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 1umc_1_A DATA FIRST_RESID 6 DATA SEQUENCE HRFETFTEEP IRLIGEEGEW LGDFPLDLEG EKLRRLYRDM LAARMLDERY DATA SEQUENCE TILIRTGKTS FIAPAAGHEA AQVAIAHAIR PGFDWVFPYY RDHGLALALG DATA SEQUENCE IPLKELLGQM LATKADPNKG RQMPEHPGSK ALNFFTVASP IASHVPPAAG DATA SEQUENCE AAISMKLLRT GQVAVCTFGD GATSEGDWYA GINFAAVQGA PAVFIAENNF DATA SEQUENCE YAISVDYRHQ THSPTIADKA HAFGIPGYLV DGMDVLASYY VVKEAVERAR DATA SEQUENCE RGEGPSLVEL RVYRYGPHSS ADDDSRYRPK EEVAFWRKKD PIPRFRRFLE DATA SEQUENCE ARGLWNEEWE EDVREEIRAE LERGLKEAEE AGPVPPEWMF EDVFAEKPWH DATA SEQUENCE LLRQEALLKE EL 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.193 175.328 -0.226 0.000 0.993 6 H CA 0.000 55.918 56.048 -0.216 0.000 1.023 6 H CB 0.000 29.527 29.762 -0.392 0.000 1.292 7 R N 3.430 123.308 120.500 -1.035 0.000 2.522 7 R HA 0.252 4.592 4.340 0.001 0.000 0.283 7 R C -0.958 174.923 176.300 -0.699 0.000 1.074 7 R CA -0.722 55.024 56.100 -0.589 0.000 0.925 7 R CB 0.732 30.902 30.300 -0.217 0.000 1.205 7 R HN 0.266 nan 8.270 nan 0.000 0.436 8 F N 1.188 120.999 119.950 -0.233 0.000 2.444 8 F HA 0.164 4.691 4.527 0.001 0.000 0.331 8 F C 1.489 177.355 175.800 0.110 0.000 1.167 8 F CA 0.261 58.258 58.000 -0.005 0.000 1.262 8 F CB 0.632 39.658 39.000 0.043 0.000 1.196 8 F HN 0.250 nan 8.300 nan 0.000 0.583 9 E N 0.423 120.822 120.200 0.331 0.000 2.338 9 E HA 0.199 4.549 4.350 0.001 0.000 0.272 9 E C -0.235 176.489 176.600 0.206 0.000 1.029 9 E CA -0.371 56.158 56.400 0.215 0.000 0.872 9 E CB 0.781 30.580 29.700 0.165 0.000 1.015 9 E HN 0.583 nan 8.360 nan 0.000 0.417 10 T N -0.526 114.039 114.554 0.018 0.000 2.918 10 T HA 0.268 4.619 4.350 0.001 0.000 0.283 10 T C 0.249 174.863 174.700 -0.142 0.000 1.001 10 T CA -0.720 61.157 62.100 -0.373 0.000 1.041 10 T CB 0.257 68.736 68.868 -0.647 0.000 1.028 10 T HN 0.485 nan 8.240 nan 0.000 0.511 11 F N -0.328 119.557 119.950 -0.109 0.000 3.079 11 F HA -0.212 4.316 4.527 0.001 0.000 0.274 11 F C 1.271 177.095 175.800 0.040 0.000 0.940 11 F CA 0.655 58.642 58.000 -0.022 0.000 0.932 11 F CB -2.998 36.005 39.000 0.005 0.000 0.891 11 F HN 0.977 nan 8.300 nan 0.000 0.722 12 T N -3.067 111.579 114.554 0.154 0.000 2.932 12 T HA 0.103 4.454 4.350 0.001 0.000 0.312 12 T C 1.241 176.020 174.700 0.133 0.000 1.071 12 T CA 0.049 62.233 62.100 0.141 0.000 1.128 12 T CB 1.789 70.733 68.868 0.126 0.000 0.984 12 T HN 0.535 nan 8.240 nan 0.000 0.549 13 E N 0.568 120.835 120.200 0.112 0.000 2.072 13 E HA -0.081 4.270 4.350 0.001 0.000 0.190 13 E C 0.208 176.860 176.600 0.086 0.000 0.982 13 E CA 0.686 57.143 56.400 0.095 0.000 0.803 13 E CB 0.259 30.004 29.700 0.075 0.000 0.755 13 E HN 0.690 nan 8.360 nan 0.000 0.453 14 E N 1.517 121.766 120.200 0.082 0.000 2.197 14 E HA 0.214 4.565 4.350 0.001 0.000 0.281 14 E C -2.454 174.196 176.600 0.083 0.000 0.995 14 E CA -2.819 53.627 56.400 0.075 0.000 0.808 14 E CB 1.412 31.150 29.700 0.062 0.000 1.093 14 E HN 0.092 nan 8.360 nan 0.000 0.394 15 P HA 0.026 nan 4.420 nan 0.000 0.268 15 P C -0.129 177.210 177.300 0.066 0.000 1.205 15 P CA 0.129 63.278 63.100 0.082 0.000 0.771 15 P CB 0.524 32.283 31.700 0.099 0.000 0.858 16 I N 3.785 124.387 120.570 0.054 0.000 2.683 16 I HA 0.004 4.174 4.170 0.001 0.000 0.286 16 I C 1.369 177.496 176.117 0.018 0.000 1.175 16 I CA 0.692 62.018 61.300 0.044 0.000 1.429 16 I CB -0.057 37.937 38.000 -0.011 0.000 1.371 16 I HN 0.210 nan 8.210 nan 0.000 0.569 17 R N 6.155 126.670 120.500 0.024 0.000 2.744 17 R HA 0.567 4.908 4.340 0.001 0.000 0.279 17 R C -0.076 176.196 176.300 -0.047 0.000 0.977 17 R CA -0.817 55.283 56.100 -0.001 0.000 0.906 17 R CB 2.063 32.366 30.300 0.004 0.000 1.197 17 R HN 0.581 nan 8.270 nan 0.000 0.463 18 L N 1.295 122.473 121.223 -0.075 0.000 2.902 18 L HA 0.388 4.729 4.340 0.001 0.000 0.254 18 L C 0.127 176.919 176.870 -0.129 0.000 1.115 18 L CA 0.218 54.913 54.840 -0.242 0.000 0.947 18 L CB 0.733 42.668 42.059 -0.206 0.000 1.369 18 L HN 0.472 nan 8.230 nan 0.000 0.538 19 I N 0.907 121.478 120.570 0.001 0.000 2.312 19 I HA 0.270 4.441 4.170 0.001 0.000 0.290 19 I C 0.877 177.075 176.117 0.135 0.000 1.008 19 I CA -0.375 61.002 61.300 0.128 0.000 1.226 19 I CB 1.272 39.328 38.000 0.094 0.000 1.371 19 I HN -0.051 nan 8.210 nan 0.000 0.468 20 G N 3.618 112.525 108.800 0.179 0.000 2.667 20 G HA2 0.022 3.982 3.960 0.001 0.000 0.250 20 G HA3 0.022 3.982 3.960 0.001 0.000 0.250 20 G C 0.587 175.551 174.900 0.106 0.000 1.212 20 G CA -0.163 45.001 45.100 0.108 0.000 0.874 20 G HN 0.660 nan 8.290 nan 0.000 0.561 21 E N -0.636 119.598 120.200 0.057 0.000 2.418 21 E HA -0.009 4.342 4.350 0.001 0.000 0.197 21 E C 1.534 178.157 176.600 0.037 0.000 1.026 21 E CA 0.626 57.048 56.400 0.038 0.000 0.862 21 E CB 0.242 29.946 29.700 0.006 0.000 0.799 21 E HN 0.467 nan 8.360 nan 0.000 0.518 22 E N -1.265 118.962 120.200 0.045 0.000 2.548 22 E HA 0.221 4.571 4.350 0.001 0.000 0.206 22 E C 0.583 177.202 176.600 0.030 0.000 1.005 22 E CA 0.348 56.763 56.400 0.024 0.000 0.951 22 E CB 0.789 30.495 29.700 0.010 0.000 1.035 22 E HN 0.243 nan 8.360 nan 0.000 0.470 23 G N 2.561 111.423 108.800 0.103 0.000 2.141 23 G HA2 -0.252 3.709 3.960 0.001 0.000 0.242 23 G HA3 -0.252 3.709 3.960 0.001 0.000 0.242 23 G C 0.117 175.076 174.900 0.099 0.000 0.982 23 G CA 0.350 45.528 45.100 0.131 0.000 0.662 23 G HN 0.299 nan 8.290 nan 0.000 0.527 24 E N 0.564 120.856 120.200 0.152 0.000 2.331 24 E HA 0.195 4.546 4.350 0.001 0.000 0.272 24 E C 0.098 176.903 176.600 0.342 0.000 1.036 24 E CA -1.028 55.469 56.400 0.161 0.000 0.864 24 E CB 1.037 30.793 29.700 0.092 0.000 1.035 24 E HN 0.446 nan 8.360 nan 0.000 0.408 25 W N 5.865 127.257 121.300 0.153 0.000 2.356 25 W HA 0.146 4.806 4.660 0.001 0.000 0.311 25 W C -0.531 176.019 176.519 0.052 0.000 1.328 25 W CA -0.614 56.840 57.345 0.181 0.000 1.251 25 W CB 0.580 30.111 29.460 0.117 0.000 1.280 25 W HN 0.598 nan 8.180 nan 0.000 0.524 26 L N 5.939 126.844 121.223 -0.531 0.000 2.585 26 L HA 0.199 4.539 4.340 0.001 0.000 0.226 26 L C 1.696 178.113 176.870 -0.756 0.000 1.113 26 L CA -0.110 54.438 54.840 -0.487 0.000 0.876 26 L CB -0.575 41.327 42.059 -0.261 0.000 1.072 26 L HN 0.470 nan 8.230 nan 0.000 0.468 27 G N 0.876 108.676 108.800 -1.666 0.000 2.559 27 G HA2 0.005 3.965 3.960 0.001 0.000 0.235 27 G HA3 0.005 3.965 3.960 0.001 0.000 0.235 27 G C 0.147 174.722 174.900 -0.542 0.000 1.266 27 G CA -0.110 44.208 45.100 -1.303 0.000 0.847 27 G HN 0.397 nan 8.290 nan 0.000 0.583 28 D N -0.282 120.017 120.400 -0.167 0.000 2.738 28 D HA 0.247 4.888 4.640 0.001 0.000 0.246 28 D C -0.152 176.285 176.300 0.227 0.000 1.270 28 D CA -0.507 53.525 54.000 0.055 0.000 0.833 28 D CB -0.483 40.382 40.800 0.107 0.000 1.040 28 D HN 0.296 nan 8.370 nan 0.000 0.487 29 F N -2.589 117.398 119.950 0.062 0.000 2.703 29 F HA 0.591 5.119 4.527 0.001 0.000 0.308 29 F C -3.168 172.772 175.800 0.233 0.000 1.126 29 F CA -2.346 55.680 58.000 0.043 0.000 0.959 29 F CB 0.602 39.467 39.000 -0.226 0.000 1.297 29 F HN -0.354 nan 8.300 nan 0.000 0.441 30 P HA 0.180 nan 4.420 nan 0.000 0.276 30 P C -0.659 176.489 177.300 -0.253 0.000 1.230 30 P CA -0.131 62.928 63.100 -0.069 0.000 0.776 30 P CB 1.755 33.447 31.700 -0.014 0.000 0.888 31 L N 3.914 124.644 121.223 -0.822 0.000 2.513 31 L HA 0.020 4.360 4.340 0.001 0.000 0.272 31 L C 0.906 177.637 176.870 -0.232 0.000 1.187 31 L CA 0.974 55.300 54.840 -0.858 0.000 0.895 31 L CB -0.510 40.836 42.059 -1.188 0.000 1.147 31 L HN 0.409 nan 8.230 nan 0.000 0.483 32 D N 3.919 124.356 120.400 0.062 0.000 2.469 32 D HA 0.040 4.680 4.640 0.001 0.000 0.213 32 D C 0.178 176.555 176.300 0.129 0.000 1.135 32 D CA -0.013 54.055 54.000 0.114 0.000 0.834 32 D CB -0.257 40.658 40.800 0.192 0.000 1.009 32 D HN 0.463 nan 8.370 nan 0.000 0.507 33 L N 1.612 122.918 121.223 0.137 0.000 2.360 33 L HA 0.217 4.557 4.340 0.001 0.000 0.276 33 L C 0.440 177.324 176.870 0.024 0.000 1.121 33 L CA -0.502 54.377 54.840 0.067 0.000 0.845 33 L CB 0.638 42.707 42.059 0.018 0.000 1.143 33 L HN -0.213 nan 8.230 nan 0.000 0.452 34 E N 1.735 121.941 120.200 0.011 0.000 2.438 34 E HA 0.010 4.361 4.350 0.001 0.000 0.261 34 E C 1.177 177.771 176.600 -0.010 0.000 1.103 34 E CA 0.622 57.020 56.400 -0.004 0.000 0.959 34 E CB 0.547 30.244 29.700 -0.004 0.000 0.958 34 E HN 0.653 nan 8.360 nan 0.000 0.447 35 G N 1.097 109.880 108.800 -0.029 0.000 2.440 35 G HA2 -0.370 3.590 3.960 0.001 0.000 0.218 35 G HA3 -0.370 3.590 3.960 0.001 0.000 0.218 35 G C 1.319 176.191 174.900 -0.046 0.000 1.154 35 G CA 1.110 46.182 45.100 -0.047 0.000 0.767 35 G HN 0.662 nan 8.290 nan 0.000 0.552 36 E N 0.291 120.468 120.200 -0.038 0.000 2.031 36 E HA -0.180 4.171 4.350 0.001 0.000 0.193 36 E C 2.355 178.962 176.600 0.011 0.000 0.994 36 E CA 1.333 57.722 56.400 -0.019 0.000 0.800 36 E CB -0.232 29.463 29.700 -0.007 0.000 0.752 36 E HN 0.417 nan 8.360 nan 0.000 0.447 37 K N 0.182 120.577 120.400 -0.008 0.000 2.103 37 K HA -0.157 4.163 4.320 0.001 0.000 0.207 37 K C 2.318 178.891 176.600 -0.044 0.000 1.048 37 K CA 1.296 57.554 56.287 -0.049 0.000 0.930 37 K CB -0.108 32.344 32.500 -0.080 0.000 0.716 37 K HN 0.201 nan 8.250 nan 0.000 0.444 38 L N 0.089 121.331 121.223 0.032 0.000 2.046 38 L HA -0.199 4.142 4.340 0.001 0.000 0.208 38 L C 2.509 179.557 176.870 0.297 0.000 1.077 38 L CA 1.380 56.330 54.840 0.183 0.000 0.747 38 L CB -0.256 41.927 42.059 0.207 0.000 0.896 38 L HN 0.142 nan 8.230 nan 0.000 0.432 39 R N -0.713 119.902 120.500 0.191 0.000 2.115 39 R HA -0.147 4.193 4.340 0.001 0.000 0.230 39 R C 2.381 178.966 176.300 0.476 0.000 1.111 39 R CA 1.031 57.336 56.100 0.342 0.000 0.976 39 R CB -0.238 30.099 30.300 0.062 0.000 0.870 39 R HN 0.225 nan 8.270 nan 0.000 0.445 40 R N 0.765 121.413 120.500 0.247 0.000 2.081 40 R HA -0.081 4.260 4.340 0.001 0.000 0.235 40 R C 2.051 178.415 176.300 0.106 0.000 1.131 40 R CA 1.236 57.435 56.100 0.164 0.000 0.960 40 R CB -0.230 30.094 30.300 0.040 0.000 0.856 40 R HN 0.171 nan 8.270 nan 0.000 0.436 41 L N -0.526 120.702 121.223 0.008 0.000 2.042 41 L HA -0.249 4.091 4.340 0.001 0.000 0.210 41 L C 2.348 179.346 176.870 0.214 0.000 1.076 41 L CA 1.483 56.292 54.840 -0.052 0.000 0.749 41 L CB -0.641 41.302 42.059 -0.192 0.000 0.893 41 L HN 0.297 nan 8.230 nan 0.000 0.432 42 Y N 0.523 121.059 120.300 0.393 0.000 2.163 42 Y HA -0.231 4.320 4.550 0.001 0.000 0.288 42 Y C 2.917 178.960 175.900 0.237 0.000 1.136 42 Y CA 1.439 59.803 58.100 0.439 0.000 1.147 42 Y CB -0.272 38.493 38.460 0.508 0.000 0.987 42 Y HN -0.032 nan 8.280 nan 0.000 0.509 43 R N 0.812 121.446 120.500 0.223 0.000 2.094 43 R HA -0.195 4.145 4.340 0.001 0.000 0.239 43 R C 1.611 177.889 176.300 -0.036 0.000 1.137 43 R CA 2.290 58.406 56.100 0.026 0.000 0.943 43 R CB -0.897 29.488 30.300 0.141 0.000 0.850 43 R HN 0.422 nan 8.270 nan 0.000 0.433 44 D N 0.132 120.558 120.400 0.044 0.000 2.178 44 D HA -0.153 4.487 4.640 0.001 0.000 0.201 44 D C 2.002 178.292 176.300 -0.016 0.000 0.980 44 D CA 1.131 55.155 54.000 0.039 0.000 0.842 44 D CB -0.158 40.727 40.800 0.143 0.000 0.948 44 D HN 0.321 nan 8.370 nan 0.000 0.472 45 M N -0.173 119.401 119.600 -0.044 0.000 2.175 45 M HA -0.072 4.409 4.480 0.001 0.000 0.264 45 M C 2.218 178.447 176.300 -0.119 0.000 1.063 45 M CA 0.783 56.044 55.300 -0.065 0.000 1.119 45 M CB -0.058 32.515 32.600 -0.045 0.000 1.377 45 M HN 0.021 nan 8.290 nan 0.000 0.415 46 L N -0.285 120.803 121.223 -0.225 0.000 2.017 46 L HA -0.177 4.163 4.340 0.001 0.000 0.208 46 L C 2.842 179.640 176.870 -0.120 0.000 1.073 46 L CA 1.269 55.980 54.840 -0.215 0.000 0.745 46 L CB -0.854 41.023 42.059 -0.304 0.000 0.894 46 L HN 0.287 nan 8.230 nan 0.000 0.432 47 A N 0.083 122.842 122.820 -0.102 0.000 1.883 47 A HA -0.244 4.076 4.320 0.001 0.000 0.217 47 A C 2.523 180.069 177.584 -0.062 0.000 1.186 47 A CA 2.002 53.998 52.037 -0.070 0.000 0.624 47 A CB -0.829 18.142 19.000 -0.050 0.000 0.822 47 A HN 0.435 nan 8.150 nan 0.000 0.444 48 A N -0.240 122.548 122.820 -0.054 0.000 1.883 48 A HA -0.204 4.116 4.320 0.001 0.000 0.217 48 A C 2.197 179.754 177.584 -0.044 0.000 1.186 48 A CA 2.415 54.425 52.037 -0.046 0.000 0.624 48 A CB -0.505 18.474 19.000 -0.035 0.000 0.822 48 A HN 0.497 nan 8.150 nan 0.000 0.444 49 R N -0.282 120.197 120.500 -0.035 0.000 2.083 49 R HA -0.039 4.302 4.340 0.001 0.000 0.237 49 R C 2.037 178.319 176.300 -0.029 0.000 1.137 49 R CA 2.330 58.422 56.100 -0.013 0.000 0.951 49 R CB -0.664 29.635 30.300 -0.002 0.000 0.851 49 R HN 0.564 nan 8.270 nan 0.000 0.434 50 M N -0.325 119.248 119.600 -0.046 0.000 2.229 50 M HA -0.079 4.401 