.039 0.000 0.613 56 A CB -0.470 18.545 19.000 0.024 0.000 0.829 56 A HN 0.444 nan 8.150 nan 0.000 0.442 57 K N 0.033 120.439 120.400 0.011 0.000 2.020 57 K HA -0.117 4.203 4.320 -0.000 0.000 0.212 57 K C 1.673 178.275 176.600 0.002 0.000 1.050 57 K CA 2.201 58.488 56.287 -0.000 0.000 0.929 57 K CB -0.910 31.582 32.500 -0.013 0.000 0.714 57 K HN 0.181 nan 8.250 nan 0.000 0.443 58 V N 1.172 121.087 119.914 0.003 0.000 2.427 58 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 58 V C 1.955 178.082 176.094 0.056 0.000 1.051 58 V CA 2.171 64.475 62.300 0.008 0.000 1.048 58 V CB -0.709 31.087 31.823 -0.045 0.000 0.666 58 V HN 0.437 nan 8.190 nan 0.000 0.456 59 N N -0.386 118.372 118.700 0.096 0.000 2.166 59 N HA -0.213 4.527 4.740 -0.000 0.000 0.186 59 N C 1.986 177.509 175.510 0.022 0.000 1.019 59 N CA 1.229 54.323 53.050 0.074 0.000 0.856 59 N CB -0.019 38.512 38.487 0.072 0.000 0.993 59 N HN 0.596 nan 8.380 nan 0.000 0.426 60 E N 0.895 121.105 120.200 0.017 0.000 2.047 60 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 60 E C 0.902 177.497 176.600 -0.008 0.000 0.987 60 E CA 1.144 57.546 56.400 0.004 0.000 0.799 60 E CB 0.148 29.850 29.700 0.004 0.000 0.752 60 E HN 0.270 nan 8.360 nan 0.000 0.449 61 D N 0.552 120.944 120.400 -0.013 0.000 2.149 61 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 61 D C 1.715 177.985 176.300 -0.051 0.000 0.990 61 D CA 0.934 54.918 54.000 -0.027 0.000 0.839 61 D CB -0.080 40.702 40.800 -0.030 0.000 0.948 61 D HN 0.297 nan 8.370 nan 0.000 0.460 62 L N -0.418 120.761 121.223 -0.073 0.000 2.627 62 L HA 0.206 4.546 4.340 -0.000 0.000 0.232 62 L C 1.348 178.177 176.870 -0.069 0.000 1.150 62 L CA 0.114 54.870 54.840 -0.139 0.000 0.917 62 L CB -0.235 41.669 42.059 -0.259 0.000 1.104 62 L HN 0.042 nan 8.230 nan 0.000 0.445 63 G N 0.601 109.382 108.800 -0.032 0.000 2.203 63 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.263 63 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.263 63 G C 0.763 175.660 174.900 -0.004 0.000 1.012 63 G CA 0.505 45.599 45.100 -0.011 0.000 0.749 63 G HN 0.422 nan 8.290 nan 0.000 0.512 64 L N -1.446 119.773 121.223 -0.007 0.000 2.446 64 L HA 0.424 4.764 4.340 -0.000 0.000 0.219 64 L C 1.373 178.246 176.870 0.005 0.000 1.116 64 L CA 0.437 55.277 54.840 -0.001 0.000 0.844 64 L CB 0.127 42.180 42.059 -0.009 0.000 0.970 64 L HN 0.261 nan 8.230 nan 0.000 0.457 65 L N -0.227 121.001 121.223 0.007 0.000 2.401 65 L HA 0.340 4.680 4.340 -0.000 0.000 0.266 65 L C 0.040 176.916 176.870 0.009 0.000 0.991 65 L CA -0.633 54.213 54.840 0.011 0.000 0.818 65 L CB 2.463 44.531 42.059 0.016 0.000 1.321 65 L HN 0.035 nan 8.230 nan 0.000 0.413 66 S N 1.046 116.752 115.700 0.010 0.000 2.549 66 S HA 0.011 4.481 4.470 -0.000 0.000 0.283 66 S C 0.932 175.535 174.600 0.005 0.000 1.320 66 S CA -0.395 57.809 58.200 0.007 0.000 1.058 66 S CB 1.417 64.621 63.200 0.008 0.000 0.882 66 S HN 0.755 nan 8.310 nan 0.000 0.498 67 E N 2.449 122.651 120.200 0.003 0.000 2.086 67 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 67 E C 1.509 178.109 176.600 0.001 0.000 1.012 67 E CA 2.130 58.532 56.400 0.002 0.000 0.812 67 E CB -0.282 29.419 29.700 0.001 0.000 0.743 67 E HN 0.922 nan 8.360 nan 0.000 0.453 68 E N 0.073 120.273 120.200 0.000 0.000 2.051 68 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 68 E C 2.255 178.853 176.600 -0.004 0.000 0.991 68 E CA 1.387 57.785 56.400 -0.002 0.000 0.799 68 E CB -0.113 29.585 29.700 -0.003 0.000 0.748 68 E HN 0.059 nan 8.360 nan 0.000 0.449 69 K N 0.725 121.122 120.400 -0.004 0.000 2.057 69 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 69 K C 1.963 178.561 176.600 -0.002 0.000 1.049 69 K CA 1.195 57.477 56.287 -0.008 0.000 0.931 69 K CB -0.136 32.361 32.500 -0.005 0.000 0.714 69 K HN 0.110 nan 8.250 nan 0.000 0.440 70 A N 0.455 123.276 122.820 0.003 0.000 1.858 70 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 70 A C 2.153 179.740 177.584 0.005 0.000 1.190 70 A CA 2.307 54.348 52.037 0.007 0.000 0.617 70 A CB -1.096 17.909 19.000 0.008 0.000 0.827 70 A HN 0.515 nan 8.150 nan 0.000 0.443 71 S N 0.311 116.013 115.700 0.002 0.000 2.399 71 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 71 S C 2.070 176.672 174.600 0.003 0.000 1.022 71 S CA 1.408 59.610 58.200 0.002 0.000 0.983 71 S CB -0.718 62.483 63.200 0.001 0.000 0.803 71 S HN 0.905 nan 8.310 nan 0.000 0.480 72 A N 2.227 125.047 122.820 0.000 0.000 1.877 72 A HA 0.094 4.413 4.320 -0.000 0.000 0.216 72 A C 2.249 179.836 177.584 0.005 0.000 1.186 72 A CA 1.455 53.491 52.037 -0.000 0.000 0.620 72 A CB -0.873 18.121 19.000 -0.010 0.000 0.822 72 A HN 0.555 nan 8.150 nan 0.000 0.443 73 I N -1.239 119.333 120.570 0.004 0.000 2.208 73 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 73 I C 2.751 178.878 176.117 0.018 0.000 1.097 73 I CA 1.729 63.036 61.300 0.012 0.000 1.363 73 I CB -0.307 37.701 38.000 0.014 0.000 1.051 73 I HN 0.302 nan 8.210 nan 0.000 0.413 74 R N 0.500 121.007 120.500 0.013 0.000 2.091 74 R HA -0.237 4.103 4.340 -0.000 0.000 0.238 74 R C 2.380 178.688 176.300 0.014 0.000 1.136 74 R CA 1.645 57.752 56.100 0.010 0.000 0.959 74 R CB -0.203 30.100 30.300 0.005 0.000 0.856 74 R HN 0.383 nan 8.270 nan 0.000 0.437 75 Q N -0.817 118.993 119.800 0.016 0.000 2.123 75 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 75 Q C 1.841 177.866 176.000 0.041 0.000 0.966 75 Q CA 1.337 57.153 55.803 0.021 0.000 0.845 75 Q CB 0.000 28.749 28.738 0.017 0.000 0.907 75 Q HN 0.436 nan 8.270 nan 0.000 0.439 76 A N 0.669 123.518 122.820 0.047 0.000 1.930 76 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 76 A C 2.241 179.889 177.584 0.107 0.000 1.175 76 A CA 1.500 53.584 52.037 0.079 0.000 0.627 76 A CB -0.820 18.206 19.000 0.043 0.000 0.815 76 A HN 0.517 nan 8.150 nan 0.000 0.443 77 A N 0.067 122.928 122.820 0.067 0.000 1.902 77 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 77 A C 1.790 179.391 177.584 0.028 0.000 1.181 77 A CA 1.782 53.852 52.037 0.056 0.000 0.623 77 A CB -0.626 18.389 19.000 0.024 0.000 0.818 77 A HN 0.477 nan 8.150 nan 0.000 0.443 78 D N -0.243 120.165 120.400 0.014 0.000 2.182 78 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 78 D C 1.847 178.134 176.300 -0.023 0.000 0.986 78 D CA 1.422 55.413 54.000 -0.015 0.000 0.847 78 D CB -0.269 40.526 40.800 -0.009 0.000 0.942 78 D HN 0.666 nan 8.370 nan 0.000 0.467 79 E N 0.220 120.438 120.200 0.030 0.000 2.106 79 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 79 E C 2.348 178.922 176.600 -0.043 0.000 0.984 79 E CA 0.407 56.803 56.400 -0.006 0.000 0.806 79 E CB 0.211 29.982 29.700 0.118 0.000 0.750 79 E HN 0.115 nan 8.360 nan 0.000 0.458 80 V N 1.710 121.690 119.914 0.111 0.000 2.307 80 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 80 V C 2.338 178.315 176.094 -0.194 0.000 1.045 80 V CA 1.418 63.789 62.300 0.117 0.000 1.024 80 V CB -0.451 31.479 31.823 0.178 0.000 0.651 80 V HN 0.263 nan 8.190 nan 0.000 0.449 81 L N 0.312 121.366 121.223 -0.282 0.000 2.131 81 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 81 L C 2.505 179.152 176.870 -0.371 0.000 1.092 81 L CA 1.501 56.031 54.840 -0.516 0.000 0.759 81 L CB -0.694 41.210 42.059 -0.257 0.000 0.903 81 L HN 0.375 nan 8.230 nan 0.000 0.435 82 A N -0.411 122.298 122.820 -0.185 0.000 2.235 82 A HA 0.223 4.543 4.320 -0.000 0.000 0.208 82 A C 1.715 179.258 177.584 -0.068 0.000 1.172 82 A CA 0.807 52.783 52.037 -0.103 0.000 0.786 82 A CB -0.501 18.452 19.000 -0.079 0.000 0.804 82 A HN 0.549 nan 8.150 nan 0.000 0.479 83 G N -1.112 107.647 108.800 -0.069 0.000 2.137 83 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.237 83 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.237 83 G C 0.521 175.409 174.900 -0.021 0.000 1.002 83 G CA 0.498 45.622 45.100 0.039 0.000 0.702 83 G HN 0.578 nan 8.290 nan 0.000 0.515 84 Q N -0.716 118.984 119.800 -0.168 0.000 2.425 84 Q HA 0.105 4.445 4.340 -0.000 0.000 0.204 84 Q C 0.858 176.601 176.000 -0.429 0.000 0.933 84 Q CA 0.671 56.268 55.803 -0.344 0.000 0.939 84 Q CB 0.244 28.667 28.738 -0.525 0.000 1.044 84 Q HN 0.751 nan 8.270 nan 0.000 0.513 85 H N -0.751 118.410 119.070 0.153 0.000 2.637 85 H HA 0.136 4.692 4.556 -0.000 0.000 0.245 85 H C 0.050 175.563 175.328 0.309 0.000 1.190 85 H CA -0.329 55.832 56.048 0.189 0.000 0.934 85 H CB 0.611 30.492 29.762 0.198 0.000 1.950 85 H HN 0.140 nan 8.280 nan 0.000 0.614 86 D N 1.068 121.672 120.400 0.339 0.000 2.228 86 D HA -0.141 4.499 4.640 -0.000 0.000 0.203 86 D C 1.572 178.074 176.300 0.337 0.000 0.988 86 D CA 1.278 55.488 54.000 0.350 0.000 0.864 86 D CB 0.094 41.022 40.800 0.215 0.000 0.928 86 D HN 0.597 nan 8.370 nan 0.000 0.469 87 D N 0.079 120.629 120.400 0.250 0.000 2.340 87 D HA -0.084 4.556 4.640 -0.000 0.000 0.220 87 D C 0.869 177.296 176.300 0.211 0.000 1.039 87 D CA 0.253 54.376 54.000 0.206 0.000 0.866 87 D CB -0.019 40.873 40.800 0.153 0.000 0.913 87 D HN 0.103 nan 8.370 nan 0.000 0.523 88 E N -0.058 120.200 120.200 0.097 0.000 2.479 88 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 88 E C -0.390 175.861 176.600 -0.581 0.000 1.049 88 E CA -0.068 56.241 56.400 -0.151 0.000 0.870 88 E CB 0.017 29.449 29.700 -0.447 0.000 0.944 88 E HN 0.359 nan 8.360 nan 0.000 0.492 89 F N 1.672 121.708 119.950 0.142 0.000 2.564 89 F HA 0.271 4.798 4.527 -0.000 0.000 0.361 89 F C -1.562 174.197 175.800 -0.069 0.000 1.161 89 F CA -1.802 56.199 58.000 0.002 0.000 1.198 89 F CB 1.572 40.595 39.000 0.039 0.000 1.424 89 F HN -0.149 nan 8.300 nan 0.000 0.517 90 P HA 0.108 nan 4.420 nan 0.000 0.261 90 P C 0.055 177.272 177.300 -0.137 0.000 1.268 90 P CA 0.387 63.397 63.100 -0.150 0.000 0.833 90 P CB 0.702 32.206 31.700 -0.327 0.000 1.231 91 L N 0.648 121.788 121.223 -0.138 0.000 2.453 91 L HA 0.297 4.637 4.340 -0.000 0.000 0.272 91 L C 1.074 177.890 176.870 -0.089 0.000 1.182 91 L CA -0.679 54.091 54.840 -0.117 0.000 0.858 91 L CB 0.262 42.242 42.059 -0.131 0.000 1.120 91 L HN -0.027 nan 8.230 nan 0.000 0.474 92 A N 3.454 126.228 122.820 -0.078 0.000 2.332 92 A HA 0.259 4.579 4.320 -0.000 0.000 0.258 92 A C 1.231 178.643 177.584 -0.288 0.000 1.087 92 A CA -0.508 51.464 52.037 -0.109 0.000 0.802 92 A CB 0.404 19.431 19.000 0.045 0.000 1.042 92 A HN 0.711 nan 8.150 nan 0.000 0.489 93 I N -0.879 119.353 120.570 -0.563 0.000 2.286 93 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 93 I C 0.680 176.287 176.117 -0.849 0.000 1.115 93 I CA 0.950 61.749 61.300 -0.834 0.000 1.392 93 I CB -0.891 36.260 38.000 -1.415 0.000 1.065 93 I HN 0.745 nan 8.210 nan 0.000 0.418 94 W N 3.875 125.104 121.300 -0.118 0.000 1.564 94 W HA 0.254 4.914 4.660 -0.000 0.000 0.480 94 W C 1.045 177.450 176.519 -0.189 0.000 0.699 94 W CA -0.674 56.610 57.345 -0.101 0.000 1.985 94 W CB -0.749 28.699 29.460 -0.021 0.000 1.738 94 W HN 0.263 nan 8.180 nan 0.000 0.218 95 Q N -0.900 118.703 119.800 -0.329 0.000 3.375 95 Q HA 0.488 4.828 4.340 -0.000 0.000 0.295 95 Q C -0.003 175.596 176.000 -0.668 0.000 0.996 95 Q CA -1.139 54.157 55.803 -0.845 0.000 0.801 95 Q CB 0.416 28.719 28.738 -0.725 0.000 2.066 95 Q HN -0.101 nan 8.270 nan 0.000 0.424 96 T N -0.717 113.424 114.554 -0.689 0.000 2.928 96 T HA 0.155 4.505 4.350 -0.000 0.000 0.305 96 T C 1.221 175.709 174.700 -0.353 0.000 1.035 96 T CA 0.526 62.391 62.100 -0.392 0.000 1.145 96 T CB 0.261 68.952 68.868 -0.296 0.000 0.963 96 T HN 0.655 nan 8.240 nan 0.000 0.545 97 G N 2.540 111.170 108.800 -0.283 0.000 2.527 97 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 97 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 97 G C 1.571 176.317 174.900 -0.258 0.000 1.117 97 G CA 0.852 45.783 45.100 -0.281 0.000 0.759 97 G HN 0.860 nan 8.290 nan 0.000 0.556 98 S N -1.105 114.432 115.700 -0.273 0.000 2.524 98 S HA 0.360 4.830 4.470 -0.000 0.000 0.216 98 S C 1.829 176.110 174.600 -0.531 0.000 0.987 98 S CA 0.895 58.943 58.200 -0.254 0.000 0.909 98 S CB 0.116 63.224 63.200 -0.154 0.000 0.781 98 S HN 1.420 nan 8.310 nan 0.000 0.521 99 G N 0.846 109.192 108.800 -0.757 0.000 2.147 99 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 99 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 99 G C 0.638 175.169 174.900 -0.615 0.000 1.005 99 G CA 0.574 44.915 45.100 -1.264 0.000 0.713 99 G HN 0.451 nan 8.290 nan 0.000 0.515 100 T N 0.254 114.596 114.554 -0.352 0.000 2.684 100 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 100 T C 2.389 177.009 174.700 -0.134 0.000 1.036 100 T CA 2.037 64.035 62.100 -0.171 0.000 1.148 100 T CB -0.183 68.610 68.868 -0.125 0.000 0.863 100 T HN 0.642 nan 8.240 nan 0.000 0.436 101 Q N 0.544 120.234 119.800 -0.183 0.000 2.096 101 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 101 Q C 2.656 178.601 176.000 -0.091 0.000 0.982 101 Q CA 1.450 57.170 55.803 -0.139 0.000 0.850 101 Q CB -0.180 28.439 28.738 -0.199 0.000 0.901 101 Q HN 0.367 nan 8.270 nan 0.000 0.422 102 S N 0.726 116.366 115.700 -0.101 0.000 2.428 102 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 102 S C 1.580 176.238 174.600 0.097 0.000 1.014 102 S CA 0.980 59.193 58.200 0.022 0.000 0.957 102 S CB -0.190 63.053 63.200 0.071 0.000 0.784 102 S HN 0.365 nan 8.310 nan 0.000 0.499 103 N N 1.677 120.421 118.700 0.072 0.000 2.106 103 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 103 N C 1.672 177.230 175.510 0.081 0.000 1.029 103 N CA 1.318 54.428 53.050 0.101 0.000 0.848 103 N CB -0.241 38.294 38.487 0.081 0.000 1.007 103 N HN 0.111 nan 8.380 nan 0.000 0.423 104 M N 0.700 120.327 119.600 0.045 0.000 2.159 104 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 104 M C 1.783 178.125 176.300 0.069 0.000 1.063 104 M CA 0.945 56.272 55.300 0.045 0.000 1.110 104 M CB -1.633 30.977 32.600 0.016 0.000 1.374 104 M HN 0.329 nan 8.290 nan 0.000 0.411 105 N N 0.668 119.415 118.700 0.078 0.000 2.069 105 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 105 N C 1.580 177.222 175.510 0.220 0.000 1.031 105 N CA 1.538 54.654 53.050 0.109 0.000 0.852 105 N CB -0.210 38.360 38.487 0.138 0.000 1.018 105 N HN 0.208 nan 8.380 nan 0.000 0.423 106 M N 0.771 120.548 119.600 0.294 0.000 2.175 106 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 106 M C 1.334 177.747 176.300 0.187 0.000 1.063 106 M CA 1.247 56.750 55.300 0.339 0.000 