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 1h83_1_A DATA FIRST_RESID 5 DATA SEQUENCE PRVIVVGAGM SGISAAKRLS EAGITDLLIL EATDHIGGRM HKTNFAGINV DATA SEQUENCE ELGANWVEGV NGGKMNPIWP IVNSTLKLRN FRSDFDYLAQ NVYKEDGGVY DATA SEQUENCE DEDYVQKRIE LADSVEEMGE KLSATLHASG RDDMSILAMQ RLNEHQPNGP DATA SEQUENCE ATPVDMVVDY YKFDYEFAEP PRVTSLQNTV PLATFSDFGD DVYFVADQRG DATA SEQUENCE YEAVVYYLAG QYLKTDDKSG KIVDPRLQLN KVVREIKYSP GGVTVKTEDN DATA SEQUENCE SVYSADYVMV SASLGVLQSD LIQFKPKLPT WKVRAIYQFD MAVYTKIFLK DATA SEQUENCE FPRKFWPEGK GREFFLYASS RRGYYGVWQE FEKQYPDANV LLVTVTDEES DATA SEQUENCE RRIEQQSDEQ TKAEIMQVLR KMFPGKDVPD ATDILVPRWW SDRFYKGTFS DATA SEQUENCE NWPVGVNRYE YDQLRAPVGR VYFTGEHTSE HYNGYVHGAY LSGIDSAEIL DATA SEQUENCE INcAQKKMc 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.343 177.300 0.072 0.000 1.155 5 P CA 0.000 63.154 63.100 0.089 0.000 0.800 5 P CB 0.000 31.812 31.700 0.186 0.000 0.726 6 R N 0.750 121.298 120.500 0.079 0.000 2.349 6 R HA 0.645 4.985 4.340 -0.000 0.000 0.299 6 R C -1.043 175.307 176.300 0.083 0.000 1.027 6 R CA -0.440 55.693 56.100 0.054 0.000 0.958 6 R CB 0.931 31.255 30.300 0.039 0.000 1.047 6 R HN 0.258 nan 8.270 nan 0.000 0.468 7 V N 6.390 126.331 119.914 0.044 0.000 2.588 7 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 7 V C -0.116 175.976 176.094 -0.003 0.000 1.042 7 V CA -0.768 61.558 62.300 0.043 0.000 0.877 7 V CB 1.917 33.732 31.823 -0.013 0.000 0.996 7 V HN 0.725 nan 8.190 nan 0.000 0.425 8 I N 4.111 124.678 120.570 -0.005 0.000 2.392 8 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 8 I C -0.572 175.510 176.117 -0.058 0.000 0.985 8 I CA -0.744 60.524 61.300 -0.053 0.000 1.221 8 I CB 1.958 39.920 38.000 -0.062 0.000 1.366 8 I HN 0.277 nan 8.210 nan 0.000 0.467 9 V N 7.100 126.967 119.914 -0.078 0.000 2.384 9 V HA 0.284 4.404 4.120 -0.000 0.000 0.287 9 V C -0.047 175.997 176.094 -0.084 0.000 1.020 9 V CA -0.711 61.547 62.300 -0.071 0.000 0.850 9 V CB 1.788 33.576 31.823 -0.059 0.000 0.987 9 V HN 0.367 nan 8.190 nan 0.000 0.436 10 V N 4.453 124.323 119.914 -0.073 0.000 2.364 10 V HA 0.835 4.955 4.120 -0.000 0.000 0.272 10 V C 0.672 176.726 176.094 -0.066 0.000 1.036 10 V CA 0.407 62.657 62.300 -0.083 0.000 0.880 10 V CB 0.545 32.327 31.823 -0.070 0.000 0.991 10 V HN 1.299 nan 8.190 nan 0.000 0.460 11 G N 4.177 112.920 108.800 -0.095 0.000 3.055 11 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 11 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 11 G C -0.141 174.723 174.900 -0.061 0.000 1.087 11 G CA -0.288 44.760 45.100 -0.087 0.000 0.779 11 G HN 1.530 nan 8.290 nan 0.000 0.599 12 A N 1.670 124.447 122.820 -0.072 0.000 2.842 12 A HA 0.776 5.096 4.320 -0.000 0.000 0.298 12 A C 1.361 178.931 177.584 -0.024 0.000 1.293 12 A CA 1.125 53.128 52.037 -0.057 0.000 0.959 12 A CB -0.243 18.700 19.000 -0.095 0.000 1.119 12 A HN 2.147 nan 8.150 nan 0.000 0.564 13 G N -1.339 107.474 108.800 0.022 0.000 2.535 13 G HA2 0.364 4.324 3.960 -0.000 0.000 0.282 13 G HA3 0.364 4.324 3.960 -0.000 0.000 0.282 13 G C 0.882 175.818 174.900 0.060 0.000 1.350 13 G CA 0.122 45.264 45.100 0.071 0.000 1.039 13 G HN 0.286 nan 8.290 nan 0.000 0.509 14 M N 0.577 120.223 119.600 0.076 0.000 2.080 14 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 14 M C 2.643 178.996 176.300 0.088 0.000 1.068 14 M CA 2.762 58.117 55.300 0.092 0.000 1.109 14 M CB -0.648 32.011 32.600 0.099 0.000 1.342 14 M HN 0.553 nan 8.290 nan 0.000 0.405 15 S N -0.985 114.755 115.700 0.068 0.000 2.387 15 S HA 0.042 4.512 4.470 -0.000 0.000 0.226 15 S C 2.177 176.780 174.600 0.005 0.000 1.026 15 S CA 0.878 59.096 58.200 0.029 0.000 0.972 15 S CB -1.686 61.527 63.200 0.021 0.000 0.814 15 S HN 0.597 nan 8.310 nan 0.000 0.477 16 G N 2.290 111.100 108.800 0.018 0.000 2.404 16 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.215 16 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.215 16 G C 1.384 176.293 174.900 0.015 0.000 1.174 16 G CA 0.911 46.011 45.100 0.001 0.000 0.780 16 G HN 0.460 nan 8.290 nan 0.000 0.537 17 I N 1.318 121.917 120.570 0.048 0.000 2.315 17 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 17 I C 2.900 179.080 176.117 0.104 0.000 1.117 17 I CA 1.456 62.827 61.300 0.119 0.000 1.404 17 I CB -0.866 37.195 38.000 0.100 0.000 1.071 17 I HN 0.277 nan 8.210 nan 0.000 0.419 18 S N 0.809 116.534 115.700 0.041 0.000 2.368 18 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 18 S C 2.246 176.759 174.600 -0.145 0.000 1.029 18 S CA 1.356 59.529 58.200 -0.046 0.000 0.988 18 S CB -0.049 63.086 63.200 -0.109 0.000 0.838 18 S HN 0.441 nan 8.310 nan 0.000 0.462 19 A N 1.476 124.223 122.820 -0.122 0.000 1.873 19 A HA 0.261 4.581 4.320 -0.000 0.000 0.215 19 A C 2.505 179.973 177.584 -0.194 0.000 1.186 19 A CA 1.783 53.728 52.037 -0.153 0.000 0.616 19 A CB -1.477 17.453 19.000 -0.116 0.000 0.823 19 A HN 0.779 nan 8.150 nan 0.000 0.442 20 A N -0.005 