4.480 0.001 0.000 0.264 50 M C 1.908 178.173 176.300 -0.059 0.000 1.063 50 M CA 1.107 56.381 55.300 -0.044 0.000 1.114 50 M CB -0.264 32.309 32.600 -0.046 0.000 1.387 50 M HN 0.216 nan 8.290 nan 0.000 0.420 51 L N 0.477 121.642 121.223 -0.097 0.000 2.093 51 L HA -0.169 4.172 4.340 0.001 0.000 0.208 51 L C 1.682 178.366 176.870 -0.310 0.000 1.085 51 L CA 2.065 56.800 54.840 -0.174 0.000 0.755 51 L CB -0.623 41.304 42.059 -0.221 0.000 0.904 51 L HN 0.183 nan 8.230 nan 0.000 0.435 52 D N -0.619 119.635 120.400 -0.244 0.000 2.117 52 D HA -0.209 4.432 4.640 0.001 0.000 0.197 52 D C 1.995 178.257 176.300 -0.063 0.000 0.987 52 D CA 1.502 55.381 54.000 -0.202 0.000 0.829 52 D CB 0.061 40.850 40.800 -0.018 0.000 0.961 52 D HN 0.548 nan 8.370 nan 0.000 0.460 53 E N -0.620 119.565 120.200 -0.025 0.000 2.208 53 E HA -0.148 4.202 4.350 0.001 0.000 0.193 53 E C 2.015 178.632 176.600 0.027 0.000 0.988 53 E CA 0.389 56.795 56.400 0.010 0.000 0.828 53 E CB 0.081 29.784 29.700 0.006 0.000 0.763 53 E HN 0.045 nan 8.360 nan 0.000 0.478 54 R N 0.286 120.804 120.500 0.029 0.000 2.092 54 R HA -0.143 4.198 4.340 0.001 0.000 0.231 54 R C 1.692 178.080 176.300 0.147 0.000 1.119 54 R CA 1.310 57.451 56.100 0.069 0.000 0.970 54 R CB -0.529 29.812 30.300 0.069 0.000 0.864 54 R HN 0.161 nan 8.270 nan 0.000 0.440 55 Y N 0.498 120.739 120.300 -0.099 0.000 2.207 55 Y HA -0.154 4.397 4.550 0.001 0.000 0.287 55 Y C 2.308 178.155 175.900 -0.089 0.000 1.156 55 Y CA 1.781 59.807 58.100 -0.123 0.000 1.182 55 Y CB -0.849 37.490 38.460 -0.201 0.000 0.979 55 Y HN 0.117 nan 8.280 nan 0.000 0.521 56 T N 0.442 115.056 114.554 0.099 0.000 2.720 56 T HA -0.188 4.163 4.350 0.001 0.000 0.268 56 T C 2.114 176.820 174.700 0.010 0.000 1.037 56 T CA 1.699 63.819 62.100 0.033 0.000 1.144 56 T CB -0.450 68.434 68.868 0.026 0.000 0.864 56 T HN 0.264 nan 8.240 nan 0.000 0.444 57 I N 0.551 121.131 120.570 0.016 0.000 2.353 57 I HA -0.072 4.099 4.170 0.001 0.000 0.248 57 I C 2.165 178.272 176.117 -0.016 0.000 1.119 57 I CA 0.948 62.249 61.300 0.001 0.000 1.417 57 I CB -0.363 37.640 38.000 0.005 0.000 1.078 57 I HN 0.199 nan 8.210 nan 0.000 0.421 58 L N 0.211 121.418 121.223 -0.027 0.000 2.131 58 L HA -0.225 4.115 4.340 0.001 0.000 0.210 58 L C 2.496 179.327 176.870 -0.065 0.000 1.092 58 L CA 1.012 55.813 54.840 -0.064 0.000 0.759 58 L CB -0.387 41.593 42.059 -0.132 0.000 0.903 58 L HN 0.266 nan 8.230 nan 0.000 0.435 59 I N -0.225 120.311 120.570 -0.057 0.000 2.193 59 I HA -0.234 3.936 4.170 0.001 0.000 0.240 59 I C 2.704 178.802 176.117 -0.032 0.000 1.084 59 I CA 1.246 62.517 61.300 -0.049 0.000 1.365 59 I CB -0.883 37.086 38.000 -0.052 0.000 1.064 59 I HN 0.309 nan 8.210 nan 0.000 0.410 60 R N 0.974 121.459 120.500 -0.024 0.000 2.103 60 R HA -0.196 4.145 4.340 0.001 0.000 0.242 60 R C 1.985 178.275 176.300 -0.017 0.000 1.142 60 R CA 2.327 58.417 56.100 -0.017 0.000 0.960 60 R CB -0.227 30.066 30.300 -0.012 0.000 0.858 60 R HN 0.485 nan 8.270 nan 0.000 0.439 61 T N -3.133 111.408 114.554 -0.021 0.000 3.148 61 T HA 0.182 4.532 4.350 0.001 0.000 0.253 61 T C 1.159 175.844 174.700 -0.024 0.000 1.134 61 T CA 0.403 62.491 62.100 -0.021 0.000 1.051 61 T CB 0.356 69.211 68.868 -0.022 0.000 0.959 61 T HN 0.469 nan 8.240 nan 0.000 0.525 62 G N 1.911 110.695 108.800 -0.026 0.000 2.179 62 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 62 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 62 G C 0.983 175.863 174.900 -0.034 0.000 1.010 62 G CA 0.470 45.554 45.100 -0.026 0.000 0.736 62 G HN 0.482 nan 8.290 nan 0.000 0.513 63 K N -0.746 119.627 120.400 -0.044 0.000 2.167 63 K HA 0.070 4.390 4.320 0.001 0.000 0.203 63 K C 1.192 177.752 176.600 -0.066 0.000 1.052 63 K CA 1.321 57.575 56.287 -0.054 0.000 0.956 63 K CB 0.113 32.577 32.500 -0.062 0.000 0.735 63 K HN 0.452 nan 8.250 nan 0.000 0.451 64 T N -0.651 113.858 114.554 -0.074 0.000 2.906 64 T HA 0.177 4.527 4.350 0.001 0.000 0.295 64 T C 0.495 175.174 174.700 -0.035 0.000 1.061 64 T CA -0.560 61.495 62.100 -0.075 0.000 1.000 64 T CB 1.632 70.412 68.868 -0.147 0.000 1.103 64 T HN 0.102 nan 8.240 nan 0.000 0.486 65 S N 2.482 118.186 115.700 0.006 0.000 2.575 65 S HA 0.338 4.809 4.470 0.001 0.000 0.215 65 S C -0.031 174.660 174.600 0.152 0.000 0.966 65 S CA -0.394 57.837 58.200 0.051 0.000 0.911 65 S CB -0.245 62.980 63.200 0.042 0.000 0.780 65 S HN 0.591 nan 8.310 nan 0.000 0.514 66 F N 1.215 121.128 119.950 -0.061 0.000 2.639 66 F HA 0.619 5.147 4.527 0.001 0.000 0.320 66 F C -1.726 174.046 175.800 -0.046 0.000 1.128 66 F CA -1.529 56.446 58.000 -0.042 0.000 1.037 66 F CB 1.256 40.240 39.000 -0.027 0.000 1.288 66 F HN 0.208 nan 8.300 nan 0.000 0.463 67 I N 2.521 122.696 120.570 -0.658 0.000 2.969 67 I HA 0.962 5.133 4.170 0.001 0.000 0.307 67 I C -1.530 174.194 176.117 -0.655 0.000 1.149 67 I CA -1.184 59.883 61.300 -0.388 0.000 1.008 67 I CB 2.368 40.298 38.000 -0.116 0.000 1.232 67 I HN 0.823 nan 8.210 nan 0.000 0.435 68 A N 4.349 127.057 122.820 -0.186 0.000 2.536 68 A HA 0.725 5.046 4.320 0.001 0.000 0.329 68 A C -2.702 174.892 177.584 0.016 0.000 1.321 68 A CA -1.632 50.315 52.037 -0.150 0.000 0.804 68 A CB -0.041 19.018 19.000 0.099 0.000 1.126 68 A HN 0.548 nan 8.150 nan 0.000 0.480 69 P HA 0.070 nan 4.420 nan 0.000 0.258 69 P C 0.699 177.942 177.300 -0.095 0.000 1.172 69 P CA 0.748 63.848 63.100 -0.000 0.000 0.762 69 P CB 0.963 32.658 31.700 -0.009 0.000 0.764 70 A N 3.870 126.627 122.820 -0.105 0.000 2.430 70 A HA 0.456 4.776 4.320 0.001 0.000 0.243 70 A C 0.974 178.482 177.584 -0.127 0.000 1.254 70 A CA 0.098 51.938 52.037 -0.328 0.000 0.914 70 A CB -0.328 18.325 19.000 -0.577 0.000 0.998 70 A HN 0.547 nan 8.150 nan 0.000 0.515 71 A N -0.308 122.521 122.820 0.015 0.000 2.545 71 A HA 0.441 4.762 4.320 0.001 0.000 0.253 71 A C 1.538 179.189 177.584 0.111 0.000 1.074 71 A CA 0.886 53.010 52.037 0.146 0.000 0.760 71 A CB -0.630 18.525 19.000 0.259 0.000 1.005 71 A HN 1.888 nan 8.150 nan 0.000 0.506 72 G N 1.387 110.232 108.800 0.075 0.000 2.278 72 G HA2 -0.191 3.770 3.960 0.001 0.000 0.210 72 G HA3 -0.191 3.770 3.960 0.001 0.000 0.210 72 G C 0.623 175.530 174.900 0.012 0.000 1.000 72 G CA 0.431 45.416 45.100 -0.192 0.000 0.635 72 G HN 0.890 nan 8.290 nan 0.000 0.495 73 H N 0.471 119.477 119.070 -0.107 0.000 2.551 73 H HA 0.214 4.770 4.556 0.001 0.000 0.271 73 H C 2.160 177.447 175.328 -0.067 0.000 0.984 73 H CA 0.609 56.601 56.048 -0.093 0.000 1.164 73 H CB 0.614 30.299 29.762 -0.127 0.000 1.437 73 H HN 0.460 nan 8.280 nan 0.000 0.550 74 E N 1.728 121.969 120.200 0.069 0.000 2.049 74 E HA -0.188 4.163 4.350 0.001 0.000 0.198 74 E C 2.438 179.046 176.600 0.015 0.000 1.007 74 E CA 1.409 57.827 56.400 0.030 0.000 0.809 74 E CB -0.130 29.591 29.700 0.034 0.000 0.749 74 E HN 0.411 nan 8.360 nan 0.000 0.450 75 A N 0.887 123.714 122.820 0.012 0.000 1.883 75 A HA -0.151 4.169 4.320 0.001 0.000 0.217 75 A C 2.371 179.941 177.584 -0.024 0.000 1.186 75 A CA 2.177 54.202 52.037 -0.020 0.000 0.624 75 A CB -0.997 17.994 19.000 -0.016 0.000 0.822 75 A HN 0.302 nan 8.150 nan 0.000 0.444 76 A N -0.889 121.916 122.820 -0.025 0.000 1.858 76 A HA -0.207 4.113 4.320 0.001 0.000 0.216 76 A C 2.160 179.740 177.584 -0.007 0.000 1.190 76 A CA 1.701 53.718 52.037 -0.035 0.000 0.617 76 A CB -0.656 18.297 19.000 -0.077 0.000 0.827 76 A HN 0.639 nan 8.150 nan 0.000 0.443 77 Q N -0.584 119.220 119.800 0.006 0.000 2.084 77 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 77 Q C 2.163 178.177 176.000 0.024 0.000 0.978 77 Q CA 1.647 57.457 55.803 0.011 0.000 0.844 77 Q CB -0.318 28.414 28.738 -0.010 0.000 0.898 77 Q HN 0.481 nan 8.270 nan 0.000 0.426 78 V N 0.863 120.797 119.914 0.033 0.000 2.427 78 V HA -0.264 3.857 4.120 0.001 0.000 0.248 78 V C 2.239 178.426 176.094 0.155 0.000 1.051 78 V CA 1.716 64.069 62.300 0.088 0.000 1.048 78 V CB -0.932 30.936 31.823 0.076 0.000 0.666 78 V HN 0.390 nan 8.190 nan 0.000 0.456 79 A N 0.160 123.035 122.820 0.092 0.000 1.877 79 A HA -0.197 4.123 4.320 0.001 0.000 0.216 79 A C 2.175 179.857 177.584 0.164 0.000 1.186 79 A CA 2.047 54.170 52.037 0.142 0.000 0.620 79 A CB -0.564 18.479 19.000 0.071 0.000 0.822 79 A HN 0.502 nan 8.150 nan 0.000 0.443 80 I N -0.170 120.444 120.570 0.072 0.000 2.208 80 I HA -0.301 3.870 4.170 0.001 0.000 0.245 80 I C 2.959 179.107 176.117 0.051 0.000 1.097 80 I CA 1.100 62.425 61.300 0.043 0.000 1.363 80 I CB -0.396 37.617 38.000 0.021 0.000 1.051 80 I HN 0.360 nan 8.210 nan 0.000 0.413 81 A N -0.135 122.700 122.820 0.026 0.000 1.978 81 A HA -0.239 4.082 4.320 0.001 0.000 0.220 81 A C 2.110 179.608 177.584 -0.143 0.000 1.170 81 A CA 1.656 53.650 52.037 -0.071 0.000 0.636 81 A CB -0.810 18.101 19.000 -0.150 0.000 0.810 81 A HN 0.478 nan 8.150 nan 0.000 0.448 82 H N -1.522 117.603 119.070 0.092 0.000 2.563 82 H HA 0.294 4.851 4.556 0.001 0.000 0.264 82 H C 2.221 177.704 175.328 0.259 0.000 0.957 82 H CA 0.778 56.907 56.048 0.136 0.000 1.173 82 H CB 0.078 29.876 29.762 0.060 0.000 1.420 82 H HN 0.544 nan 8.280 nan 0.000 0.551 83 A N 1.384 124.363 122.820 0.266 0.000 2.119 83 A HA 0.105 4.425 4.320 0.001 0.000 0.216 83 A C 1.407 179.021 177.584 0.049 0.000 1.152 83 A CA 0.188 52.263 52.037 0.064 0.000 0.708 83 A CB -0.332 18.601 19.000 -0.112 0.000 0.805 83 A HN 0.375 nan 8.150 nan 0.000 0.460 84 I N -4.739 115.876 120.570 0.076 0.000 3.217 84 I HA 0.782 4.953 4.170 0.001 0.000 0.308 84 I C -0.077 176.103 176.117 0.105 0.000 1.091 84 I CA -1.535 59.814 61.300 0.081 0.000 1.013 84 I CB 1.289 39.331 38.000 0.070 0.000 1.250 84 I HN -0.138 nan 8.210 nan 0.000 0.496 85 R N 3.169 123.758 120.500 0.149 0.000 2.278 85 R HA 0.502 4.843 4.340 0.001 0.000 0.322 85 R C -2.648 173.749 176.300 0.162 0.000 1.058 85 R CA -2.671 53.529 56.100 0.167 0.000 0.991 85 R CB 0.236 30.685 30.300 0.248 0.000 1.140 85 R HN 0.415 nan 8.270 nan 0.000 0.518 86 P HA 0.076 nan 4.420 nan 0.000 0.265 86 P C 0.416 177.756 177.300 0.067 0.000 1.193 86 P CA 1.085 64.211 63.100 0.043 0.000 0.765 86 P CB 0.979 32.667 31.700 -0.019 0.000 0.823 87 G N 2.274 111.099 108.800 0.042 0.000 2.268 87 G HA2 -0.357 3.604 3.960 0.001 0.000 0.240 87 G HA3 -0.357 3.604 3.960 0.001 0.000 0.240 87 G C 0.387 175.380 174.900 0.155 0.000 1.010 87 G CA 0.327 45.457 45.100 0.050 0.000 0.618 87 G HN 0.514 nan 8.290 nan 0.000 0.516 88 F N 1.715 121.683 119.950 0.029 0.000 2.479 88 F HA 0.405 4.933 4.527 0.001 0.000 0.280 88 F C 0.893 176.795 175.800 0.169 0.000 0.982 88 F CA 0.577 58.629 58.000 0.086 0.000 1.276 88 F CB 0.135 39.176 39.000 0.070 0.000 1.137 88 F HN 0.048 nan 8.300 nan 0.000 0.660 89 D N -0.219 120.218 120.400 0.062 0.000 2.358 89 D HA 0.046 4.686 4.640 0.001 0.000 0.244 89 D C -0.951 175.454 176.300 0.175 0.000 1.163 89 D CA 0.254 54.269 54.000 0.025 0.000 0.945 89 D CB 0.502 41.350 40.800 0.079 0.000 1.152 89 D HN 0.075 nan 8.370 nan 0.000 0.451 90 W N -0.012 121.253 121.300 -0.058 0.000 2.509 90 W HA 0.465 5.126 4.660 0.001 0.000 0.351 90 W C -0.410 176.141 176.519 0.052 0.000 1.107 90 W CA -0.633 56.714 57.345 0.003 0.000 1.264 90 W CB 1.031 30.535 29.460 0.074 0.000 1.312 90 W HN -0.105 nan 8.180 nan 0.000 0.608 91 V N 2.911 122.914 119.914 0.147 0.000 2.577 91 V HA 0.391 4.511 4.120 0.001 0.000 0.303 91 V C -1.216 174.803 176.094 -0.124 0.000 1.042 91 V CA -1.008 61.354 62.300 0.104 0.000 0.872 91 V CB 1.348 33.249 31.823 0.130 0.000 0.998 91 V HN 0.218 nan 8.190 nan 0.000 0.423 92 F N 6.922 126.902 119.950 0.050 0.000 2.363 92 F HA 0.492 5.019 4.527 0.001 0.000 0.366 92 F C -2.034 173.852 175.800 0.143 0.000 1.083 92 F CA -2.153 55.927 58.000 0.134 0.000 1.176 92 F CB 1.517 40.626 39.000 0.181 0.000 1.432 92 F HN 0.323 nan 8.300 nan 0.000 0.482 93 P HA 0.328 nan 4.420 nan 0.000 0.287 93 P C -1.349 175.847 177.300 -0.173 0.000 1.296 93 P CA -0.308 62.727 63.100 -0.108 0.000 0.811 93 P CB 2.039 33.480 31.700 -0.431 0.000 1.211 94 Y N -2.409 117.709 120.300 -0.304 0.000 2.693 94 Y HA 0.397 4.948 4.550 0.001 0.000 0.331 94 Y C 1.637 177.342 175.900 -0.325 0.000 1.092 94 Y CA -1.215 56.647 58.100 -0.396 0.000 1.131 94 Y CB -0.830 37.388 38.460 -0.404 0.000 1.318 94 Y HN 0.424 nan 8.280 nan 0.000 0.510 95 Y N -0.557 119.623 120.300 -0.200 0.000 2.298 95 Y HA -0.057 4.494 4.550 0.001 0.000 0.287 95 Y C 1.971 177.683 175.900 -0.313 0.000 1.164 95 Y CA 1.728 59.678 58.100 -0.250 0.000 1.229 95 Y CB -0.502 37.883 38.460 -0.126 0.000 0.977 95 Y HN 0.638 nan 8.280 nan 0.000 0.538 96 R N 0.718 120.630 120.500 -0.979 0.000 2.310 96 R HA -0.002 4.339 4.340 0.001 0.000 0.202 96 R C 0.049 175.894 