1.119 106 M CB -0.515 32.217 32.600 0.220 0.000 1.377 106 M HN 0.079 nan 8.290 nan 0.000 0.415 107 N N 0.440 119.217 118.700 0.128 0.000 2.106 107 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 107 N C 1.636 177.192 175.510 0.077 0.000 1.029 107 N CA 1.756 54.859 53.050 0.088 0.000 0.848 107 N CB -0.352 38.178 38.487 0.071 0.000 1.007 107 N HN 0.565 nan 8.380 nan 0.000 0.423 108 E N 0.253 120.502 120.200 0.081 0.000 2.047 108 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 108 E C 2.018 178.645 176.600 0.044 0.000 0.987 108 E CA 0.796 57.237 56.400 0.069 0.000 0.799 108 E CB 0.010 29.766 29.700 0.094 0.000 0.752 108 E HN 0.034 nan 8.360 nan 0.000 0.449 109 V N 1.169 121.109 119.914 0.045 0.000 2.295 109 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 109 V C 2.220 178.298 176.094 -0.027 0.000 1.049 109 V CA 1.300 63.583 62.300 -0.029 0.000 1.024 109 V CB -0.317 31.453 31.823 -0.088 0.000 0.648 109 V HN 0.203 nan 8.190 nan 0.000 0.447 110 L N 0.148 121.395 121.223 0.040 0.000 2.083 110 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 110 L C 2.514 179.384 176.870 -0.001 0.000 1.083 110 L CA 2.169 57.028 54.840 0.030 0.000 0.752 110 L CB -1.254 40.843 42.059 0.064 0.000 0.899 110 L HN 0.295 nan 8.230 nan 0.000 0.433 111 A N -0.621 122.199 122.820 0.001 0.000 1.855 111 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 111 A C 2.146 179.701 177.584 -0.049 0.000 1.191 111 A CA 1.654 53.677 52.037 -0.023 0.000 0.613 111 A CB -0.644 18.352 19.000 -0.006 0.000 0.829 111 A HN 0.441 nan 8.150 nan 0.000 0.442 112 N N -0.530 118.143 118.700 -0.045 0.000 2.149 112 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 112 N C 1.844 177.308 175.510 -0.075 0.000 1.019 112 N CA 1.634 54.646 53.050 -0.063 0.000 0.857 112 N CB -0.374 38.071 38.487 -0.071 0.000 0.997 112 N HN 0.473 nan 8.380 nan 0.000 0.426 113 R N 0.952 121.402 120.500 -0.084 0.000 2.075 113 R HA 0.197 4.537 4.340 -0.000 0.000 0.226 113 R C 1.879 178.152 176.300 -0.044 0.000 1.114 113 R CA 1.325 57.376 56.100 -0.082 0.000 0.972 113 R CB -0.821 29.403 30.300 -0.128 0.000 0.869 113 R HN 0.123 nan 8.270 nan 0.000 0.437 114 A N -0.424 122.374 122.820 -0.037 0.000 1.933 114 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 114 A C 2.252 179.811 177.584 -0.042 0.000 1.175 114 A CA 1.858 53.878 52.037 -0.029 0.000 0.628 114 A CB -0.996 17.988 19.000 -0.027 0.000 0.814 114 A HN 0.463 nan 8.150 nan 0.000 0.444 115 S N -0.315 115.349 115.700 -0.060 0.000 2.353 115 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 115 S C 1.917 176.488 174.600 -0.048 0.000 1.035 115 S CA 1.788 59.947 58.200 -0.069 0.000 1.025 115 S CB -0.426 62.725 63.200 -0.082 0.000 0.902 115 S HN 0.669 nan 8.310 nan 0.000 0.440 116 E N 0.240 120.415 120.200 -0.043 0.000 2.085 116 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 116 E C 2.043 178.630 176.600 -0.021 0.000 0.994 116 E CA 1.247 57.628 56.400 -0.031 0.000 0.801 116 E CB -0.301 29.381 29.700 -0.031 0.000 0.743 116 E HN 0.329 nan 8.360 nan 0.000 0.453 117 L N 0.396 121.609 121.223 -0.017 0.000 2.261 117 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 117 L C 1.867 178.730 176.870 -0.012 0.000 1.114 117 L CA 1.396 56.231 54.840 -0.008 0.000 0.777 117 L CB -0.242 41.816 42.059 -0.001 0.000 0.910 117 L HN 0.149 nan 8.230 nan 0.000 0.440 118 L N -1.343 119.868 121.223 -0.020 0.000 2.685 118 L HA 0.249 4.589 4.340 -0.000 0.000 0.233 118 L C 1.437 178.295 176.870 -0.019 0.000 1.173 118 L CA 0.472 55.300 54.840 -0.020 0.000 0.961 118 L CB -0.523 41.519 42.059 -0.028 0.000 1.217 118 L HN 0.446 nan 8.230 nan 0.000 0.478 119 G N -0.311 108.479 108.800 -0.017 0.000 2.179 119 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 119 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 119 G C 0.614 175.503 174.900 -0.019 0.000 0.977 119 G CA 0.009 45.100 45.100 -0.015 0.000 0.641 119 G HN 0.522 nan 8.290 nan 0.000 0.533 120 G N -1.399 107.386 108.800 -0.026 0.000 2.510 120 G HA2 0.656 4.616 3.960 -0.000 0.000 0.280 120 G HA3 0.656 4.616 3.960 -0.000 0.000 0.280 120 G C -0.126 174.755 174.900 -0.031 0.000 1.386 120 G CA 0.262 45.344 45.100 -0.030 0.000 1.047 120 G HN 1.183 nan 8.290 nan 0.000 0.527 121 V N -0.641 119.253 119.914 -0.033 0.000 2.960 121 V HA 0.674 4.794 4.120 -0.000 0.000 0.315 121 V C 0.209 176.277 176.094 -0.042 0.000 1.087 121 V CA -1.087 61.192 62.300 -0.035 0.000 0.982 121 V CB 1.950 33.756 31.823 -0.028 0.000 1.039 121 V HN 1.024 nan 8.190 nan 0.000 0.437 122 R N 3.318 123.789 120.500 -0.049 0.000 2.560 122 R HA 0.822 5.162 4.340 -0.000 0.000 0.270 122 R C 0.288 176.561 176.300 -0.045 0.000 1.074 122 R CA 0.517 56.584 56.100 -0.056 0.000 1.140 122 R CB 0.872 31.127 30.300 -0.075 0.000 1.073 122 R HN 1.645 nan 8.270 nan 0.000 0.527 123 G N 0.860 109.637 108.800 -0.037 0.000 2.409 123 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.421 123 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.421 123 G C 0.088 174.990 174.900 0.003 0.000 1.259 123 G CA -0.280 44.807 45.100 -0.022 0.000 1.011 123 G HN 0.468 nan 8.290 nan 0.000 0.497 124 M N 1.411 121.018 119.600 0.011 0.000 2.740 124 M HA 0.161 4.641 4.480 -0.000 0.000 0.230 124 M C 1.452 177.777 176.300 0.042 0.000 1.100 124 M CA 1.467 56.785 55.300 0.031 0.000 1.047 124 M CB -1.567 31.046 32.600 0.023 0.000 1.652 124 M HN 0.727 nan 8.290 nan 0.000 0.528 125 E N 0.143 120.361 120.200 0.030 0.000 3.428 125 E HA 0.192 4.542 4.350 -0.000 0.000 0.191 125 E C -0.233 176.376 176.600 0.015 0.000 0.980 125 E CA -0.439 55.981 56.400 0.034 0.000 1.305 125 E CB 0.293 30.003 29.700 0.017 0.000 1.105 125 E HN 0.417 nan 8.360 nan 0.000 0.455 126 R N 0.839 121.341 120.500 0.003 0.000 2.539 126 R HA 0.310 4.650 4.340 -0.000 0.000 0.275 126 R C 0.305 176.511 176.300 -0.155 0.000 1.077 126 R CA -0.604 55.455 56.100 -0.068 0.000 1.097 126 R CB 1.175 31.426 30.300 -0.083 0.000 1.018 126 R HN -0.062 nan 8.270 nan 0.000 0.483 127 K N 0.791 121.093 120.400 -0.163 0.000 2.155 127 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 127 K C 0.270 176.651 176.600 -0.364 0.000 1.052 127 K CA 0.769 56.944 56.287 -0.186 0.000 0.948 127 K CB 0.229 32.671 32.500 -0.098 0.000 0.728 127 K HN 0.339 nan 8.250 nan 0.000 0.448 128 V N 2.518 122.215 119.914 -0.361 0.000 2.483 128 V HA 0.145 4.265 4.120 -0.000 0.000 0.295 128 V C -0.305 175.503 176.094 -0.477 0.000 1.035 128 V CA -0.882 61.208 62.300 -0.349 0.000 0.896 128 V CB 1.370 33.105 31.823 -0.146 0.000 0.986 128 V HN 0.211 nan 8.190 nan 0.000 0.447 129 H N 4.561 123.634 119.070 0.005 0.000 2.457 129 H HA 0.318 4.874 4.556 -0.000 0.000 0.335 129 H C -1.957 173.378 175.328 0.012 0.000 1.115 129 H CA -2.104 53.948 56.048 0.007 0.000 1.219 129 H CB 2.077 31.842 29.762 0.005 0.000 1.471 129 H HN 0.336 nan 8.280 nan 0.000 0.491 130 P HA -0.179 nan 4.420 nan 0.000 0.212 130 P C 1.336 178.681 177.300 0.075 0.000 1.178 130 P CA 1.498 64.647 63.100 0.081 0.000 0.915 130 P CB 0.505 32.251 31.700 0.075 0.000 0.788 131 N N -1.277 117.467 118.700 0.073 0.000 2.083 131 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 131 N C 1.434 176.972 175.510 0.047 0.000 1.047 131 N CA 1.455 54.534 53.050 0.048 0.000 0.845 131 N CB -0.763 37.741 38.487 0.029 0.000 1.025 131 N HN -0.115 nan 8.380 nan 0.000 0.428 132 D N 0.047 120.482 120.400 0.058 0.000 2.149 132 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 132 D C 0.811 177.149 176.300 0.063 0.000 0.990 132 D CA 1.111 55.141 54.000 0.050 0.000 0.839 132 D CB -0.107 40.717 40.800 0.040 0.000 0.948 132 D HN 0.443 nan 8.370 nan 0.000 0.460 133 D N -0.640 119.813 120.400 0.087 0.000 2.943 133 D HA 0.019 4.659 4.640 -0.000 0.000 0.282 133 D C 2.359 178.684 176.300 0.043 0.000 1.148 133 D CA 0.215 54.251 54.000 0.060 0.000 1.006 133 D CB -0.020 40.813 40.800 0.054 0.000 1.168 133 D HN -0.007 nan 8.370 nan 0.000 0.450 134 V N 1.487 121.428 119.914 0.046 0.000 2.515 134 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 134 V C 1.593 177.714 176.094 0.045 0.000 1.058 134 V CA 1.360 63.685 62.300 0.043 0.000 1.064 134 V CB -0.539 31.312 31.823 0.046 0.000 0.675 134 V HN 0.071 nan 8.190 nan 0.000 0.461 135 N N 0.052 118.777 118.700 0.042 0.000 2.276 135 N HA 0.062 4.802 4.740 -0.000 0.000 0.212 135 N C 0.499 176.019 175.510 0.016 0.000 1.127 135 N CA -0.022 53.049 53.050 0.035 0.000 0.834 135 N CB -0.141 38.366 38.487 0.033 0.000 1.014 135 N HN 0.415 nan 8.380 nan 0.000 0.491 136 K N 0.181 120.589 120.400 0.012 0.000 2.484 136 K HA -0.006 4.314 4.320 -0.000 0.000 0.280 136 K C 0.159 176.712 176.600 -0.078 0.000 1.013 136 K CA 0.565 56.839 56.287 -0.021 0.000 1.029 136 K CB 0.195 32.691 32.500 -0.007 0.000 0.902 136 K HN 0.174 nan 8.250 nan 0.000 0.481 137 S N 1.027 116.634 115.700 -0.154 0.000 3.261 137 S HA -0.206 4.264 4.470 -0.000 0.000 0.287 137 S C -0.480 173.939 174.600 -0.300 0.000 1.281 137 S CA 1.318 59.307 58.200 -0.352 0.000 1.053 137 S CB -1.166 61.610 63.200 -0.707 0.000 1.251 137 S HN 0.808 nan 8.310 nan 0.000 0.659 138 Q N -0.070 119.672 119.800 -0.097 0.000 2.572 138 Q HA 0.821 5.161 4.340 -0.000 0.000 0.284 138 Q C -0.311 175.686 176.000 -0.006 0.000 1.091 138 Q CA -0.511 55.289 55.803 -0.005 0.000 0.840 138 Q CB 1.975 30.745 28.738 0.054 0.000 1.433 138 Q HN 0.243 nan 8.270 nan 0.000 0.471 139 S N -1.337 114.373 115.700 0.017 0.000 2.556 139 S HA 0.307 4.777 4.470 -0.000 0.000 0.271 139 S C -0.164 174.451 174.600 0.025 0.000 1.135 139 S CA -0.551 57.656 58.200 0.011 0.000 0.858 139 S CB 1.724 64.927 63.200 0.004 0.000 1.114 139 S HN 0.519 nan 8.310 nan 0.000 0.468 140 S N 2.677 118.389 115.700 0.020 0.000 2.399 140 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 140 S C 1.588 176.211 174.600 0.038 0.000 1.022 140 S CA 1.490 59.707 58.200 0.027 0.000 0.983 140 S CB -0.564 62.631 63.200 -0.008 0.000 0.803 140 S HN 0.777 nan 8.310 nan 0.000 0.480 141 N N 2.145 120.857 118.700 0.020 0.000 2.166 141 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 141 N C 1.245 176.771 175.510 0.027 0.000 1.019 141 N CA 1.532 54.594 53.050 0.022 0.000 0.856 141 N CB -0.326 38.168 38.487 0.012 0.000 0.993 141 N HN 0.649 nan 8.380 nan 0.000 0.426 142 D N -0.779 119.633 120.400 0.020 0.000 2.389 142 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 142 D C 1.561 177.864 176.300 0.005 0.000 1.055 142 D CA 0.042 54.043 54.000 0.002 0.000 0.856 142 D CB -0.307 40.489 40.800 -0.006 0.000 0.957 142 D HN -0.002 nan 8.370 nan 0.000 0.509 143 V N 0.257 120.193 119.914 0.038 0.000 2.346 143 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 143 V C 2.187 178.299 176.094 0.030 0.000 1.037 143 V CA 1.102 63.422 62.300 0.032 0.000 1.029 143 V CB -0.722 31.136 31.823 0.058 0.000 0.663 143 V HN 0.041 nan 8.190 nan 0.000 0.454 144 F N 1.403 121.317 119.950 -0.060 0.000 2.095 144 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 144 F C -0.095 175.653 175.800 -0.086 0.000 1.104 144 F CA 1.942 59.902 58.000 -0.067 0.000 1.232 144 F CB -1.442 37.520 39.000 -0.062 0.000 0.987 144 F HN 0.235 nan 8.300 nan 0.000 0.475 145 P HA -0.138 nan 4.420 nan 0.000 0.216 145 P C 1.661 178.793 177.300 -0.280 0.000 1.150 145 P CA 2.414 65.432 63.100 -0.137 0.000 0.837 145 P CB -0.205 31.427 31.700 -0.114 0.000 0.786 146 T N -0.661 113.763 114.554 -0.217 0.000 2.708 146 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 146 T C 1.892 176.460 174.700 -0.221 0.000 1.037 146 T CA 1.652 63.619 62.100 -0.221 0.000 1.146 146 T CB -0.964 67.803 68.868 -0.169 0.000 0.865 146 T HN 0.041 nan 8.240 nan 0.000 0.435 147 A N 1.316 123.986 122.820 -0.251 0.000 1.933 147 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 147 A C 2.337 179.759 177.584 -0.270 0.000 1.175 147 A CA 1.501 53.372 52.037 -0.277 0.000 0.628 147 A CB -0.711 18.075 19.000 -0.357 0.000 0.814 147 A HN 0.456 nan 8.150 nan 0.000 0.444 148 M N -1.543 117.859 119.600 -0.330 0.000 2.080 148 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 148 M C 2.176 178.478 176.300 0.003 0.000 1.068 148 M CA 1.746 56.922 55.300 -0.208 0.000 1.109 148 M CB -0.521 31.972 32.600 -0.179 0.000 1.342 148 M HN 0.496 nan 8.290 nan 0.000 0.405 149 H N -0.668 118.315 119.070 -0.146 0.000 2.395 149 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 149 H C 2.175 177.562 175.328 0.098 0.000 1.070 149 H CA 1.203 57.225 56.048 -0.043 0.000 1.356 149 H CB -0.603 29.166 29.762 0.012 0.000 1.401 149 H HN 0.122 nan 8.280 nan 0.000 0.524 150 V N 0.690 120.676 119.914 0.119 0.000 2.295 150 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 150 V C 2.621 178.814 176.094 0.166 0.000 1.049 150 V CA 1.768 64.130 62.300 0.102 0.000 1.024 150 V CB -1.081 30.619 31.823 -0.205 0.000 0.648 150 V HN 0.537 nan 8.190 nan 0.000 0.447 151 A N -0.080 122.767 122.820 0.045 0.000 1.877 151 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 151 A C 2.433 180.067 177.584 0.084 0.000 1.186 151 A CA 2.270 54.330 52.037 0.038 0.000 0.620 151 A CB -0.907 18.078 19.000 -0.026 0.000 0.822 151 A HN 0.576 nan 8.150 nan 0.000 0.443 152 A N -0.571 122.289 122.820 0.067 0.000 1.865 152 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 152 A C 2.169 179.822 177.584 0.114 0.000 1.191 152 A CA 1.842 53.936 52.037 0.095 0.000 0.623 152 A CB -0.760 18.109 19.000 -0.219 0.000 0.826 152 A HN 0.660 nan 8.150 nan 0.000 0.444 153 L N -0.141 121.127 121.223 0.075 0.000 2.017 153 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 153 L C 2.359 179.246 176.870 0.028 0.000 1.073 153 L CA 1.707 56.559 54.840 0.020 0.000 0.745 153 L CB -0.466 41.551 42.059 -0.070 0.000 0.894 153 L HN 0.431 nan 8.230 nan 0.000 0.432 154 L N -1.012 120.269 121.223 0.096 0.000 2.093 154 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 154 L C 2.637 179.536 176.870 0.050 0.000 1.085 154 L CA 1.080 55.964 54.840 0.074 0.000 0.755 154 L CB -1.002 41.127 42.059 0.115 0.000 0.904 154 L HN 0.349 nan 8.230 nan 0.000 0.435 155 A N 0.177 123.036 122.820 0.065 0.000 1.930 155 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 155 A C 2.273 179.875 177.584 0.029 0.000 1.175 155 A CA 1.273 53.338 52.037 0.047 0.000 0.627 155 A CB -0.573 18.466 19.000 0.065 0.000 0.815 155 A HN 0.333 nan 8.150 nan 0.000 0.443 156 L N -1.274 