122.716 122.820 -0.164 0.000 1.908 20 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 20 A C 2.136 179.360 177.584 -0.600 0.000 1.181 20 A CA 2.158 54.059 52.037 -0.227 0.000 0.627 20 A CB -0.503 18.489 19.000 -0.012 0.000 0.818 20 A HN 0.591 nan 8.150 nan 0.000 0.445 21 K N -0.665 119.270 120.400 -0.776 0.000 2.097 21 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 21 K C 2.228 178.517 176.600 -0.519 0.000 1.049 21 K CA 1.723 57.372 56.287 -1.063 0.000 0.933 21 K CB -0.139 32.070 32.500 -0.486 0.000 0.717 21 K HN 0.284 nan 8.250 nan 0.000 0.442 22 R N 0.434 120.733 120.500 -0.335 0.000 2.115 22 R HA -0.041 4.298 4.340 -0.000 0.000 0.230 22 R C 1.940 178.107 176.300 -0.221 0.000 1.111 22 R CA 0.985 56.944 56.100 -0.235 0.000 0.976 22 R CB -0.492 29.689 30.300 -0.199 0.000 0.870 22 R HN 0.193 nan 8.270 nan 0.000 0.445 23 L N 0.051 121.125 121.223 -0.248 0.000 2.027 23 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 23 L C 2.340 179.096 176.870 -0.191 0.000 1.074 23 L CA 2.089 56.803 54.840 -0.210 0.000 0.745 23 L CB -1.372 40.564 42.059 -0.204 0.000 0.898 23 L HN 0.287 nan 8.230 nan 0.000 0.433 24 S N -0.546 115.004 115.700 -0.250 0.000 2.370 24 S HA -0.230 4.240 4.470 -0.000 0.000 0.226 24 S C 1.817 176.332 174.600 -0.143 0.000 1.033 24 S CA 1.560 59.646 58.200 -0.190 0.000 1.011 24 S CB -0.130 62.896 63.200 -0.290 0.000 0.852 24 S HN 0.537 nan 8.310 nan 0.000 0.457 25 E N 0.531 120.631 120.200 -0.167 0.000 2.265 25 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 25 E C 1.794 178.342 176.600 -0.088 0.000 0.996 25 E CA 0.893 57.228 56.400 -0.109 0.000 0.832 25 E CB -0.190 29.446 29.700 -0.107 0.000 0.756 25 E HN 0.613 nan 8.360 nan 0.000 0.491 26 A N 0.068 122.826 122.820 -0.103 0.000 2.307 26 A HA 0.346 4.666 4.320 -0.000 0.000 0.218 26 A C 1.622 179.162 177.584 -0.073 0.000 1.228 26 A CA 0.614 52.599 52.037 -0.086 0.000 0.857 26 A CB -0.168 18.768 19.000 -0.106 0.000 0.897 26 A HN 0.302 nan 8.150 nan 0.000 0.495 27 G N -0.648 108.111 108.800 -0.069 0.000 2.176 27 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.253 27 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.253 27 G C 0.135 175.003 174.900 -0.053 0.000 0.979 27 G CA 0.194 45.264 45.100 -0.051 0.000 0.641 27 G HN 0.511 nan 8.290 nan 0.000 0.530 28 I N 2.736 123.262 120.570 -0.074 0.000 2.269 28 I HA 0.277 4.446 4.170 -0.000 0.000 0.293 28 I C 1.624 177.705 176.117 -0.060 0.000 1.106 28 I CA 0.589 61.849 61.300 -0.068 0.000 1.248 28 I CB 0.833 38.775 38.000 -0.096 0.000 1.444 28 I HN 0.247 nan 8.210 nan 0.000 0.497 29 T N -0.843 113.693 114.554 -0.031 0.000 3.023 29 T HA 0.039 4.389 4.350 -0.000 0.000 0.253 29 T C 0.657 175.358 174.700 0.002 0.000 1.038 29 T CA -0.251 61.842 62.100 -0.011 0.000 0.962 29 T CB -0.037 68.832 68.868 0.002 0.000 1.018 29 T HN 0.352 nan 8.240 nan 0.000 0.521 30 D N 1.926 122.324 120.400 -0.003 0.000 2.551 30 D HA 0.301 4.941 4.640 -0.000 0.000 0.223 30 D C -0.349 175.952 176.300 0.001 0.000 1.144 30 D CA -0.296 53.707 54.000 0.005 0.000 1.025 30 D CB -0.671 40.136 40.800 0.010 0.000 1.085 30 D HN 0.464 nan 8.370 nan 0.000 0.506 31 L N 1.927 123.151 121.223 0.001 0.000 2.322 31 L HA 0.596 4.936 4.340 -0.000 0.000 0.269 31 L C -0.621 176.237 176.870 -0.020 0.000 1.012 31 L CA -1.342 53.493 54.840 -0.009 0.000 0.815 31 L CB 1.900 43.962 42.059 0.006 0.000 1.295 31 L HN 0.120 nan 8.230 nan 0.000 0.438 32 L N 2.671 123.864 121.223 -0.050 0.000 2.541 32 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 32 L C -1.213 175.583 176.870 -0.124 0.000 0.966 32 L CA 0.071 54.851 54.840 -0.100 0.000 0.871 32 L CB 1.415 43.385 42.059 -0.148 0.000 1.232 32 L HN 0.363 nan 8.230 nan 0.000 0.408 33 I N 6.172 126.676 120.570 -0.110 0.000 2.312 33 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 33 I C -0.649 175.375 176.117 -0.155 0.000 1.008 33 I CA -0.378 60.858 61.300 -0.107 0.000 1.226 33 I CB 1.072 39.034 38.000 -0.062 0.000 1.371 33 I HN 0.461 nan 8.210 nan 0.000 0.468 34 L N 6.424 127.539 121.223 -0.180 0.000 2.276 34 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 34 L C -0.235 176.527 176.870 -0.180 0.000 1.024 34 L CA -0.501 54.216 54.840 -0.205 0.000 0.826 34 L CB 1.345 43.252 42.059 -0.253 0.000 1.211 34 L HN 0.515 nan 8.230 nan 0.000 0.422 35 E N 2.308 122.397 120.200 -0.186 0.000 2.171 35 E HA 0.517 4.867 4.350 -0.000 0.000 0.271 35 E C 0.341 176.762 176.600 -0.298 0.000 0.916 35 E CA -0.273 55.992 56.400 -0.226 0.000 0.774 35 E CB 2.087 31.668 29.700 -0.199 0.000 1.128 35 E HN 0.552 nan 8.360 nan 0.000 0.403 36 A N 3.495 126.044 122.820 -0.452 0.000 1.898 36 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 36 A C 1.348 178.567 177.584 -0.609 0.000 1.181 36 A CA 1.780 53.398 52.037 -0.699 0.000 0.620 36 A CB -1.083 17.040 19.000 -1.462 0.000 0.819 36 A HN 0.746 nan 8.150 nan 0.000 0.442 37 T N -1.673 112.564 114.554 -0.528 