176.300 -0.757 0.000 0.933 96 R CA 0.258 55.920 56.100 -0.730 0.000 1.054 96 R CB -0.104 29.700 30.300 -0.826 0.000 0.985 96 R HN 0.330 nan 8.270 nan 0.000 0.489 97 D N 0.589 120.630 120.400 -0.599 0.000 2.519 97 D HA -0.038 4.602 4.640 0.001 0.000 0.238 97 D C 1.000 177.215 176.300 -0.141 0.000 1.192 97 D CA 0.182 53.992 54.000 -0.315 0.000 0.835 97 D CB 0.029 40.764 40.800 -0.109 0.000 0.975 97 D HN 0.544 nan 8.370 nan 0.000 0.490 98 H N -1.378 117.643 119.070 -0.082 0.000 2.491 98 H HA -0.003 4.554 4.556 0.001 0.000 0.290 98 H C 1.859 177.106 175.328 -0.135 0.000 1.050 98 H CA 1.040 57.041 56.048 -0.078 0.000 1.309 98 H CB -0.151 29.557 29.762 -0.091 0.000 1.392 98 H HN 0.120 nan 8.280 nan 0.000 0.554 99 G N 2.026 110.710 108.800 -0.193 0.000 2.394 99 G HA2 -0.190 3.770 3.960 0.001 0.000 0.215 99 G HA3 -0.190 3.770 3.960 0.001 0.000 0.215 99 G C 1.742 176.598 174.900 -0.073 0.000 1.165 99 G CA 0.666 45.705 45.100 -0.101 0.000 0.784 99 G HN 0.377 nan 8.290 nan 0.000 0.535 100 L N 1.566 122.751 121.223 -0.064 0.000 2.046 100 L HA 0.204 4.545 4.340 0.001 0.000 0.208 100 L C 2.920 179.746 176.870 -0.073 0.000 1.077 100 L CA 2.130 56.960 54.840 -0.017 0.000 0.747 100 L CB -0.924 41.172 42.059 0.062 0.000 0.896 100 L HN 0.218 nan 8.230 nan 0.000 0.432 101 A N -0.511 122.225 122.820 -0.141 0.000 1.902 101 A HA -0.191 4.129 4.320 0.001 0.000 0.217 101 A C 2.266 179.670 177.584 -0.300 0.000 1.181 101 A CA 1.921 53.677 52.037 -0.469 0.000 0.623 101 A CB -1.005 17.676 19.000 -0.532 0.000 0.818 101 A HN 0.499 nan 8.150 nan 0.000 0.443 102 L N -0.241 120.885 121.223 -0.161 0.000 1.994 102 L HA -0.062 4.278 4.340 0.001 0.000 0.208 102 L C 2.709 179.515 176.870 -0.107 0.000 1.071 102 L CA 2.296 57.068 54.840 -0.115 0.000 0.745 102 L CB -0.732 41.285 42.059 -0.070 0.000 0.892 102 L HN 0.330 nan 8.230 nan 0.000 0.431 103 A N -1.065 121.699 122.820 -0.093 0.000 2.019 103 A HA -0.169 4.152 4.320 0.001 0.000 0.219 103 A C 2.185 179.667 177.584 -0.170 0.000 1.164 103 A CA 1.639 53.621 52.037 -0.091 0.000 0.644 103 A CB -0.885 18.083 19.000 -0.053 0.000 0.805 103 A HN 0.466 nan 8.150 nan 0.000 0.449 104 L N -1.246 119.873 121.223 -0.174 0.000 2.376 104 L HA 0.176 4.516 4.340 0.001 0.000 0.219 104 L C 1.538 178.314 176.870 -0.158 0.000 1.133 104 L CA 1.729 56.464 54.840 -0.176 0.000 0.816 104 L CB -0.063 41.890 42.059 -0.177 0.000 0.933 104 L HN 0.673 nan 8.230 nan 0.000 0.449 105 G N -1.039 107.670 108.800 -0.152 0.000 2.154 105 G HA2 -0.200 3.761 3.960 0.001 0.000 0.186 105 G HA3 -0.200 3.761 3.960 0.001 0.000 0.186 105 G C 0.308 175.131 174.900 -0.129 0.000 1.000 105 G CA -0.053 44.978 45.100 -0.115 0.000 0.664 105 G HN 0.232 nan 8.290 nan 0.000 0.513 106 I N 2.086 122.543 120.570 -0.188 0.000 2.533 106 I HA 0.194 4.365 4.170 0.001 0.000 0.284 106 I C -1.595 174.449 176.117 -0.122 0.000 1.109 106 I CA -1.726 59.460 61.300 -0.190 0.000 1.412 106 I CB 0.844 38.657 38.000 -0.312 0.000 1.396 106 I HN -0.097 nan 8.210 nan 0.000 0.543 107 P HA 0.017 nan 4.420 nan 0.000 0.264 107 P C 0.798 178.072 177.300 -0.044 0.000 1.193 107 P CA 0.027 63.095 63.100 -0.054 0.000 0.763 107 P CB 0.588 32.264 31.700 -0.040 0.000 0.810 108 L N 2.824 124.029 121.223 -0.030 0.000 2.081 108 L HA -0.248 4.093 4.340 0.001 0.000 0.212 108 L C 2.382 179.249 176.870 -0.005 0.000 1.080 108 L CA 1.701 56.534 54.840 -0.013 0.000 0.754 108 L CB -0.450 41.605 42.059 -0.006 0.000 0.893 108 L HN 0.494 nan 8.230 nan 0.000 0.433 109 K N 0.331 120.725 120.400 -0.010 0.000 2.074 109 K HA -0.249 4.072 4.320 0.001 0.000 0.209 109 K C 1.841 178.439 176.600 -0.004 0.000 1.048 109 K CA 1.867 58.151 56.287 -0.006 0.000 0.926 109 K CB 0.014 32.510 32.500 -0.006 0.000 0.713 109 K HN 0.405 nan 8.250 nan 0.000 0.444 110 E N 0.246 120.440 120.200 -0.010 0.000 2.112 110 E HA -0.089 4.262 4.350 0.001 0.000 0.190 110 E C 2.125 178.726 176.600 0.002 0.000 0.979 110 E CA 0.691 57.087 56.400 -0.007 0.000 0.814 110 E CB 0.066 29.752 29.700 -0.024 0.000 0.762 110 E HN 0.286 nan 8.360 nan 0.000 0.460 111 L N 0.638 121.862 121.223 0.001 0.000 2.027 111 L HA -0.163 4.177 4.340 0.001 0.000 0.206 111 L C 2.402 179.297 176.870 0.042 0.000 1.074 111 L CA 0.969 55.830 54.840 0.035 0.000 0.745 111 L CB -0.269 41.819 42.059 0.048 0.000 0.898 111 L HN 0.176 nan 8.230 nan 0.000 0.433 112 L N -0.772 120.466 121.223 0.025 0.000 2.156 112 L HA -0.079 4.261 4.340 0.001 0.000 0.208 112 L C 2.634 179.485 176.870 -0.031 0.000 1.095 112 L CA 1.045 55.876 54.840 -0.016 0.000 0.770 112 L CB -1.021 41.035 42.059 -0.005 0.000 0.914 112 L HN 0.301 nan 8.230 nan 0.000 0.439 113 G N -0.923 107.871 108.800 -0.009 0.000 2.418 113 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 113 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 113 G C 1.543 176.443 174.900 -0.001 0.000 1.158 113 G CA 0.279 45.376 45.100 -0.005 0.000 0.771 113 G HN 0.235 nan 8.290 nan 0.000 0.545 114 Q N -0.315 119.491 119.800 0.011 0.000 2.119 114 Q HA -0.023 4.318 4.340 0.001 0.000 0.201 114 Q C 2.569 178.570 176.000 0.002 0.000 0.972 114 Q CA 0.846 56.663 55.803 0.024 0.000 0.847 114 Q CB -0.239 28.533 28.738 0.056 0.000 0.903 114 Q HN 0.339 nan 8.270 nan 0.000 0.433 115 M N -0.185 119.393 119.600 -0.038 0.000 2.175 115 M HA -0.119 4.361 4.480 0.001 0.000 0.264 115 M C 1.742 177.987 176.300 -0.092 0.000 1.063 115 M CA 0.948 56.184 55.300 -0.106 0.000 1.119 115 M CB -0.648 31.785 32.600 -0.279 0.000 1.377 115 M HN 0.125 nan 8.290 nan 0.000 0.415 116 L N -0.336 120.843 121.223 -0.073 0.000 2.607 116 L HA 0.306 4.646 4.340 0.001 0.000 0.228 116 L C 1.138 177.982 176.870 -0.043 0.000 1.123 116 L CA 0.345 55.148 54.840 -0.061 0.000 0.890 116 L CB -0.680 41.343 42.059 -0.059 0.000 1.103 116 L HN 0.427 nan 8.230 nan 0.000 0.468 117 A N -0.334 122.468 122.820 -0.030 0.000 2.822 117 A HA -0.223 4.097 4.320 0.001 0.000 0.287 117 A C 0.910 178.481 177.584 -0.021 0.000 1.479 117 A CA 1.013 53.038 52.037 -0.019 0.000 0.779 117 A CB -2.626 16.355 19.000 -0.031 0.000 1.022 117 A HN 0.457 nan 8.150 nan 0.000 0.532 118 T N -3.255 111.290 114.554 -0.016 0.000 2.897 118 T HA 0.618 4.969 4.350 0.001 0.000 0.278 118 T C 1.009 175.715 174.700 0.010 0.000 0.981 118 T CA -0.142 61.942 62.100 -0.026 0.000 0.973 118 T CB 0.920 69.771 68.868 -0.028 0.000 1.092 118 T HN 0.292 nan 8.240 nan 0.000 0.543 119 K N 0.238 120.631 120.400 -0.012 0.000 2.520 119 K HA -0.027 4.294 4.320 0.001 0.000 0.197 119 K C 2.113 178.783 176.600 0.117 0.000 1.043 119 K CA 0.892 57.222 56.287 0.071 0.000 0.944 119 K CB -0.539 31.958 32.500 -0.004 0.000 0.770 119 K HN 0.704 nan 8.250 nan 0.000 0.480 120 A N 1.670 124.525 122.820 0.058 0.000 2.067 120 A HA -0.103 4.218 4.320 0.001 0.000 0.217 120 A C 0.740 178.354 177.584 0.050 0.000 1.156 120 A CA 0.445 52.510 52.037 0.046 0.000 0.683 120 A CB -0.143 18.868 19.000 0.018 0.000 0.808 120 A HN 0.225 nan 8.150 nan 0.000 0.455 121 D N 0.264 120.702 120.400 0.063 0.000 2.338 121 D HA 0.176 4.816 4.640 0.001 0.000 0.255 121 D C -1.407 174.932 176.300 0.065 0.000 1.237 121 D CA -2.139 51.895 54.000 0.056 0.000 0.883 121 D CB 1.032 41.865 40.800 0.054 0.000 1.087 121 D HN 0.100 nan 8.370 nan 0.000 0.485 122 P HA -0.094 nan 4.420 nan 0.000 0.231 122 P C 0.138 177.430 177.300 -0.014 0.000 1.158 122 P CA 0.567 63.669 63.100 0.003 0.000 0.763 122 P CB 0.352 32.044 31.700 -0.014 0.000 0.805 123 N N 0.507 119.211 118.700 0.008 0.000 2.270 123 N HA 0.039 4.779 4.740 0.001 0.000 0.198 123 N C 0.196 175.716 175.510 0.017 0.000 1.117 123 N CA -0.008 53.038 53.050 -0.007 0.000 0.845 123 N CB -0.044 38.446 38.487 0.006 0.000 0.980 123 N HN 0.160 nan 8.380 nan 0.000 0.486 124 K N 0.006 120.451 120.400 0.074 0.000 3.035 124 K HA -0.205 4.115 4.320 0.001 0.000 0.262 124 K C 0.682 177.388 176.600 0.177 0.000 1.024 124 K CA 0.382 56.794 56.287 0.208 0.000 0.748 124 K CB -1.867 30.722 32.500 0.149 0.000 1.247 124 K HN 0.408 nan 8.250 nan 0.000 0.482 125 G N 0.441 109.295 108.800 0.090 0.000 2.296 125 G HA2 -0.388 3.573 3.960 0.001 0.000 0.282 125 G HA3 -0.388 3.573 3.960 0.001 0.000 0.282 125 G C 0.964 175.865 174.900 0.003 0.000 1.014 125 G CA 0.769 45.890 45.100 0.036 0.000 0.812 125 G HN 0.374 nan 8.290 nan 0.000 0.508 126 R N -0.516 119.981 120.500 -0.005 0.000 2.092 126 R HA 0.014 4.354 4.340 0.001 0.000 0.231 126 R C 1.499 177.740 176.300 -0.097 0.000 1.119 126 R CA 1.348 57.420 56.100 -0.046 0.000 0.970 126 R CB -0.100 30.169 30.300 -0.052 0.000 0.864 126 R HN 0.715 nan 8.270 nan 0.000 0.440 127 Q N 0.135 119.862 119.800 -0.121 0.000 2.418 127 Q HA 0.388 4.728 4.340 0.001 0.000 0.276 127 Q C 0.162 176.014 176.000 -0.246 0.000 1.081 127 Q CA -0.717 54.941 55.803 -0.241 0.000 0.864 127 Q CB 1.884 30.403 28.738 -0.364 0.000 1.384 127 Q HN 0.028 nan 8.270 nan 0.000 0.467 128 M N -0.693 118.682 119.600 -0.375 0.000 2.113 128 M HA 0.381 4.861 4.480 0.001 0.000 0.288 128 M C -2.326 173.914 176.300 -0.100 0.000 1.225 128 M CA -1.448 53.702 55.300 -0.250 0.000 1.148 128 M CB -0.594 31.814 32.600 -0.318 0.000 1.388 128 M HN 0.144 nan 8.290 nan 0.000 0.469 129 P HA -0.029 nan 4.420 nan 0.000 0.270 129 P C -0.716 176.810 177.300 0.376 0.000 1.227 129 P CA 0.439 63.638 63.100 0.164 0.000 0.788 129 P CB 0.254 32.047 31.700 0.155 0.000 0.926 130 E N -0.857 119.541 120.200 0.330 0.000 2.694 130 E HA -0.230 4.121 4.350 0.001 0.000 0.272 130 E C -0.604 176.126 176.600 0.217 0.000 1.040 130 E CA 0.914 57.528 56.400 0.356 0.000 0.809 130 E CB -2.436 27.547 29.700 0.473 0.000 1.389 130 E HN 0.640 nan 8.360 nan 0.000 0.413 131 H N -0.998 118.157 119.070 0.141 0.000 2.624 131 H HA 0.225 4.781 4.556 0.001 0.000 0.233 131 H C -2.169 173.218 175.328 0.097 0.000 1.376 131 H CA -1.197 54.911 56.048 0.101 0.000 1.137 131 H CB 0.627 30.412 29.762 0.039 0.000 1.867 131 H HN 0.106 nan 8.280 nan 0.000 0.547 132 P HA 0.341 nan 4.420 nan 0.000 0.273 132 P C 0.335 177.787 177.300 0.253 0.000 1.250 132 P CA -0.043 63.188 63.100 0.219 0.000 0.793 132 P CB 1.546 33.387 31.700 0.235 0.000 1.011 133 G N -1.317 107.613 108.800 0.218 0.000 2.716 133 G HA2 0.439 4.399 3.960 0.001 0.000 0.299 133 G HA3 0.439 4.399 3.960 0.001 0.000 0.299 133 G C -1.716 173.241 174.900 0.095 0.000 1.450 133 G CA -0.284 44.926 45.100 0.183 0.000 0.968 133 G HN 0.556 nan 8.290 nan 0.000 0.566 134 S N 1.125 116.881 115.700 0.092 0.000 2.677 134 S HA 0.429 4.899 4.470 0.001 0.000 0.283 134 S C 0.896 175.441 174.600 -0.091 0.000 1.159 134 S CA -0.465 57.724 58.200 -0.019 0.000 1.001 134 S CB 1.695 64.860 63.200 -0.059 0.000 1.032 134 S HN 0.820 nan 8.310 nan 0.000 0.487 135 K N 3.849 124.186 120.400 -0.106 0.000 2.057 135 K HA 0.027 4.347 4.320 0.001 0.000 0.206 135 K C 1.957 178.462 176.600 -0.159 0.000 1.050 135 K CA 1.448 57.648 56.287 -0.145 0.000 0.935 135 K CB -0.474 31.977 32.500 -0.082 0.000 0.715 135 K HN 0.711 nan 8.250 nan 0.000 0.439 136 A N 1.149 123.906 122.820 -0.106 0.000 1.940 136 A HA -0.102 4.219 4.320 0.001 0.000 0.219 136 A C 1.771 179.287 177.584 -0.113 0.000 1.176 136 A CA 1.267 53.252 52.037 -0.087 0.000 0.631 136 A CB -0.342 18.621 19.000 -0.062 0.000 0.814 136 A HN 0.361 nan 8.150 nan 0.000 0.446 137 L N -0.554 120.588 121.223 -0.136 0.000 2.791 137 L HA 0.133 4.474 4.340 0.001 0.000 0.239 137 L C -0.232 176.511 176.870 -0.213 0.000 1.203 137 L CA -0.325 54.433 54.840 -0.137 0.000 1.002 137 L CB -0.220 41.766 42.059 -0.122 0.000 1.295 137 L HN 0.332 nan 8.230 nan 0.000 0.504 138 N N 0.285 118.730 118.700 -0.426 0.000 2.710 138 N HA -0.281 4.460 4.740 0.001 0.000 0.249 138 N C -0.311 174.893 175.510 -0.510 0.000 1.059 138 N CA 0.908 53.415 53.050 -0.904 0.000 0.720 138 N CB -1.457 36.266 38.487 -1.272 0.000 0.983 138 N HN 0.218 nan 8.380 nan 0.000 0.544 139 F N 1.129 120.831 119.950 -0.412 0.000 2.384 139 F HA 0.338 4.865 4.527 0.001 0.000 0.359 139 F C 0.231 175.900 175.800 -0.218 0.000 1.143 139 F CA -1.263 56.587 58.000 -0.250 0.000 1.216 139 F CB -0.089 38.811 39.000 -0.167 0.000 1.512 139 F HN 0.027 nan 8.300 nan 0.000 0.573 140 F N 4.249 123.842 119.950 -0.595 0.000 2.549 140 F HA -0.031 4.496 4.527 0.001 0.000 0.400 140 F C 1.086 176.677 175.800 -0.348 0.000 1.011 140 F CA 0.323 58.017 58.000 -0.510 0.000 1.148 140 F CB -0.079 38.394 39.000 -0.880 0.000 0.993 140 F HN 0.307 nan 8.300 nan 0.000 0.540 141 T N 6.305 120.562 114.554 -0.495 0.000 2.800 141 T HA 0.036 4.387 4.350 0.001 0.000 0.283 141 T C 0.328 174.875 174.700 -0.256 0.000 0.999 141 T CA -0.400 61.515 62.100 -0.308 0.000 1.176 141 T CB -0.141 68.567 68.868 -0.267 0.000 0.973 141 T HN 0.376 