119.978 121.223 0.048 0.000 2.056 156 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 156 L C 2.881 179.746 176.870 -0.007 0.000 1.078 156 L CA 1.449 56.301 54.840 0.021 0.000 0.749 156 L CB -0.355 41.734 42.059 0.049 0.000 0.901 156 L HN 0.322 nan 8.230 nan 0.000 0.433 157 R N -0.271 120.221 120.500 -0.012 0.000 2.093 157 R HA -0.074 4.266 4.340 -0.000 0.000 0.224 157 R C 2.069 178.358 176.300 -0.020 0.000 1.101 157 R CA 0.986 57.069 56.100 -0.028 0.000 0.979 157 R CB 0.037 30.309 30.300 -0.047 0.000 0.877 157 R HN 0.286 nan 8.270 nan 0.000 0.441 158 K N -0.715 119.680 120.400 -0.007 0.000 2.334 158 K HA 0.046 4.366 4.320 -0.000 0.000 0.195 158 K C 1.586 178.182 176.600 -0.006 0.000 1.045 158 K CA 0.542 56.827 56.287 -0.004 0.000 1.004 158 K CB 0.531 33.035 32.500 0.008 0.000 0.837 158 K HN 0.007 nan 8.250 nan 0.000 0.510 159 Q N 0.139 119.934 119.800 -0.008 0.000 2.530 159 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 159 Q C 1.789 177.774 176.000 -0.024 0.000 0.956 159 Q CA 0.057 55.852 55.803 -0.014 0.000 0.870 159 Q CB -0.107 28.622 28.738 -0.015 0.000 1.050 159 Q HN 0.002 nan 8.270 nan 0.000 0.604 160 L N 1.194 122.399 121.223 -0.031 0.000 1.943 160 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 160 L C 2.071 178.919 176.870 -0.038 0.000 1.074 160 L CA 1.981 56.795 54.840 -0.044 0.000 0.759 160 L CB -0.924 41.100 42.059 -0.059 0.000 0.888 160 L HN 0.382 nan 8.230 nan 0.000 0.433 161 I N 0.267 120.816 120.570 -0.035 0.000 2.151 161 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 161 I C -0.261 175.838 176.117 -0.030 0.000 1.080 161 I CA 1.577 62.856 61.300 -0.036 0.000 1.339 161 I CB -1.682 36.294 38.000 -0.040 0.000 1.039 161 I HN 0.270 nan 8.210 nan 0.000 0.409 162 P HA -0.171 nan 4.420 nan 0.000 0.215 162 P C 1.515 178.804 177.300 -0.019 0.000 1.153 162 P CA 1.220 64.307 63.100 -0.022 0.000 0.853 162 P CB -0.033 31.656 31.700 -0.019 0.000 0.788 163 Q N -1.010 118.779 119.800 -0.019 0.000 2.119 163 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 163 Q C 2.104 178.100 176.000 -0.008 0.000 0.972 163 Q CA 1.006 56.801 55.803 -0.014 0.000 0.847 163 Q CB -1.353 27.376 28.738 -0.016 0.000 0.903 163 Q HN 0.237 nan 8.270 nan 0.000 0.433 164 L N 1.380 122.595 121.223 -0.015 0.000 2.017 164 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 164 L C 1.941 178.809 176.870 -0.003 0.000 1.073 164 L CA 1.896 56.730 54.840 -0.010 0.000 0.745 164 L CB -0.477 41.569 42.059 -0.023 0.000 0.894 164 L HN 0.024 nan 8.230 nan 0.000 0.432 165 K N -1.221 119.172 120.400 -0.012 0.000 2.103 165 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 165 K C 1.841 178.439 176.600 -0.004 0.000 1.048 165 K CA 1.912 58.192 56.287 -0.012 0.000 0.930 165 K CB -0.391 32.097 32.500 -0.021 0.000 0.716 165 K HN 0.437 nan 8.250 nan 0.000 0.444 166 T N 1.923 116.475 114.554 -0.004 0.000 2.708 166 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 166 T C 1.755 176.463 174.700 0.012 0.000 1.037 166 T CA 1.014 63.113 62.100 -0.002 0.000 1.146 166 T CB -0.219 68.644 68.868 -0.009 0.000 0.865 166 T HN 0.089 nan 8.240 nan 0.000 0.435 167 L N 1.261 122.501 121.223 0.029 0.000 2.046 167 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 167 L C 2.466 179.380 176.870 0.072 0.000 1.077 167 L CA 1.832 56.710 54.840 0.063 0.000 0.747 167 L CB -1.274 40.841 42.059 0.093 0.000 0.896 167 L HN 0.184 nan 8.230 nan 0.000 0.432 168 T N -0.749 113.838 114.554 0.055 0.000 2.684 168 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 168 T C 1.753 176.479 174.700 0.043 0.000 1.036 168 T CA 1.803 63.937 62.100 0.057 0.000 1.148 168 T CB -0.270 68.617 68.868 0.032 0.000 0.863 168 T HN 0.507 nan 8.240 nan 0.000 0.436 169 Q N 0.327 120.139 119.800 0.021 0.000 2.050 169 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 169 Q C 2.318 178.322 176.000 0.007 0.000 0.980 169 Q CA 1.786 57.592 55.803 0.006 0.000 0.840 169 Q CB -0.319 28.415 28.738 -0.006 0.000 0.898 169 Q HN 0.483 nan 8.270 nan 0.000 0.424 170 T N 1.618 116.182 114.554 0.016 0.000 2.652 170 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 170 T C 1.755 176.475 174.700 0.033 0.000 1.039 170 T CA 1.172 63.280 62.100 0.012 0.000 1.153 170 T CB -0.239 68.637 68.868 0.014 0.000 0.863 170 T HN 0.144 nan 8.240 nan 0.000 0.428 171 L N 2.022 123.298 121.223 0.088 0.000 2.079 171 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 171 L C 2.282 179.194 176.870 0.070 0.000 1.081 171 L CA 1.362 56.290 54.840 0.147 0.000 0.752 171 L CB -1.350 40.863 42.059 0.256 0.000 0.896 171 L HN 0.380 nan 8.230 nan 0.000 0.433 172 N N -0.259 118.463 118.700 0.036 0.000 2.166 172 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 172 N C 1.630 177.110 175.510 -0.050 0.000 1.019 172 N CA 1.195 54.243 53.050 -0.004 0.000 0.856 172 N CB 0.225 38.709 38.487 -0.004 0.000 0.993 172 N HN 0.495 nan 8.380 nan 0.000 0.426 173 E N 0.329 120.494 120.200 -0.058 0.000 2.077 173 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 173 E C 1.920 178.400 176.600 -0.200 0.000 0.989 173 E CA 0.810 57.148 56.400 -0.104 0.000 0.800 173 E CB 0.146 29.796 29.700 -0.084 0.000 0.746 173 E HN 0.199 nan 8.360 nan 0.000 0.452 174 K N 0.505 120.785 120.400 -0.199 0.000 2.097 174 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 174 K C 2.294 178.635 176.600 -0.431 0.000 1.049 174 K CA 0.757 56.802 56.287 -0.403 0.000 0.933 174 K CB -0.505 31.937 32.500 -0.097 0.000 0.717 174 K HN -0.000 nan 8.250 nan 0.000 0.442 175 S N 1.059 116.652 115.700 -0.177 0.000 2.356 175 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 175 S C 2.003 176.523 174.600 -0.132 0.000 1.032 175 S CA 1.104 59.234 58.200 -0.116 0.000 1.005 175 S CB 0.046 63.203 63.200 -0.072 0.000 0.867 175 S HN 0.278 nan 8.310 nan 0.000 0.449 176 R N 0.654 121.068 120.500 -0.143 0.000 2.096 176 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 176 R C 2.657 178.868 176.300 -0.148 0.000 1.127 176 R CA 1.238 57.268 56.100 -0.116 0.000 0.968 176 R CB -0.606 29.636 30.300 -0.097 0.000 0.861 176 R HN 0.520 nan 8.270 nan 0.000 0.440 177 A N 0.787 123.431 122.820 -0.294 0.000 1.933 177 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 177 A C 1.131 178.613 177.584 -0.169 0.000 1.175 177 A CA 1.131 52.960 52.037 -0.346 0.000 0.628 177 A CB -0.222 18.393 19.000 -0.641 0.000 0.814 177 A HN 0.215 nan 8.150 nan 0.000 0.444 178 F N -0.527 119.414 119.950 -0.014 0.000 2.668 178 F HA 0.481 5.008 4.527 -0.000 0.000 0.297 178 F C 1.992 177.776 175.800 -0.027 0.000 1.124 178 F CA -0.782 57.207 58.000 -0.018 0.000 1.353 178 F CB -1.001 37.986 39.000 -0.022 0.000 0.992 178 F HN 0.222 nan 8.300 nan 0.000 0.524 179 A N 0.610 123.485 122.820 0.091 0.000 1.978 179 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 179 A C 2.083 179.695 177.584 0.046 0.000 1.170 179 A CA 2.090 54.153 52.037 0.043 0.000 0.636 179 A CB -0.539 18.464 19.000 0.006 0.000 0.810 179 A HN 0.434 nan 8.150 nan 0.000 0.448 180 D N -0.629 119.808 120.400 0.061 0.000 2.350 180 D HA 0.056 4.696 4.640 -0.000 0.000 0.213 180 D C 0.419 176.748 176.300 0.047 0.000 1.031 180 D CA -0.094 53.933 54.000 0.046 0.000 0.861 180 D CB -0.313 40.512 40.800 0.043 0.000 0.926 180 D HN 0.456 nan 8.370 nan 0.000 0.520 181 I N 2.082 122.691 120.570 0.065 0.000 2.347 181 I HA 0.054 4.224 4.170 -0.000 0.000 0.294 181 I C -0.059 176.068 176.117 0.018 0.000 1.090 181 I CA -0.538 60.784 61.300 0.037 0.000 1.314 181 I CB 1.393 39.407 38.000 0.022 0.000 1.423 181 I HN -0.267 nan 8.210 nan 0.000 0.503 182 V N 7.943 127.865 119.914 0.012 0.000 2.498 182 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 182 V C 0.271 176.367 176.094 0.004 0.000 1.048 182 V CA -0.277 62.028 62.300 0.008 0.000 0.967 182 V CB 0.982 32.812 31.823 0.012 0.000 0.988 182 V HN 0.782 nan 8.190 nan 0.000 0.473 183 K N 3.923 124.324 120.400 0.002 0.000 2.433 183 K HA 0.761 5.081 4.320 -0.000 0.000 0.252 183 K C -1.020 175.585 176.600 0.009 0.000 1.015 183 K CA -1.120 55.169 56.287 0.004 0.000 0.860 183 K CB 2.008 34.506 32.500 -0.004 0.000 1.359 183 K HN 0.336 nan 8.250 nan 0.000 0.452 184 I N 1.708 122.288 120.570 0.016 0.000 2.496 184 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 184 I C 0.305 176.432 176.117 0.017 0.000 1.080 184 I CA 0.544 61.856 61.300 0.019 0.000 1.404 184 I CB 0.852 38.867 38.000 0.025 0.000 1.403 184 I HN 0.767 nan 8.210 nan 0.000 0.539 185 G N 6.982 115.791 108.800 0.015 0.000 2.572 185 G HA2 0.506 4.466 3.960 -0.000 0.000 0.261 185 G HA3 0.506 4.466 3.960 -0.000 0.000 0.261 185 G C -0.633 174.277 174.900 0.016 0.000 1.197 185 G CA -0.656 44.451 45.100 0.013 0.000 0.870 185 G HN 0.652 nan 8.290 nan 0.000 0.548 186 R N -0.213 120.294 120.500 0.013 0.000 2.515 186 R HA 0.459 4.799 4.340 -0.000 0.000 0.291 186 R C -0.962 175.337 176.300 -0.001 0.000 1.046 186 R CA -0.609 55.496 56.100 0.009 0.000 0.914 186 R CB 2.142 32.441 30.300 -0.002 0.000 1.191 186 R HN 0.731 nan 8.270 nan 0.000 0.435 187 T N -1.066 113.502 114.554 0.022 0.000 2.861 187 T HA 0.302 4.652 4.350 -0.000 0.000 0.287 187 T C 0.324 175.075 174.700 0.085 0.000 1.003 187 T CA -0.750 61.347 62.100 -0.006 0.000 0.977 187 T CB 1.038 69.939 68.868 0.054 0.000 0.996 187 T HN 0.837 nan 8.240 nan 0.000 0.448 188 H N 1.456 120.503 119.070 -0.037 0.000 2.958 188 H HA -0.151 4.405 4.556 -0.000 0.000 0.274 188 H C 0.497 175.788 175.328 -0.063 0.000 1.184 188 H CA 0.590 56.611 56.048 -0.045 0.000 1.143 188 H CB -1.190 28.553 29.762 -0.033 0.000 1.297 188 H HN 0.704 nan 8.280 nan 0.000 0.356 189 L N -2.434 118.788 121.223 -0.002 0.000 5.081 189 L HA -0.253 4.087 4.340 -0.000 0.000 0.423 189 L C 0.739 177.598 176.870 -0.019 0.000 1.019 189 L CA 1.554 56.359 54.840 -0.058 0.000 1.223 189 L CB -0.986 41.011 42.059 -0.104 0.000 1.940 189 L HN 0.379 nan 8.230 nan 0.000 0.675 190 Q N 0.542 120.359 119.800 0.029 0.000 2.214 190 Q HA 0.358 4.698 4.340 -0.000 0.000 0.251 190 Q C -0.019 175.996 176.000 0.025 0.000 0.936 190 Q CA -0.640 55.177 55.803 0.024 0.000 0.894 190 Q CB 0.939 29.693 28.738 0.027 0.000 1.252 190 Q HN 0.127 nan 8.270 nan 0.000 0.448 191 D N 0.821 121.232 120.400 0.018 0.000 2.472 191 D HA 0.311 4.951 4.640 -0.000 0.000 0.237 191 D C -0.322 175.992 176.300 0.023 0.000 1.141 191 D CA 0.413 54.425 54.000 0.021 0.000 0.875 191 D CB 0.660 41.473 40.800 0.022 0.000 1.192 191 D HN 0.571 nan 8.370 nan 0.000 0.450 192 A N 1.184 124.019 122.820 0.024 0.000 2.525 192 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 192 A C -0.128 177.469 177.584 0.021 0.000 1.268 192 A CA -0.697 51.356 52.037 0.026 0.000 0.712 192 A CB 1.040 20.060 19.000 0.033 0.000 1.320 192 A HN 0.408 nan 8.150 nan 0.000 0.456 193 T N 1.392 115.958 114.554 0.020 0.000 2.940 193 T HA 0.440 4.790 4.350 -0.000 0.000 0.309 193 T C -2.253 172.455 174.700 0.013 0.000 1.056 193 T CA -0.692 61.418 62.100 0.016 0.000 1.137 193 T CB -0.172 68.705 68.868 0.014 0.000 0.976 193 T HN 0.335 nan 8.240 nan 0.000 0.547 194 P HA 0.389 nan 4.420 nan 0.000 0.270 194 P C -0.875 176.427 177.300 0.003 0.000 1.227 194 P CA -0.244 62.862 63.100 0.009 0.000 0.788 194 P CB 0.289 31.996 31.700 0.011 0.000 0.926 195 L N -2.533 118.690 121.223 -0.001 0.000 2.710 195 L HA 0.665 5.005 4.340 -0.000 0.000 0.260 195 L C -0.660 176.204 176.870 -0.010 0.000 0.993 195 L CA -0.978 53.857 54.840 -0.008 0.000 0.877 195 L CB 1.828 43.877 42.059 -0.017 0.000 1.461 195 L HN 0.369 nan 8.230 nan 0.000 0.413 196 T N -0.708 113.838 114.554 -0.012 0.000 2.904 196 T HA 0.298 4.648 4.350 -0.000 0.000 0.290 196 T C 0.879 175.567 174.700 -0.020 0.000 1.018 196 T CA -0.379 61.718 62.100 -0.005 0.000 1.075 196 T CB 1.515 70.387 68.868 0.007 0.000 0.986 196 T HN 0.722 nan 8.240 nan 0.000 0.523 197 L N 2.696 123.916 121.223 -0.005 0.000 2.083 197 L HA 0.171 4.511 4.340 -0.000 0.000 0.209 197 L C 2.515 179.374 176.870 -0.019 0.000 1.083 197 L CA 2.382 57.210 54.840 -0.019 0.000 0.752 197 L CB -1.350 40.703 42.059 -0.009 0.000 0.899 197 L HN 0.993 nan 8.230 nan 0.000 0.433 198 G N -1.554 107.272 108.800 0.042 0.000 2.422 198 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 198 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 198 G C 1.470 176.324 174.900 -0.077 0.000 1.146 198 G CA 0.759 45.862 45.100 0.005 0.000 0.769 198 G HN 0.535 nan 8.290 nan 0.000 0.547 199 Q N -0.401 119.356 119.800 -0.073 0.000 2.123 199 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 199 Q C 2.393 178.299 176.000 -0.157 0.000 0.966 199 Q CA 1.133 56.884 55.803 -0.088 0.000 0.845 199 Q CB -0.101 28.604 28.738 -0.055 0.000 0.907 199 Q HN 0.662 nan 8.270 nan 0.000 0.439 200 E N 0.833 120.911 120.200 -0.203 0.000 2.077 200 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 200 E C 1.809 177.991 176.600 -0.697 0.000 0.989 200 E CA 0.843 57.047 56.400 -0.327 0.000 0.800 200 E CB 0.035 29.576 29.700 -0.266 0.000 0.746 200 E HN 0.339 nan 8.360 nan 0.000 0.452 201 I N 0.964 121.113 120.570 -0.702 0.000 2.439 201 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 201 I C 2.547 178.426 176.117 -0.398 0.000 1.139 201 I CA 0.965 61.727 61.300 -0.897 0.000 1.438 201 I CB -0.276 37.455 38.000 -0.448 0.000 1.085 201 I HN 0.177 nan 8.210 nan 0.000 0.427 202 S N 1.011 116.573 115.700 -0.229 0.000 2.419 202 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 202 S C 2.113 176.684 174.600 -0.048 0.000 1.016 202 S CA 1.095 59.240 58.200 -0.091 0.000 0.974 202 S CB -1.047 62.114 63.200 -0.065 0.000 0.786 202 S HN 0.484 nan 8.310 nan 0.000 0.492 203 G N 0.692 109.421 108.800 -0.118 0.000 2.402 203 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 203 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 203 G C 1.142 176.136 174.900 0.156 0.000 1.162 203 G CA 0.749 45.845 45.100 -0.007 0.000 0.777 203 G HN 0.571 nan 8.290 nan 0.000 0.539 204 W N 0.730 122.066 121.300 0.060 0.000 2.363 204 W HA 0.020 4.680 4.660 -0.000 0.000 0.296 204 W C 2.513 179.068 176.519 0.061 0.000 1.212 204 W CA 0.342 57.724 57.345 0.062 0.000 1.260 204 W CB -1.323 28.183 29.460 0.078 0.000 1.131 204 W HN 0.057 nan 8.180 nan 0.000 0.530 205 V N 1.178 121.246 119.914 0.256 0.000 2.261 205 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 205 V C 2.592 178.762 176.094 0.128 0.000 1.047 205 