0.000 2.771 37 T HA 0.333 4.683 4.350 -0.000 0.000 0.290 37 T C 0.312 174.881 174.700 -0.220 0.000 1.005 37 T CA 0.247 62.156 62.100 -0.319 0.000 0.944 37 T CB 0.652 69.268 68.868 -0.419 0.000 1.147 37 T HN 0.337 nan 8.240 nan 0.000 0.534 38 D N -0.772 119.589 120.400 -0.064 0.000 2.370 38 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 38 D C 0.574 176.946 176.300 0.119 0.000 1.143 38 D CA -0.339 53.685 54.000 0.039 0.000 0.834 38 D CB -0.634 40.239 40.800 0.121 0.000 0.944 38 D HN 0.854 nan 8.370 nan 0.000 0.504 39 H N -1.526 117.561 119.070 0.028 0.000 2.981 39 H HA 0.402 4.958 4.556 -0.000 0.000 0.327 39 H C -0.474 174.861 175.328 0.012 0.000 1.342 39 H CA -1.157 54.932 56.048 0.069 0.000 1.123 39 H CB 0.619 30.472 29.762 0.152 0.000 1.851 39 H HN 0.011 nan 8.280 nan 0.000 0.531 40 I N -2.472 118.149 120.570 0.085 0.000 3.062 40 I HA 0.683 4.853 4.170 -0.000 0.000 0.318 40 I C 1.082 177.255 176.117 0.094 0.000 1.026 40 I CA -0.031 61.230 61.300 -0.066 0.000 1.096 40 I CB 1.514 39.365 38.000 -0.247 0.000 1.348 40 I HN 0.947 nan 8.210 nan 0.000 0.543 41 G N 0.710 109.536 108.800 0.044 0.000 2.284 41 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 41 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 41 G C 1.008 176.029 174.900 0.201 0.000 1.009 41 G CA 0.191 45.378 45.100 0.145 0.000 0.625 41 G HN 2.027 nan 8.290 nan 0.000 0.501 42 G N 0.650 109.597 108.800 0.245 0.000 2.665 42 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.326 42 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.326 42 G C 1.012 176.094 174.900 0.302 0.000 1.231 42 G CA 1.634 46.948 45.100 0.357 0.000 0.992 42 G HN 1.204 nan 8.290 nan 0.000 0.549 43 R N 0.357 120.968 120.500 0.184 0.000 2.357 43 R HA 0.189 4.529 4.340 -0.000 0.000 0.202 43 R C 0.919 177.239 176.300 0.034 0.000 1.047 43 R CA 0.596 56.658 56.100 -0.063 0.000 1.034 43 R CB -0.148 30.030 30.300 -0.203 0.000 0.875 43 R HN 0.431 nan 8.270 nan 0.000 0.473 44 M N 0.333 120.012 119.600 0.131 0.000 2.055 44 M HA 0.189 4.669 4.480 -0.000 0.000 0.346 44 M C -1.049 175.444 176.300 0.322 0.000 1.074 44 M CA -0.308 55.059 55.300 0.112 0.000 1.009 44 M CB 1.345 33.923 32.600 -0.037 0.000 1.423 44 M HN -0.068 nan 8.290 nan 0.000 0.410 45 H N 2.816 122.010 119.070 0.206 0.000 3.137 45 H HA 0.337 4.893 4.556 -0.000 0.000 0.336 45 H C -1.502 173.919 175.328 0.155 0.000 1.055 45 H CA -0.950 55.213 56.048 0.193 0.000 1.349 45 H CB 1.405 31.320 29.762 0.255 0.000 1.939 45 H HN 0.617 nan 8.280 nan 0.000 0.487 46 K N 2.762 122.927 120.400 -0.392 0.000 2.132 46 K HA 0.720 5.040 4.320 -0.000 0.000 0.241 46 K C -0.850 175.507 176.600 -0.404 0.000 1.000 46 K CA -0.702 55.418 56.287 -0.278 0.000 0.911 46 K CB 2.189 34.594 32.500 -0.158 0.000 1.093 46 K HN 0.447 nan 8.250 nan 0.000 0.460 47 T N -0.271 114.139 114.554 -0.239 0.000 2.853 47 T HA 0.167 4.517 4.350 -0.000 0.000 0.311 47 T C -1.665 172.947 174.700 -0.146 0.000 1.307 47 T CA -0.898 61.088 62.100 -0.190 0.000 1.019 47 T CB 1.318 70.108 68.868 -0.131 0.000 1.264 47 T HN 0.743 nan 8.240 nan 0.000 0.497 48 N N 2.446 121.088 118.700 -0.097 0.000 2.458 48 N HA 0.372 5.111 4.740 -0.000 0.000 0.270 48 N C -1.529 173.970 175.510 -0.019 0.000 1.102 48 N CA 0.002 53.002 53.050 -0.082 0.000 0.967 48 N CB 0.486 38.930 38.487 -0.072 0.000 1.078 48 N HN 0.498 nan 8.380 nan 0.000 0.471 49 F N 3.237 123.046 119.950 -0.235 0.000 2.585 49 F HA 0.474 5.000 4.527 -0.000 0.000 0.319 49 F C 0.138 175.826 175.800 -0.186 0.000 1.165 49 F CA -0.243 57.628 58.000 -0.215 0.000 0.949 49 F CB 1.006 39.813 39.000 -0.321 0.000 1.218 49 F HN 0.649 nan 8.300 nan 0.000 0.453 50 A N 3.813 126.180 122.820 -0.755 0.000 2.869 50 A HA 0.156 4.476 4.320 -0.000 0.000 0.280 50 A C 1.572 178.984 177.584 -0.286 0.000 1.458 50 A CA 1.346 53.032 52.037 -0.585 0.000 0.776 50 A CB -2.266 16.346 19.000 -0.647 0.000 1.028 50 A HN 2.769 nan 8.150 nan 0.000 0.547 51 G N -1.860 106.811 108.800 -0.215 0.000 2.179 51 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.257 51 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.257 51 G C 0.364 175.189 174.900 -0.126 0.000 1.010 51 G CA 1.106 46.124 45.100 -0.137 0.000 0.736 51 G HN 2.601 nan 8.290 nan 0.000 0.513 52 I N -3.765 116.706 120.570 -0.164 0.000 2.969 52 I HA 0.699 4.869 4.170 -0.000 0.000 0.307 52 I C -1.142 174.854 176.117 -0.202 0.000 1.149 52 I CA -1.548 59.643 61.300 -0.181 0.000 1.008 52 I CB 1.988 39.821 38.000 -0.279 0.000 1.232 52 I HN -0.146 nan 8.210 nan 0.000 0.435 53 N N 3.582 122.172 118.700 -0.184 0.000 2.434 53 N HA 0.567 5.307 4.740 -0.000 0.000 0.272 53 N C -0.530 174.830 175.510 -0.250 0.000 1.040 53 N CA -0.249 52.695 53.050 -0.175 0.000 0.956 53 N CB 1.909 40.334 38.487 -0.104 0.000 1.108 53 N HN 0.584 nan 8.380 nan 0.000 0.481 54 V N -0.800 118.923 119.914 -0.318 0.000 3.046 54 V HA 0.585 4.705 4.120 -0.000 0.000 0.316 54 V C -0.031 