nan 8.240 nan 0.000 0.519 142 V N 3.232 123.066 119.914 -0.133 0.000 2.720 142 V HA 0.266 4.387 4.120 0.001 0.000 0.307 142 V C 0.777 176.898 176.094 0.045 0.000 1.071 142 V CA 0.057 62.299 62.300 -0.097 0.000 1.199 142 V CB -0.082 31.645 31.823 -0.160 0.000 0.900 142 V HN 1.084 nan 8.190 nan 0.000 0.494 143 A N 4.157 127.024 122.820 0.077 0.000 2.337 143 A HA 0.645 4.966 4.320 0.001 0.000 0.331 143 A C 1.017 178.739 177.584 0.231 0.000 1.137 143 A CA -0.175 51.967 52.037 0.175 0.000 0.807 143 A CB 1.543 20.650 19.000 0.178 0.000 1.250 143 A HN 0.751 nan 8.150 nan 0.000 0.468 144 S N 0.940 116.803 115.700 0.272 0.000 2.357 144 S HA 0.025 4.496 4.470 0.001 0.000 0.221 144 S C -1.417 173.313 174.600 0.218 0.000 1.031 144 S CA 0.953 59.321 58.200 0.280 0.000 0.982 144 S CB -1.017 62.292 63.200 0.181 0.000 0.853 144 S HN 0.794 nan 8.310 nan 0.000 0.458 145 P HA 0.101 nan 4.420 nan 0.000 0.265 145 P C -0.283 177.149 177.300 0.221 0.000 1.222 145 P CA 0.021 63.221 63.100 0.168 0.000 0.767 145 P CB 0.034 31.814 31.700 0.132 0.000 0.801 146 I N 2.725 123.428 120.570 0.220 0.000 2.906 146 I HA -0.183 3.988 4.170 0.001 0.000 0.302 146 I C 1.665 177.918 176.117 0.227 0.000 1.220 146 I CA 1.115 62.562 61.300 0.245 0.000 1.441 146 I CB -1.072 37.040 38.000 0.186 0.000 1.336 146 I HN 0.738 nan 8.210 nan 0.000 0.565 147 A N 4.693 127.697 122.820 0.308 0.000 3.420 147 A HA -0.270 4.050 4.320 0.001 0.000 0.269 147 A C 1.879 179.562 177.584 0.165 0.000 1.122 147 A CA 1.516 53.666 52.037 0.189 0.000 1.023 147 A CB -2.208 16.851 19.000 0.099 0.000 1.099 147 A HN 0.964 nan 8.150 nan 0.000 0.860 148 S N 0.312 116.184 115.700 0.288 0.000 2.507 148 S HA -0.182 4.289 4.470 0.001 0.000 0.235 148 S C 1.519 176.286 174.600 0.278 0.000 0.988 148 S CA 1.265 59.603 58.200 0.230 0.000 0.944 148 S CB -0.835 62.501 63.200 0.226 0.000 0.762 148 S HN 1.281 nan 8.310 nan 0.000 0.526 149 H N 0.202 119.404 119.070 0.220 0.000 2.539 149 H HA 0.329 4.885 4.556 0.001 0.000 0.267 149 H C 1.646 177.064 175.328 0.151 0.000 0.982 149 H CA 0.457 56.677 56.048 0.287 0.000 1.146 149 H CB -0.767 29.247 29.762 0.419 0.000 1.382 149 H HN 0.348 nan 8.280 nan 0.000 0.577 150 V N 2.023 121.765 119.914 -0.287 0.000 2.307 150 V HA -0.107 4.013 4.120 0.001 0.000 0.245 150 V C -0.329 175.636 176.094 -0.215 0.000 1.045 150 V CA 1.657 63.786 62.300 -0.285 0.000 1.024 150 V CB -1.152 30.442 31.823 -0.381 0.000 0.651 150 V HN 0.380 nan 8.190 nan 0.000 0.449 151 P HA -0.074 nan 4.420 nan 0.000 0.215 151 P C -1.349 175.847 177.300 -0.173 0.000 1.157 151 P CA 1.783 64.802 63.100 -0.135 0.000 0.868 151 P CB -1.162 30.502 31.700 -0.060 0.000 0.788 152 P HA -0.179 nan 4.420 nan 0.000 0.215 152 P C 1.481 178.356 177.300 -0.708 0.000 1.153 152 P CA 2.039 64.980 63.100 -0.265 0.000 0.853 152 P CB -0.657 30.993 31.700 -0.084 0.000 0.788 153 A N 0.058 122.247 122.820 -1.052 0.000 1.917 153 A HA -0.208 4.113 4.320 0.001 0.000 0.219 153 A C 2.331 179.419 177.584 -0.826 0.000 1.182 153 A CA 2.375 53.432 52.037 -1.633 0.000 0.633 153 A CB -1.667 16.718 19.000 -1.026 0.000 0.819 153 A HN 0.206 nan 8.150 nan 0.000 0.448 154 A N -0.643 121.907 122.820 -0.450 0.000 1.902 154 A HA 0.114 4.435 4.320 0.001 0.000 0.217 154 A C 2.427 179.781 177.584 -0.384 0.000 1.181 154 A CA 2.003 53.848 52.037 -0.320 0.000 0.623 154 A CB -1.389 17.482 19.000 -0.215 0.000 0.818 154 A HN 0.755 nan 8.150 nan 0.000 0.443 155 G N -0.547 108.052 108.800 -0.336 0.000 2.421 155 G HA2 0.017 3.977 3.960 0.001 0.000 0.216 155 G HA3 0.017 3.977 3.960 0.001 0.000 0.216 155 G C 1.779 176.479 174.900 -0.334 0.000 1.171 155 G CA 1.476 46.412 45.100 -0.273 0.000 0.775 155 G HN 0.799 nan 8.290 nan 0.000 0.543 156 A N 1.350 123.910 122.820 -0.434 0.000 1.883 156 A HA 0.143 4.463 4.320 0.001 0.000 0.217 156 A C 2.849 180.162 177.584 -0.451 0.000 1.186 156 A CA 2.599 54.344 52.037 -0.486 0.000 0.624 156 A CB -0.962 17.723 19.000 -0.524 0.000 0.822 156 A HN 0.877 nan 8.150 nan 0.000 0.444 157 A N -0.140 122.422 122.820 -0.431 0.000 1.908 157 A HA -0.126 4.195 4.320 0.001 0.000 0.218 157 A C 2.129 179.528 177.584 -0.309 0.000 1.181 157 A CA 1.637 53.461 52.037 -0.356 0.000 0.627 157 A CB -0.667 18.122 19.000 -0.351 0.000 0.818 157 A HN 0.526 nan 8.150 nan 0.000 0.445 158 I N -0.741 119.632 120.570 -0.329 0.000 2.286 158 I HA -0.216 3.954 4.170 0.001 0.000 0.248 158 I C 2.809 178.788 176.117 -0.229 0.000 1.115 158 I CA 1.439 62.562 61.300 -0.295 0.000 1.392 158 I CB -0.259 37.526 38.000 -0.358 0.000 1.065 158 I HN 0.411 nan 8.210 nan 0.000 0.418 159 S N 0.846 116.401 115.700 -0.241 0.000 2.368 159 S HA -0.184 4.286 4.470 0.001 0.000 0.225 159 S C 2.133 176.616 174.600 -0.195 0.000 1.030 159 S CA 1.411 59.489 58.200 -0.204 0.000 0.999 159 S CB -0.148 62.910 63.200 -0.237 0.000 0.844 159 S HN 0.292 nan 8.310 nan 0.000 0.459 160 M N 0.972 120.426 119.600 -0.243 0.000 2.213 160 M HA -0.109 4.372 4.480 0.001 0.000 0.263 160 M C 2.305 178.519 176.300 -0.144 0.000 1.062 160 M CA 1.600 56.775 55.300 -0.209 0.000 1.105 160 M CB -0.338 32.109 32.600 -0.255 0.000 1.385 160 M HN 0.300 nan 8.290 nan 0.000 0.417 161 K N 1.283 121.593 120.400 -0.149 0.000 2.031 161 K HA -0.084 4.236 4.320 0.001 0.000 0.205 161 K C 1.781 178.329 176.600 -0.087 0.000 1.049 161 K CA 1.070 57.289 56.287 -0.113 0.000 0.939 161 K CB -0.055 32.367 32.500 -0.129 0.000 0.717 161 K HN 0.309 nan 8.250 nan 0.000 0.438 162 L N 0.989 122.155 121.223 -0.095 0.000 2.093 162 L HA -0.127 4.213 4.340 0.001 0.000 0.208 162 L C 2.100 178.939 176.870 -0.051 0.000 1.085 162 L CA 0.899 55.698 54.840 -0.069 0.000 0.755 162 L CB -0.249 41.768 42.059 -0.071 0.000 0.904 162 L HN 0.210 nan 8.230 nan 0.000 0.435 163 L N -0.597 120.591 121.223 -0.059 0.000 2.591 163 L HA 0.084 4.424 4.340 0.001 0.000 0.228 163 L C 0.577 177.435 176.870 -0.020 0.000 1.133 163 L CA -0.051 54.766 54.840 -0.037 0.000 0.880 163 L CB -0.219 41.813 42.059 -0.044 0.000 1.033 163 L HN 0.209 nan 8.230 nan 0.000 0.450 164 R N -0.321 120.164 120.500 -0.026 0.000 3.387 164 R HA -0.209 4.131 4.340 0.001 0.000 0.254 164 R C 1.430 177.745 176.300 0.024 0.000 1.006 164 R CA 0.709 56.806 56.100 -0.005 0.000 0.677 164 R CB -2.114 28.188 30.300 0.004 0.000 1.063 164 R HN 0.518 nan 8.270 nan 0.000 0.453 165 T N -4.186 110.376 114.554 0.013 0.000 3.043 165 T HA 0.132 4.483 4.350 0.001 0.000 0.263 165 T C 1.634 176.431 174.700 0.162 0.000 1.094 165 T CA 0.825 62.967 62.100 0.070 0.000 1.127 165 T CB 0.487 69.356 68.868 0.002 0.000 0.905 165 T HN 0.800 nan 8.240 nan 0.000 0.490 166 G N 0.945 109.799 108.800 0.090 0.000 2.159 166 G HA2 -0.253 3.707 3.960 0.001 0.000 0.256 166 G HA3 -0.253 3.707 3.960 0.001 0.000 0.256 166 G C -0.095 174.885 174.900 0.133 0.000 0.977 166 G CA 0.302 45.498 45.100 0.160 0.000 0.652 166 G HN 0.708 nan 8.290 nan 0.000 0.531 167 Q N -0.879 118.825 119.800 -0.160 0.000 2.318 167 Q HA 0.691 5.032 4.340 0.001 0.000 0.222 167 Q C 0.047 175.924 176.000 -0.205 0.000 1.003 167 Q CA -0.420 55.108 55.803 -0.458 0.000 0.936 167 Q CB 1.963 30.313 28.738 -0.648 0.000 1.204 167 Q HN 0.234 nan 8.270 nan 0.000 0.524 168 V N -0.153 119.662 119.914 -0.165 0.000 2.962 168 V HA 0.724 4.845 4.120 0.001 0.000 0.313 168 V C -1.235 174.813 176.094 -0.075 0.000 1.099 168 V CA -0.920 61.314 62.300 -0.110 0.000 0.971 168 V CB 2.045 33.832 31.823 -0.059 0.000 1.028 168 V HN 0.818 nan 8.190 nan 0.000 0.430 169 A N 2.657 125.408 122.820 -0.115 0.000 2.304 169 A HA 0.814 5.135 4.320 0.001 0.000 0.314 169 A C -0.617 176.899 177.584 -0.114 0.000 1.187 169 A CA -0.547 51.467 52.037 -0.038 0.000 0.810 169 A CB 1.303 20.205 19.000 -0.164 0.000 1.183 169 A HN 1.356 nan 8.150 nan 0.000 0.487 170 V N 0.086 120.013 119.914 0.021 0.000 2.472 170 V HA 0.724 4.844 4.120 0.001 0.000 0.290 170 V C -0.069 176.056 176.094 0.052 0.000 1.037 170 V CA -0.860 61.415 62.300 -0.042 0.000 0.908 170 V CB 0.679 32.507 31.823 0.008 0.000 0.985 170 V HN 1.121 nan 8.190 nan 0.000 0.454 171 C N 5.897 125.174 119.300 -0.038 0.000 2.346 171 C HA 0.849 5.310 4.460 0.001 0.000 0.326 171 C C 0.435 175.570 174.990 0.242 0.000 1.224 171 C CA 0.570 59.692 59.018 0.174 0.000 1.408 171 C CB 0.382 28.165 27.740 0.071 0.000 2.089 171 C HN 1.286 nan 8.230 nan 0.000 0.456 172 T N 2.976 117.701 114.554 0.285 0.000 2.925 172 T HA 0.914 5.265 4.350 0.001 0.000 0.285 172 T C -0.710 174.139 174.700 0.250 0.000 1.021 172 T CA -0.413 61.728 62.100 0.069 0.000 1.042 172 T CB 1.525 70.465 68.868 0.119 0.000 1.037 172 T HN 1.113 nan 8.240 nan 0.000 0.481 173 F N -1.680 118.308 119.950 0.064 0.000 2.773 173 F HA 0.785 5.312 4.527 0.001 0.000 0.314 173 F C -0.061 175.452 175.800 -0.480 0.000 1.160 173 F CA -1.488 56.278 58.000 -0.390 0.000 0.920 173 F CB 0.558 39.543 39.000 -0.026 0.000 1.323 173 F HN 0.907 nan 8.300 nan 0.000 0.457 174 G N -0.259 108.258 108.800 -0.472 0.000 2.535 174 G HA2 0.357 4.317 3.960 0.001 0.000 0.303 174 G HA3 0.357 4.317 3.960 0.001 0.000 0.303 174 G C 0.143 175.056 174.900 0.021 0.000 1.237 174 G CA -0.121 44.883 45.100 -0.160 0.000 0.986 174 G HN 0.883 nan 8.290 nan 0.000 0.494 175 D N -0.498 119.898 120.400 -0.006 0.000 2.117 175 D HA -0.119 4.522 4.640 0.001 0.000 0.197 175 D C 2.250 178.507 176.300 -0.071 0.000 0.987 175 D CA 1.369 55.364 54.000 -0.008 0.000 0.829 175 D CB -0.887 39.930 40.800 0.028 0.000 0.961 175 D HN 0.486 nan 8.370 nan 0.000 0.460 176 G N 1.228 110.004 108.800 -0.040 0.000 2.442 176 G HA2 -0.203 3.757 3.960 0.001 0.000 0.219 176 G HA3 -0.203 3.757 3.960 0.001 0.000 0.219 176 G C 1.868 176.692 174.900 -0.126 0.000 1.141 176 G CA 1.618 46.678 45.100 -0.066 0.000 0.763 176 G HN 0.507 nan 8.290 nan 0.000 0.554 177 A N 0.805 123.554 122.820 -0.118 0.000 2.024 177 A HA -0.043 4.278 4.320 0.001 0.000 0.220 177 A C 2.558 179.839 177.584 -0.504 0.000 1.164 177 A CA 2.482 54.415 52.037 -0.173 0.000 0.643 177 A CB -0.997 17.965 19.000 -0.063 0.000 0.806 177 A HN 0.603 nan 8.150 nan 0.000 0.451 178 T N -3.656 110.431 114.554 -0.778 0.000 3.098 178 T HA 0.009 4.360 4.350 0.001 0.000 0.266 178 T C 1.573 175.773 174.700 -0.834 0.000 1.145 178 T CA 1.494 62.669 62.100 -1.541 0.000 1.092 178 T CB -0.239 67.846 68.868 -1.306 0.000 0.908 178 T HN 0.224 nan 8.240 nan 0.000 0.526 179 S N 0.512 115.962 115.700 -0.417 0.000 2.524 179 S HA 0.136 4.607 4.470 0.001 0.000 0.216 179 S C 0.710 175.250 174.600 -0.100 0.000 0.987 179 S CA -0.147 57.921 58.200 -0.220 0.000 0.909 179 S CB 0.006 63.105 63.200 -0.169 0.000 0.781 179 S HN 0.542 nan 8.310 nan 0.000 0.521 180 E N 0.718 120.878 120.200 -0.066 0.000 2.383 180 E HA 0.156 4.507 4.350 0.001 0.000 0.264 180 E C 1.292 177.964 176.600 0.120 0.000 1.050 180 E CA 0.018 56.437 56.400 0.031 0.000 0.896 180 E CB 0.842 30.574 29.700 0.052 0.000 0.982 180 E HN 0.294 nan 8.360 nan 0.000 0.424 181 G N 2.753 111.612 108.800 0.098 0.000 2.418 181 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 181 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 181 G C 0.892 175.899 174.900 0.177 0.000 1.158 181 G CA 0.437 45.619 45.100 0.137 0.000 0.771 181 G HN 0.396 nan 8.290 nan 0.000 0.545 182 D N -0.498 119.972 120.400 0.115 0.000 2.218 182 D HA -0.095 4.546 4.640 0.001 0.000 0.204 182 D C 1.719 178.032 176.300 0.023 0.000 0.976 182 D CA 0.430 54.465 54.000 0.060 0.000 0.853 182 D CB -0.272 40.554 40.800 0.044 0.000 0.939 182 D HN 0.555 nan 8.370 nan 0.000 0.481 183 W N 0.466 121.692 121.300 -0.124 0.000 2.354 183 W HA -0.296 4.365 4.660 0.001 0.000 0.315 183 W C 2.269 178.653 176.519 -0.225 0.000 1.206 183 W CA 1.448 58.637 57.345 -0.259 0.000 1.290 183 W CB -0.775 28.522 29.460 -0.273 0.000 1.152 183 W HN 0.055 nan 8.180 nan 0.000 0.489 184 Y N 1.120 121.489 120.300 0.115 0.000 2.145 184 Y HA -0.167 4.383 4.550 0.001 0.000 0.286 184 Y C 2.316 178.160 175.900 -0.093 0.000 1.145 184 Y CA 2.919 61.065 58.100 0.076 0.000 1.148 184 Y CB -1.084 37.550 38.460 0.291 0.000 0.981 184 Y HN 0.003 nan 8.280 nan 0.000 0.507 185 A N 0.241 123.023 122.820 -0.063 0.000 1.902 185 A HA -0.093 4.227 4.320 0.001 0.000 0.217 185 A C 2.459 179.868 177.584 -0.292 0.000 1.181 185 A CA 1.772 53.709 52.037 -0.166 0.000 0.623 185 A CB -1.711 17.281 19.000 -0.012 0.000 0.818 185 A HN 0.615 nan 8.150 nan 0.000 0.443 186 G N -0.014 108.582 108.800 -0.339 0.000 2.414 186 G HA2 -0.167 3.793 3.960 0.001 0.000 0.215 186 G HA3 -0.167 3.793 3.960 0.001 0.000 0.215 186 G C 1.528 176.079 174.900 -0.582 0.000 1.188 186 G CA 1.089 45.973 45.100 -0.359 0.000 0.783 186 G HN 0.466 nan 8.290 nan 0.000 0.537 187 I N 0.950 