V CA 2.561 64.955 62.300 0.156 0.000 1.015 205 V CB -1.662 30.213 31.823 0.087 0.000 0.642 205 V HN 0.133 nan 8.190 nan 0.000 0.446 206 A N -0.752 122.147 122.820 0.131 0.000 1.978 206 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 206 A C 2.226 179.982 177.584 0.287 0.000 1.170 206 A CA 2.267 54.405 52.037 0.168 0.000 0.636 206 A CB -0.513 18.599 19.000 0.186 0.000 0.810 206 A HN 0.526 nan 8.150 nan 0.000 0.448 207 M N -0.705 119.037 119.600 0.237 0.000 2.086 207 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 207 M C 2.054 178.463 176.300 0.181 0.000 1.067 207 M CA 1.409 56.837 55.300 0.213 0.000 1.116 207 M CB -0.447 32.255 32.600 0.168 0.000 1.348 207 M HN 0.357 nan 8.290 nan 0.000 0.407 208 L N -0.397 120.910 121.223 0.140 0.000 2.093 208 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 208 L C 2.224 179.129 176.870 0.060 0.000 1.085 208 L CA 1.275 56.168 54.840 0.088 0.000 0.755 208 L CB -0.675 41.432 42.059 0.080 0.000 0.904 208 L HN 0.368 nan 8.230 nan 0.000 0.435 209 E N -0.743 119.483 120.200 0.044 0.000 2.106 209 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 209 E C 2.043 178.594 176.600 -0.081 0.000 0.984 209 E CA 1.095 57.467 56.400 -0.047 0.000 0.806 209 E CB -0.080 29.559 29.700 -0.102 0.000 0.750 209 E HN 0.566 nan 8.360 nan 0.000 0.458 210 H N 0.316 119.399 119.070 0.022 0.000 2.389 210 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 210 H C 1.963 177.347 175.328 0.094 0.000 1.081 210 H CA 1.152 57.221 56.048 0.035 0.000 1.345 210 H CB 0.158 29.987 29.762 0.112 0.000 1.393 210 H HN 0.071 nan 8.280 nan 0.000 0.520 211 N N 0.357 119.196 118.700 0.232 0.000 2.166 211 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 211 N C 1.927 177.478 175.510 0.069 0.000 1.019 211 N CA 0.685 53.845 53.050 0.184 0.000 0.856 211 N CB -0.179 38.362 38.487 0.089 0.000 0.993 211 N HN 0.229 nan 8.380 nan 0.000 0.426 212 L N 1.979 123.196 121.223 -0.010 0.000 2.017 212 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 212 L C 1.945 178.708 176.870 -0.179 0.000 1.073 212 L CA 1.821 56.614 54.840 -0.079 0.000 0.745 212 L CB -0.526 41.482 42.059 -0.085 0.000 0.894 212 L HN -0.144 nan 8.230 nan 0.000 0.432 213 K N -0.978 119.258 120.400 -0.273 0.000 2.063 213 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 213 K C 2.211 178.334 176.600 -0.795 0.000 1.048 213 K CA 1.570 57.500 56.287 -0.594 0.000 0.928 213 K CB -0.483 31.683 32.500 -0.556 0.000 0.713 213 K HN 0.470 nan 8.250 nan 0.000 0.442 214 H N -0.095 118.835 119.070 -0.233 0.000 2.353 214 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 214 H C 2.169 177.475 175.328 -0.037 0.000 1.090 214 H CA 1.602 57.643 56.048 -0.012 0.000 1.327 214 H CB -0.194 29.610 29.762 0.071 0.000 1.383 214 H HN 0.160 nan 8.280 nan 0.000 0.508 215 I N 0.902 121.491 120.570 0.031 0.000 2.252 215 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 215 I C 2.296 178.393 176.117 -0.033 0.000 1.102 215 I CA 1.145 62.450 61.300 0.008 0.000 1.385 215 I CB -0.214 37.774 38.000 -0.020 0.000 1.064 215 I HN 0.232 nan 8.210 nan 0.000 0.414 216 E N 0.098 120.208 120.200 -0.150 0.000 2.110 216 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 216 E C 2.055 178.627 176.600 -0.047 0.000 0.988 216 E CA 1.283 57.590 56.400 -0.153 0.000 0.804 216 E CB -0.134 29.408 29.700 -0.263 0.000 0.745 216 E HN 0.484 nan 8.360 nan 0.000 0.458 217 Y N 0.616 120.927 120.300 0.019 0.000 2.421 217 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 217 Y C 2.613 178.543 175.900 0.051 0.000 1.136 217 Y CA 1.041 59.159 58.100 0.030 0.000 1.255 217 Y CB -0.546 37.940 38.460 0.043 0.000 0.991 217 Y HN 0.056 nan 8.280 nan 0.000 0.552 218 S N -1.098 114.718 115.700 0.194 0.000 2.528 218 S HA 0.024 4.494 4.470 -0.000 0.000 0.219 218 S C 1.725 176.379 174.600 0.090 0.000 0.985 218 S CA 0.092 58.380 58.200 0.146 0.000 0.914 218 S CB -0.684 62.594 63.200 0.130 0.000 0.776 218 S HN 0.407 nan 8.310 nan 0.000 0.526 219 L N 1.744 123.004 121.223 0.061 0.000 2.027 219 L HA 0.026 4.366 4.340 -0.000 0.000 0.206 219 L C -0.320 176.556 176.870 0.011 0.000 1.074 219 L CA 1.185 56.030 54.840 0.008 0.000 0.745 219 L CB -1.982 40.063 42.059 -0.023 0.000 0.898 219 L HN 0.260 nan 8.230 nan 0.000 0.433 220 P HA -0.230 nan 4.420 nan 0.000 0.219 220 P C 1.177 178.545 177.300 0.114 0.000 1.146 220 P CA 1.726 64.858 63.100 0.052 0.000 0.808 220 P CB -0.184 31.548 31.700 0.052 0.000 0.779 221 H N 0.363 119.436 119.070 0.006 0.000 2.436 221 H HA 0.010 4.566 4.556 -0.000 0.000 0.294 221 H C 1.715 177.031 175.328 -0.020 0.000 1.048 221 H CA 0.781 56.838 56.048 0.016 0.000 1.353 221 H CB -0.748 29.026 29.762 0.019 0.000 1.414 221 H HN -0.153 nan 8.280 nan 0.000 0.536 222 V N 0.654 120.536 119.914 -0.054 0.000 2.667 222 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 222 V C 2.673 178.729 176.094 -0.063 0.000 1.065 222 V CA 1.241 63.337 62.300 -0.340 0.000 1.083 222 V CB -1.062 30.558 31.823 -0.337 0.000 0.692 222 V HN 0.538 nan 8.190 nan 0.000 0.468 223 A N -0.506 122.338 122.820 0.039 0.000 2.172 223 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 223 A C 1.037 178.798 177.584 0.296 0.000 1.154 223 A CA 0.420 52.519 52.037 0.102 0.000 0.701 223 A CB -0.402 18.564 19.000 -0.058 0.000 0.789 223 A HN 0.626 nan 8.150 nan 0.000 0.465 224 E N 0.343 120.722 120.200 0.298 0.000 2.257 224 E HA 0.383 4.733 4.350 -0.000 0.000 0.278 224 E C -1.010 175.749 176.600 0.266 0.000 1.049 224 E CA -0.175 56.387 56.400 0.270 0.000 0.876 224 E CB 0.688 30.548 29.700 0.266 0.000 1.035 224 E HN 0.411 nan 8.360 nan 0.000 0.419 225 L N 2.002 123.307 121.223 0.138 0.000 2.309 225 L HA 0.336 4.676 4.340 -0.000 0.000 0.282 225 L C 1.037 177.876 176.870 -0.051 0.000 1.036 225 L CA -0.477 54.364 54.840 0.002 0.000 0.806 225 L CB 1.397 43.431 42.059 -0.042 0.000 1.220 225 L HN 0.623 nan 8.230 nan 0.000 0.429 226 A N 3.148 125.897 122.820 -0.118 0.000 2.208 226 A HA 0.084 4.404 4.320 -0.000 0.000 0.209 226 A C 0.720 178.263 177.584 -0.068 0.000 1.161 226 A CA -0.017 51.962 52.037 -0.097 0.000 0.782 226 A CB -0.112 18.814 19.000 -0.125 0.000 0.816 226 A HN 0.524 nan 8.150 nan 0.000 0.477 227 L N 0.656 121.839 121.223 -0.067 0.000 2.615 227 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 227 L C 1.263 178.147 176.870 0.024 0.000 1.183 227 L CA 1.664 56.490 54.840 -0.023 0.000 0.933 227 L CB 0.019 42.034 42.059 -0.073 0.000 1.199 227 L HN 0.575 nan 8.230 nan 0.000 0.487 228 G N 2.602 111.470 108.800 0.114 0.000 2.480 228 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.193 228 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.193 228 G C 0.891 175.819 174.900 0.046 0.000 1.004 228 G CA 0.074 45.275 45.100 0.167 0.000 0.696 228 G HN 1.034 nan 8.290 nan 0.000 0.478 229 G N 0.711 109.497 108.800 -0.025 0.000 2.534 229 G HA2 0.389 4.349 3.960 -0.000 0.000 0.217 229 G HA3 0.389 4.349 3.960 -0.000 0.000 0.217 229 G C 1.439 176.293 174.900 -0.077 0.000 1.128 229 G CA 2.773 47.809 45.100 -0.106 0.000 0.784 229 G HN 2.127 nan 8.290 nan 0.000 0.542 230 T N -1.673 112.864 114.554 -0.027 0.000 11.211 230 T HA -0.365 3.985 4.350 -0.000 0.000 0.581 230 T C 1.873 176.562 174.700 -0.018 0.000 1.288 230 T CA 2.014 64.103 62.100 -0.019 0.000 3.104 230 T CB -1.444 67.410 68.868 -0.023 0.000 2.594 230 T HN 1.347 nan 8.240 nan 0.000 0.303 231 A N 1.084 123.898 122.820 -0.009 0.000 1.851 231 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 231 A C 2.789 180.382 177.584 0.014 0.000 1.195 231 A CA 4.078 56.117 52.037 0.004 0.000 0.622 231 A CB -1.108 17.897 19.000 0.008 0.000 0.831 231 A HN 2.124 nan 8.150 nan 0.000 0.444 232 V N -5.225 114.702 119.914 0.023 0.000 3.528 232 V HA 0.620 4.740 4.120 -0.000 0.000 0.294 232 V C 1.213 177.317 176.094 0.015 0.000 1.404 232 V CA 0.828 63.167 62.300 0.065 0.000 1.065 232 V CB -0.376 31.518 31.823 0.120 0.000 0.904 232 V HN 1.643 nan 8.190 nan 0.000 0.435 233 G N 1.275 109.991 108.800 -0.141 0.000 2.238 233 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 233 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 233 G C 1.071 175.645 174.900 -0.544 0.000 0.996 233 G CA 0.888 45.685 45.100 -0.504 0.000 0.632 233 G HN 1.005 nan 8.290 nan 0.000 0.503 234 T N -1.015 113.461 114.554 -0.130 0.000 2.962 234 T HA 0.339 4.689 4.350 -0.000 0.000 0.270 234 T C 2.584 177.279 174.700 -0.008 0.000 1.088 234 T CA 2.000 64.128 62.100 0.046 0.000 1.127 234 T CB -0.252 68.701 68.868 0.141 0.000 0.883 234 T HN 2.318 nan 8.240 nan 0.000 0.493 235 G N 1.041 109.817 108.800 -0.040 0.000 2.136 235 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 235 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 235 G C -0.043 174.852 174.900 -0.008 0.000 0.989 235 G CA 0.093 45.182 45.100 -0.019 0.000 0.682 235 G HN 0.732 nan 8.290 nan 0.000 0.522 236 L N 0.182 121.404 121.223 -0.003 0.000 2.525 236 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 236 L C 1.135 177.992 176.870 -0.022 0.000 1.218 236 L CA 1.053 55.891 54.840 -0.004 0.000 0.878 236 L CB 0.257 42.320 42.059 0.006 0.000 1.127 236 L HN 0.565 nan 8.230 nan 0.000 0.492 237 N N 1.898 120.581 118.700 -0.029 0.000 2.806 237 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 237 N C -1.396 174.067 175.510 -0.079 0.000 1.081 237 N CA 1.121 54.144 53.050 -0.046 0.000 0.680 237 N CB -0.632 37.830 38.487 -0.042 0.000 0.941 237 N HN 0.772 nan 8.380 nan 0.000 0.554 238 T N 0.312 114.825 114.554 -0.069 0.000 2.942 238 T HA 0.140 4.490 4.350 -0.000 0.000 0.327 238 T C -1.155 173.540 174.700 -0.009 0.000 1.360 238 T CA -0.660 61.379 62.100 -0.101 0.000 1.055 238 T CB 0.928 69.741 68.868 -0.091 0.000 1.261 238 T HN 0.365 nan 8.240 nan 0.000 0.485 239 H N 4.733 123.762 119.070 -0.068 0.000 2.803 239 H HA 0.210 4.766 4.556 -0.000 0.000 0.330 239 H C -1.171 174.197 175.328 0.067 0.000 1.057 239 H CA -1.173 54.882 56.048 0.013 0.000 1.458 239 H CB 1.120 30.905 29.762 0.038 0.000 1.470 239 H HN 0.220 nan 8.280 nan 0.000 0.560 240 P HA -0.235 nan 4.420 nan 0.000 0.218 240 P C 0.225 177.614 177.300 0.149 0.000 1.146 240 P CA 1.557 64.660 63.100 0.005 0.000 0.820 240 P CB 0.327 31.966 31.700 -0.101 0.000 0.778 241 E N -2.543 117.867 120.200 0.350 0.000 2.474 241 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 241 E C 1.753 178.481 176.600 0.214 0.000 1.041 241 E CA -0.270 56.287 56.400 0.262 0.000 0.874 241 E CB -0.386 29.469 29.700 0.259 0.000 0.914 241 E HN 0.212 nan 8.360 nan 0.000 0.498 242 Y N 2.188 122.568 120.300 0.134 0.000 2.053 242 Y HA -0.358 4.192 4.550 -0.000 0.000 0.277 242 Y C 2.390 178.304 175.900 0.024 0.000 1.159 242 Y CA 2.020 60.153 58.100 0.055 0.000 1.125 242 Y CB -0.566 37.933 38.460 0.064 0.000 0.969 242 Y HN 0.046 nan 8.280 nan 0.000 0.492 243 A N 0.601 123.458 122.820 0.061 0.000 1.884 243 A HA -0.327 3.993 4.320 -0.000 0.000 0.219 243 A C 2.442 179.968 177.584 -0.096 0.000 1.197 243 A CA 2.456 54.464 52.037 -0.048 0.000 0.637 243 A CB -1.045 17.977 19.000 0.037 0.000 0.827 243 A HN 0.608 nan 8.150 nan 0.000 0.450 244 R N -0.652 119.827 120.500 -0.035 0.000 2.066 244 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 244 R C 2.457 178.719 176.300 -0.062 0.000 1.131 244 R CA 1.488 57.572 56.100 -0.028 0.000 0.955 244 R CB -0.284 30.021 30.300 0.008 0.000 0.851 244 R HN 0.557 nan 8.270 nan 0.000 0.432 245 R N -0.045 120.408 120.500 -0.080 0.000 2.073 245 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 245 R C 2.362 178.563 176.300 -0.164 0.000 1.134 245 R CA 1.583 57.623 56.100 -0.099 0.000 0.952 245 R CB -0.666 29.585 30.300 -0.081 0.000 0.850 245 R HN 0.146 nan 8.270 nan 0.000 0.433 246 V N 0.948 120.675 119.914 -0.311 0.000 2.490 246 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 246 V C 2.142 178.105 176.094 -0.219 0.000 1.061 246 V CA 1.991 64.083 62.300 -0.348 0.000 1.064 246 V CB -0.292 31.142 31.823 -0.647 0.000 0.670 246 V HN 0.438 nan 8.190 nan 0.000 0.461 247 A N -0.925 121.794 122.820 -0.169 0.000 1.930 247 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 247 A C 2.016 179.583 177.584 -0.028 0.000 1.175 247 A CA 1.695 53.679 52.037 -0.089 0.000 0.627 247 A CB -0.549 18.429 19.000 -0.037 0.000 0.815 247 A HN 0.607 nan 8.150 nan 0.000 0.443 248 D N -0.598 119.781 120.400 -0.035 0.000 2.117 248 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 248 D C 1.938 178.232 176.300 -0.010 0.000 0.982 248 D CA 1.585 55.581 54.000 -0.006 0.000 0.828 248 D CB -0.148 40.644 40.800 -0.014 0.000 0.967 248 D HN 0.504 nan 8.370 nan 0.000 0.464 249 E N 0.856 121.029 120.200 -0.045 0.000 2.038 249 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 249 E C 2.049 178.629 176.600 -0.032 0.000 1.000 249 E CA 0.569 56.943 56.400 -0.043 0.000 0.803 249 E CB -0.451 29.207 29.700 -0.071 0.000 0.750 249 E HN 0.032 nan 8.360 nan 0.000 0.448 250 L N 0.574 121.757 121.223 -0.067 0.000 1.990 250 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 250 L C 2.378 179.289 176.870 0.067 0.000 1.072 250 L CA 2.239 57.027 54.840 -0.086 0.000 0.755 250 L CB -1.635 40.264 42.059 -0.267 0.000 0.889 250 L HN 0.281 nan 8.230 nan 0.000 0.432 251 A N -1.253 121.654 122.820 0.146 0.000 1.892 251 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 251 A C 2.394 180.049 177.584 0.119 0.000 1.188 251 A CA 2.232 54.402 52.037 0.222 0.000 0.631 251 A CB -1.012 18.080 19.000 0.153 0.000 0.822 251 A HN 0.269 nan 8.150 nan 0.000 0.447 252 V N 1.084 121.036 119.914 0.063 0.000 2.261 252 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 252 V C 2.495 178.611 176.094 0.036 0.000 1.047 252 V CA 2.074 64.397 62.300 0.037 0.000 1.015 252 V CB -0.886 30.947 31.823 0.017 0.000 0.642 252 V HN 0.778 nan 8.190 nan 0.000 0.446 253 I N -0.238 120.351 120.570 0.032 0.000 3.001 253 I HA -0.080 4.090 4.170 -0.000 0.000 0.268 253 I C 1.993 178.137 176.117 0.045 0.000 1.267 253 I CA 1.773 63.089 61.300 0.025 0.000 1.472 253 I CB -0.649 37.353 38.000 0.004 0.000 1.089 253 I HN 0.497 nan 8.210 nan 0.000 0.468 254 T N -4.028 110.578 114.554 0.087 0.000 2.971 254 T HA 0.167 4.517 4.350 -0.000 0.000 0.252 254 T C 1.116 175.870 174.700 0.091 0.000 1.022 254 T CA 0.618 62.790 62.100 0.120 0.000 0.980 254 T CB -0.323 68.698 68.868 0.254 0.000 1.044 254 T HN 0.454 nan 