175.939 176.094 -0.205 0.000 1.104 54 V CA -0.995 61.074 62.300 -0.385 0.000 1.006 54 V CB 2.212 33.462 31.823 -0.955 0.000 1.058 54 V HN 0.326 nan 8.190 nan 0.000 0.440 55 E N 1.842 122.032 120.200 -0.017 0.000 2.223 55 E HA 0.363 4.713 4.350 -0.000 0.000 0.282 55 E C 0.492 177.256 176.600 0.272 0.000 1.046 55 E CA -0.086 56.388 56.400 0.124 0.000 0.857 55 E CB 1.785 31.581 29.700 0.161 0.000 1.055 55 E HN 0.700 nan 8.360 nan 0.000 0.409 56 L N 1.503 122.901 121.223 0.292 0.000 2.270 56 L HA 0.039 4.379 4.340 -0.000 0.000 0.210 56 L C 1.450 178.758 176.870 0.729 0.000 1.104 56 L CA 0.934 56.068 54.840 0.489 0.000 0.804 56 L CB 0.016 42.332 42.059 0.429 0.000 0.937 56 L HN 0.499 nan 8.230 nan 0.000 0.450 57 G N -0.881 108.256 108.800 0.562 0.000 3.410 57 G HA2 0.551 4.511 3.960 -0.000 0.000 0.189 57 G HA3 0.551 4.511 3.960 -0.000 0.000 0.189 57 G C -0.337 174.685 174.900 0.204 0.000 1.404 57 G CA 0.160 45.422 45.100 0.269 0.000 0.898 57 G HN 0.161 nan 8.290 nan 0.000 0.650 58 A N -0.703 122.179 122.820 0.103 0.000 2.520 58 A HA 0.354 4.673 4.320 -0.000 0.000 0.235 58 A C 0.622 178.407 177.584 0.335 0.000 1.065 58 A CA 1.025 53.161 52.037 0.166 0.000 0.764 58 A CB 0.023 19.025 19.000 0.002 0.000 1.002 58 A HN 0.742 nan 8.150 nan 0.000 0.502 59 N N -0.479 118.420 118.700 0.333 0.000 2.028 59 N HA 0.116 4.856 4.740 -0.000 0.000 0.230 59 N C -0.643 174.660 175.510 -0.346 0.000 1.354 59 N CA -0.286 52.706 53.050 -0.096 0.000 0.855 59 N CB 0.345 38.551 38.487 -0.468 0.000 1.111 59 N HN 0.757 nan 8.380 nan 0.000 0.480 60 W N 1.603 122.958 121.300 0.091 0.000 2.706 60 W HA 0.544 5.204 4.660 -0.000 0.000 0.346 60 W C -0.669 175.964 176.519 0.190 0.000 1.071 60 W CA -0.543 56.858 57.345 0.093 0.000 1.206 60 W CB 1.433 31.013 29.460 0.200 0.000 1.413 60 W HN -0.408 nan 8.180 nan 0.000 0.542 61 V N 2.347 122.491 119.914 0.383 0.000 2.370 61 V HA 0.182 4.302 4.120 -0.000 0.000 0.279 61 V C -0.057 176.222 176.094 0.309 0.000 1.029 61 V CA -0.487 62.023 62.300 0.351 0.000 0.870 61 V CB 1.132 33.117 31.823 0.271 0.000 0.984 61 V HN 0.387 nan 8.190 nan 0.000 0.451 62 E N 3.088 123.443 120.200 0.258 0.000 2.183 62 E HA 0.633 4.983 4.350 -0.000 0.000 0.271 62 E C 0.293 176.808 176.600 -0.143 0.000 0.919 62 E CA -0.372 56.108 56.400 0.134 0.000 0.781 62 E CB 1.978 31.756 29.700 0.130 0.000 1.140 62 E HN 0.995 nan 8.360 nan 0.000 0.402 63 G N 1.258 110.026 108.800 -0.054 0.000 2.830 63 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.298 63 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.298 63 G C -0.727 174.107 174.900 -0.110 0.000 1.031 63 G CA -0.558 44.484 45.100 -0.096 0.000 1.179 63 G HN 0.327 nan 8.290 nan 0.000 0.527 64 V N 2.566 122.443 119.914 -0.062 0.000 2.925 64 V HA 0.744 4.864 4.120 -0.000 0.000 0.311 64 V C 0.685 176.729 176.094 -0.084 0.000 1.104 64 V CA -0.308 61.842 62.300 -0.250 0.000 0.954 64 V CB 2.029 33.492 31.823 -0.600 0.000 1.022 64 V HN 0.970 nan 8.190 nan 0.000 0.427 65 N N 0.660 119.299 118.700 -0.102 0.000 2.925 65 N HA -0.131 4.609 4.740 -0.000 0.000 0.244 65 N C 0.314 175.846 175.510 0.037 0.000 1.000 65 N CA 1.253 54.305 53.050 0.003 0.000 0.895 65 N CB -1.037 37.481 38.487 0.050 0.000 1.119 65 N HN 1.052 nan 8.380 nan 0.000 0.569 66 G N -0.697 108.133 108.800 0.049 0.000 2.606 66 G HA2 0.553 4.513 3.960 -0.000 0.000 0.262 66 G HA3 0.553 4.513 3.960 -0.000 0.000 0.262 66 G C 1.116 176.056 174.900 0.066 0.000 1.394 66 G CA 0.113 45.251 45.100 0.063 0.000 1.044 66 G HN 0.133 nan 8.290 nan 0.000 0.553 67 G N -1.288 107.546 108.800 0.057 0.000 2.509 67 G HA2 0.111 4.071 3.960 -0.000 0.000 0.218 67 G HA3 0.111 4.071 3.960 -0.000 0.000 0.218 67 G C 0.727 175.675 174.900 0.079 0.000 1.124 67 G CA 0.583 45.714 45.100 0.051 0.000 0.776 67 G HN 0.413 nan 8.290 nan 0.000 0.547 68 K N -0.845 119.639 120.400 0.141 0.000 2.435 68 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 68 K C -1.274 175.483 176.600 0.263 0.000 0.954 68 K CA -1.099 55.315 56.287 0.211 0.000 0.820 68 K CB 2.239 34.916 32.500 0.295 0.000 1.292 68 K HN 0.030 nan 8.250 nan 0.000 0.436 69 M N 2.814 122.496 119.600 0.136 0.000 2.120 69 M HA 0.147 4.627 4.480 -0.000 0.000 0.354 69 M C -0.383 175.699 176.300 -0.364 0.000 1.287 69 M CA -0.264 55.017 55.300 -0.030 0.000 1.103 69 M CB 0.336 32.932 32.600 -0.008 0.000 1.623 69 M HN 0.383 nan 8.290 nan 0.000 0.471 70 N N 7.160 125.436 118.700 -0.707 0.000 2.452 70 N HA 0.153 4.893 4.740 -0.000 0.000 0.266 70 N C -2.000 173.161 175.510 -0.581 0.000 1.175 70 N CA -1.498 50.753 53.050 -1.331 0.000 0.945 70 N CB 1.023 38.849 38.487 -1.102 0.000 1.063 70 N HN 0.466 nan 8.380 nan 0.000 0.472 71 P HA -0.141 nan 4.420 nan 0.000 0.221 71 P C 1.307 178.419 177.300 -0.314 0.000 1.145 71 P CA 0.869 63.803 63.100 -0.277 0.000 0.795 71 P CB 0.417 32.020 31.700 -0.161 0.000 0.775 72 I N -2.081 118.320 120.570 -0.283 0.000 2.716 72 I HA -0.085 