120.867 120.570 -1.087 0.000 2.286 187 I HA -0.183 3.987 4.170 0.001 0.000 0.248 187 I C 2.589 177.991 176.117 -1.191 0.000 1.115 187 I CA 1.260 61.619 61.300 -1.568 0.000 1.392 187 I CB -0.267 36.271 38.000 -2.436 0.000 1.065 187 I HN 0.184 nan 8.210 nan 0.000 0.418 188 N N 1.197 119.304 118.700 -0.989 0.000 2.069 188 N HA -0.275 4.466 4.740 0.001 0.000 0.191 188 N C 1.851 177.241 175.510 -0.200 0.000 1.031 188 N CA 1.556 54.324 53.050 -0.469 0.000 0.852 188 N CB -0.276 37.968 38.487 -0.405 0.000 1.018 188 N HN 0.222 nan 8.380 nan 0.000 0.423 189 F N 1.129 120.864 119.950 -0.358 0.000 2.134 189 F HA 0.112 4.640 4.527 0.001 0.000 0.299 189 F C 2.195 177.864 175.800 -0.219 0.000 1.097 189 F CA 1.200 59.057 58.000 -0.238 0.000 1.264 189 F CB -1.130 37.741 39.000 -0.215 0.000 1.001 189 F HN 0.135 nan 8.300 nan 0.000 0.479 190 A N 0.409 123.051 122.820 -0.297 0.000 1.908 190 A HA -0.065 4.256 4.320 0.001 0.000 0.218 190 A C 2.494 179.937 177.584 -0.236 0.000 1.181 190 A CA 2.137 53.976 52.037 -0.331 0.000 0.627 190 A CB -1.535 17.370 19.000 -0.158 0.000 0.818 190 A HN 0.468 nan 8.150 nan 0.000 0.445 191 A N -0.605 122.083 122.820 -0.219 0.000 1.902 191 A HA 0.004 4.325 4.320 0.001 0.000 0.217 191 A C 2.209 179.752 177.584 -0.069 0.000 1.181 191 A CA 1.761 53.723 52.037 -0.125 0.000 0.623 191 A CB -0.967 17.969 19.000 -0.107 0.000 0.818 191 A HN 0.428 nan 8.150 nan 0.000 0.443 192 V N 0.083 119.970 119.914 -0.045 0.000 2.407 192 V HA -0.228 3.892 4.120 0.001 0.000 0.248 192 V C 2.346 178.421 176.094 -0.031 0.000 1.055 192 V CA 1.915 64.218 62.300 0.005 0.000 1.049 192 V CB -0.665 31.209 31.823 0.084 0.000 0.662 192 V HN 0.552 nan 8.190 nan 0.000 0.455 193 Q N -0.262 119.467 119.800 -0.117 0.000 2.403 193 Q HA 0.170 4.511 4.340 0.001 0.000 0.203 193 Q C 1.733 177.648 176.000 -0.140 0.000 0.932 193 Q CA 0.781 56.487 55.803 -0.161 0.000 0.945 193 Q CB 0.158 28.687 28.738 -0.347 0.000 1.045 193 Q HN 0.766 nan 8.270 nan 0.000 0.511 194 G N 1.477 110.208 108.800 -0.115 0.000 2.305 194 G HA2 -0.296 3.664 3.960 0.001 0.000 0.287 194 G HA3 -0.296 3.664 3.960 0.001 0.000 0.287 194 G C 0.298 175.127 174.900 -0.119 0.000 1.036 194 G CA 0.360 45.406 45.100 -0.090 0.000 0.887 194 G HN 0.539 nan 8.290 nan 0.000 0.505 195 A N 0.596 123.313 122.820 -0.171 0.000 2.425 195 A HA 0.631 4.952 4.320 0.001 0.000 0.249 195 A C -0.830 176.652 177.584 -0.171 0.000 1.084 195 A CA -0.740 51.178 52.037 -0.200 0.000 0.781 195 A CB 0.501 19.332 19.000 -0.282 0.000 1.019 195 A HN 0.290 nan 8.150 nan 0.000 0.490 196 P HA 0.262 nan 4.420 nan 0.000 0.241 196 P C -0.529 176.645 177.300 -0.211 0.000 1.760 196 P CA 0.626 63.633 63.100 -0.155 0.000 1.081 196 P CB -0.212 31.409 31.700 -0.132 0.000 1.975 197 A N 2.135 124.804 122.820 -0.251 0.000 2.386 197 A HA 0.649 4.969 4.320 0.001 0.000 0.311 197 A C -0.810 176.492 177.584 -0.471 0.000 1.068 197 A CA -0.677 51.100 52.037 -0.433 0.000 0.743 197 A CB 1.870 20.522 19.000 -0.579 0.000 1.258 197 A HN 0.138 nan 8.150 nan 0.000 0.429 198 V N 2.184 121.764 119.914 -0.558 0.000 2.443 198 V HA 0.415 4.535 4.120 0.001 0.000 0.293 198 V C -1.343 174.452 176.094 -0.497 0.000 1.021 198 V CA -0.223 61.854 62.300 -0.371 0.000 0.848 198 V CB 0.883 32.599 31.823 -0.177 0.000 0.998 198 V HN 0.695 nan 8.190 nan 0.000 0.424 199 F N 5.436 125.402 119.950 0.027 0.000 2.391 199 F HA 0.618 5.145 4.527 0.001 0.000 0.359 199 F C 0.261 176.148 175.800 0.146 0.000 1.122 199 F CA -0.512 57.594 58.000 0.178 0.000 1.120 199 F CB 1.014 40.114 39.000 0.168 0.000 1.142 199 F HN 0.248 nan 8.300 nan 0.000 0.483 200 I N 3.345 123.934 120.570 0.032 0.000 2.406 200 I HA 0.571 4.741 4.170 0.001 0.000 0.290 200 I C -0.299 175.360 176.117 -0.763 0.000 0.999 200 I CA -0.934 60.240 61.300 -0.210 0.000 1.124 200 I CB 1.716 39.624 38.000 -0.153 0.000 1.289 200 I HN 0.633 nan 8.210 nan 0.000 0.441 201 A N 5.386 127.915 122.820 -0.485 0.000 2.274 201 A HA 0.478 4.798 4.320 0.001 0.000 0.309 201 A C -0.151 177.259 177.584 -0.290 0.000 1.226 201 A CA -0.476 51.251 52.037 -0.516 0.000 0.853 201 A CB 0.304 19.306 19.000 0.004 0.000 1.146 201 A HN 0.762 nan 8.150 nan 0.000 0.518 202 E N 2.365 122.409 120.200 -0.260 0.000 2.136 202 E HA 0.061 4.412 4.350 0.001 0.000 0.246 202 E C -0.690 175.780 176.600 -0.217 0.000 1.017 202 E CA -0.449 55.837 56.400 -0.189 0.000 0.883 202 E CB 0.403 30.112 29.700 0.014 0.000 1.199 202 E HN 0.584 nan 8.360 nan 0.000 0.447 203 N N 2.775 121.288 118.700 -0.311 0.000 2.402 203 N HA -0.008 4.733 4.740 0.001 0.000 0.252 203 N C -0.104 174.969 175.510 -0.728 0.000 1.118 203 N CA -0.193 52.584 53.050 -0.455 0.000 0.945 203 N CB 0.344 38.525 38.487 -0.510 0.000 1.147 203 N HN 0.284 nan 8.380 nan 0.000 0.495 204 N N 3.491 121.879 118.700 -0.520 0.000 2.214 204 N HA 0.078 4.818 4.740 0.001 0.000 0.214 204 N C -0.353 174.982 175.510 -0.290 0.000 1.132 204 N CA -0.394 52.391 53.050 -0.442 0.000 0.856 204 N CB -0.506 37.907 38.487 -0.124 0.000 1.020 204 N HN 0.397 nan 8.380 nan 0.000 0.509 205 F N -2.051 117.810 119.950 -0.150 0.000 2.973 205 F HA -0.273 4.254 4.527 0.001 0.000 0.299 205 F C -0.842 174.703 175.800 -0.424 0.000 0.737 205 F CA 0.612 58.471 58.000 -0.235 0.000 1.151 205 F CB -2.571 36.215 39.000 -0.358 0.000 1.440 205 F HN 0.087 nan 8.300 nan 0.000 0.367 206 Y N -0.978 119.367 120.300 0.074 0.000 2.504 206 Y HA 0.692 5.242 4.550 0.001 0.000 0.344 206 Y C -0.129 175.792 175.900 0.034 0.000 1.023 206 Y CA -1.416 56.715 58.100 0.050 0.000 1.020 206 Y CB 2.029 40.514 38.460 0.042 0.000 1.282 206 Y HN 0.009 nan 8.280 nan 0.000 0.454 207 A N 4.607 127.515 122.820 0.146 0.000 2.802 207 A HA 0.722 5.042 4.320 0.001 0.000 0.344 207 A C 0.413 177.956 177.584 -0.068 0.000 1.215 207 A CA -0.242 51.830 52.037 0.057 0.000 0.821 207 A CB -0.784 18.220 19.000 0.006 0.000 1.099 207 A HN 0.898 nan 8.150 nan 0.000 0.479 208 I N -0.247 120.244 120.570 -0.131 0.000 4.898 208 I HA -0.450 3.721 4.170 0.001 0.000 0.038 208 I C 2.132 178.048 176.117 -0.335 0.000 0.635 208 I CA 2.059 63.138 61.300 -0.368 0.000 0.263 208 I CB -1.192 36.511 38.000 -0.495 0.000 0.350 208 I HN 0.750 nan 8.210 nan 0.000 0.150 209 S N 0.644 116.035 115.700 -0.514 0.000 2.505 209 S HA 0.298 4.769 4.470 0.001 0.000 0.216 209 S C 0.306 174.674 174.600 -0.387 0.000 1.018 209 S CA -0.055 57.540 58.200 -1.008 0.000 0.911 209 S CB 0.351 62.954 63.200 -0.995 0.000 0.818 209 S HN 0.273 nan 8.310 nan 0.000 0.497 210 V N 4.946 124.750 119.914 -0.184 0.000 2.446 210 V HA 0.218 4.339 4.120 0.001 0.000 0.276 210 V C 0.042 176.133 176.094 -0.004 0.000 1.030 210 V CA -0.511 61.732 62.300 -0.095 0.000 1.033 210 V CB -0.293 31.485 31.823 -0.075 0.000 0.993 210 V HN 0.606 nan 8.190 nan 0.000 0.477 211 D N 3.330 123.716 120.400 -0.023 0.000 2.358 211 D HA 0.015 4.656 4.640 0.001 0.000 0.244 211 D C 0.937 177.231 176.300 -0.009 0.000 1.163 211 D CA -0.493 53.427 54.000 -0.132 0.000 0.945 211 D CB 0.561 41.288 40.800 -0.121 0.000 1.152 211 D HN 0.403 nan 8.370 nan 0.000 0.451 212 Y N 0.645 120.871 120.300 -0.124 0.000 2.139 212 Y HA -0.325 4.226 4.550 0.001 0.000 0.282 212 Y C 2.331 178.241 175.900 0.018 0.000 1.179 212 Y CA 2.251 60.339 58.100 -0.019 0.000 1.161 212 Y CB -0.136 38.369 38.460 0.076 0.000 0.970 212 Y HN 0.360 nan 8.280 nan 0.000 0.511 213 R N -0.286 120.288 120.500 0.124 0.000 2.127 213 R HA -0.172 4.169 4.340 0.001 0.000 0.238 213 R C 1.353 177.588 176.300 -0.109 0.000 1.134 213 R CA 2.162 58.283 56.100 0.034 0.000 0.975 213 R CB -0.778 29.584 30.300 0.103 0.000 0.865 213 R HN 0.539 nan 8.270 nan 0.000 0.447 214 H N -1.774 117.241 119.070 -0.091 0.000 2.551 214 H HA 0.210 4.766 4.556 0.001 0.000 0.271 214 H C 1.279 176.526 175.328 -0.134 0.000 0.984 214 H CA 0.367 56.364 56.048 -0.085 0.000 1.164 214 H CB 0.557 30.287 29.762 -0.052 0.000 1.437 214 H HN 0.137 nan 8.280 nan 0.000 0.550 215 Q N 0.057 119.781 119.800 -0.127 0.000 2.134 215 Q HA 0.101 4.442 4.340 0.001 0.000 0.195 215 Q C 0.392 176.227 176.000 -0.276 0.000 0.958 215 Q CA 1.029 56.706 55.803 -0.211 0.000 0.840 215 Q CB 0.825 29.395 28.738 -0.280 0.000 0.918 215 Q HN 0.286 nan 8.270 nan 0.000 0.467 216 T N -1.791 112.513 114.554 -0.417 0.000 2.853 216 T HA 0.188 4.538 4.350 0.001 0.000 0.311 216 T C -0.570 173.986 174.700 -0.240 0.000 1.307 216 T CA -0.617 61.297 62.100 -0.310 0.000 1.019 216 T CB 0.808 69.477 68.868 -0.331 0.000 1.264 216 T HN 0.375 nan 8.240 nan 0.000 0.497 217 H N 1.811 120.775 119.070 -0.176 0.000 2.563 217 H HA 0.250 4.806 4.556 0.001 0.000 0.264 217 H C 0.836 176.149 175.328 -0.025 0.000 0.957 217 H CA 0.674 56.662 56.048 -0.101 0.000 1.173 217 H CB 0.168 29.879 29.762 -0.086 0.000 1.420 217 H HN 0.622 nan 8.280 nan 0.000 0.551 218 S N 2.373 118.073 115.700 0.000 0.000 2.533 218 S HA 0.062 4.532 4.470 0.001 0.000 0.282 218 S C -1.282 173.384 174.600 0.110 0.000 1.304 218 S CA -1.101 57.127 58.200 0.047 0.000 1.063 218 S CB 1.614 64.871 63.200 0.095 0.000 0.881 218 S HN 0.219 nan 8.310 nan 0.000 0.493 219 P HA -0.062 nan 4.420 nan 0.000 0.218 219 P C 0.737 178.149 177.300 0.187 0.000 1.148 219 P CA 1.473 64.644 63.100 0.119 0.000 0.822 219 P CB -0.285 31.446 31.700 0.051 0.000 0.784 220 T N -4.991 109.685 114.554 0.203 0.000 2.841 220 T HA 0.483 4.833 4.350 0.001 0.000 0.296 220 T C 0.880 175.730 174.700 0.250 0.000 1.166 220 T CA -0.765 61.440 62.100 0.175 0.000 1.007 220 T CB 1.011 69.959 68.868 0.133 0.000 1.253 220 T HN -0.213 nan 8.240 nan 0.000 0.511 221 I N 0.843 121.541 120.570 0.213 0.000 2.584 221 I HA 0.110 4.280 4.170 0.001 0.000 0.255 221 I C 2.899 179.175 176.117 0.264 0.000 1.145 221 I CA 0.894 62.333 61.300 0.231 0.000 1.462 221 I CB -0.467 37.651 38.000 0.198 0.000 1.102 221 I HN 0.894 nan 8.210 nan 0.000 0.433 222 A N 0.581 123.532 122.820 0.219 0.000 1.940 222 A HA -0.248 4.072 4.320 0.001 0.000 0.219 222 A C 1.859 179.648 177.584 0.341 0.000 1.176 222 A CA 1.943 54.103 52.037 0.206 0.000 0.631 222 A CB -0.534 18.531 19.000 0.109 0.000 0.814 222 A HN 0.334 nan 8.150 nan 0.000 0.446 223 D N -0.141 120.472 120.400 0.354 0.000 2.263 223 D HA -0.114 4.527 4.640 0.001 0.000 0.208 223 D C 1.705 178.182 176.300 0.295 0.000 0.971 223 D CA 1.097 55.310 54.000 0.355 0.000 0.867 223 D CB -0.231 40.717 40.800 0.246 0.000 0.929 223 D HN 0.538 nan 8.370 nan 0.000 0.492 224 K N 0.655 121.230 120.400 0.292 0.000 2.280 224 K HA -0.018 4.303 4.320 0.001 0.000 0.202 224 K C 2.054 178.782 176.600 0.214 0.000 1.047 224 K CA 0.758 57.204 56.287 0.265 0.000 0.942 224 K CB 0.018 32.777 32.500 0.431 0.000 0.739 224 K HN 0.017 nan 8.250 nan 0.000 0.457 225 A N 1.422 124.437 122.820 0.325 0.000 1.986 225 A HA -0.220 4.101 4.320 0.001 0.000 0.220 225 A C 1.609 179.307 177.584 0.190 0.000 1.171 225 A CA 1.399 53.636 52.037 0.334 0.000 0.640 225 A CB -0.678 18.469 19.000 0.245 0.000 0.811 225 A HN 0.304 nan 8.150 nan 0.000 0.451 226 H N -0.439 118.724 119.070 0.155 0.000 2.457 226 H HA -0.080 4.476 4.556 0.001 0.000 0.297 226 H C 2.338 177.601 175.328 -0.108 0.000 1.092 226 H CA 1.280 57.312 56.048 -0.027 0.000 1.309 226 H CB -0.362 29.290 29.762 -0.184 0.000 1.382 226 H HN 0.551 nan 8.280 nan 0.000 0.535 227 A N 0.084 122.806 122.820 -0.163 0.000 2.168 227 A HA -0.038 4.282 4.320 0.001 0.000 0.215 227 A C 1.189 178.500 177.584 -0.456 0.000 1.152 227 A CA 0.729 52.550 52.037 -0.360 0.000 0.716 227 A CB -0.467 18.235 19.000 -0.496 0.000 0.794 227 A HN 0.218 nan 8.150 nan 0.000 0.465 228 F N -1.814 118.171 119.950 0.059 0.000 2.728 228 F HA 0.393 4.921 4.527 0.001 0.000 0.314 228 F C 1.638 177.443 175.800 0.008 0.000 1.094 228 F CA -0.233 57.751 58.000 -0.027 0.000 1.217 228 F CB -0.155 38.774 39.000 -0.118 0.000 1.056 228 F HN 0.233 nan 8.300 nan 0.000 0.577 229 G N 2.262 111.170 108.800 0.181 0.000 2.221 229 G HA2 -0.294 3.667 3.960 0.001 0.000 0.265 229 G HA3 -0.294 3.667 3.960 0.001 0.000 0.265 229 G C 0.158 175.148 174.900 0.149 0.000 1.041 229 G CA 0.546 45.737 45.100 0.151 0.000 0.807 229 G HN 0.545 nan 8.290 nan 0.000 0.502 230 I N -2.937 117.741 120.570 0.180 0.000 2.910 230 I HA 0.833 5.003 4.170 0.001 0.000 0.310 230 I C -2.158 174.002 176.117 0.072 0.000 1.043 230 I CA -3.303 58.070 61.300 0.122 0.000 1.053 230 I CB 2.139 40.209 38.000 0.117 0.000 1.242 230 I HN -0.091 nan 8.210 nan 0.000 0.452 231 P HA 0.239 nan 4.420 nan 0.000 0.271 231 P C -0.459 176.504 177.300 -0.560 0.000 1.216 231 P CA 0.147 63.058 63.100 -0.316 0.000 0.776 231 P CB 1.049 32.610 31.700 -0.232 0.000 0.881 232 G N 1.789 109.843 108.800 -1.243 0.000 2.513 232 G HA2 0.599 4.560 3.960 