8.240 nan 0.000 0.501 255 C N 1.439 120.785 119.300 0.076 0.000 4.497 255 C HA 0.031 4.491 4.460 -0.000 0.000 0.268 255 C C 1.052 176.042 174.990 0.000 0.000 1.343 255 C CA -0.236 58.802 59.018 0.034 0.000 1.742 255 C CB -2.612 25.139 27.740 0.017 0.000 1.450 255 C HN 1.049 nan 8.230 nan 0.000 0.733 256 A N 0.881 123.701 122.820 -0.001 0.000 2.312 256 A HA 0.700 5.020 4.320 -0.000 0.000 0.326 256 A C -1.320 176.126 177.584 -0.231 0.000 1.172 256 A CA -1.190 50.727 52.037 -0.200 0.000 0.821 256 A CB 0.659 19.398 19.000 -0.436 0.000 1.166 256 A HN 0.303 nan 8.150 nan 0.000 0.493 257 P HA 0.072 nan 4.420 nan 0.000 0.237 257 P C -0.766 176.448 177.300 -0.144 0.000 1.701 257 P CA 0.152 63.164 63.100 -0.146 0.000 0.955 257 P CB -0.725 30.906 31.700 -0.114 0.000 1.937 258 F N 1.345 121.297 119.950 0.004 0.000 2.471 258 F HA 0.179 4.706 4.527 -0.000 0.000 0.353 258 F C 1.395 177.198 175.800 0.005 0.000 1.113 258 F CA 0.104 58.109 58.000 0.008 0.000 1.262 258 F CB 0.674 39.673 39.000 -0.001 0.000 1.146 258 F HN 0.018 nan 8.300 nan 0.000 0.578 259 V N -0.824 119.225 119.914 0.226 0.000 3.049 259 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 259 V C -0.373 175.785 176.094 0.106 0.000 1.148 259 V CA -0.926 61.447 62.300 0.122 0.000 0.990 259 V CB 1.279 33.151 31.823 0.082 0.000 1.039 259 V HN 0.709 nan 8.190 nan 0.000 0.430 260 T N 2.444 117.031 114.554 0.056 0.000 2.919 260 T HA 0.577 4.927 4.350 -0.000 0.000 0.302 260 T C 0.502 175.229 174.700 0.046 0.000 1.031 260 T CA 0.523 62.642 62.100 0.032 0.000 1.127 260 T CB 0.564 69.435 68.868 0.006 0.000 0.952 260 T HN 1.830 nan 8.240 nan 0.000 0.540 261 A N 7.318 130.163 122.820 0.041 0.000 2.492 261 A HA 0.368 4.688 4.320 -0.000 0.000 0.254 261 A C -0.732 176.874 177.584 0.037 0.000 1.091 261 A CA -1.163 50.906 52.037 0.053 0.000 0.768 261 A CB 0.048 19.077 19.000 0.047 0.000 1.028 261 A HN 0.775 nan 8.150 nan 0.000 0.498 262 P HA -0.145 nan 4.420 nan 0.000 0.216 262 P C 0.234 177.567 177.300 0.055 0.000 1.150 262 P CA 1.343 64.468 63.100 0.042 0.000 0.837 262 P CB 0.037 31.758 31.700 0.035 0.000 0.786 263 N N -0.387 118.352 118.700 0.065 0.000 2.483 263 N HA 0.111 4.851 4.740 -0.000 0.000 0.267 263 N C 0.915 176.450 175.510 0.041 0.000 0.998 263 N CA -0.465 52.648 53.050 0.105 0.000 0.918 263 N CB 0.896 39.474 38.487 0.152 0.000 1.215 263 N HN -0.361 nan 8.380 nan 0.000 0.500 264 K N 2.402 122.739 120.400 -0.104 0.000 2.288 264 K HA 0.030 4.350 4.320 -0.000 0.000 0.201 264 K C 0.698 177.109 176.600 -0.314 0.000 1.048 264 K CA 0.892 57.021 56.287 -0.263 0.000 0.956 264 K CB -0.146 32.108 32.500 -0.409 0.000 0.746 264 K HN 0.562 nan 8.250 nan 0.000 0.461 265 F N 1.684 121.661 119.950 0.045 0.000 2.206 265 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 265 F C 2.472 178.304 175.800 0.055 0.000 1.090 265 F CA 0.911 58.941 58.000 0.049 0.000 1.323 265 F CB -0.283 38.746 39.000 0.048 0.000 1.028 265 F HN 0.095 nan 8.300 nan 0.000 0.492 266 E N 1.134 121.459 120.200 0.208 0.000 2.107 266 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 266 E C 2.255 178.924 176.600 0.115 0.000 0.982 266 E CA 1.075 57.568 56.400 0.156 0.000 0.809 266 E CB -0.142 29.648 29.700 0.149 0.000 0.756 266 E HN 0.310 nan 8.360 nan 0.000 0.459 267 A N 1.312 124.175 122.820 0.072 0.000 1.898 267 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 267 A C 2.376 179.957 177.584 -0.005 0.000 1.181 267 A CA 0.950 53.002 52.037 0.024 0.000 0.620 267 A CB -0.452 18.536 19.000 -0.020 0.000 0.819 267 A HN 0.287 nan 8.150 nan 0.000 0.442 268 L N -1.317 119.906 121.223 -0.000 0.000 2.162 268 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 268 L C 2.850 179.756 176.870 0.060 0.000 1.086 268 L CA 0.996 55.844 54.840 0.013 0.000 0.778 268 L CB -0.511 41.545 42.059 -0.004 0.000 0.928 268 L HN 0.417 nan 8.230 nan 0.000 0.446 269 A N -0.464 122.411 122.820 0.092 0.000 2.167 269 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 269 A C 1.129 178.766 177.584 0.089 0.000 1.151 269 A CA 1.173 53.274 52.037 0.107 0.000 0.735 269 A CB -0.428 18.654 19.000 0.136 0.000 0.802 269 A HN 0.482 nan 8.150 nan 0.000 0.467 270 T N -6.267 108.335 114.554 0.080 0.000 2.812 270 T HA 0.388 4.738 4.350 -0.000 0.000 0.294 270 T C -0.333 174.403 174.700 0.060 0.000 1.159 270 T CA -0.172 61.969 62.100 0.070 0.000 1.008 270 T CB 1.386 70.298 68.868 0.073 0.000 1.289 270 T HN 0.095 nan 8.240 nan 0.000 0.514 271 C N 1.323 120.653 119.300 0.049 0.000 2.849 271 C HA 0.358 4.818 4.460 -0.000 0.000 0.271 271 C C 1.621 176.610 174.990 -0.001 0.000 1.519 271 C CA -0.508 58.532 59.018 0.036 0.000 1.783 271 C CB -1.518 26.246 27.740 0.039 0.000 2.869 271 C HN 0.919 nan 8.230 nan 0.000 0.527 272 D N 2.424 122.832 120.400 0.013 0.000 2.149 272 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 272 D C 2.194 178.420 176.300 -0.124 0.000 1.001 272 D CA 2.003 56.009 54.000 0.010 0.000 0.849 272 D CB -0.191 40.681 40.800 0.119 0.000 0.939 272 D HN 0.534 nan 8.370 nan 0.000 0.449 273 A N 0.340 122.918 122.820 -0.402 0.000 1.940 273 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 273 A C 2.394 179.765 177.584 -0.354 0.000 1.176 273 A CA 1.060 52.660 52.037 -0.728 0.000 0.631 273 A CB -0.661 17.793 19.000 -0.910 0.000 0.814 273 A HN 0.253 nan 8.150 nan 0.000 0.446 274 L N -0.887 120.173 121.223 -0.272 0.000 2.179 274 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 274 L C 2.437 179.314 176.870 0.011 0.000 1.096 274 L CA 0.547 55.224 54.840 -0.273 0.000 0.779 274 L CB -0.438 41.401 42.059 -0.366 0.000 0.922 274 L HN 0.223 nan 8.230 nan 0.000 0.443 275 V N -0.394 119.528 119.914 0.013 0.000 2.343 275 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 275 V C 2.563 178.725 176.094 0.113 0.000 1.051 275 V CA 1.538 63.881 62.300 0.072 0.000 1.036 275 V CB -0.441 31.402 31.823 0.035 0.000 0.654 275 V HN 0.473 nan 8.190 nan 0.000 0.451 276 Q N -0.292 119.553 119.800 0.075 0.000 2.083 276 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 276 Q C 2.474 178.552 176.000 0.130 0.000 0.969 276 Q CA 1.746 57.607 55.803 0.098 0.000 0.838 276 Q CB -0.526 28.272 28.738 0.100 0.000 0.900 276 Q HN 0.634 nan 8.270 nan 0.000 0.436 277 A N 0.202 123.103 122.820 0.136 0.000 1.933 277 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 277 A C 1.828 179.585 177.584 0.289 0.000 1.175 277 A CA 1.870 54.032 52.037 0.209 0.000 0.628 277 A CB -0.787 18.342 19.000 0.215 0.000 0.814 277 A HN 0.433 nan 8.150 nan 0.000 0.444 278 H N -0.648 118.605 119.070 0.304 0.000 2.491 278 H HA 0.057 4.613 4.556 -0.000 0.000 0.290 278 H C 2.097 177.461 175.328 0.060 0.000 1.050 278 H CA 1.215 57.367 56.048 0.173 0.000 1.309 278 H CB -0.209 29.683 29.762 0.218 0.000 1.392 278 H HN 0.401 nan 8.280 nan 0.000 0.554 279 G N -0.219 108.676 108.800 0.159 0.000 2.422 279 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 279 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 279 G C 1.837 176.735 174.900 -0.003 0.000 1.146 279 G CA 0.631 45.776 45.100 0.076 0.000 0.769 279 G HN 0.526 nan 8.290 nan 0.000 0.547 280 A N 0.405 123.228 122.820 0.005 0.000 1.969 280 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 280 A C 2.407 179.935 177.584 -0.092 0.000 1.169 280 A CA 0.983 53.007 52.037 -0.022 0.000 0.635 280 A CB -0.283 18.748 19.000 0.051 0.000 0.810 280 A HN 0.354 nan 8.150 nan 0.000 0.445 281 L N -0.294 120.821 121.223 -0.179 0.000 2.056 281 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 281 L C 2.559 179.266 176.870 -0.272 0.000 1.078 281 L CA 1.869 56.529 54.840 -0.301 0.000 0.749 281 L CB -0.510 41.204 42.059 -0.575 0.000 0.901 281 L HN 0.518 nan 8.230 nan 0.000 0.433 282 K N 0.580 120.831 120.400 -0.248 0.000 2.283 282 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 282 K C 1.840 178.381 176.600 -0.098 0.000 1.048 282 K CA 1.372 57.579 56.287 -0.133 0.000 0.948 282 K CB -1.013 31.469 32.500 -0.030 0.000 0.742 282 K HN 0.144 nan 8.250 nan 0.000 0.458 283 G N 1.296 110.035 108.800 -0.103 0.000 2.394 283 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 283 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 283 G C 1.405 176.254 174.900 -0.084 0.000 1.165 283 G CA 0.672 45.714 45.100 -0.097 0.000 0.784 283 G HN 0.285 nan 8.290 nan 0.000 0.535 284 L N 1.470 122.639 121.223 -0.090 0.000 2.083 284 L HA 0.201 4.541 4.340 -0.000 0.000 0.209 284 L C 2.963 179.775 176.870 -0.097 0.000 1.083 284 L CA 2.043 56.835 54.840 -0.079 0.000 0.752 284 L CB -0.700 41.307 42.059 -0.087 0.000 0.899 284 L HN 0.219 nan 8.230 nan 0.000 0.433 285 A N -0.338 122.414 122.820 -0.113 0.000 1.902 285 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 285 A C 2.461 179.989 177.584 -0.093 0.000 1.181 285 A CA 1.817 53.788 52.037 -0.110 0.000 0.623 285 A CB -1.144 17.792 19.000 -0.107 0.000 0.818 285 A HN 0.587 nan 8.150 nan 0.000 0.443 286 A N -0.648 122.126 122.820 -0.076 0.000 1.930 286 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 286 A C 2.440 179.986 177.584 -0.063 0.000 1.175 286 A CA 1.989 53.989 52.037 -0.061 0.000 0.627 286 A CB -0.765 18.205 19.000 -0.050 0.000 0.815 286 A HN 0.454 nan 8.150 nan 0.000 0.443 287 S N 0.016 115.679 115.700 -0.062 0.000 2.355 287 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 287 S C 1.837 176.376 174.600 -0.102 0.000 1.031 287 S CA 1.374 59.542 58.200 -0.052 0.000 0.993 287 S CB -0.471 62.715 63.200 -0.023 0.000 0.859 287 S HN 0.505 nan 8.310 nan 0.000 0.453 288 L N 0.651 121.794 121.223 -0.134 0.000 2.042 288 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 288 L C 2.573 179.297 176.870 -0.244 0.000 1.076 288 L CA 1.319 56.028 54.840 -0.218 0.000 0.749 288 L CB -0.486 41.442 42.059 -0.217 0.000 0.893 288 L HN 0.348 nan 8.230 nan 0.000 0.432 289 M N -0.080 119.420 119.600 -0.166 0.000 2.108 289 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 289 M C 2.282 178.512 176.300 -0.117 0.000 1.066 289 M CA 1.817 57.038 55.300 -0.132 0.000 1.107 289 M CB -0.296 32.255 32.600 -0.081 0.000 1.356 289 M HN -0.056 nan 8.290 nan 0.000 0.406 290 K N 0.354 120.693 120.400 -0.101 0.000 2.057 290 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 290 K C 1.880 178.394 176.600 -0.144 0.000 1.050 290 K CA 1.781 58.028 56.287 -0.066 0.000 0.935 290 K CB -0.449 32.037 32.500 -0.022 0.000 0.715 290 K HN 0.520 nan 8.250 nan 0.000 0.439 291 I N 0.905 121.296 120.570 -0.299 0.000 2.179 291 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 291 I C 2.524 178.321 176.117 -0.533 0.000 1.088 291 I CA 1.199 62.115 61.300 -0.640 0.000 1.357 291 I CB -0.432 37.147 38.000 -0.701 0.000 1.051 291 I HN 0.115 nan 8.210 nan 0.000 0.409 292 A N 1.002 123.565 122.820 -0.429 0.000 1.902 292 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 292 A C 2.103 179.609 177.584 -0.130 0.000 1.181 292 A CA 1.894 53.728 52.037 -0.337 0.000 0.623 292 A CB -0.672 18.103 19.000 -0.375 0.000 0.818 292 A HN 0.413 nan 8.150 nan 0.000 0.443 293 N N 0.348 119.008 118.700 -0.066 0.000 2.120 293 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 293 N C 1.213 176.862 175.510 0.231 0.000 1.024 293 N CA 1.565 54.679 53.050 0.106 0.000 0.852 293 N CB -0.465 38.124 38.487 0.170 0.000 1.003 293 N HN 0.419 nan 8.380 nan 0.000 0.424 294 D N 0.505 120.984 120.400 0.132 0.000 2.104 294 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 294 D C 2.123 178.561 176.300 0.229 0.000 0.994 294 D CA 0.600 54.740 54.000 0.234 0.000 0.830 294 D CB -0.385 40.593 40.800 0.296 0.000 0.959 294 D HN -0.024 nan 8.370 nan 0.000 0.452 295 V N 1.694 121.646 119.914 0.065 0.000 2.287 295 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 295 V C 2.488 178.646 176.094 0.107 0.000 1.053 295 V CA 2.290 64.654 62.300 0.107 0.000 1.027 295 V CB -0.587 31.284 31.823 0.081 0.000 0.646 295 V HN 0.309 nan 8.190 nan 0.000 0.447 296 R N -1.195 119.332 120.500 0.045 0.000 2.115 296 R HA -0.156 4.184 4.340 -0.000 0.000 0.226 296 R C 2.070 178.312 176.300 -0.097 0.000 1.100 296 R CA 1.727 57.790 56.100 -0.061 0.000 0.980 296 R CB -0.705 29.494 30.300 -0.168 0.000 0.875 296 R HN 0.521 nan 8.270 nan 0.000 0.445 297 W N 0.655 121.981 121.300 0.044 0.000 2.418 297 W HA 0.040 4.700 4.660 -0.000 0.000 0.292 297 W C 1.765 178.318 176.519 0.056 0.000 1.213 297 W CA -0.114 57.258 57.345 0.046 0.000 1.283 297 W CB -0.098 29.390 29.460 0.047 0.000 1.119 297 W HN 0.021 nan 8.180 nan 0.000 0.542 298 L N 0.100 121.503 121.223 0.300 0.000 2.275 298 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 298 L C 2.161 179.113 176.870 0.137 0.000 1.119 298 L CA 1.772 56.739 54.840 0.213 0.000 0.790 298 L CB -1.180 41.017 42.059 0.229 0.000 0.919 298 L HN 0.001 nan 8.230 nan 0.000 0.443 299 A N -1.882 121.001 122.820 0.105 0.000 2.348 299 A HA 0.179 4.499 4.320 -0.000 0.000 0.224 299 A C 1.145 178.745 177.584 0.027 0.000 1.227 299 A CA 0.332 52.402 52.037 0.054 0.000 0.885 299 A CB -0.469 18.553 19.000 0.037 0.000 0.933 299 A HN 0.384 nan 8.150 nan 0.000 0.506 300 S N -0.668 115.052 115.700 0.034 0.000 2.560 300 S HA 0.542 5.012 4.470 -0.000 0.000 0.284 300 S C 0.638 175.255 174.600 0.028 0.000 1.327 300 S CA 0.375 58.575 58.200 0.000 0.000 1.055 300 S CB 1.052 64.258 63.200 0.009 0.000 0.868 300 S HN 1.653 nan 8.310 nan 0.000 0.506 301 G N 1.959 110.763 108.800 0.006 0.000 2.553 301 G HA2 0.218 4.178 3.960 -0.000 0.000 0.106 301 G HA3 0.218 4.178 3.960 -0.000 0.000 0.106 301 G C -2.249 172.652 174.900 0.003 0.000 1.126 301 G CA -0.086 45.024 45.100 0.016 0.000 1.075 301 G HN 0.615 nan 8.290 nan 0.000 0.472 302 P HA 0.156 nan 4.420 nan 0.000 0.227 302 P C 1.155 178.464 177.300 0.015 0.000 1.161 302 P CA 0.631 63.737 63.100 0.009 0.000 0.788 302 P CB 0.291 31.993 31.700 0.004 0.000 0.822 303 R N -0.644 119.865 120.500 0.015 0.000 2.195 303 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 303 R C 1.203 177.518 176.300 0.026 0.000 0.990 303 R CA 0.600 56.711 56.100 0.018 0.000 1.048 303 R CB -0.636 29.672 30.300 0.013 0.000 0.997 303 R HN 0.201 nan 8.270 nan 0.000 0.502 304 C N 0.673 119.991 119.300 0.030 0.000 2.548 304 C HA 0.567 5.027 4.460 -0.000 0.000 0.297 304 C C 1.120 176.147 174.990 0.061 0.000 1.422 304 C CA -0.844 58.198 59.018 0.040 0.000 1.785 304 C CB -0.289 27.472 27.740 0.035 