4.085 4.170 -0.000 0.000 0.259 72 I C 2.476 178.571 176.117 -0.037 0.000 1.172 72 I CA 0.457 61.656 61.300 -0.169 0.000 1.478 72 I CB -1.328 36.668 38.000 -0.006 0.000 1.104 72 I HN 0.111 nan 8.210 nan 0.000 0.439 73 W N 3.841 124.987 121.300 -0.257 0.000 2.333 73 W HA -0.186 4.474 4.660 -0.000 0.000 0.316 73 W C -0.779 175.615 176.519 -0.208 0.000 1.215 73 W CA 1.552 58.758 57.345 -0.231 0.000 1.278 73 W CB -1.239 28.060 29.460 -0.269 0.000 1.154 73 W HN 0.050 nan 8.180 nan 0.000 0.486 74 P HA -0.195 nan 4.420 nan 0.000 0.216 74 P C 1.580 178.661 177.300 -0.365 0.000 1.150 74 P CA 2.086 64.966 63.100 -0.368 0.000 0.837 74 P CB -0.340 31.243 31.700 -0.195 0.000 0.786 75 I N -1.585 118.815 120.570 -0.283 0.000 2.252 75 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 75 I C 2.211 178.130 176.117 -0.329 0.000 1.102 75 I CA 1.216 62.335 61.300 -0.300 0.000 1.385 75 I CB -0.732 37.136 38.000 -0.220 0.000 1.064 75 I HN -0.171 nan 8.210 nan 0.000 0.414 76 V N 0.908 120.643 119.914 -0.298 0.000 2.283 76 V HA -0.234 3.886 4.120 -0.000 0.000 0.243 76 V C 2.171 177.958 176.094 -0.511 0.000 1.039 76 V CA 2.197 64.316 62.300 -0.301 0.000 1.016 76 V CB -0.727 30.994 31.823 -0.171 0.000 0.650 76 V HN 0.413 nan 8.190 nan 0.000 0.449 77 N N -0.514 117.638 118.700 -0.913 0.000 2.300 77 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 77 N C 1.811 176.958 175.510 -0.606 0.000 1.016 77 N CA 1.552 53.992 53.050 -1.017 0.000 0.876 77 N CB 0.145 37.479 38.487 -1.921 0.000 0.979 77 N HN 0.433 nan 8.380 nan 0.000 0.432 78 S N -1.845 113.546 115.700 -0.514 0.000 2.694 78 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 78 S C 1.775 176.212 174.600 -0.273 0.000 1.012 78 S CA 0.513 58.511 58.200 -0.338 0.000 0.896 78 S CB -0.445 62.579 63.200 -0.293 0.000 0.838 78 S HN 0.234 nan 8.310 nan 0.000 0.604 79 T N 3.462 117.836 114.554 -0.299 0.000 2.622 79 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 79 T C 1.618 176.142 174.700 -0.294 0.000 1.047 79 T CA 1.282 63.202 62.100 -0.301 0.000 1.159 79 T CB -0.430 68.171 68.868 -0.446 0.000 0.863 79 T HN 0.186 nan 8.240 nan 0.000 0.422 80 L N -0.276 120.756 121.223 -0.318 0.000 2.513 80 L HA 0.277 4.617 4.340 -0.000 0.000 0.222 80 L C 0.393 177.152 176.870 -0.186 0.000 1.096 80 L CA -0.014 54.687 54.840 -0.231 0.000 0.857 80 L CB -0.244 41.690 42.059 -0.208 0.000 1.026 80 L HN 0.193 nan 8.230 nan 0.000 0.469 81 K N 1.818 122.079 120.400 -0.232 0.000 3.653 81 K HA -0.160 4.160 4.320 -0.000 0.000 0.275 81 K C -0.453 176.045 176.600 -0.170 0.000 0.962 81 K CA 0.302 56.461 56.287 -0.214 0.000 0.773 81 K CB -1.544 30.858 32.500 -0.164 0.000 1.463 81 K HN 0.291 nan 8.250 nan 0.000 0.450 82 L N 0.844 121.960 121.223 -0.177 0.000 2.371 82 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 82 L C 1.175 177.970 176.870 -0.124 0.000 1.124 82 L CA -0.510 54.261 54.840 -0.116 0.000 0.816 82 L CB 0.806 42.804 42.059 -0.101 0.000 1.129 82 L HN 0.299 nan 8.230 nan 0.000 0.448 83 R N 3.057 123.505 120.500 -0.088 0.000 2.522 83 R HA 0.092 4.431 4.340 -0.000 0.000 0.284 83 R C -0.748 175.465 176.300 -0.146 0.000 1.032 83 R CA 0.125 56.148 56.100 -0.128 0.000 1.049 83 R CB 0.212 30.486 30.300 -0.043 0.000 0.956 83 R HN 0.879 nan 8.270 nan 0.000 0.422 84 N N 2.149 120.659 118.700 -0.316 0.000 2.823 84 N HA 0.409 5.149 4.740 -0.000 0.000 0.251 84 N C -1.771 173.488 175.510 -0.418 0.000 1.392 84 N CA -0.831 52.129 53.050 -0.151 0.000 0.864 84 N CB 1.057 39.633 38.487 0.147 0.000 1.481 84 N HN 0.282 nan 8.380 nan 0.000 0.508 85 F N -0.952 119.187 119.950 0.315 0.000 2.581 85 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 85 F C 0.397 176.276 175.800 0.132 0.000 1.113 85 F CA -0.871 57.261 58.000 0.221 0.000 0.935 85 F CB 2.171 41.223 39.000 0.086 0.000 1.232 85 F HN 0.425 nan 8.300 nan 0.000 0.445 86 R N 1.316 121.821 120.500 0.009 0.000 2.491 86 R HA 0.385 4.725 4.340 -0.000 0.000 0.283 86 R C -0.514 175.748 176.300 -0.063 0.000 1.072 86 R CA 0.040 55.815 56.100 -0.541 0.000 1.048 86 R CB 0.672 30.603 30.300 -0.616 0.000 0.983 86 R HN 0.719 nan 8.270 nan 0.000 0.450 87 S N 2.548 118.273 115.700 0.042 0.000 2.513 87 S HA 0.066 4.536 4.470 -0.000 0.000 0.276 87 S C -0.644 173.870 174.600 -0.142 0.000 1.254 87 S CA -0.514 57.748 58.200 0.105 0.000 1.053 87 S CB 1.171 64.552 63.200 0.302 0.000 0.958 87 S HN 0.525 nan 8.310 nan 0.000 0.491 88 D N 1.510 121.821 120.400 -0.148 0.000 2.381 88 D HA 0.307 4.947 4.640 -0.000 0.000 0.235 88 D C -0.665 175.526 176.300 -0.182 0.000 1.068 88 D CA -0.650 53.300 54.000 -0.083 0.000 0.832 88 D CB 0.445 41.298 40.800 0.089 0.000 1.101 88 D HN 0.387 nan 8.370 nan 0.000 0.515 89 F N 1.348 121.371 119.950 0.122 0.000 2.641 89 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 89 F C 1.598 177.426 175.800 0.048 0.000 1.098 89 F CA -0.463 57.571 58.000 0.056 0.000 1.318 89 F CB 0.541 39.506 39.000 -0.059 0.000 1.035 89 F HN 0.251 nan 8.300 nan 0.000 0.551 90 D N -0.483 120.018 120.400 0.168 0.000 2.309 90 D HA -0.174 4.465 4.640 -0.000 0.000 0.212 90 D C 0.999 177.147 176.300 -0.253 0.000 0.968 90 D CA 1.401 55.354 54.000 -0.078 0.000 0.882 90 D CB -0.166 40.484 40.800 -0.250 0.000 0.918 90 D HN 0.354 nan 8.370 nan 0.000 0.503 91 Y N 0.085 120.424 120.300 0.065 0.000 2.571 91 Y HA 0.270 4.820 4.550 -0.000 0.000 0.275 91 Y C 1.886 177.822 175.900 0.061 0.000 1.179 91 Y CA -0.302 57.830 58.100 0.054 0.000 1.242 91 Y CB -0.162 38.334 38.460 0.060 0.000 1.126 91 Y HN -0.129 nan 8.280 nan 0.000 0.524 92 L N -0.289 121.019 121.223 0.142 0.000 2.079 92 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 92 L C 2.531 179.433 176.870 0.053 0.000 1.081 92 L CA 1.332 56.221 54.840 0.082 0.000 0.752 92 L CB -0.458 41.541 42.059 -0.100 0.000 0.896 92 L HN 0.384 nan 8.230 nan 0.000 0.433 93 A N -0.763 122.065 122.820 0.014 0.000 2.076 93 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 93 A C 2.057 179.670 177.584 0.047 0.000 1.160 93 A CA 1.437 53.478 52.037 0.007 0.000 0.653 93 A CB -0.353 18.634 19.000 -0.021 0.000 0.801 93 A HN 0.552 nan 8.150 nan 0.000 0.455 94 Q N -0.586 119.265 119.800 0.085 0.000 2.403 94 Q HA 0.105 4.445 4.340 -0.000 0.000 0.203 94 Q C -0.151 175.879 176.000 0.049 0.000 0.932 94 Q CA 0.129 55.978 55.803 0.076 0.000 0.945 94 Q CB 0.242 29.050 28.738 0.116 0.000 1.045 94 Q HN 0.606 nan 8.270 nan 0.000 0.511 95 N N 0.243 118.998 118.700 0.092 0.000 2.571 95 N HA 0.145 4.885 4.740 -0.000 0.000 0.298 95 N C -1.311 174.312 175.510 0.189 0.000 1.671 95 N CA 0.110 53.237 53.050 0.129 0.000 0.900 95 N CB 1.904 40.569 38.487 0.296 0.000 1.365 95 N HN -0.103 nan 8.380 nan 0.000 0.493 96 V N 1.970 121.939 119.914 0.091 0.000 2.347 96 V HA 0.317 4.437 4.120 -0.000 0.000 0.280 96 V C -0.457 175.759 176.094 0.203 0.000 1.021 96 V CA -0.600 61.827 62.300 0.212 0.000 0.847 96 V CB 0.246 32.150 31.823 0.135 0.000 0.990 96 V HN 0.156 nan 8.190 nan 0.000 0.444 97 Y N 3.578 124.036 120.300 0.264 0.000 2.319 97 Y HA 0.344 4.894 4.550 -0.000 0.000 0.328 97 Y C 1.023 177.030 175.900 0.178 0.000 1.133 97 Y CA -0.386 57.818 58.100 0.173 0.000 1.265 97 Y CB 0.785 39.327 38.460 0.137 0.000 1.218 97 Y HN 0.505 nan 8.280 nan 0.000 0.508 98 K N 1.855 122.274 120.400 0.032 0.000 2.258 98 K HA -0.015 4.305 4.320 -0.000 0.000 0.264 98 K C 1.047 177.673 176.600 0.042 0.000 1.007 98 K CA -0.310 55.898 56.287 -0.132 0.000 0.941 98 K CB 0.733 32.961 32.500 -0.453 0.000 0.966 98 K HN 0.773 nan 8.250 nan 0.000 0.480 99 E N 1.082 121.268 120.200 -0.024 0.000 2.118 99 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 99 E C -0.404 176.310 176.600 0.189 0.000 0.992 99 E CA 1.272 57.675 56.400 0.007 0.000 0.804 99 E CB 0.308 30.000 29.700 -0.013 0.000 0.741 99 E HN 0.393 nan 8.360 nan 0.000 0.458 100 D N -0.373 120.072 120.400 0.075 0.000 2.389 100 D HA 0.272 4.912 4.640 -0.000 0.000 0.256 100 D C -0.739 175.563 176.300 0.004 0.000 1.239 100 D CA 0.405 54.440 54.000 0.059 0.000 0.925 100 D CB 1.055 41.874 40.800 0.031 0.000 1.145 100 D HN 0.299 nan 8.370 nan 0.000 0.542 101 G N 1.794 110.607 108.800 0.022 0.000 3.255 101 G HA2 0.308 4.268 3.960 -0.000 0.000 0.673 101 G HA3 0.308 4.268 3.960 -0.000 0.000 0.673 101 G C 0.516 175.384 174.900 -0.054 0.000 0.995 101 G CA 0.108 45.201 45.100 -0.010 0.000 0.988 101 G HN 1.046 nan 8.290 nan 0.000 0.540 102 G N -0.270 108.512 108.800 -0.029 0.000 2.814 102 G HA2 0.346 4.306 3.960 -0.000 0.000 0.677 102 G HA3 0.346 4.306 3.960 -0.000 0.000 0.677 102 G C 0.491 175.236 174.900 -0.259 0.000 1.429 102 G CA 0.356 45.389 45.100 -0.111 0.000 0.868 102 G HN 2.572 nan 8.290 nan 0.000 0.553 103 V N -1.446 118.245 119.914 -0.373 0.000 2.863 103 V HA 0.765 4.885 4.120 -0.000 0.000 0.307 103 V C 0.700 176.666 176.094 -0.213 0.000 1.061 103 V CA -1.273 60.795 62.300 -0.387 0.000 1.024 103 V CB 1.145 32.697 31.823 -0.452 0.000 1.049 103 V HN 0.910 nan 8.190 nan 0.000 0.471 104 Y N 0.604 120.836 120.300 -0.113 0.000 2.330 104 Y HA 0.261 4.811 4.550 -0.000 0.000 0.341 104 Y C 0.952 176.839 175.900 -0.022 0.000 1.278 104 Y CA 0.670 58.745 58.100 -0.041 0.000 1.453 104 Y CB 0.357 38.839 38.460 0.037 0.000 1.342 104 Y HN 0.947 nan 8.280 nan 0.000 0.590 105 D N 1.243 121.753 120.400 0.185 0.000 2.487 105 D HA -0.079 4.561 4.640 -0.000 0.000 0.243 105 D C 1.104 177.500 176.300 0.160 0.000 1.154 105 D CA 0.334 54.410 54.000 0.127 0.000 0.876 105 D CB 0.610 41.481 40.800 0.119 0.000 1.161 105 D HN 0.670 nan 8.370 nan 0.000 0.478 106 E N 3.066 123.321 120.200 0.093 0.000 2.085 106 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 106 E C 1.255 177.892 176.600 0.061 0.000 0.994 106 E CA 1.303 57.745 56.400 0.070 0.000 0.801 106 E CB 0.045 29.772 29.700 0.045 0.000 0.743 106 E HN 0.726 nan 8.360 nan 0.000 0.453 107 D N -0.531 119.910 120.400 0.068 0.000 