0.001 0.000 0.317 232 G HA3 0.599 4.560 3.960 0.001 0.000 0.317 232 G C -1.871 172.285 174.900 -1.239 0.000 1.277 232 G CA -0.407 44.080 45.100 -1.022 0.000 0.955 232 G HN 0.329 nan 8.290 nan 0.000 0.484 233 Y N 0.685 120.813 120.300 -0.286 0.000 2.425 233 Y HA 0.538 5.088 4.550 0.001 0.000 0.344 233 Y C -0.319 175.523 175.900 -0.097 0.000 0.969 233 Y CA -1.055 56.928 58.100 -0.196 0.000 1.052 233 Y CB 2.678 41.043 38.460 -0.159 0.000 1.215 233 Y HN 0.465 nan 8.280 nan 0.000 0.451 234 L N 4.534 125.806 121.223 0.081 0.000 2.276 234 L HA 0.756 5.096 4.340 0.001 0.000 0.286 234 L C -1.235 175.669 176.870 0.057 0.000 1.024 234 L CA -0.532 54.351 54.840 0.072 0.000 0.826 234 L CB 0.623 42.734 42.059 0.085 0.000 1.211 234 L HN 0.467 nan 8.230 nan 0.000 0.422 235 V N 3.016 122.946 119.914 0.028 0.000 2.864 235 V HA 0.395 4.515 4.120 0.001 0.000 0.314 235 V C -0.575 175.533 176.094 0.023 0.000 1.073 235 V CA -0.930 61.365 62.300 -0.007 0.000 0.956 235 V CB 1.978 33.757 31.823 -0.074 0.000 1.023 235 V HN 0.640 nan 8.190 nan 0.000 0.435 236 D N 2.481 122.900 120.400 0.030 0.000 2.359 236 D HA 0.177 4.818 4.640 0.001 0.000 0.250 236 D C 1.273 177.601 176.300 0.047 0.000 1.264 236 D CA 0.327 54.370 54.000 0.071 0.000 0.911 236 D CB 1.291 42.129 40.800 0.064 0.000 1.056 236 D HN 0.718 nan 8.370 nan 0.000 0.499 237 G N 3.508 112.338 108.800 0.050 0.000 2.708 237 G HA2 -0.155 3.805 3.960 0.001 0.000 0.210 237 G HA3 -0.155 3.805 3.960 0.001 0.000 0.210 237 G C 1.132 176.047 174.900 0.026 0.000 1.141 237 G CA 0.197 45.298 45.100 0.001 0.000 0.788 237 G HN 0.458 nan 8.290 nan 0.000 0.531 238 M N 0.496 120.148 119.600 0.086 0.000 2.428 238 M HA 0.201 4.682 4.480 0.001 0.000 0.239 238 M C -0.122 176.215 176.300 0.061 0.000 1.121 238 M CA -0.074 55.286 55.300 0.099 0.000 1.019 238 M CB 0.240 32.943 32.600 0.172 0.000 1.485 238 M HN 0.013 nan 8.290 nan 0.000 0.484 239 D N 1.450 121.867 120.400 0.029 0.000 2.454 239 D HA 0.122 4.762 4.640 0.001 0.000 0.225 239 D C 0.852 177.119 176.300 -0.055 0.000 1.081 239 D CA -0.133 53.866 54.000 -0.002 0.000 0.864 239 D CB 1.955 42.760 40.800 0.009 0.000 1.040 239 D HN -0.083 nan 8.370 nan 0.000 0.517 240 V N 5.109 124.937 119.914 -0.144 0.000 2.490 240 V HA -0.192 3.928 4.120 0.001 0.000 0.250 240 V C 2.101 178.089 176.094 -0.177 0.000 1.061 240 V CA 1.555 63.720 62.300 -0.225 0.000 1.064 240 V CB -0.197 31.348 31.823 -0.464 0.000 0.670 240 V HN 0.604 nan 8.190 nan 0.000 0.461 241 L N -0.289 120.838 121.223 -0.160 0.000 2.072 241 L HA -0.015 4.326 4.340 0.001 0.000 0.205 241 L C 2.775 179.820 176.870 0.292 0.000 1.079 241 L CA 1.425 56.325 54.840 0.099 0.000 0.752 241 L CB -0.863 41.304 42.059 0.181 0.000 0.906 241 L HN 0.401 nan 8.230 nan 0.000 0.436 242 A N -0.458 122.442 122.820 0.134 0.000 1.902 242 A HA -0.178 4.142 4.320 0.001 0.000 0.217 242 A C 2.507 180.075 177.584 -0.027 0.000 1.181 242 A CA 2.043 54.121 52.037 0.067 0.000 0.623 242 A CB -0.564 18.429 19.000 -0.012 0.000 0.818 242 A HN 0.358 nan 8.150 nan 0.000 0.443 243 S N -1.628 114.059 115.700 -0.023 0.000 2.368 243 S HA -0.153 4.318 4.470 0.001 0.000 0.225 243 S C 1.848 176.421 174.600 -0.044 0.000 1.030 243 S CA 1.476 59.643 58.200 -0.056 0.000 0.999 243 S CB -0.566 62.610 63.200 -0.039 0.000 0.844 243 S HN 0.712 nan 8.310 nan 0.000 0.459 244 Y N 1.219 121.449 120.300 -0.116 0.000 2.114 244 Y HA -0.225 4.325 4.550 0.001 0.000 0.284 244 Y C 2.026 177.834 175.900 -0.153 0.000 1.143 244 Y CA 1.424 59.425 58.100 -0.165 0.000 1.135 244 Y CB -0.760 37.535 38.460 -0.275 0.000 0.980 244 Y HN 0.201 nan 8.280 nan 0.000 0.499 245 Y N -0.624 119.619 120.300 -0.096 0.000 2.181 245 Y HA -0.210 4.341 4.550 0.001 0.000 0.288 245 Y C 2.633 178.406 175.900 -0.213 0.000 1.146 245 Y CA 1.787 59.824 58.100 -0.104 0.000 1.164 245 Y CB -0.929 37.754 38.460 0.372 0.000 0.982 245 Y HN 0.006 nan 8.280 nan 0.000 0.515 246 V N -1.212 118.512 119.914 -0.316 0.000 2.307 246 V HA -0.254 3.866 4.120 0.001 0.000 0.245 246 V C 2.226 178.096 176.094 -0.374 0.000 1.045 246 V CA 1.599 63.549 62.300 -0.583 0.000 1.024 246 V CB -0.895 30.496 31.823 -0.719 0.000 0.651 246 V HN 0.216 nan 8.190 nan 0.000 0.449 247 V N 0.138 119.880 119.914 -0.286 0.000 2.295 247 V HA -0.278 3.843 4.120 0.001 0.000 0.246 247 V C 2.458 178.419 176.094 -0.221 0.000 1.049 247 V CA 2.325 64.493 62.300 -0.220 0.000 1.024 247 V CB -0.712 31.014 31.823 -0.162 0.000 0.648 247 V HN 0.549 nan 8.190 nan 0.000 0.447 248 K N 0.853 121.062 120.400 -0.318 0.000 2.044 248 K HA -0.261 4.060 4.320 0.001 0.000 0.210 248 K C 2.159 178.667 176.600 -0.154 0.000 1.049 248 K CA 2.243 58.345 56.287 -0.309 0.000 0.927 248 K CB -0.407 31.740 32.500 -0.589 0.000 0.713 248 K HN 0.558 nan 8.250 nan 0.000 0.443 249 E N -0.724 119.411 120.200 -0.108 0.000 2.077 249 E HA -0.195 4.155 4.350 0.001 0.000 0.193 249 E C 1.742 178.301 176.600 -0.069 0.000 0.989 249 E CA 1.129 57.504 56.400 -0.041 0.000 0.800 249 E CB -0.220 29.512 29.700 0.052 0.000 0.746 249 E HN 0.441 nan 8.360 nan 0.000 0.452 250 A N 0.384 123.128 122.820 -0.126 0.000 1.930 250 A HA -0.107 4.213 4.320 0.001 0.000 0.217 250 A C 2.372 179.923 177.584 -0.056 0.000 1.175 250 A CA 1.225 53.215 52.037 -0.078 0.000 0.627 250 A CB -0.516 18.432 19.000 -0.088 0.000 0.815 250 A HN 0.224 nan 8.150 nan 0.000 0.443 251 V N 0.326 120.196 119.914 -0.073 0.000 2.343 251 V HA -0.272 3.848 4.120 0.001 0.000 0.247 251 V C 2.401 178.478 176.094 -0.028 0.000 1.051 251 V CA 2.303 64.570 62.300 -0.054 0.000 1.036 251 V CB -0.824 30.969 31.823 -0.050 0.000 0.654 251 V HN 0.650 nan 8.190 nan 0.000 0.451 252 E N -0.124 120.062 120.200 -0.024 0.000 2.106 252 E HA -0.249 4.102 4.350 0.001 0.000 0.192 252 E C 2.387 178.986 176.600 -0.001 0.000 0.984 252 E CA 1.170 57.568 56.400 -0.003 0.000 0.806 252 E CB -0.225 29.474 29.700 -0.001 0.000 0.750 252 E HN 0.494 nan 8.360 nan 0.000 0.458 253 R N 1.062 121.559 120.500 -0.005 0.000 2.073 253 R HA -0.147 4.193 4.340 0.001 0.000 0.234 253 R C 2.269 178.565 176.300 -0.006 0.000 1.134 253 R CA 1.435 57.537 56.100 0.004 0.000 0.952 253 R CB -0.212 30.101 30.300 0.021 0.000 0.850 253 R HN 0.141 nan 8.270 nan 0.000 0.433 254 A N 1.045 123.853 122.820 -0.021 0.000 1.873 254 A HA -0.157 4.164 4.320 0.001 0.000 0.215 254 A C 2.245 179.809 177.584 -0.034 0.000 1.186 254 A CA 1.396 53.408 52.037 -0.042 0.000 0.616 254 A CB -0.606 18.351 19.000 -0.071 0.000 0.823 254 A HN 0.397 nan 8.150 nan 0.000 0.442 255 R N 0.079 120.570 120.500 -0.016 0.000 2.127 255 R HA -0.148 4.192 4.340 0.001 0.000 0.238 255 R C 1.995 178.300 176.300 0.009 0.000 1.134 255 R CA 1.633 57.737 56.100 0.007 0.000 0.975 255 R CB -0.171 30.152 30.300 0.039 0.000 0.865 255 R HN 0.678 nan 8.270 nan 0.000 0.447 256 R N -0.985 119.518 120.500 0.005 0.000 2.391 256 R HA 0.125 4.466 4.340 0.001 0.000 0.249 256 R C 0.585 176.883 176.300 -0.003 0.000 0.957 256 R CA 0.713 56.816 56.100 0.006 0.000 1.093 256 R CB 0.219 30.524 30.300 0.009 0.000 1.156 256 R HN 0.205 nan 8.270 nan 0.000 0.526 257 G N 1.103 109.894 108.800 -0.014 0.000 2.143 257 G HA2 -0.298 3.663 3.960 0.001 0.000 0.248 257 G HA3 -0.298 3.663 3.960 0.001 0.000 0.248 257 G C 0.178 175.066 174.900 -0.021 0.000 0.991 257 G CA 0.403 45.489 45.100 -0.024 0.000 0.689 257 G HN 0.569 nan 8.290 nan 0.000 0.522 258 E N 0.007 120.199 120.200 -0.014 0.000 2.445 258 E HA 0.434 4.784 4.350 0.001 0.000 0.189 258 E C 1.524 178.120 176.600 -0.007 0.000 1.069 258 E CA 0.508 56.906 56.400 -0.004 0.000 0.871 258 E CB 0.130 29.835 29.700 0.009 0.000 0.991 258 E HN 1.527 nan 8.360 nan 0.000 0.481 259 G N 2.070 110.854 108.800 -0.027 0.000 2.728 259 G HA2 -0.192 3.768 3.960 0.001 0.000 0.294 259 G HA3 -0.192 3.768 3.960 0.001 0.000 0.294 259 G C -2.797 172.087 174.900 -0.027 0.000 1.342 259 G CA -0.837 44.242 45.100 -0.035 0.000 0.866 259 G HN -0.007 nan 8.290 nan 0.000 0.534 260 P HA 0.589 nan 4.420 nan 0.000 0.278 260 P C -0.461 176.877 177.300 0.065 0.000 1.266 260 P CA -0.196 62.909 63.100 0.009 0.000 0.807 260 P CB 1.618 33.360 31.700 0.070 0.000 1.094 261 S N -0.393 115.369 115.700 0.103 0.000 2.588 261 S HA 0.521 4.992 4.470 0.001 0.000 0.275 261 S C -1.107 173.624 174.600 0.218 0.000 1.130 261 S CA -0.452 57.843 58.200 0.157 0.000 0.855 261 S CB 1.175 64.498 63.200 0.206 0.000 1.116 261 S HN 0.411 nan 8.310 nan 0.000 0.472 262 L N 2.805 124.156 121.223 0.214 0.000 2.319 262 L HA 0.707 5.047 4.340 0.001 0.000 0.281 262 L C -1.462 175.552 176.870 0.240 0.000 1.005 262 L CA -0.409 54.598 54.840 0.279 0.000 0.828 262 L CB 1.058 43.296 42.059 0.298 0.000 1.227 262 L HN 0.453 nan 8.230 nan 0.000 0.415 263 V N 4.862 124.907 119.914 0.219 0.000 2.384 263 V HA 0.433 4.553 4.120 0.001 0.000 0.287 263 V C -0.091 176.057 176.094 0.089 0.000 1.020 263 V CA -0.661 61.730 62.300 0.152 0.000 0.850 263 V CB 1.500 33.352 31.823 0.049 0.000 0.987 263 V HN 0.779 nan 8.190 nan 0.000 0.436 264 E N 5.347 125.595 120.200 0.079 0.000 2.109 264 E HA 0.457 4.808 4.350 0.001 0.000 0.278 264 E C -1.252 175.334 176.600 -0.024 0.000 0.954 264 E CA -0.570 55.848 56.400 0.030 0.000 0.779 264 E CB 1.006 30.739 29.700 0.056 0.000 1.093 264 E HN 0.647 nan 8.360 nan 0.000 0.401 265 L N 5.678 126.853 121.223 -0.079 0.000 2.264 265 L HA 0.426 4.767 4.340 0.001 0.000 0.287 265 L C 0.231 177.021 176.870 -0.133 0.000 1.039 265 L CA -0.600 54.185 54.840 -0.092 0.000 0.829 265 L CB 0.881 42.874 42.059 -0.111 0.000 1.211 265 L HN 0.420 nan 8.230 nan 0.000 0.427 266 R N 2.841 123.304 120.500 -0.062 0.000 2.296 266 R HA 0.346 4.686 4.340 0.001 0.000 0.323 266 R C -0.050 176.254 176.300 0.007 0.000 1.067 266 R CA -0.124 55.944 56.100 -0.053 0.000 0.946 266 R CB 0.799 31.218 30.300 0.199 0.000 0.991 266 R HN 0.550 nan 8.270 nan 0.000 0.448 267 V N 0.578 120.387 119.914 -0.174 0.000 3.119 267 V HA 0.644 4.764 4.120 0.001 0.000 0.309 267 V C -1.403 174.599 176.094 -0.154 0.000 1.304 267 V CA -1.000 61.217 62.300 -0.138 0.000 1.057 267 V CB 1.742 33.309 31.823 -0.426 0.000 1.150 267 V HN 0.625 nan 8.190 nan 0.000 0.474 268 Y N -0.112 120.006 120.300 -0.304 0.000 2.513 268 Y HA 0.623 5.173 4.550 0.001 0.000 0.340 268 Y C -0.172 175.585 175.900 -0.238 0.000 1.055 268 Y CA -0.776 57.139 58.100 -0.308 0.000 1.020 268 Y CB 2.018 40.287 38.460 -0.319 0.000 1.301 268 Y HN 0.829 nan 8.280 nan 0.000 0.453 269 R N 4.859 125.108 120.500 -0.419 0.000 2.296 269 R HA 0.139 4.479 4.340 0.001 0.000 0.327 269 R C -0.323 175.992 176.300 0.024 0.000 1.137 269 R CA -0.018 56.011 56.100 -0.117 0.000 1.020 269 R CB 0.085 30.351 30.300 -0.058 0.000 1.110 269 R HN 0.844 nan 8.270 nan 0.000 0.499 270 Y N 1.894 122.341 120.300 0.245 0.000 2.224 270 Y HA -0.026 4.525 4.550 0.001 0.000 0.289 270 Y C 1.754 177.739 175.900 0.141 0.000 1.146 270 Y CA 1.154 59.413 58.100 0.266 0.000 1.182 270 Y CB -0.403 38.188 38.460 0.217 0.000 0.983 270 Y HN 0.585 nan 8.280 nan 0.000 0.524 271 G N 0.100 109.037 108.800 0.227 0.000 2.543 271 G HA2 0.388 4.348 3.960 0.001 0.000 0.290 271 G HA3 0.388 4.348 3.960 0.001 0.000 0.290 271 G C -2.451 172.485 174.900 0.060 0.000 1.310 271 G CA -1.242 43.927 45.100 0.115 0.000 1.025 271 G HN -0.099 nan 8.290 nan 0.000 0.502 272 P HA 0.070 nan 4.420 nan 0.000 0.274 272 P C 0.193 177.531 177.300 0.062 0.000 1.256 272 P CA -0.122 62.997 63.100 0.032 0.000 0.795 272 P CB 1.117 32.823 31.700 0.010 0.000 1.038 273 H N 0.525 119.639 119.070 0.073 0.000 2.321 273 H HA -0.118 4.438 4.556 0.001 0.000 0.295 273 H C 0.628 175.973 175.328 0.029 0.000 1.102 273 H CA 2.334 58.436 56.048 0.090 0.000 1.266 273 H CB -0.112 29.730 29.762 0.132 0.000 1.363 273 H HN 0.556 nan 8.280 nan 0.000 0.492 274 S N -2.653 112.950 115.700 -0.161 0.000 2.672 274 S HA 0.244 4.714 4.470 0.001 0.000 0.271 274 S C 0.997 175.457 174.600 -0.233 0.000 1.171 274 S CA -0.293 57.683 58.200 -0.374 0.000 0.817 274 S CB 0.803 63.704 63.200 -0.499 0.000 1.150 274 S HN 0.384 nan 8.310 nan 0.000 0.478 275 S N -0.102 115.373 115.700 -0.374 0.000 2.547 275 S HA 0.132 4.603 4.470 0.001 0.000 0.235 275 S C 1.417 175.980 174.600 -0.062 0.000 0.980 275 S CA 0.562 58.648 58.200 -0.191 0.000 0.941 275 S CB -0.659 62.412 63.200 -0.215 0.000 0.763 275 S HN 1.333 nan 8.310 nan 0.000 0.532 276 A N 0.378 123.196 122.820 -0.004 0.000 2.348 276 A HA 0.386 4.707 4.320 0.001 0.000 0.224 276 A C 0.581 178.228 177.584 0.105 0.000 1.227 276 A CA 0.069 52.164 52.037 0.096 0.000 0.885 276 A CB -0.077 19.044 19.000 0.202 0.000 0.933 276 A HN 0.522 nan 8.150 nan 0.000 0.506 277 D N -0.991 119.470 120.400 0.101 0.000 2.442 277 D HA 