0.000 2.593 304 C HN 0.439 nan 8.230 nan 0.000 0.545 305 G N 0.250 109.091 108.800 0.068 0.000 3.302 305 G HA2 0.549 4.509 3.960 -0.000 0.000 0.170 305 G HA3 0.549 4.509 3.960 -0.000 0.000 0.170 305 G C 0.494 175.461 174.900 0.111 0.000 1.119 305 G CA -0.207 44.957 45.100 0.108 0.000 0.826 305 G HN 0.135 nan 8.290 nan 0.000 0.646 306 I N 0.490 121.141 120.570 0.134 0.000 2.729 306 I HA 0.188 4.358 4.170 -0.000 0.000 0.256 306 I C 2.090 178.255 176.117 0.081 0.000 1.115 306 I CA 0.852 62.222 61.300 0.117 0.000 1.446 306 I CB -0.086 38.008 38.000 0.158 0.000 1.176 306 I HN 0.700 nan 8.210 nan 0.000 0.446 307 G N 2.043 110.888 108.800 0.076 0.000 2.321 307 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.287 307 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.287 307 G C 0.605 175.526 174.900 0.034 0.000 1.018 307 G CA 0.724 45.853 45.100 0.047 0.000 0.855 307 G HN 0.509 nan 8.290 nan 0.000 0.507 308 E N -0.918 119.308 120.200 0.044 0.000 2.216 308 E HA 0.151 4.501 4.350 -0.000 0.000 0.192 308 E C 1.611 178.204 176.600 -0.012 0.000 0.988 308 E CA 1.066 57.477 56.400 0.018 0.000 0.834 308 E CB 0.144 29.862 29.700 0.030 0.000 0.772 308 E HN 0.921 nan 8.360 nan 0.000 0.479 309 I N -2.584 117.993 120.570 0.011 0.000 3.042 309 I HA 0.468 4.638 4.170 -0.000 0.000 0.310 309 I C -0.656 175.465 176.117 0.007 0.000 1.117 309 I CA -1.194 60.100 61.300 -0.011 0.000 1.003 309 I CB 2.386 40.402 38.000 0.027 0.000 1.228 309 I HN -0.258 nan 8.210 nan 0.000 0.443 310 S N 3.903 119.602 115.700 -0.001 0.000 2.526 310 S HA 0.813 5.283 4.470 -0.000 0.000 0.293 310 S C -0.530 174.080 174.600 0.015 0.000 1.092 310 S CA -0.711 57.492 58.200 0.006 0.000 0.980 310 S CB 1.663 64.863 63.200 -0.001 0.000 1.048 310 S HN 0.821 nan 8.310 nan 0.000 0.483 311 I N -1.421 119.155 120.570 0.011 0.000 2.797 311 I HA 0.707 4.877 4.170 -0.000 0.000 0.307 311 I C -2.985 173.130 176.117 -0.003 0.000 1.033 311 I CA -3.087 58.215 61.300 0.003 0.000 1.071 311 I CB 0.970 38.967 38.000 -0.004 0.000 1.255 311 I HN 0.302 nan 8.210 nan 0.000 0.445 312 P HA 0.058 nan 4.420 nan 0.000 0.264 312 P C -0.971 176.323 177.300 -0.010 0.000 1.193 312 P CA 0.075 63.172 63.100 -0.005 0.000 0.763 312 P CB 0.411 32.111 31.700 0.000 0.000 0.810 313 E N 3.074 123.267 120.200 -0.011 0.000 2.105 313 E HA 0.072 4.422 4.350 -0.000 0.000 0.285 313 E C 0.197 176.781 176.600 -0.026 0.000 1.055 313 E CA -0.298 56.091 56.400 -0.018 0.000 0.843 313 E CB 0.155 29.846 29.700 -0.014 0.000 1.067 313 E HN 0.293 nan 8.360 nan 0.000 0.398 314 N N 4.261 122.936 118.700 -0.040 0.000 2.280 314 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 314 N C -0.569 174.901 175.510 -0.067 0.000 1.109 314 N CA 0.351 53.361 53.050 -0.066 0.000 0.855 314 N CB 0.495 38.911 38.487 -0.118 0.000 0.974 314 N HN 0.613 nan 8.380 nan 0.000 0.482 315 E N 0.610 120.781 120.200 -0.049 0.000 2.433 315 E HA 0.437 4.787 4.350 -0.000 0.000 0.278 315 E C -2.704 173.878 176.600 -0.030 0.000 0.976 315 E CA -1.463 54.912 56.400 -0.042 0.000 0.793 315 E CB 1.235 30.908 29.700 -0.045 0.000 1.311 315 E HN -0.167 nan 8.360 nan 0.000 0.460 322 P HA -0.048 nan 4.420 nan 0.000 0.205 322 P C 1.454 178.751 177.300 -0.006 0.000 1.181 322 P CA 1.464 64.561 63.100 -0.005 0.000 0.933 322 P CB 0.105 31.803 31.700 -0.003 0.000 0.775 323 G N -0.671 108.127 108.800 -0.005 0.000 3.061 323 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.208 323 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.208 323 G C 0.405 175.301 174.900 -0.008 0.000 1.175 323 G CA -0.263 44.834 45.100 -0.005 0.000 0.812 323 G HN 0.261 nan 8.290 nan 0.000 0.523 324 K N 1.035 121.429 120.400 -0.010 0.000 2.336 324 K HA 0.295 4.615 4.320 -0.000 0.000 0.290 324 K C -0.812 175.778 176.600 -0.017 0.000 1.067 324 K CA -0.181 56.097 56.287 -0.014 0.000 0.962 324 K CB 0.377 32.868 32.500 -0.015 0.000 1.008 324 K HN -0.078 nan 8.250 nan 0.000 0.467 325 V N 5.526 125.428 119.914 -0.020 0.000 2.304 325 V HA 0.145 4.265 4.120 -0.000 0.000 0.278 325 V C -0.504 175.572 176.094 -0.030 0.000 1.018 325 V CA -1.188 61.099 62.300 -0.021 0.000 0.814 325 V CB 0.995 32.809 31.823 -0.016 0.000 1.021 325 V HN 0.753 nan 8.190 nan 0.000 0.440 326 N N 6.631 125.311 118.700 -0.033 0.000 2.513 326 N HA 0.244 4.984 4.740 -0.000 0.000 0.268 326 N C -2.016 173.473 175.510 -0.036 0.000 1.180 326 N CA -1.437 51.587 53.050 -0.042 0.000 0.948 326 N CB 1.193 39.656 38.487 -0.040 0.000 1.083 326 N HN 0.405 nan 8.380 nan 0.000 0.455 327 P HA 0.062 nan 4.420 nan 0.000 0.220 327 P C 0.659 177.954 177.300 -0.008 0.000 1.806 327 P CA -0.134 62.952 63.100 -0.022 0.000 0.976 327 P CB -0.509 31.166 31.700 -0.041 0.000 1.952 328 T N -1.866 112.685 114.554 -0.006 0.000 2.720 328 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 328 T C 1.774 176.493 174.700 0.032 0.000 1.037 328 T CA 1.087 63.187 62.100 -0.000 0.000 1.144 328 T CB -0.550 68.312 68.868 -0.011 0.000 0.864 328 T HN 0.081 nan 8.240 nan 0.000 0.444 329 Q N 0.307 120.149 119.800 0.070 0.000 2.124 329 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 329 Q C 2.752 178.860 176.000 0.181 0.000 0.977 329 Q CA 1.226 57.118 55.803 0.148 0.000 0.850 329 Q CB -1.106 27.750 28.738 0.197 0.000 0.901 329 Q HN 0.659 nan 8.270 nan 0.000 0.429 330 C N 0.733 120.125 119.300 0.154 0.000 2.440 330 C HA -0.094 4.366 4.460 -0.000 0.000 0.278 330 C C 2.483 177.464 174.990 -0.015 0.000 1.295 330 C CA 0.500 59.561 59.018 0.073 0.000 1.738 330 C CB -0.650 27.122 27.740 0.054 0.000 1.987 330 C HN 0.557 nan 8.230 nan 0.000 0.492 331 E N 0.829 121.023 120.200 -0.009 0.000 2.150 331 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 331 E C 2.315 178.902 176.600 -0.021 0.000 0.985 331 E CA 1.190 57.574 56.400 -0.028 0.000 0.814 331 E CB -0.173 29.510 29.700 -0.028 0.000 0.752 331 E HN 0.671 nan 8.360 nan 0.000 0.466 332 A N 0.970 123.789 122.820 -0.003 0.000 1.897 332 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 332 A C 2.112 179.680 177.584 -0.026 0.000 1.181 332 A CA 0.795 52.831 52.037 -0.002 0.000 0.620 332 A CB -0.473 18.541 19.000 0.022 0.000 0.821 332 A HN 0.198 nan 8.150 nan 0.000 0.443 333 L N 0.627 121.822 121.223 -0.046 0.000 2.017 333 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 333 L C 2.857 179.654 176.870 -0.121 0.000 1.073 333 L CA 2.987 57.757 54.840 -0.117 0.000 0.745 333 L CB -1.016 40.893 42.059 -0.250 0.000 0.894 333 L HN 0.602 nan 8.230 nan 0.000 0.432 334 T N -3.710 110.779 114.554 -0.108 0.000 2.788 334 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 334 T C 1.936 176.602 174.700 -0.057 0.000 1.044 334 T CA 1.679 63.727 62.100 -0.086 0.000 1.139 334 T CB -0.511 68.317 68.868 -0.068 0.000 0.867 334 T HN 0.318 nan 8.240 nan 0.000 0.454 335 M N 1.210 120.784 119.600 -0.044 0.000 2.117 335 M HA 0.044 4.524 4.480 -0.000 0.000 0.262 335 M C 2.323 178.606 176.300 -0.029 0.000 1.065 335 M CA 1.632 56.915 55.300 -0.028 0.000 1.114 335 M CB -0.659 31.930 32.600 -0.019 0.000 1.361 335 M HN 0.405 nan 8.290 nan 0.000 0.408 336 L N -2.309 118.891 121.223 -0.039 0.000 2.291 336 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 336 L C 2.156 178.995 176.870 -0.051 0.000 1.120 336 L CA 1.287 56.103 54.840 -0.040 0.000 0.799 336 L CB -1.455 40.577 42.059 -0.045 0.000 0.925 336 L HN 0.174 nan 8.230 nan 0.000 0.446 337 C N -0.635 118.626 119.300 -0.064 0.000 2.435 337 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 337 C C 2.924 177.889 174.990 -0.042 0.000 1.321 337 C CA 0.721 59.698 59.018 -0.069 0.000 1.752 337 C CB -1.275 26.413 27.740 -0.087 0.000 1.959 337 C HN 0.806 nan 8.230 nan 0.000 0.500 338 C N -0.459 118.823 119.300 -0.029 0.000 2.435 338 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 338 C C 2.727 177.717 174.990 -0.001 0.000 1.321 338 C CA 1.041 60.051 59.018 -0.012 0.000 1.752 338 C CB -1.332 26.404 27.740 -0.007 0.000 1.959 338 C HN 0.634 nan 8.230 nan 0.000 0.500 339 Q N 1.142 120.940 119.800 -0.003 0.000 2.084 339 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 339 Q C 2.098 178.112 176.000 0.023 0.000 0.978 339 Q CA 1.828 57.636 55.803 0.009 0.000 0.844 339 Q CB -0.385 28.354 28.738 0.002 0.000 0.898 339 Q HN 0.482 nan 8.270 nan 0.000 0.426 340 V N 0.221 120.140 119.914 0.008 0.000 2.490 340 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 340 V C 2.200 178.352 176.094 0.096 0.000 1.061 340 V CA 1.743 64.065 62.300 0.037 0.000 1.064 340 V CB -0.512 31.274 31.823 -0.061 0.000 0.670 340 V HN 0.378 nan 8.190 nan 0.000 0.461 341 M N 0.899 120.524 119.600 0.041 0.000 2.099 341 M HA -0.022 4.458 4.480 -0.000 0.000 0.262 341 M C 2.095 178.427 176.300 0.054 0.000 1.067 341 M CA 2.056 57.382 55.300 0.044 0.000 1.124 341 M CB -1.122 31.487 32.600 0.015 0.000 1.353 341 M HN 0.332 nan 8.290 nan 0.000 0.410 342 G N -0.773 108.053 108.800 0.043 0.000 2.408 342 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 342 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 342 G C 1.414 176.338 174.900 0.040 0.000 1.150 342 G CA 0.822 45.945 45.100 0.038 0.000 0.776 342 G HN 0.412 nan 8.290 nan 0.000 0.542 343 N N 0.820 119.551 118.700 0.051 0.000 2.149 343 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 343 N C 1.748 177.195 175.510 -0.106 0.000 1.019 343 N CA 1.364 54.418 53.050 0.007 0.000 0.857 343 N CB -0.392 38.120 38.487 0.043 0.000 0.997 343 N HN 0.411 nan 8.380 nan 0.000 0.426 344 D N -0.146 120.253 120.400 -0.002 0.000 2.144 344 D HA -0.068 4.572 4.640 -0.000 0.000 0.199 344 D C 1.757 178.038 176.300 -0.031 0.000 0.984 344 D CA 0.605 54.589 54.000 -0.027 0.000 0.834 344 D CB 0.187 41.103 40.800 0.194 0.000 0.955 344 D HN -0.043 nan 8.370 nan 0.000 0.465 345 V N 0.511 120.425 119.914 -0.000 0.000 2.358 345 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 345 V C 2.484 178.573 176.094 -0.008 0.000 1.047 345 V CA 1.656 63.956 62.300 -0.001 0.000 1.035 345 V CB -0.783 31.046 31.823 0.010 0.000 0.658 345 V HN 0.327 nan 8.190 nan 0.000 0.452 346 A N -0.092 122.729 122.820 0.001 0.000 1.902 346 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 346 A C 2.188 179.778 177.584 0.010 0.000 1.181 346 A CA 1.847 53.902 52.037 0.031 0.000 0.623 346 A CB -0.516 18.532 19.000 0.079 0.000 0.818 346 A HN 0.499 nan 8.150 nan 0.000 0.443 347 I N -0.030 120.513 120.570 -0.045 0.000 2.252 347 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 347 I C 2.081 178.172 176.117 -0.044 0.000 1.102 347 I CA 1.112 62.379 61.300 -0.055 0.000 1.385 347 I CB -0.464 37.435 38.000 -0.168 0.000 1.064 347 I HN 0.306 nan 8.210 nan 0.000 0.414 348 N N 0.860 119.533 118.700 -0.045 0.000 2.084 348 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 348 N C 1.891 177.356 175.510 -0.074 0.000 1.030 348 N CA 1.466 54.492 53.050 -0.039 0.000 0.849 348 N CB -0.314 38.161 38.487 -0.021 0.000 1.012 348 N HN 0.308 nan 8.380 nan 0.000 0.423 349 M N -0.026 119.525 119.600 -0.082 0.000 2.108 349 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 349 M C 2.167 178.293 176.300 -0.289 0.000 1.066 349 M CA 1.715 56.930 55.300 -0.141 0.000 1.107 349 M CB -0.607 31.936 32.600 -0.093 0.000 1.356 349 M HN 0.213 nan 8.290 nan 0.000 0.406 350 G N -0.514 108.141 108.800 -0.242 0.000 2.408 350 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 350 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 350 G C 1.481 176.216 174.900 -0.275 0.000 1.150 350 G CA 0.861 45.736 45.100 -0.374 0.000 0.776 350 G HN 0.568 nan 8.290 nan 0.000 0.542 351 G N 0.878 109.601 108.800 -0.129 0.000 2.422 351 G HA2 0.114 4.074 3.960 -0.000 0.000 0.218 351 G HA3 0.114 4.074 3.960 -0.000 0.000 0.218 351 G C 1.833 176.677 174.900 -0.093 0.000 1.140 351 G CA 1.267 46.325 45.100 -0.069 0.000 0.775 351 G HN 0.617 nan 8.290 nan 0.000 0.545 352 A N 0.182 122.920 122.820 -0.137 0.000 2.208 352 A HA 0.351 4.671 4.320 -0.000 0.000 0.209 352 A C 2.047 179.530 177.584 -0.167 0.000 1.161 352 A CA 1.187 53.151 52.037 -0.122 0.000 0.782 352 A CB 0.065 19.002 19.000 -0.105 0.000 0.816 352 A HN 0.197 nan 8.150 nan 0.000 0.477 353 S N 0.404 115.928 115.700 -0.293 0.000 2.614 353 S HA 0.302 4.772 4.470 -0.000 0.000 0.230 353 S C 0.988 175.538 174.600 -0.084 0.000 0.952 353 S CA 0.051 58.059 58.200 -0.320 0.000 0.949 353 S CB 0.036 62.730 63.200 -0.844 0.000 0.786 353 S HN 0.664 nan 8.310 nan 0.000 0.478 354 G N 1.665 110.448 108.800 -0.028 0.000 2.544 354 G HA2 0.341 4.301 3.960 -0.000 0.000 0.242 354 G HA3 0.341 4.301 3.960 -0.000 0.000 0.242 354 G C -0.467 174.429 174.900 -0.007 0.000 1.247 354 G CA -0.430 44.704 45.100 0.057 0.000 0.840 354 G HN 0.417 nan 8.290 nan 0.000 0.578 355 N N 0.657 119.363 118.700 0.010 0.000 2.504 355 N HA 0.504 5.244 4.740 -0.000 0.000 0.280 355 N C -0.297 175.190 175.510 -0.039 0.000 1.052 355 N CA -0.590 52.361 53.050 -0.166 0.000 0.887 355 N CB 1.454 39.896 38.487 -0.074 0.000 1.323 355 N HN 0.459 nan 8.380 nan 0.000 0.509 356 F N 0.327 120.316 119.950 0.065 0.000 2.185 356 F HA -0.367 4.160 4.527 -0.000 0.000 0.318 356 F C 1.690 177.539 175.800 0.082 0.000 1.440 356 F CA 1.091 59.128 58.000 0.063 0.000 0.920 356 F CB -0.859 38.173 39.000 0.054 0.000 4.125 356 F HN 0.402 nan 8.300 nan 0.000 0.137 357 E N 0.395 120.796 120.200 0.336 0.000 2.435 357 E HA 0.301 4.651 4.350 -0.000 0.000 0.195 357 E C -0.172 176.531 176.600 0.171 0.000 1.029 357 E CA 0.645 57.184 56.400 0.232 0.000 0.865 357 E CB 0.088 29.907 29.700 0.198 0.000 0.833 357 E HN 0.304 nan 8.360 nan 0.000 0.510 358 L N 0.447 121.767 121.223 0.162 0.000 2.482 358 L HA 0.384 4.724 4.340 -0.000 0.000 0.263 358 L C -1.526 175.417 176.870 0.122 0.000 0.957 358 L CA -0.611 54.300 54.840 0.118 0.000 0.836 358 L CB 1.922 44.036 42.059 0.091 0.000 1.324 358 L HN -0.199 nan 8.230 nan 0.000 0.406 359 N N 3.483 122.252 118.700 0.116 0.000 2.414 359 N HA 0.250 4.990 4.740 -0.000 0.000 0.256 359 N C -0.329 175.271 175.510 0.150 0.000 1.029 359 N CA -0.148 52.998 53.050 0.160 0.000 0.948 359 N CB 1.536 40.111 38.487 0.147 0.000 1.102 359 N HN 0.530 nan 8.380 nan 0.000 0.496 360 V N 2.056 122.063 119.914 0.155 0.000 2.908 360 V HA 0.456 4.576 4.120 -0.000 0.000 0.369 360 V C -0.351 175.619 176.094 -0.207 0.000 1.259 360 V CA -0.305 61.976 62.300 -0.031 0.000 1.406 360 V CB -1.439 30.317 