2.144 107 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 107 D C 1.902 178.235 176.300 0.056 0.000 0.978 107 D CA 0.968 54.996 54.000 0.047 0.000 0.833 107 D CB -0.283 40.547 40.800 0.050 0.000 0.961 107 D HN 0.307 nan 8.370 nan 0.000 0.470 108 Y N 1.527 121.829 120.300 0.004 0.000 2.097 108 Y HA -0.225 4.325 4.550 -0.000 0.000 0.282 108 Y C 2.327 178.208 175.900 -0.031 0.000 1.152 108 Y CA 1.580 59.678 58.100 -0.003 0.000 1.136 108 Y CB -0.573 37.903 38.460 0.026 0.000 0.975 108 Y HN -0.159 nan 8.280 nan 0.000 0.498 109 V N 0.521 120.424 119.914 -0.019 0.000 2.343 109 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 109 V C 2.356 178.344 176.094 -0.176 0.000 1.051 109 V CA 2.196 64.404 62.300 -0.155 0.000 1.036 109 V CB -0.899 30.903 31.823 -0.034 0.000 0.654 109 V HN 0.391 nan 8.190 nan 0.000 0.451 110 Q N 0.627 120.363 119.800 -0.107 0.000 2.170 110 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 110 Q C 2.194 178.115 176.000 -0.133 0.000 0.976 110 Q CA 1.906 57.648 55.803 -0.102 0.000 0.858 110 Q CB -0.401 28.296 28.738 -0.068 0.000 0.907 110 Q HN 0.613 nan 8.270 nan 0.000 0.433 111 K N -0.858 119.440 120.400 -0.169 0.000 2.155 111 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 111 K C 1.771 178.245 176.600 -0.211 0.000 1.052 111 K CA 0.688 56.872 56.287 -0.171 0.000 0.948 111 K CB 0.137 32.537 32.500 -0.167 0.000 0.728 111 K HN 0.054 nan 8.250 nan 0.000 0.448 112 R N 0.763 121.071 120.500 -0.319 0.000 2.096 112 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 112 R C 2.211 178.413 176.300 -0.163 0.000 1.127 112 R CA 1.040 56.973 56.100 -0.278 0.000 0.968 112 R CB -0.765 29.318 30.300 -0.361 0.000 0.861 112 R HN 0.330 nan 8.270 nan 0.000 0.440 113 I N 0.918 121.399 120.570 -0.148 0.000 2.226 113 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 113 I C 2.080 178.147 176.117 -0.083 0.000 1.100 113 I CA 1.304 62.544 61.300 -0.100 0.000 1.374 113 I CB -0.260 37.680 38.000 -0.099 0.000 1.057 113 I HN 0.218 nan 8.210 nan 0.000 0.413 114 E N 0.461 120.606 120.200 -0.091 0.000 2.077 114 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 114 E C 2.111 178.673 176.600 -0.064 0.000 0.989 114 E CA 1.122 57.478 56.400 -0.074 0.000 0.800 114 E CB -0.143 29.513 29.700 -0.074 0.000 0.746 114 E HN 0.271 nan 8.360 nan 0.000 0.452 115 L N 0.965 122.144 121.223 -0.072 0.000 2.046 115 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 115 L C 2.202 179.052 176.870 -0.034 0.000 1.077 115 L CA 2.013 56.819 54.840 -0.056 0.000 0.747 115 L CB -0.653 41.365 42.059 -0.067 0.000 0.896 115 L HN 0.039 nan 8.230 nan 0.000 0.432 116 A N -0.972 121.830 122.820 -0.031 0.000 1.902 116 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 116 A C 2.003 179.590 177.584 0.005 0.000 1.181 116 A CA 1.890 53.931 52.037 0.007 0.000 0.623 116 A CB -0.799 18.206 19.000 0.010 0.000 0.818 116 A HN 0.513 nan 8.150 nan 0.000 0.443 117 D N -0.683 119.699 120.400 -0.032 0.000 2.117 117 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 117 D C 2.316 178.602 176.300 -0.024 0.000 0.982 117 D CA 1.569 55.544 54.000 -0.043 0.000 0.828 117 D CB -0.308 40.457 40.800 -0.059 0.000 0.967 117 D HN 0.442 nan 8.370 nan 0.000 0.464 118 S N -0.204 115.481 115.700 -0.026 0.000 2.382 118 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 118 S C 2.108 176.702 174.600 -0.011 0.000 1.027 118 S CA 0.924 59.110 58.200 -0.024 0.000 0.991 118 S CB -0.261 62.919 63.200 -0.033 0.000 0.823 118 S HN 0.043 nan 8.310 nan 0.000 0.469 119 V N 1.778 121.693 119.914 0.001 0.000 2.343 119 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 119 V C 2.627 178.745 176.094 0.040 0.000 1.051 119 V CA 2.254 64.562 62.300 0.013 0.000 1.036 119 V CB -0.802 31.036 31.823 0.026 0.000 0.654 119 V HN 0.641 nan 8.190 nan 0.000 0.451 120 E N 0.109 120.356 120.200 0.079 0.000 2.110 120 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 120 E C 2.139 178.772 176.600 0.054 0.000 0.988 120 E CA 1.572 58.045 56.400 0.122 0.000 0.804 120 E CB -0.050 29.740 29.700 0.149 0.000 0.745 120 E HN 0.726 nan 8.360 nan 0.000 0.458 121 E N 0.044 120.254 120.200 0.017 0.000 2.077 121 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 121 E C 2.157 178.754 176.600 -0.006 0.000 0.989 121 E CA 1.326 57.725 56.400 -0.002 0.000 0.800 121 E CB -0.119 29.571 29.700 -0.016 0.000 0.746 121 E HN 0.369 nan 8.360 nan 0.000 0.452 122 M N 0.325 119.920 119.600 -0.008 0.000 2.213 122 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 122 M C 2.396 178.689 176.300 -0.012 0.000 1.062 122 M CA 1.433 56.724 55.300 -0.015 0.000 1.105 122 M CB -0.302 32.285 32.600 -0.023 0.000 1.385 122 M HN 0.219 nan 8.290 nan 0.000 0.417 123 G N 0.078 108.878 108.800 0.000 0.000 2.422 123 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 123 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 123 G C 1.306 176.199 174.900 -0.011 0.000 