0.523 5.164 4.640 0.001 0.000 0.254 277 D C -0.588 175.760 176.300 0.079 0.000 1.069 277 D CA 0.632 54.715 54.000 0.138 0.000 1.017 277 D CB 1.496 42.440 40.800 0.239 0.000 1.172 277 D HN 0.068 nan 8.370 nan 0.000 0.561 278 D N -0.827 119.621 120.400 0.079 0.000 2.346 278 D HA 0.474 5.114 4.640 0.001 0.000 0.255 278 D C 0.640 176.822 176.300 -0.197 0.000 1.276 278 D CA 0.193 54.179 54.000 -0.024 0.000 0.941 278 D CB 0.089 40.882 40.800 -0.012 0.000 1.199 278 D HN 0.478 nan 8.370 nan 0.000 0.537 279 D N 0.241 120.499 120.400 -0.237 0.000 2.116 279 D HA 0.086 4.727 4.640 0.001 0.000 0.193 279 D C 1.881 177.811 176.300 -0.618 0.000 0.998 279 D CA 1.767 55.468 54.000 -0.497 0.000 0.836 279 D CB -0.567 40.106 40.800 -0.211 0.000 0.951 279 D HN 1.080 nan 8.370 nan 0.000 0.449 280 S N -0.849 114.669 115.700 -0.304 0.000 4.117 280 S HA 0.539 5.009 4.470 0.001 0.000 0.191 280 S C 1.278 175.757 174.600 -0.203 0.000 1.308 280 S CA 0.989 59.062 58.200 -0.211 0.000 0.906 280 S CB -0.775 62.365 63.200 -0.100 0.000 1.565 280 S HN 1.049 nan 8.310 nan 0.000 0.439 281 R N 0.363 120.671 120.500 -0.320 0.000 2.371 281 R HA 0.395 4.736 4.340 0.001 0.000 0.261 281 R C 0.321 176.610 176.300 -0.019 0.000 0.768 281 R CA 0.813 56.830 56.100 -0.139 0.000 0.992 281 R CB -1.080 29.183 30.300 -0.062 0.000 1.687 281 R HN 1.368 nan 8.270 nan 0.000 0.463 282 Y N -2.731 117.569 120.300 0.001 0.000 3.101 282 Y HA 0.566 5.117 4.550 0.001 0.000 0.311 282 Y C -0.219 175.697 175.900 0.028 0.000 0.967 282 Y CA -1.024 57.083 58.100 0.013 0.000 1.233 282 Y CB -0.103 38.359 38.460 0.004 0.000 1.406 282 Y HN 0.075 nan 8.280 nan 0.000 0.577 283 R N 2.805 123.278 120.500 -0.046 0.000 2.575 283 R HA 0.496 4.836 4.340 0.001 0.000 0.293 283 R C -2.947 173.388 176.300 0.058 0.000 0.983 283 R CA -1.684 54.447 56.100 0.053 0.000 0.887 283 R CB 2.122 32.380 30.300 -0.070 0.000 1.184 283 R HN 0.003 nan 8.270 nan 0.000 0.445 284 P HA 0.113 nan 4.420 nan 0.000 0.276 284 P C -0.268 177.097 177.300 0.109 0.000 1.243 284 P CA -0.254 62.907 63.100 0.101 0.000 0.768 284 P CB 1.092 32.860 31.700 0.113 0.000 0.856 285 K N 1.850 122.295 120.400 0.076 0.000 2.218 285 K HA -0.198 4.122 4.320 0.001 0.000 0.205 285 K C 1.680 178.344 176.600 0.106 0.000 1.046 285 K CA 1.505 57.840 56.287 0.080 0.000 0.933 285 K CB 0.086 32.617 32.500 0.051 0.000 0.728 285 K HN 0.558 nan 8.250 nan 0.000 0.454 286 E N 0.689 120.952 120.200 0.104 0.000 2.028 286 E HA -0.213 4.138 4.350 0.001 0.000 0.191 286 E C 2.081 178.786 176.600 0.175 0.000 0.988 286 E CA 0.971 57.440 56.400 0.115 0.000 0.799 286 E CB 0.050 29.798 29.700 0.080 0.000 0.755 286 E HN 0.310 nan 8.360 nan 0.000 0.447 287 E N 0.469 120.786 120.200 0.194 0.000 2.058 287 E HA -0.206 4.145 4.350 0.001 0.000 0.194 287 E C 2.149 178.954 176.600 0.342 0.000 0.997 287 E CA 1.459 58.034 56.400 0.290 0.000 0.801 287 E CB 0.141 30.040 29.700 0.331 0.000 0.746 287 E HN 0.047 nan 8.360 nan 0.000 0.450 288 V N 1.233 121.316 119.914 0.282 0.000 2.261 288 V HA -0.282 3.839 4.120 0.001 0.000 0.246 288 V C 2.501 178.707 176.094 0.186 0.000 1.047 288 V CA 1.922 64.375 62.300 0.256 0.000 1.015 288 V CB -0.943 31.045 31.823 0.276 0.000 0.642 288 V HN 0.437 nan 8.190 nan 0.000 0.446 289 A N -0.424 122.489 122.820 0.155 0.000 1.933 289 A HA -0.254 4.067 4.320 0.001 0.000 0.218 289 A C 2.130 179.770 177.584 0.092 0.000 1.175 289 A CA 2.088 54.180 52.037 0.091 0.000 0.628 289 A CB -0.763 18.284 19.000 0.078 0.000 0.814 289 A HN 0.563 nan 8.150 nan 0.000 0.444 290 F N -1.027 118.925 119.950 0.004 0.000 2.134 290 F HA -0.178 4.349 4.527 0.001 0.000 0.299 290 F C 1.786 177.489 175.800 -0.162 0.000 1.097 290 F CA 1.754 59.703 58.000 -0.083 0.000 1.264 290 F CB -0.318 38.624 39.000 -0.096 0.000 1.001 290 F HN 0.359 nan 8.300 nan 0.000 0.479 291 W N 0.630 121.884 121.300 -0.077 0.000 2.678 291 W HA 0.068 4.728 4.660 0.001 0.000 0.256 291 W C 2.343 178.885 176.519 0.039 0.000 1.280 291 W CA 0.237 57.492 57.345 -0.150 0.000 1.345 291 W CB -0.298 28.862 29.460 -0.499 0.000 1.118 291 W HN -0.213 nan 8.180 nan 0.000 0.629 292 R N 0.799 121.371 120.500 0.120 0.000 2.096 292 R HA -0.111 4.229 4.340 0.001 0.000 0.235 292 R C 1.657 177.904 176.300 -0.088 0.000 1.127 292 R CA 1.127 57.155 56.100 -0.120 0.000 0.968 292 R CB -0.583 29.606 30.300 -0.184 0.000 0.861 292 R HN 0.271 nan 8.270 nan 0.000 0.440 293 K N 0.601 120.915 120.400 -0.144 0.000 2.442 293 K HA -0.095 4.226 4.320 0.001 0.000 0.198 293 K C 1.310 177.824 176.600 -0.142 0.000 1.044 293 K CA 0.924 57.108 56.287 -0.172 0.000 0.948 293 K CB 0.061 32.397 32.500 -0.274 0.000 0.762 293 K HN 0.139 nan 8.250 nan 0.000 0.472 294 K N 1.122 121.466 120.400 -0.094 0.000 2.410 294 K HA 0.020 4.341 4.320 0.001 0.000 0.200 294 K C -0.120 176.583 176.600 0.172 0.000 1.023 294 K CA -0.205 56.072 56.287 -0.017 0.000 1.149 294 K CB 0.235 32.678 32.500 -0.094 0.000 0.859 294 K HN 0.055 nan 8.250 nan 0.000 0.514 295 D N 2.917 123.449 120.400 0.220 0.000 2.581 295 D HA -0.065 4.576 4.640 0.001 0.000 0.238 295 D C -1.247 175.176 176.300 0.206 0.000 1.145 295 D CA -1.106 53.073 54.000 0.299 0.000 0.866 295 D CB 1.126 42.031 40.800 0.175 0.000 1.151 295 D HN 0.057 nan 8.370 nan 0.000 0.500 296 P HA -0.127 nan 4.420 nan 0.000 0.220 296 P C 1.853 179.270 177.300 0.194 0.000 1.148 296 P CA 0.745 63.944 63.100 0.164 0.000 0.803 296 P CB 0.385 32.159 31.700 0.123 0.000 0.782 297 I N 0.634 121.317 120.570 0.189 0.000 2.133 297 I HA -0.119 4.051 4.170 0.001 0.000 0.238 297 I C -0.399 175.871 176.117 0.256 0.000 1.074 297 I CA 1.574 63.006 61.300 0.219 0.000 1.342 297 I CB -2.092 35.979 38.000 0.119 0.000 1.053 297 I HN -0.011 nan 8.210 nan 0.000 0.404 298 P HA -0.169 nan 4.420 nan 0.000 0.217 298 P C 1.541 178.870 177.300 0.047 0.000 1.150 298 P CA 1.365 64.499 63.100 0.057 0.000 0.832 298 P CB -0.114 31.600 31.700 0.023 0.000 0.787 299 R N -1.179 119.386 120.500 0.107 0.000 2.083 299 R HA -0.172 4.168 4.340 0.001 0.000 0.237 299 R C 2.060 178.484 176.300 0.207 0.000 1.137 299 R CA 1.500 57.674 56.100 0.124 0.000 0.951 299 R CB -0.939 29.438 30.300 0.129 0.000 0.851 299 R HN 0.070 nan 8.270 nan 0.000 0.434 300 F N 1.597 121.597 119.950 0.084 0.000 2.325 300 F HA 0.010 4.538 4.527 0.001 0.000 0.299 300 F C 2.359 178.177 175.800 0.030 0.000 1.090 300 F CA 1.139 59.201 58.000 0.103 0.000 1.392 300 F CB -0.309 38.785 39.000 0.157 0.000 1.053 300 F HN -0.027 nan 8.300 nan 0.000 0.521 301 R N 0.458 120.870 120.500 -0.147 0.000 2.070 301 R HA -0.152 4.189 4.340 0.001 0.000 0.233 301 R C 2.407 178.375 176.300 -0.552 0.000 1.137 301 R CA 1.783 57.480 56.100 -0.671 0.000 0.945 301 R CB -0.276 29.615 30.300 -0.681 0.000 0.845 301 R HN 0.192 nan 8.270 nan 0.000 0.430 302 R N -0.602 119.725 120.500 -0.288 0.000 2.105 302 R HA -0.181 4.159 4.340 0.001 0.000 0.239 302 R C 2.226 178.466 176.300 -0.100 0.000 1.135 302 R CA 1.665 57.657 56.100 -0.180 0.000 0.967 302 R CB -0.517 29.738 30.300 -0.075 0.000 0.861 302 R HN 0.285 nan 8.270 nan 0.000 0.442 303 F N 1.402 121.243 119.950 -0.180 0.000 2.186 303 F HA -0.108 4.419 4.527 0.001 0.000 0.299 303 F C 1.859 177.531 175.800 -0.212 0.000 1.090 303 F CA 1.316 59.246 58.000 -0.117 0.000 1.307 303 F CB -0.013 39.003 39.000 0.026 0.000 1.019 303 F HN -0.112 nan 8.300 nan 0.000 0.489 304 L N -0.190 120.905 121.223 -0.214 0.000 2.131 304 L HA -0.126 4.214 4.340 0.001 0.000 0.206 304 L C 2.425 179.202 176.870 -0.155 0.000 1.087 304 L CA 1.459 56.151 54.840 -0.246 0.000 0.767 304 L CB -0.787 41.056 42.059 -0.360 0.000 0.917 304 L HN 0.195 nan 8.230 nan 0.000 0.441 305 E N 0.940 121.061 120.200 -0.131 0.000 2.058 305 E HA -0.243 4.107 4.350 0.001 0.000 0.194 305 E C 2.104 178.668 176.600 -0.060 0.000 0.997 305 E CA 1.273 57.677 56.400 0.007 0.000 0.801 305 E CB -0.016 29.663 29.700 -0.034 0.000 0.746 305 E HN 0.429 nan 8.360 nan 0.000 0.450 306 A N 0.469 123.204 122.820 -0.143 0.000 2.216 306 A HA -0.072 4.249 4.320 0.001 0.000 0.214 306 A C 1.698 179.168 177.584 -0.189 0.000 1.160 306 A CA 0.781 52.723 52.037 -0.159 0.000 0.725 306 A CB -0.182 18.701 19.000 -0.196 0.000 0.784 306 A HN 0.161 nan 8.150 nan 0.000 0.472 307 R N -1.777 118.599 120.500 -0.207 0.000 2.565 307 R HA 0.265 4.606 4.340 0.001 0.000 0.347 307 R C 0.895 177.113 176.300 -0.137 0.000 1.010 307 R CA 0.380 56.363 56.100 -0.194 0.000 1.126 307 R CB 0.341 30.485 30.300 -0.259 0.000 1.331 307 R HN 0.549 nan 8.270 nan 0.000 0.552 308 G N 1.484 110.223 108.800 -0.102 0.000 2.221 308 G HA2 -0.234 3.727 3.960 0.001 0.000 0.265 308 G HA3 -0.234 3.727 3.960 0.001 0.000 0.265 308 G C 0.182 175.009 174.900 -0.121 0.000 1.041 308 G CA -0.036 45.011 45.100 -0.088 0.000 0.807 308 G HN 0.173 nan 8.290 nan 0.000 0.502 309 L N -1.807 119.344 121.223 -0.120 0.000 2.857 309 L HA 0.588 4.928 4.340 0.001 0.000 0.249 309 L C 0.242 177.006 176.870 -0.176 0.000 1.172 309 L CA -0.461 54.267 54.840 -0.187 0.000 0.980 309 L CB -0.160 41.795 42.059 -0.174 0.000 1.299 309 L HN 0.498 nan 8.230 nan 0.000 0.535 310 W N 0.455 121.603 121.300 -0.254 0.000 3.296 310 W HA 0.472 5.133 4.660 0.001 0.000 0.314 310 W C -1.355 175.144 176.519 -0.033 0.000 1.238 310 W CA -0.794 56.474 57.345 -0.128 0.000 1.193 310 W CB 1.260 30.626 29.460 -0.158 0.000 1.383 310 W HN 0.158 nan 8.180 nan 0.000 0.545 311 N N 2.030 120.038 118.700 -1.153 0.000 2.745 311 N HA 0.215 4.955 4.740 0.001 0.000 0.256 311 N C 0.082 174.719 175.510 -1.456 0.000 1.268 311 N CA -0.614 51.762 53.050 -1.123 0.000 0.887 311 N CB 1.474 39.709 38.487 -0.421 0.000 1.575 311 N HN 0.327 nan 8.380 nan 0.000 0.496 312 E N 0.721 120.347 120.200 -0.957 0.000 2.065 312 E HA -0.306 4.044 4.350 0.001 0.000 0.201 312 E C 1.011 177.449 176.600 -0.269 0.000 1.016 312 E CA 1.868 58.003 56.400 -0.442 0.000 0.818 312 E CB -0.172 29.451 29.700 -0.127 0.000 0.749 312 E HN 0.875 nan 8.360 nan 0.000 0.453 313 E N -0.475 119.602 120.200 -0.206 0.000 2.070 313 E HA -0.220 4.131 4.350 0.001 0.000 0.197 313 E C 1.974 178.538 176.600 -0.060 0.000 1.004 313 E CA 1.549 57.888 56.400 -0.100 0.000 0.805 313 E CB -0.349 29.309 29.700 -0.069 0.000 0.744 313 E HN 0.303 nan 8.360 nan 0.000 0.451 314 W N 1.919 123.047 121.300 -0.286 0.000 2.358 314 W HA -0.192 4.468 4.660 0.001 0.000 0.303 314 W C 2.127 178.570 176.519 -0.126 0.000 1.208 314 W CA 2.037 59.255 57.345 -0.213 0.000 1.274 314 W CB -0.434 28.861 29.460 -0.275 0.000 1.138 314 W HN 0.208 nan 8.180 nan 0.000 0.515 315 E N 0.286 120.329 120.200 -0.262 0.000 2.023 315 E HA -0.285 4.065 4.350 0.001 0.000 0.196 315 E C 1.993 178.490 176.600 -0.171 0.000 1.003 315 E CA 2.477 58.768 56.400 -0.181 0.000 0.809 315 E CB -0.431 29.379 29.700 0.183 0.000 0.755 315 E HN 0.425 nan 8.360 nan 0.000 0.449 316 E N 0.187 120.328 120.200 -0.099 0.000 2.097 316 E HA -0.229 4.122 4.350 0.001 0.000 0.196 316 E C 1.911 178.451 176.600 -0.100 0.000 1.000 316 E CA 1.359 57.717 56.400 -0.070 0.000 0.804 316 E CB -0.159 29.516 29.700 -0.042 0.000 0.740 316 E HN 0.368 nan 8.360 nan 0.000 0.454 317 D N 0.223 120.547 120.400 -0.125 0.000 2.117 317 D HA -0.128 4.513 4.640 0.001 0.000 0.197 317 D C 2.056 178.262 176.300 -0.158 0.000 0.987 317 D CA 0.818 54.753 54.000 -0.108 0.000 0.829 317 D CB -0.222 40.543 40.800 -0.059 0.000 0.961 317 D HN 0.019 nan 8.370 nan 0.000 0.460 318 V N 0.683 120.413 119.914 -0.306 0.000 2.307 318 V HA -0.195 3.926 4.120 0.001 0.000 0.245 318 V C 2.436 178.421 176.094 -0.182 0.000 1.045 318 V CA 1.490 63.606 62.300 -0.308 0.000 1.024 318 V CB -0.371 31.113 31.823 -0.565 0.000 0.651 318 V HN 0.117 nan 8.190 nan 0.000 0.449 319 R N -0.100 120.306 120.500 -0.158 0.000 2.091 319 R HA -0.225 4.116 4.340 0.001 0.000 0.238 319 R C 2.395 178.654 176.300 -0.069 0.000 1.136 319 R CA 1.823 57.865 56.100 -0.096 0.000 0.959 319 R CB -0.331 29.932 30.300 -0.063 0.000 0.856 319 R HN 0.466 nan 8.270 nan 0.000 0.437 320 E N 1.165 121.327 120.200 -0.065 0.000 2.077 320 E HA -0.178 4.172 4.350 0.001 0.000 0.193 320 E C 1.559 178.135 176.600 -0.040 0.000 0.989 320 E CA 1.547 57.920 56.400 -0.044 0.000 0.800 320 E CB 0.040 29.717 29.700 -0.038 0.000 0.746 320 E HN 0.332 nan 8.360 nan 0.000 0.452 321 E N -0.162 120.008 120.200 -0.049 0.000 2.110 321 E HA -0.151 4.200 4.350 0.001 0.000 0.193 321 E C 2.249 178.828 176.600 -0.035 0.000 0.988 321 E CA 1.106 57.485 56.400 -0.036 0.000 0.804 321 E CB -0.146 29.534 29.700 -0.034 0.000 0.745 321 E HN 0.378 nan 8.360 nan 0.000 0.458 322 I N 1.517 122.058 120.570 -0.048 0.000 2.163 322 I HA -0.265 3.905 4.170 0.001 0.000 0.240 322 I C 2.702 178.799 