31.823 -0.112 0.000 1.475 360 V HN 0.428 nan 8.190 nan 0.000 0.587 361 F N -0.261 119.699 119.950 0.016 0.000 2.817 361 F HA 0.481 5.008 4.527 -0.000 0.000 0.319 361 F C 1.908 177.734 175.800 0.044 0.000 1.136 361 F CA -0.581 57.439 58.000 0.035 0.000 1.177 361 F CB 0.483 39.512 39.000 0.047 0.000 1.088 361 F HN 0.094 nan 8.300 nan 0.000 0.520 362 R N 0.716 121.309 120.500 0.154 0.000 2.083 362 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 362 R C -0.693 175.745 176.300 0.229 0.000 1.137 362 R CA 1.820 58.038 56.100 0.195 0.000 0.951 362 R CB -1.664 28.783 30.300 0.246 0.000 0.851 362 R HN 0.190 nan 8.270 nan 0.000 0.434 363 P HA -0.212 nan 4.420 nan 0.000 0.215 363 P C 1.407 178.715 177.300 0.012 0.000 1.157 363 P CA 1.167 64.297 63.100 0.050 0.000 0.868 363 P CB -0.101 31.466 31.700 -0.221 0.000 0.788 364 M N -0.308 119.291 119.600 -0.001 0.000 2.108 364 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 364 M C 1.739 178.156 176.300 0.196 0.000 1.066 364 M CA 2.004 57.360 55.300 0.093 0.000 1.107 364 M CB -1.060 31.715 32.600 0.292 0.000 1.356 364 M HN -0.204 nan 8.290 nan 0.000 0.406 365 V N 0.690 120.714 119.914 0.183 0.000 2.295 365 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 365 V C 2.472 178.658 176.094 0.153 0.000 1.049 365 V CA 1.748 64.139 62.300 0.151 0.000 1.024 365 V CB -0.850 31.051 31.823 0.130 0.000 0.648 365 V HN 0.485 nan 8.190 nan 0.000 0.447 366 I N -0.301 120.359 120.570 0.150 0.000 2.493 366 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 366 I C 2.323 178.529 176.117 0.148 0.000 1.160 366 I CA 1.762 63.140 61.300 0.130 0.000 1.445 366 I CB -0.549 37.483 38.000 0.053 0.000 1.086 366 I HN 0.530 nan 8.210 nan 0.000 0.433 367 H N 0.473 119.573 119.070 0.049 0.000 2.293 367 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 367 H C 1.970 177.338 175.328 0.066 0.000 1.082 367 H CA 2.570 58.626 56.048 0.013 0.000 1.308 367 H CB -0.384 29.326 29.762 -0.088 0.000 1.375 367 H HN 0.381 nan 8.280 nan 0.000 0.495 368 N N -0.807 117.844 118.700 -0.082 0.000 2.188 368 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 368 N C 1.539 177.036 175.510 -0.022 0.000 1.018 368 N CA 1.166 54.150 53.050 -0.110 0.000 0.858 368 N CB -0.324 38.163 38.487 -0.000 0.000 0.989 368 N HN 0.289 nan 8.380 nan 0.000 0.426 369 F N 1.221 121.144 119.950 -0.045 0.000 2.102 369 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 369 F C 1.721 177.538 175.800 0.029 0.000 1.105 369 F CA 1.219 59.256 58.000 0.062 0.000 1.239 369 F CB -0.170 38.862 39.000 0.052 0.000 0.991 369 F HN -0.032 nan 8.300 nan 0.000 0.474 370 L N -0.130 121.197 121.223 0.173 0.000 2.141 370 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 370 L C 2.518 179.345 176.870 -0.071 0.000 1.094 370 L CA 1.400 56.276 54.840 0.059 0.000 0.763 370 L CB -0.774 41.327 42.059 0.070 0.000 0.908 370 L HN 0.310 nan 8.230 nan 0.000 0.437 371 Q N -0.204 119.522 119.800 -0.124 0.000 2.079 371 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 371 Q C 2.277 178.206 176.000 -0.118 0.000 0.974 371 Q CA 1.806 57.527 55.803 -0.138 0.000 0.840 371 Q CB 0.139 28.750 28.738 -0.212 0.000 0.898 371 Q HN 0.422 nan 8.270 nan 0.000 0.430 372 S N -0.148 115.473 115.700 -0.132 0.000 2.368 372 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 372 S C 1.960 176.425 174.600 -0.226 0.000 1.030 372 S CA 1.243 59.347 58.200 -0.160 0.000 0.999 372 S CB -0.173 62.945 63.200 -0.137 0.000 0.844 372 S HN 0.242 nan 8.310 nan 0.000 0.459 373 V N 2.062 121.810 119.914 -0.277 0.000 2.343 373 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 373 V C 2.477 178.496 176.094 -0.125 0.000 1.051 373 V CA 1.599 63.767 62.300 -0.221 0.000 1.036 373 V CB -0.613 31.095 31.823 -0.190 0.000 0.654 373 V HN 0.382 nan 8.190 nan 0.000 0.451 374 R N -0.336 120.106 120.500 -0.096 0.000 2.073 374 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 374 R C 2.338 178.603 176.300 -0.060 0.000 1.134 374 R CA 1.497 57.560 56.100 -0.062 0.000 0.952 374 R CB -0.513 29.758 30.300 -0.049 0.000 0.850 374 R HN 0.412 nan 8.270 nan 0.000 0.433 375 L N 0.662 121.842 121.223 -0.071 0.000 2.012 375 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 375 L C 2.479 179.306 176.870 -0.071 0.000 1.073 375 L CA 1.372 56.175 54.840 -0.062 0.000 0.748 375 L CB -0.484 41.536 42.059 -0.065 0.000 0.891 375 L HN 0.207 nan 8.230 nan 0.000 0.431 376 L N -0.687 120.477 121.223 -0.098 0.000 2.027 376 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 376 L C 2.883 179.709 176.870 -0.073 0.000 1.074 376 L CA 1.121 55.901 54.840 -0.100 0.000 0.745 376 L CB -0.740 41.238 42.059 -0.134 0.000 0.898 376 L HN 0.227 nan 8.230 nan 0.000 0.433 377 A N 0.121 122.900 122.820 -0.068 0.000 1.845 377 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 377 A C 1.953 179.521 177.584 -0.027 0.000 1.195 377 A CA 2.086 54.096 52.037 -0.046 0.000 0.616 377 A CB -0.630 18.344 19.000 -0.044 0.000 0.832 377 A HN 0.352 nan 8.150 nan 0.000 0.443 378 D N -0.408 119.978 120.400 -0.024 0.000 2.144 378 D HA -0.059 4.581 4.640 -0.000 0.000 0.199 378 D C 2.060 178.364 176.300 0.008 0.000 0.984 378 D CA 1.384 55.380 54.000 -0.006 0.000 0.834 378 D CB -0.754 40.044 40.800 -0.003 0.000 0.955 378 D HN 0.443 nan 8.370 nan 0.000 0.465 379 G N 0.585 109.382 108.800 -0.005 0.000 2.418 379 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 379 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 379 G C 1.653 176.575 174.900 0.037 0.000 1.158 379 G CA 0.529 45.632 45.100 0.005 0.000 0.771 379 G HN 0.201 nan 8.290 nan 0.000 0.545 380 M N -0.009 119.599 119.600 0.013 0.000 2.175 380 M HA 0.018 4.497 4.480 -0.000 0.000 0.264 380 M C 2.430 178.777 176.300 0.079 0.000 1.063 380 M CA 1.368 56.700 55.300 0.054 0.000 1.119 380 M CB -0.248 32.360 32.600 0.012 0.000 1.377 380 M HN 0.385 nan 8.290 nan 0.000 0.415 381 E N -0.149 120.068 120.200 0.029 0.000 2.077 381 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 381 E C 2.061 178.645 176.600 -0.027 0.000 0.989 381 E CA 1.576 57.974 56.400 -0.004 0.000 0.800 381 E CB 0.064 29.754 29.700 -0.016 0.000 0.746 381 E HN 0.310 nan 8.360 nan 0.000 0.452 382 S N -0.546 115.166 115.700 0.021 0.000 2.355 382 S HA -0.168 4.302 4.470 -0.000 0.000 0.222 382 S C 1.696 176.338 174.600 0.071 0.000 1.031 382 S CA 1.166 59.392 58.200 0.043 0.000 0.993 382 S CB -0.515 62.766 63.200 0.134 0.000 0.859 382 S HN 0.467 nan 8.310 nan 0.000 0.453 383 F N 3.160 123.098 119.950 -0.020 0.000 2.126 383 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 383 F C 2.194 177.975 175.800 -0.030 0.000 1.096 383 F CA 1.991 59.981 58.000 -0.015 0.000 1.255 383 F CB -0.704 38.274 39.000 -0.037 0.000 0.997 383 F HN 0.348 nan 8.300 nan 0.000 0.479 384 N N 1.030 119.725 118.700 -0.008 0.000 2.039 384 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 384 N C 1.947 177.348 175.510 -0.183 0.000 1.044 384 N CA 2.033 55.019 53.050 -0.107 0.000 0.847 384 N CB -0.268 38.208 38.487 -0.017 0.000 1.030 384 N HN 0.499 nan 8.380 nan 0.000 0.422 385 K N -0.923 119.344 120.400 -0.221 0.000 2.217 385 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 385 K C 0.803 177.217 176.600 -0.311 0.000 1.051 385 K CA 1.227 57.334 56.287 -0.300 0.000 0.952 385 K CB -0.184 32.075 32.500 -0.402 0.000 0.736 385 K HN 0.311 nan 8.250 nan 0.000 0.453 386 H N -0.977 118.040 119.070 -0.087 0.000 2.549 386 H HA 0.233 4.789 4.556 -0.000 0.000 0.279 386 H C 0.675 175.915 175.328 -0.146 0.000 1.018 386 H CA -0.208 55.788 56.048 -0.087 0.000 1.175 386 H CB 0.517 30.251 29.762 -0.046 0.000 1.485 386 H HN 0.421 nan 8.280 nan 0.000 0.543 387 C N -1.280 117.913 119.300 -0.178 0.000 3.343 387 C HA 0.443 4.903 4.460 -0.000 0.000 0.357 387 C C 2.726 177.510 174.990 -0.343 0.000 1.965 387 C CA 0.997 59.834 59.018 -0.301 0.000 1.798 387 C CB -0.665 26.754 27.740 -0.534 0.000 2.074 387 C HN 0.371 nan 8.230 nan 0.000 0.575 388 A N 1.575 124.055 122.820 -0.566 0.000 1.903 388 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 388 A C 2.071 179.592 177.584 -0.105 0.000 1.191 388 A CA 3.520 55.363 52.037 -0.323 0.000 0.638 388 A CB -1.350 17.480 19.000 -0.283 0.000 0.823 388 A HN 1.489 nan 8.150 nan 0.000 0.451 389 V N -2.651 117.203 119.914 -0.099 0.000 2.720 389 V HA 0.086 4.206 4.120 -0.000 0.000 0.256 389 V C 1.858 177.947 176.094 -0.007 0.000 1.082 389 V CA 1.904 64.180 62.300 -0.041 0.000 1.101 389 V CB -1.161 30.633 31.823 -0.048 0.000 0.693 389 V HN 0.522 nan 8.190 nan 0.000 0.479 390 G N -0.363 108.430 108.800 -0.013 0.000 3.393 390 G HA2 0.366 4.326 3.960 -0.000 0.000 0.255 390 G HA3 0.366 4.326 3.960 -0.000 0.000 0.255 390 G C 0.417 175.351 174.900 0.057 0.000 1.097 390 G CA -0.417 44.696 45.100 0.022 0.000 0.780 390 G HN 0.503 nan 8.290 nan 0.000 0.540 391 I N 1.772 122.394 120.570 0.087 0.000 2.668 391 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 391 I C -0.229 176.012 176.117 0.207 0.000 1.168 391 I CA 0.482 61.867 61.300 0.141 0.000 1.424 391 I CB 0.702 38.832 38.000 0.215 0.000 1.377 391 I HN -0.016 nan 8.210 nan 0.000 0.560 392 E N 8.550 128.799 120.200 0.081 0.000 2.293 392 E HA 0.447 4.797 4.350 -0.000 0.000 0.270 392 E C -2.475 174.018 176.600 -0.177 0.000 0.879 392 E CA -1.971 54.430 56.400 0.002 0.000 0.756 392 E CB 2.187 31.907 29.700 0.033 0.000 1.208 392 E HN 0.237 nan 8.360 nan 0.000 0.428 393 P HA 0.244 nan 4.420 nan 0.000 0.284 393 P C -0.390 176.810 177.300 -0.168 0.000 1.253 393 P CA -0.607 62.276 63.100 -0.361 0.000 0.800 393 P CB 0.726 32.072 31.700 -0.590 0.000 0.961 394 N N 3.135 121.770 118.700 -0.109 0.000 3.034 394 N HA 0.127 4.867 4.740 -0.000 0.000 0.265 394 N C 1.385 176.864 175.510 -0.052 0.000 1.166 394 N CA -0.172 52.843 53.050 -0.057 0.000 1.081 394 N CB -0.120 38.349 38.487 -0.030 0.000 1.378 394 N HN 0.306 nan 8.380 nan 0.000 0.520 395 R N 0.711 121.177 120.500 -0.057 0.000 2.153 395 R HA -0.253 4.087 4.340 -0.000 0.000 0.252 395 R C 1.166 177.455 176.300 -0.018 0.000 1.158 395 R CA 1.832 57.908 56.100 -0.040 0.000 0.975 395 R CB 0.048 30.331 30.300 -0.028 0.000 0.871 395 R HN 0.480 nan 8.270 nan 0.000 0.450 396 E N 0.267 120.460 120.200 -0.012 0.000 2.047 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 396 E C 1.881 178.481 176.600 0.000 0.000 0.987 396 E CA 1.020 57.418 56.400 -0.003 0.000 0.799 396 E CB -0.274 29.425 29.700 -0.001 0.000 0.752 396 E HN 0.095 nan 8.360 nan 0.000 0.449 397 R N 1.200 121.699 120.500 -0.002 0.000 2.081 397 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 397 R C 2.104 178.408 176.300 0.006 0.000 1.131 397 R CA 1.387 57.490 56.100 0.005 0.000 0.960 397 R CB -0.726 29.577 30.300 0.005 0.000 0.856 397 R HN 0.322 nan 8.270 nan 0.000 0.436 398 I N 0.825 121.393 120.570 -0.004 0.000 2.127 398 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 398 I C 1.728 177.849 176.117 0.008 0.000 1.075 398 I CA 1.637 62.936 61.300 -0.003 0.000 1.334 398 I CB -0.466 37.521 38.000 -0.022 0.000 1.040 398 I HN 0.285 nan 8.210 nan 0.000 0.405 399 N N 0.378 119.082 118.700 0.007 0.000 2.223 399 N HA -0.233 4.507 4.740 -0.000 0.000 0.185 399 N C 1.797 177.321 175.510 0.023 0.000 1.016 399 N CA 1.085 54.145 53.050 0.017 0.000 0.863 399 N CB -0.299 38.197 38.487 0.016 0.000 0.983 399 N HN 0.515 nan 8.380 nan 0.000 0.429 400 Q N 0.914 120.725 119.800 0.019 0.000 2.050 400 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 400 Q C 2.154 178.170 176.000 0.027 0.000 0.980 400 Q CA 0.871 56.687 55.803 0.022 0.000 0.840 400 Q CB -0.015 28.733 28.738 0.017 0.000 0.898 400 Q HN 0.326 nan 8.270 nan 0.000 0.424 401 L N 0.488 121.727 121.223 0.027 0.000 2.012 401 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 401 L C 2.596 179.488 176.870 0.037 0.000 1.073 401 L CA 1.023 55.882 54.840 0.031 0.000 0.748 401 L CB -0.545 41.532 42.059 0.030 0.000 0.891 401 L HN 0.336 nan 8.230 nan 0.000 0.431 402 L N -0.096 121.149 121.223 0.036 0.000 1.990 402 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 402 L C 2.298 179.204 176.870 0.061 0.000 1.072 402 L CA 1.401 56.267 54.840 0.044 0.000 0.755 402 L CB -0.611 41.472 42.059 0.039 0.000 0.889 402 L HN 0.404 nan 8.230 nan 0.000 0.432 403 N N -0.191 118.546 118.700 0.063 0.000 2.453 403 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 403 N C 1.418 176.971 175.510 0.071 0.000 1.041 403 N CA 0.915 54.015 53.050 0.082 0.000 0.900 403 N CB -0.079 38.450 38.487 0.069 0.000 0.961 403 N HN 0.481 nan 8.380 nan 0.000 0.443 404 E N 0.001 120.233 120.200 0.054 0.000 2.447 404 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 404 E C 0.233 176.866 176.600 0.055 0.000 1.028 404 E CA -0.141 56.286 56.400 0.046 0.000 0.876 404 E CB 0.337 30.058 29.700 0.035 0.000 0.885 404 E HN 0.251 nan 8.360 nan 0.000 0.500 405 S N -0.126 115.611 115.700 0.061 0.000 2.617 405 S HA 0.218 4.688 4.470 -0.000 0.000 0.269 405 S C 0.859 175.503 174.600 0.073 0.000 1.292 405 S CA -0.605 57.632 58.200 0.060 0.000 1.010 405 S CB 1.052 64.282 63.200 0.050 0.000 0.944 405 S HN 0.128 nan 8.310 nan 0.000 0.536 406 L N 0.645 121.905 121.223 0.063 0.000 2.567 406 L HA 0.146 4.486 4.340 -0.000 0.000 0.225 406 L C 1.734 178.632 176.870 0.047 0.000 1.119 406 L CA -0.014 54.863 54.840 0.062 0.000 0.871 406 L CB -0.382 41.705 42.059 0.047 0.000 1.036 406 L HN 0.593 nan 8.230 nan 0.000 0.459 407 M N -0.007 119.617 119.600 0.040 0.000 2.630 407 M HA -0.026 4.454 4.480 -0.000 0.000 0.254 407 M C 1.821 178.141 176.300 0.033 0.000 1.092 407 M CA 1.278 56.596 55.300 0.030 0.000 1.087 407 M CB -0.647 31.969 32.600 0.026 0.000 1.453 407 M HN 0.302 nan 8.290 nan 0.000 0.509 408 L N -1.553 119.699 121.223 0.047 0.000 2.567 408 L HA 0.043 4.383 4.340 -0.000 0.000 0.225 408 L C 2.200 179.088 176.870 0.030 0.000 1.119 408 L CA -0.247 54.615 54.840 0.037 0.000 0.871 408 L CB -0.384 41.703 42.059 0.046 0.000 1.036 408 L HN 0.017 nan 8.230 nan 0.000 0.459 409 V N 0.363 120.306 119.914 0.048 0.000 2.568 409 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 409 V C 2.352 178.455 176.094 0.015 0.000 1.072 409 V CA 2.528 64.856 62.300 0.047 0.000 1.084 409 V CB -0.300 31.547 31.823 0.041 0.000 0.676 409 V HN 0.545 nan 8.190 nan 0.000 0.469 410 T N 0.652 115.211 114.554 0.008 0.000 2.778 410 