176.117 -0.033 0.000 1.081 322 I CA 1.240 62.514 61.300 -0.044 0.000 1.353 322 I CB -0.322 37.642 38.000 -0.060 0.000 1.054 322 I HN 0.080 nan 8.210 nan 0.000 0.407 323 R N 1.746 122.227 120.500 -0.032 0.000 2.152 323 R HA -0.074 4.267 4.340 0.001 0.000 0.232 323 R C 2.174 178.464 176.300 -0.018 0.000 1.117 323 R CA 1.309 57.395 56.100 -0.023 0.000 0.981 323 R CB -0.697 29.591 30.300 -0.021 0.000 0.870 323 R HN 0.284 nan 8.270 nan 0.000 0.451 324 A N 1.980 124.789 122.820 -0.019 0.000 1.897 324 A HA -0.132 4.189 4.320 0.001 0.000 0.215 324 A C 1.945 179.521 177.584 -0.012 0.000 1.181 324 A CA 1.299 53.328 52.037 -0.014 0.000 0.620 324 A CB -0.292 18.700 19.000 -0.014 0.000 0.821 324 A HN 0.488 nan 8.150 nan 0.000 0.443 325 E N 0.096 120.288 120.200 -0.014 0.000 2.110 325 E HA -0.164 4.186 4.350 0.001 0.000 0.193 325 E C 1.933 178.527 176.600 -0.010 0.000 0.988 325 E CA 1.162 57.555 56.400 -0.012 0.000 0.804 325 E CB -0.353 29.338 29.700 -0.015 0.000 0.745 325 E HN 0.615 nan 8.360 nan 0.000 0.458 326 L N 1.117 122.334 121.223 -0.011 0.000 2.017 326 L HA -0.191 4.150 4.340 0.001 0.000 0.208 326 L C 2.486 179.355 176.870 -0.002 0.000 1.073 326 L CA 0.950 55.787 54.840 -0.005 0.000 0.745 326 L CB -0.364 41.692 42.059 -0.005 0.000 0.894 326 L HN 0.068 nan 8.230 nan 0.000 0.432 327 E N -0.044 120.153 120.200 -0.005 0.000 2.110 327 E HA -0.228 4.122 4.350 0.001 0.000 0.193 327 E C 2.190 178.786 176.600 -0.006 0.000 0.988 327 E CA 0.936 57.332 56.400 -0.006 0.000 0.804 327 E CB -0.210 29.485 29.700 -0.007 0.000 0.745 327 E HN 0.233 nan 8.360 nan 0.000 0.458 328 R N 0.725 121.221 120.500 -0.007 0.000 2.075 328 R HA -0.038 4.303 4.340 0.001 0.000 0.232 328 R C 2.263 178.559 176.300 -0.006 0.000 1.126 328 R CA 1.810 57.906 56.100 -0.007 0.000 0.963 328 R CB -1.108 29.188 30.300 -0.007 0.000 0.858 328 R HN 0.203 nan 8.270 nan 0.000 0.435 329 G N 0.687 109.484 108.800 -0.005 0.000 2.418 329 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 329 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 329 G C 1.298 176.196 174.900 -0.004 0.000 1.158 329 G CA 0.837 45.935 45.100 -0.004 0.000 0.771 329 G HN 0.358 nan 8.290 nan 0.000 0.545 330 L N 0.807 122.028 121.223 -0.003 0.000 2.046 330 L HA 0.095 4.435 4.340 0.001 0.000 0.208 330 L C 2.616 179.478 176.870 -0.012 0.000 1.077 330 L CA 2.409 57.244 54.840 -0.009 0.000 0.747 330 L CB -0.584 41.470 42.059 -0.008 0.000 0.896 330 L HN 0.254 nan 8.230 nan 0.000 0.432 331 K N -0.359 120.035 120.400 -0.010 0.000 2.032 331 K HA -0.218 4.103 4.320 0.001 0.000 0.209 331 K C 1.894 178.487 176.600 -0.011 0.000 1.048 331 K CA 2.023 58.303 56.287 -0.011 0.000 0.927 331 K CB -0.165 32.330 32.500 -0.009 0.000 0.712 331 K HN 0.532 nan 8.250 nan 0.000 0.441 332 E N 0.024 120.219 120.200 -0.009 0.000 2.110 332 E HA -0.182 4.169 4.350 0.001 0.000 0.193 332 E C 2.020 178.616 176.600 -0.007 0.000 0.988 332 E CA 0.964 57.360 56.400 -0.007 0.000 0.804 332 E CB -0.140 29.557 29.700 -0.005 0.000 0.745 332 E HN 0.430 nan 8.360 nan 0.000 0.458 333 A N 1.780 124.594 122.820 -0.009 0.000 1.902 333 A HA -0.245 4.075 4.320 0.001 0.000 0.217 333 A C 1.978 179.551 177.584 -0.017 0.000 1.181 333 A CA 1.517 53.547 52.037 -0.011 0.000 0.623 333 A CB -0.364 18.627 19.000 -0.015 0.000 0.818 333 A HN 0.174 nan 8.150 nan 0.000 0.443 334 E N 0.018 120.206 120.200 -0.021 0.000 2.046 334 E HA -0.194 4.156 4.350 0.001 0.000 0.190 334 E C 1.868 178.453 176.600 -0.025 0.000 0.982 334 E CA 1.191 57.576 56.400 -0.025 0.000 0.800 334 E CB -0.327 29.358 29.700 -0.025 0.000 0.756 334 E HN 0.929 nan 8.360 nan 0.000 0.449 335 E N 1.114 121.302 120.200 -0.019 0.000 2.510 335 E HA -0.079 4.272 4.350 0.001 0.000 0.202 335 E C 1.781 178.369 176.600 -0.019 0.000 1.072 335 E CA 0.641 57.030 56.400 -0.019 0.000 0.883 335 E CB -0.079 29.613 29.700 -0.014 0.000 0.818 335 E HN 0.164 nan 8.360 nan 0.000 0.548 336 A N 1.869 124.678 122.820 -0.018 0.000 1.969 336 A HA 0.216 4.536 4.320 0.001 0.000 0.218 336 A C 1.377 178.941 177.584 -0.034 0.000 1.169 336 A CA 1.068 53.096 52.037 -0.014 0.000 0.635 336 A CB -0.701 18.297 19.000 -0.004 0.000 0.810 336 A HN 0.569 nan 8.150 nan 0.000 0.445 337 G N -2.054 106.719 108.800 -0.046 0.000 2.690 337 G HA2 0.061 4.021 3.960 0.001 0.000 0.686 337 G HA3 0.061 4.021 3.960 0.001 0.000 0.686 337 G C -3.220 171.621 174.900 -0.098 0.000 1.277 337 G CA -0.532 44.526 45.100 -0.070 0.000 0.799 337 G HN 0.246 nan 8.290 nan 0.000 0.613 338 P HA 0.380 nan 4.420 nan 0.000 0.269 338 P C 0.728 177.892 177.300 -0.228 0.000 1.215 338 P CA -0.092 62.927 63.100 -0.135 0.000 0.780 338 P CB 0.773 32.403 31.700 -0.117 0.000 0.898 339 V N 0.565 120.336 119.914 -0.239 0.000 2.637 339 V HA 0.317 4.437 4.120 0.001 0.000 0.296 339 V C -2.290 173.520 176.094 -0.474 0.000 1.046 339 V CA -1.953 60.088 62.300 -0.431 0.000 1.066 339 V CB -0.430 31.275 31.823 -0.196 0.000 0.968 339 V HN 0.416 nan 8.190 nan 0.000 0.483 340 P HA 0.279 nan 4.420 nan 0.000 0.268 340 P C -2.206 174.921 177.300 -0.287 0.000 1.205 340 P CA -1.279 61.490 63.100 -0.552 0.000 0.771 340 P CB 0.165 31.399 31.700 -0.777 0.000 0.858 341 P HA -0.173 nan 4.420 nan 0.000 0.218 341 P C 0.938 178.294 177.300 0.094 0.000 1.149 341 P CA 1.353 64.444 63.100 -0.016 0.000 0.817 341 P CB 0.053 31.755 31.700 0.002 0.000 0.785 342 E N -1.441 118.831 120.200 0.121 0.000 2.118 342 E HA -0.195 4.155 4.350 0.001 0.000 0.195 342 E C 1.498 178.340 176.600 0.404 0.000 0.992 342 E CA 0.981 57.544 56.400 0.273 0.000 0.804 342 E CB -1.161 28.678 29.700 0.232 0.000 0.741 342 E HN 0.319 nan 8.360 nan 0.000 0.458 343 W N 0.760 122.097 121.300 0.061 0.000 2.436 343 W HA -0.055 4.605 4.660 0.001 0.000 0.261 343 W C 2.015 178.523 176.519 -0.019 0.000 1.222 343 W CA 0.502 57.862 57.345 0.025 0.000 1.191 343 W CB -0.821 28.636 29.460 -0.004 0.000 1.132 343 W HN 0.185 nan 8.180 nan 0.000 0.596 344 M N -1.324 118.365 119.600 0.149 0.000 2.267 344 M HA -0.222 4.259 4.480 0.001 0.000 0.263 344 M C 0.951 177.044 176.300 -0.345 0.000 1.063 344 M CA 1.767 56.971 55.300 -0.159 0.000 1.090 344 M CB -0.347 32.053 32.600 -0.334 0.000 1.392 344 M HN -0.102 nan 8.290 nan 0.000 0.422 345 F N -0.111 119.867 119.950 0.045 0.000 2.695 345 F HA 0.246 4.774 4.527 0.001 0.000 0.303 345 F C 0.777 176.573 175.800 -0.008 0.000 1.091 345 F CA -0.355 57.648 58.000 0.005 0.000 1.300 345 F CB 0.103 39.102 39.000 -0.001 0.000 1.071 345 F HN -0.083 nan 8.300 nan 0.000 0.578 346 E N 0.818 121.088 120.200 0.118 0.000 2.349 346 E HA 0.054 4.404 4.350 0.001 0.000 0.265 346 E C 0.305 176.878 176.600 -0.045 0.000 1.064 346 E CA 0.204 56.614 56.400 0.017 0.000 0.886 346 E CB 0.529 30.177 29.700 -0.087 0.000 1.036 346 E HN 0.189 nan 8.360 nan 0.000 0.413 347 D N 0.440 120.809 120.400 -0.052 0.000 3.046 347 D HA -0.171 4.470 4.640 0.001 0.000 0.210 347 D C 1.194 177.433 176.300 -0.102 0.000 1.124 347 D CA 0.715 54.671 54.000 -0.072 0.000 0.986 347 D CB -1.347 39.389 40.800 -0.108 0.000 1.118 347 D HN 0.187 nan 8.370 nan 0.000 0.416 348 V N -1.006 118.840 119.914 -0.114 0.000 2.427 348 V HA -0.068 4.053 4.120 0.001 0.000 0.248 348 V C 1.055 176.838 176.094 -0.520 0.000 1.051 348 V CA 1.695 63.809 62.300 -0.309 0.000 1.048 348 V CB -0.186 31.478 31.823 -0.265 0.000 0.666 348 V HN 0.123 nan 8.190 nan 0.000 0.456 349 F N -2.790 117.156 119.950 -0.008 0.000 2.706 349 F HA 0.692 5.220 4.527 0.001 0.000 0.328 349 F C 1.026 176.822 175.800 -0.007 0.000 1.123 349 F CA -0.325 57.675 58.000 0.001 0.000 0.978 349 F CB 1.024 40.027 39.000 0.005 0.000 1.404 349 F HN -0.198 nan 8.300 nan 0.000 0.497 350 A N -0.626 122.329 122.820 0.225 0.000 1.883 350 A HA -0.005 4.316 4.320 0.001 0.000 0.217 350 A C 0.421 178.059 177.584 0.089 0.000 1.186 350 A CA 1.618 53.721 52.037 0.110 0.000 0.624 350 A CB -0.363 18.689 19.000 0.087 0.000 0.822 350 A HN 0.549 nan 8.150 nan 0.000 0.444 351 E N -0.453 119.809 120.200 0.103 0.000 2.288 351 E HA 0.380 4.731 4.350 0.001 0.000 0.268 351 E C -1.201 175.443 176.600 0.072 0.000 0.885 351 E CA -0.644 55.794 56.400 0.063 0.000 0.767 351 E CB 1.339 31.057 29.700 0.030 0.000 1.220 351 E HN 0.287 nan 8.360 nan 0.000 0.427 352 K N 2.739 123.168 120.400 0.049 0.000 2.412 352 K HA 0.198 4.518 4.320 0.001 0.000 0.284 352 K C -2.125 174.442 176.600 -0.055 0.000 1.046 352 K CA -1.084 55.216 56.287 0.020 0.000 0.999 352 K CB 0.015 32.519 32.500 0.006 0.000 0.941 352 K HN 0.134 nan 8.250 nan 0.000 0.474 353 P HA -0.008 nan 4.420 nan 0.000 0.279 353 P C 0.776 177.970 177.300 -0.177 0.000 1.282 353 P CA -0.633 62.356 63.100 -0.185 0.000 0.788 353 P CB 0.247 31.759 31.700 -0.313 0.000 1.139 354 W N 1.260 122.546 121.300 -0.023 0.000 2.335 354 W HA -0.232 4.428 4.660 0.001 0.000 0.311 354 W C 1.599 178.122 176.519 0.006 0.000 1.213 354 W CA 1.947 59.293 57.345 0.002 0.000 1.274 354 W CB -2.054 27.431 29.460 0.042 0.000 1.148 354 W HN 0.469 nan 8.180 nan 0.000 0.498 355 H N 0.615 119.095 119.070 -0.984 0.000 2.457 355 H HA -0.032 4.525 4.556 0.001 0.000 0.294 355 H C 2.231 177.374 175.328 -0.309 0.000 1.064 355 H CA 1.416 56.952 56.048 -0.852 0.000 1.330 355 H CB -1.029 27.921 29.762 -1.354 0.000 1.395 355 H HN 0.254 nan 8.280 nan 0.000 0.541 356 L N 0.299 121.082 121.223 -0.733 0.000 2.179 356 L HA -0.032 4.309 4.340 0.001 0.000 0.208 356 L C 2.829 179.501 176.870 -0.330 0.000 1.096 356 L CA 0.356 54.972 54.840 -0.373 0.000 0.779 356 L CB -0.218 41.688 42.059 -0.255 0.000 0.922 356 L HN 0.162 nan 8.230 nan 0.000 0.443 357 L N -0.336 120.747 121.223 -0.234 0.000 2.017 357 L HA -0.216 4.125 4.340 0.001 0.000 0.208 357 L C 2.848 179.623 176.870 -0.158 0.000 1.073 357 L CA 1.276 56.017 54.840 -0.165 0.000 0.745 357 L CB -0.525 41.505 42.059 -0.047 0.000 0.894 357 L HN 0.270 nan 8.230 nan 0.000 0.432 358 R N 0.144 120.604 120.500 -0.067 0.000 2.081 358 R HA -0.190 4.150 4.340 0.001 0.000 0.235 358 R C 2.242 178.485 176.300 -0.094 0.000 1.131 358 R CA 1.565 57.656 56.100 -0.015 0.000 0.960 358 R CB -0.094 30.277 30.300 0.119 0.000 0.856 358 R HN 0.448 nan 8.270 nan 0.000 0.436 359 Q N -0.042 119.663 119.800 -0.157 0.000 2.119 359 Q HA -0.192 4.149 4.340 0.001 0.000 0.201 359 Q C 1.966 177.680 176.000 -0.475 0.000 0.972 359 Q CA 1.729 57.433 55.803 -0.166 0.000 0.847 359 Q CB -0.025 28.724 28.738 0.019 0.000 0.903 359 Q HN 0.481 nan 8.270 nan 0.000 0.433 360 E N 0.325 119.942 120.200 -0.972 0.000 2.150 360 E HA -0.170 4.181 4.350 0.001 0.000 0.193 360 E C 1.736 178.098 176.600 -0.395 0.000 0.985 360 E CA 0.886 56.604 56.400 -1.138 0.000 0.814 360 E CB 0.001 29.084 29.700 -1.027 0.000 0.752 360 E HN 0.330 nan 8.360 nan 0.000 0.466 361 A N 0.923 123.589 122.820 -0.257 0.000 1.968 361 A HA -0.073 4.248 4.320 0.001 0.000 0.217 361 A C 2.070 179.612 177.584 -0.070 0.000 1.169 361 A CA 0.815 52.781 52.037 -0.118 0.000 0.638 361 A CB -0.424 18.530 19.000 -0.077 0.000 0.812 361 A HN 0.382 nan 8.150 nan 0.000 0.446 362 L N -0.863 120.319 121.223 -0.068 0.000 2.141 362 L HA -0.025 4.316 4.340 0.001 0.000 0.209 362 L C 2.067 178.942 176.870 0.009 0.000 1.094 362 L CA 1.527 56.359 54.840 -0.013 0.000 0.763 362 L CB -0.482 41.582 42.059 0.009 0.000 0.908 362 L HN 0.313 nan 8.230 nan 0.000 0.437 363 L N -0.487 120.742 121.223 0.011 0.000 2.109 363 L HA -0.140 4.201 4.340 0.001 0.000 0.207 363 L C 2.388 179.281 176.870 0.039 0.000 1.086 363 L CA 1.652 56.532 54.840 0.066 0.000 0.760 363 L CB -0.610 41.548 42.059 0.164 0.000 0.910 363 L HN 0.222 nan 8.230 nan 0.000 0.437 364 K N -0.348 120.059 120.400 0.011 0.000 2.209 364 K HA -0.179 4.142 4.320 0.001 0.000 0.204 364 K C 1.748 178.352 176.600 0.008 0.000 1.048 364 K CA 1.531 57.823 56.287 0.008 0.000 0.940 364 K CB -0.196 32.300 32.500 -0.007 0.000 0.729 364 K HN 0.468 nan 8.250 nan 0.000 0.451 365 E N 0.526 120.730 120.200 0.007 0.000 2.401 365 E HA -0.198 4.152 4.350 0.001 0.000 0.199 365 E C 1.656 178.263 176.600 0.012 0.000 1.023 365 E CA 0.764 57.169 56.400 0.009 0.000 0.859 365 E CB 0.123 29.829 29.700 0.010 0.000 0.780 365 E HN 0.367 nan 8.360 nan 0.000 0.523 366 E N -0.204 120.007 120.200 0.017 0.000 2.364 366 E HA 0.073 4.424 4.350 0.001 0.000 0.203 366 E C 0.583 177.192 176.600 0.015 0.000 0.888 366 E CA -0.136 56.275 56.400 0.018 0.000 0.989 366 E CB 0.543 30.259 29.700 0.026 0.000 0.985 366 E HN 0.058 nan 8.360 nan 0.000 0.499 367 L N 0.000 121.233 121.223 0.017 0.000 2.949 367 L HA 0.000 4.341 4.340 0.001 0.000 0.249 367 L CA 0.000 54.847 54.840 0.011 0.000 0.813 367 L CB 0.000 42.069 42.059 0.016 0.000 0.961 367 L HN 0.000 nan 8.230 nan 0.000 0.502