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 410 T C 1.908 176.603 174.700 -0.008 0.000 1.050 410 T CA 1.613 63.715 62.100 0.004 0.000 1.137 410 T CB -0.535 68.340 68.868 0.011 0.000 0.860 410 T HN 0.710 nan 8.240 nan 0.000 0.468 411 A N 0.749 123.566 122.820 -0.005 0.000 2.121 411 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 411 A C 2.161 179.766 177.584 0.035 0.000 1.154 411 A CA 0.805 52.843 52.037 0.001 0.000 0.679 411 A CB -0.643 18.359 19.000 0.004 0.000 0.795 411 A HN 0.527 nan 8.150 nan 0.000 0.458 412 L N -0.995 120.249 121.223 0.035 0.000 2.270 412 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 412 L C 2.025 178.870 176.870 -0.041 0.000 1.104 412 L CA 0.369 55.252 54.840 0.072 0.000 0.804 412 L CB -0.605 41.526 42.059 0.120 0.000 0.937 412 L HN 0.247 nan 8.230 nan 0.000 0.450 413 N N 0.560 119.223 118.700 -0.061 0.000 2.049 413 N HA -0.230 4.510 4.740 -0.000 0.000 0.198 413 N C 1.902 177.309 175.510 -0.173 0.000 1.030 413 N CA 2.379 55.385 53.050 -0.074 0.000 0.870 413 N CB -0.881 37.599 38.487 -0.013 0.000 1.045 413 N HN 0.410 nan 8.380 nan 0.000 0.434 414 T N -2.889 111.476 114.554 -0.314 0.000 2.977 414 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 414 T C 1.291 175.616 174.700 -0.624 0.000 1.105 414 T CA 1.290 63.113 62.100 -0.461 0.000 1.116 414 T CB -0.355 68.174 68.868 -0.565 0.000 0.878 414 T HN 0.428 nan 8.240 nan 0.000 0.509 415 H N 0.945 119.748 119.070 -0.445 0.000 2.460 415 H HA 0.420 4.976 4.556 -0.000 0.000 0.297 415 H C 1.992 177.080 175.328 -0.399 0.000 1.023 415 H CA 0.901 56.551 56.048 -0.664 0.000 1.321 415 H CB 0.215 29.003 29.762 -1.622 0.000 1.455 415 H HN 0.501 nan 8.280 nan 0.000 0.539 416 I N -2.682 117.796 120.570 -0.154 0.000 4.154 416 I HA 0.527 4.697 4.170 -0.000 0.000 0.334 416 I C 0.390 176.459 176.117 -0.079 0.000 1.371 416 I CA 0.043 61.300 61.300 -0.071 0.000 1.110 416 I CB 0.814 38.821 38.000 0.012 0.000 1.085 416 I HN 0.238 nan 8.210 nan 0.000 0.398 417 G N 1.573 110.328 108.800 -0.075 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 -0.276 174.634 174.900 0.017 0.000 1.321 417 G CA 0.089 45.173 45.100 -0.027 0.000 0.813 417 G HN 0.351 nan 8.290 nan 0.000 0.599 418 Y N 0.485 120.753 120.300 -0.053 0.000 2.181 418 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 418 Y C 2.517 178.410 175.900 -0.012 0.000 1.146 418 Y CA 2.616 60.698 58.100 -0.030 0.000 1.164 418 Y CB 0.048 38.489 38.460 -0.031 0.000 0.982 418 Y HN 0.614 nan 8.280 nan 0.000 0.515 419 D N 0.254 120.737 120.400 0.138 0.000 2.097 419 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 419 D C 1.940 178.221 176.300 -0.031 0.000 0.989 419 D CA 1.644 55.681 54.000 0.062 0.000 0.827 419 D CB -0.157 40.696 40.800 0.088 0.000 0.966 419 D HN 0.433 nan 8.370 nan 0.000 0.456 420 K N 0.706 121.071 120.400 -0.059 0.000 2.097 420 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 420 K C 2.213 178.840 176.600 0.044 0.000 1.050 420 K CA 0.859 57.111 56.287 -0.058 0.000 0.938 420 K CB -0.013 32.300 32.500 -0.310 0.000 0.718 420 K HN -0.002 nan 8.250 nan 0.000 0.442 421 A N 1.619 124.415 122.820 -0.039 0.000 1.877 421 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 421 A C 2.382 179.907 177.584 -0.098 0.000 1.186 421 A CA 1.940 53.953 52.037 -0.039 0.000 0.620 421 A CB -0.747 18.191 19.000 -0.104 0.000 0.822 421 A HN 0.329 nan 8.150 nan 0.000 0.443 422 A N -0.532 122.129 122.820 -0.264 0.000 1.972 422 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 422 A C 2.014 179.559 177.584 -0.065 0.000 1.169 422 A CA 1.817 53.705 52.037 -0.249 0.000 0.635 422 A CB -0.507 18.246 19.000 -0.412 0.000 0.810 422 A HN 0.702 nan 8.150 nan 0.000 0.446 423 E N -0.103 120.099 120.200 0.004 0.000 2.072 423 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 423 E C 1.848 178.497 176.600 0.082 0.000 0.985 423 E CA 1.224 57.669 56.400 0.075 0.000 0.801 423 E CB -0.219 29.581 29.700 0.166 0.000 0.750 423 E HN 0.671 nan 8.360 nan 0.000 0.452 424 I N 1.000 121.637 120.570 0.111 0.000 2.179 424 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 424 I C 2.615 178.773 176.117 0.069 0.000 1.088 424 I CA 1.055 62.413 61.300 0.097 0.000 1.357 424 I CB -0.387 37.707 38.000 0.157 0.000 1.051 424 I HN 0.192 nan 8.210 nan 0.000 0.409 425 A N 0.757 123.609 122.820 0.053 0.000 1.908 425 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 425 A C 2.337 179.962 177.584 0.069 0.000 1.181 425 A CA 1.781 53.846 52.037 0.047 0.000 0.627 425 A CB -0.488 18.511 19.000 -0.001 0.000 0.818 425 A HN 0.319 nan 8.150 nan 0.000 0.445 426 K N -0.515 119.918 120.400 0.056 0.000 2.026 426 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 426 K C 2.294 178.948 176.600 0.089 0.000 1.048 426 K CA 1.479 57.816 56.287 0.085 0.000 0.929 426 K CB -0.153 32.382 32.500 0.058 0.000 0.713 426 K HN 0.416 nan 8.250 nan 0.000 0.439 427 K N 0.825 121.257 120.400 0.053 0.000 1.991 427 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 427 K C 2.155 178.768 176.600 0.022 0.000 1.049 427 K CA 1.481 57.781 56.287 0.023 0.000 0.932 427 K CB -0.197 32.302 32.500 -0.002 0.000 0.717 427 K HN 0.118 nan 8.250 nan 0.000 0.441 428 A N 0.662 123.505 122.820 0.038 0.000 1.917 428 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 428 A C 2.009 179.626 177.584 0.055 0.000 1.182 428 A CA 2.218 54.277 52.037 0.036 0.000 0.633 428 A CB -0.959 18.073 19.000 0.053 0.000 0.819 428 A HN 0.626 nan 8.150 nan 0.000 0.448 429 H N -0.524 118.548 119.070 0.002 0.000 2.357 429 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 429 H C 1.842 177.170 175.328 -0.000 0.000 1.082 429 H CA 2.111 58.161 56.048 0.003 0.000 1.342 429 H CB -0.035 29.731 29.762 0.005 0.000 1.389 429 H HN 0.301 nan 8.280 nan 0.000 0.511 430 K N 0.432 120.762 120.400 -0.117 0.000 2.155 430 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 430 K C 1.756 178.279 176.600 -0.129 0.000 1.052 430 K CA 1.480 57.672 56.287 -0.158 0.000 0.948 430 K CB 0.186 32.661 32.500 -0.041 0.000 0.728 430 K HN 0.505 nan 8.250 nan 0.000 0.448 431 E N -0.929 119.221 120.200 -0.082 0.000 2.474 431 E HA 0.156 4.506 4.350 -0.000 0.000 0.195 431 E C 0.033 176.595 176.600 -0.063 0.000 1.039 431 E CA 0.202 56.563 56.400 -0.065 0.000 0.881 431 E CB 0.572 30.244 29.700 -0.045 0.000 0.970 431 E HN 0.329 nan 8.360 nan 0.000 0.486 432 G N 1.918 110.674 108.800 -0.074 0.000 2.298 432 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.287 432 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.287 432 G C -0.161 174.720 174.900 -0.031 0.000 1.075 432 G CA 0.205 45.273 45.100 -0.053 0.000 0.960 432 G HN 0.132 nan 8.290 nan 0.000 0.502 433 L N -0.311 120.898 121.223 -0.023 0.000 2.301 433 L HA 0.770 5.110 4.340 -0.000 0.000 0.264 433 L C 1.194 178.057 176.870 -0.011 0.000 1.016 433 L CA -0.773 54.052 54.840 -0.025 0.000 0.821 433 L CB 1.857 43.894 42.059 -0.037 0.000 1.346 433 L HN 0.343 nan 8.230 nan 0.000 0.429 434 T N -2.196 112.341 114.554 -0.029 0.000 2.849 434 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 434 T C 1.268 175.949 174.700 -0.030 0.000 1.004 434 T CA -0.686 61.402 62.100 -0.020 0.000 1.021 434 T CB 0.898 69.736 68.868 -0.050 0.000 1.013 434 T HN 0.463 nan 8.240 nan 0.000 0.527 435 L N 0.416 121.655 121.223 0.027 0.000 2.042 435 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 435 L C 2.990 179.793 176.870 -0.113 0.000 1.076 435 L CA 1.740 56.633 54.840 0.088 0.000 0.749 435 L CB -0.607 41.641 42.059 0.315 0.000 0.893 435 L HN 0.836 nan 8.230 nan 0.000 0.432 436 K N 0.429 120.503 120.400 -0.543 0.000 2.057 436 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 436 K C 2.166 178.503 176.600 -0.437 0.000 1.049 436 K CA 1.374 57.043 56.287 -1.030 0.000 0.931 436 K CB -0.097 31.672 32.500 -1.218 0.000 0.714 436 K HN 0.256 nan 8.250 nan 0.000 0.440 437 A N 1.202 123.860 122.820 -0.270 0.000 1.883 437 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 437 A C 2.371 179.878 177.584 -0.128 0.000 1.186 437 A CA 2.061 53.999 52.037 -0.166 0.000 0.624 437 A CB -0.935 17.995 19.000 -0.116 0.000 0.822 437 A HN 0.513 nan 8.150 nan 0.000 0.444 438 A N -0.228 122.533 122.820 -0.098 0.000 1.877 438 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 438 A C 2.535 180.070 177.584 -0.082 0.000 1.186 438 A CA 2.225 54.220 52.037 -0.069 0.000 0.620 438 A CB -1.108 17.878 19.000 -0.023 0.000 0.822 438 A HN 1.123 nan 8.150 nan 0.000 0.443 439 A N -0.761 122.030 122.820 -0.047 0.000 1.908 439 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 439 A C 2.022 179.574 177.584 -0.054 0.000 1.181 439 A CA 1.833 53.878 52.037 0.013 0.000 0.627 439 A CB -0.525 18.558 19.000 0.138 0.000 0.818 439 A HN 0.403 nan 8.150 nan 0.000 0.445 440 L N -0.648 120.517 121.223 -0.097 0.000 2.109 440 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 440 L C 2.938 179.746 176.870 -0.104 0.000 1.086 440 L CA 1.668 56.452 54.840 -0.094 0.000 0.760 440 L CB -1.004 40.985 42.059 -0.117 0.000 0.910 440 L HN 0.388 nan 8.230 nan 0.000 0.437 441 A N -1.193 121.557 122.820 -0.117 0.000 1.972 441 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 441 A C 2.120 179.612 177.584 -0.153 0.000 1.169 441 A CA 1.437 53.405 52.037 -0.115 0.000 0.635 441 A CB -0.523 18.416 19.000 -0.103 0.000 0.810 441 A HN 0.303 nan 8.150 nan 0.000 0.446 442 L N -1.515 119.563 121.223 -0.242 0.000 2.270 442 L HA 0.212 4.552 4.340 -0.000 0.000 0.210 442 L C 1.826 178.478 176.870 -0.363 0.000 1.104 442 L CA 1.379 55.959 54.840 -0.432 0.000 0.804 442 L CB -0.921 40.628 42.059 -0.850 0.000 0.937 442 L HN 0.691 nan 8.230 nan 0.000 0.450 443 G N -2.054 106.631 108.800 -0.191 0.000 2.149 443 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.235 443 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.235 443 G C 0.633 175.620 174.900 0.144 0.000 1.018 443 G CA 0.367 45.450 45.100 -0.029 0.000 0.728 443 G HN 0.232 nan 8.290 nan 0.000 0.508 444 Y N -0.564 119.772 120.300 0.060 0.000 2.516 444 Y HA 0.409 4.959 4.550 -0.000 0.000 0.291 444 Y C 1.757 177.736 175.900 0.130 0.000 1.131 444 Y CA 0.838 58.996 58.100 0.097 0.000 1.281 444 Y CB -0.074 38.454 38.460 0.113 0.000 1.013 444 Y HN 0.767 nan 8.280 nan 0.000 0.554 445 L N -4.077 117.290 121.223 0.241 0.000 2.999 445 L HA 0.634 4.974 4.340 -0.000 0.000 0.274 445 L C -0.401 176.479 176.870 0.016 0.000 1.044 445 L CA -1.326 53.587 54.840 0.122 0.000 0.943 445 L CB 1.526 43.670 42.059 0.143 0.000 1.522 445 L HN -0.236 nan 8.230 nan 0.000 0.400 446 S N -1.566 114.084 115.700 -0.083 0.000 2.687 446 S HA 0.319 4.789 4.470 -0.000 0.000 0.283 446 S C 0.640 175.183 174.600 -0.096 0.000 1.170 446 S CA 0.118 58.266 58.200 -0.088 0.000 1.008 446 S CB 1.790 64.926 63.200 -0.106 0.000 1.026 446 S HN 0.936 nan 8.310 nan 0.000 0.541 447 E N 1.002 121.156 120.200 -0.077 0.000 2.110 447 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 447 E C 2.083 178.654 176.600 -0.047 0.000 0.988 447 E CA 1.211 57.577 56.400 -0.057 0.000 0.804 447 E CB -0.553 29.104 29.700 -0.071 0.000 0.745 447 E HN 0.822 nan 8.360 nan 0.000 0.458 448 A N 1.190 123.950 122.820 -0.100 0.000 1.883 448 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 448 A C 1.944 179.380 177.584 -0.246 0.000 1.186 448 A CA 1.818 53.778 52.037 -0.129 0.000 0.624 448 A CB -0.582 18.343 19.000 -0.125 0.000 0.822 448 A HN 0.351 nan 8.150 nan 0.000 0.444 449 E N -1.502 118.452 120.200 -0.409 0.000 2.077 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 449 E C 1.775 177.873 176.600 -0.837 0.000 0.989 449 E CA 1.274 57.116 56.400 -0.930 0.000 0.800 449 E CB -0.290 28.662 29.700 -1.247 0.000 0.746 449 E HN 0.689 nan 8.360 nan 0.000 0.452 450 F N 2.449 122.120 119.950 -0.466 0.000 2.069 450 F HA -0.244 4.282 4.527 -0.000 0.000 0.298 450 F C 1.806 177.539 175.800 -0.112 0.000 1.113 450 F CA 1.768 59.662 58.000 -0.177 0.000 1.214 450 F CB -0.044 38.907 39.000 -0.082 0.000 0.978 450 F HN -0.088 nan 8.300 nan 0.000 0.474 451 D N -0.359 120.101 120.400 0.100 0.000 2.182 451 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 451 D C 2.370 178.641 176.300 -0.050 0.000 0.986 451 D CA 1.644 55.674 54.000 0.049 0.000 0.847 451 D CB -0.355 40.471 40.800 0.044 0.000 0.942 451 D HN 0.298 nan 8.370 nan 0.000 0.467 452 S N -0.330 115.287 115.700 -0.139 0.000 2.425 452 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 452 S C 1.615 176.242 174.600 0.044 0.000 1.024 452 S CA 0.153 58.301 58.200 -0.086 0.000 0.951 452 S CB 0.035 63.139 63.200 -0.161 0.000 0.796 452 S HN 0.330 nan 8.310 nan 0.000 0.498 453 W N 1.221 122.391 121.300 -0.217 0.000 2.480 453 W HA 0.318 4.978 4.660 -0.000 0.000 0.299 453 W C 1.162 177.566 176.519 -0.191 0.000 1.187 453 W CA -0.488 56.694 57.345 -0.272 0.000 1.347 453 W CB -1.088 28.095 29.460 -0.460 0.000 1.121 453 W HN 0.010 nan 8.180 nan 0.000 0.533 454 V N 4.763 124.614 119.914 -0.104 0.000 2.276 454 V HA 0.284 4.404 4.120 -0.000 0.000 0.249 454 V C -0.332 175.713 176.094 -0.082 0.000 1.160 454 V CA -0.268 61.923 62.300 -0.181 0.000 1.042 454 V CB -0.527 30.991 31.823 -0.508 0.000 1.224 454 V HN -0.155 nan 8.190 nan 0.000 0.496 455 R N 8.188 128.682 120.500 -0.011 0.000 2.278 455 R HA 0.385 4.725 4.340 -0.000 0.000 0.322 455 R C -1.742 174.563 176.300 0.009 0.000 1.058 455 R CA -2.803 53.301 56.100 0.008 0.000 0.991 455 R CB 0.971 31.287 30.300 0.027 0.000 1.140 455 R HN 0.445 nan 8.270 nan 0.000 0.518 456 P HA -0.206 nan 4.420 nan 0.000 0.220 456 P C 0.693 178.000 177.300 0.013 0.000 1.144 456 P CA 1.111 64.218 63.100 0.012 0.000 0.800 456 P CB 0.414 32.125 31.700 0.019 0.000 0.772 457 E N 1.362 121.571 120.200 0.015 0.000 2.265 457 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 457 E C 0.831 177.438 176.600 0.012 0.000 0.996 457 E CA 0.942 57.350 56.400 0.014 0.000 0.832 457 E CB -0.819 28.891 29.700 0.017 0.000 0.756 457 E HN 0.430 nan 8.360 nan 0.000 0.491 458 Q N 1.578 121.386 119.800 0.013 0.000 2.296 458 Q HA 0.215 4.555 4.340 -0.000 0.000 0.273 458 Q C 0.919 176.922 176.000 0.006 0.000 0.900 458 Q CA -0.261 55.548 55.803 0.010 0.000 0.993 458 Q CB -0.140 28.607 28.738 0.015 0.000 1.132 458 Q HN 0.295 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 32.603 32.600 0.005 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411