1.146 123 G CA 0.793 45.890 45.100 -0.004 0.000 0.769 123 G HN 0.490 nan 8.290 nan 0.000 0.547 124 E N 0.312 120.511 120.200 -0.002 0.000 2.072 124 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 124 E C 2.516 179.100 176.600 -0.026 0.000 0.985 124 E CA 0.867 57.260 56.400 -0.012 0.000 0.801 124 E CB -0.055 29.642 29.700 -0.005 0.000 0.750 124 E HN 0.372 nan 8.360 nan 0.000 0.452 125 K N 0.466 120.852 120.400 -0.024 0.000 2.097 125 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 125 K C 2.221 178.799 176.600 -0.037 0.000 1.049 125 K CA 0.828 57.097 56.287 -0.030 0.000 0.933 125 K CB -0.141 32.343 32.500 -0.026 0.000 0.717 125 K HN 0.047 nan 8.250 nan 0.000 0.442 126 L N 0.823 122.025 121.223 -0.035 0.000 2.056 126 L HA -0.126 4.213 4.340 -0.000 0.000 0.207 126 L C 2.325 179.162 176.870 -0.054 0.000 1.078 126 L CA 1.730 56.546 54.840 -0.040 0.000 0.749 126 L CB -0.791 41.249 42.059 -0.033 0.000 0.901 126 L HN 0.025 nan 8.230 nan 0.000 0.433 127 S N -0.515 115.151 115.700 -0.056 0.000 2.387 127 S HA -0.217 4.253 4.470 -0.000 0.000 0.230 127 S C 2.144 176.697 174.600 -0.079 0.000 1.035 127 S CA 1.283 59.440 58.200 -0.072 0.000 1.014 127 S CB -0.549 62.608 63.200 -0.072 0.000 0.836 127 S HN 0.687 nan 8.310 nan 0.000 0.466 128 A N 0.401 123.180 122.820 -0.069 0.000 2.070 128 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 128 A C 2.257 179.787 177.584 -0.089 0.000 1.159 128 A CA 2.044 54.038 52.037 -0.072 0.000 0.656 128 A CB -1.108 17.857 19.000 -0.058 0.000 0.800 128 A HN 0.772 nan 8.150 nan 0.000 0.453 129 T N -2.400 112.097 114.554 -0.095 0.000 3.107 129 T HA 0.414 4.764 4.350 -0.000 0.000 0.249 129 T C 0.511 175.087 174.700 -0.205 0.000 1.096 129 T CA -0.287 61.735 62.100 -0.130 0.000 1.012 129 T CB -0.524 68.282 68.868 -0.102 0.000 0.977 129 T HN 0.228 nan 8.240 nan 0.000 0.527 130 L N 1.646 122.768 121.223 -0.168 0.000 2.453 130 L HA 0.383 4.723 4.340 -0.000 0.000 0.261 130 L C 0.351 177.075 176.870 -0.244 0.000 1.179 130 L CA -0.964 53.766 54.840 -0.183 0.000 0.813 130 L CB 0.190 42.200 42.059 -0.081 0.000 1.110 130 L HN 0.258 nan 8.230 nan 0.000 0.466 131 H N 0.357 119.417 119.070 -0.016 0.000 2.732 131 H HA 0.103 4.659 4.556 -0.000 0.000 0.351 131 H C 0.837 176.162 175.328 -0.004 0.000 1.090 131 H CA 0.321 56.363 56.048 -0.009 0.000 1.431 131 H CB 1.133 30.892 29.762 -0.006 0.000 1.447 131 H HN 0.733 nan 8.280 nan 0.000 0.582 132 A N 2.256 125.146 122.820 0.117 0.000 2.024 132 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 132 A C 2.249 179.891 177.584 0.097 0.000 1.164 132 A CA 1.683 53.768 52.037 0.080 0.000 0.643 132 A CB -0.847 18.194 19.000 0.068 0.000 0.806 132 A HN 0.765 nan 8.150 nan 0.000 0.451 133 S N -1.735 114.029 115.700 0.107 0.000 2.507 133 S HA 0.263 4.733 4.470 -0.000 0.000 0.235 133 S C 1.615 176.271 174.600 0.094 0.000 0.988 133 S CA 1.233 59.480 58.200 0.079 0.000 0.944 133 S CB -0.609 62.611 63.200 0.033 0.000 0.762 133 S HN 1.946 nan 8.310 nan 0.000 0.526 134 G N 2.539 111.399 108.800 0.099 0.000 2.179 134 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.260 134 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.260 134 G C 0.914 175.860 174.900 0.076 0.000 0.977 134 G CA 0.441 45.593 45.100 0.087 0.000 0.641 134 G HN 0.791 nan 8.290 nan 0.000 0.533 135 R N 0.519 121.061 120.500 0.069 0.000 2.241 135 R HA 0.038 4.378 4.340 -0.000 0.000 0.224 135 R C 1.347 177.678 176.300 0.053 0.000 1.101 135 R CA 2.017 58.143 56.100 0.043 0.000 0.995 135 R CB -0.372 29.927 30.300 -0.002 0.000 0.870 135 R HN 0.431 nan 8.270 nan 0.000 0.463 136 D N -0.831 119.620 120.400 0.084 0.000 2.440 136 D HA 0.074 4.714 4.640 -0.000 0.000 0.216 136 D C -0.340 175.979 176.300 0.030 0.000 1.150 136 D CA -0.589 53.453 54.000 0.070 0.000 0.832 136 D CB 0.003 40.879 40.800 0.127 0.000 0.992 136 D HN 0.055 nan 8.370 nan 0.000 0.502 137 D N 1.098 121.511 120.400 0.021 0.000 2.362 137 D HA 0.291 4.931 4.640 -0.000 0.000 0.238 137 D C 0.350 176.640 176.300 -0.016 0.000 1.212 137 D CA 0.196 54.189 54.000 -0.012 0.000 0.902 137 D CB 0.550 41.343 40.800 -0.011 0.000 1.180 137 D HN 0.274 nan 8.370 nan 0.000 0.445 138 M N -1.149 118.427 119.600 -0.040 0.000 2.773 138 M HA 0.381 4.861 4.480 -0.000 0.000 0.270 138 M C -0.754 175.505 176.300 -0.068 0.000 1.238 138 M CA -0.993 54.282 55.300 -0.041 0.000 0.832 138 M CB 1.501 34.079 32.600 -0.037 0.000 1.672 138 M HN 0.269 nan 8.290 nan 0.000 0.480 139 S N 0.323 115.982 115.700 -0.069 0.000 2.614 139 S HA 0.404 4.874 4.470 -0.000 0.000 0.265 139 S C 0.901 175.423 174.600 -0.131 0.000 1.303 139 S CA -0.726 57.415 58.200 -0.098 0.000 1.000 139 S CB 0.614 63.765 63.200 -0.082 0.000 0.935 139 S HN 0.747 nan 8.310 nan 0.000 0.551 140 I N 0.677 121.132 120.570 -0.192 0.000 2.286 140 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 140 I C 2.328 178.314 176.117 -0.219 0.000 1.115 140 I CA 0.947 62.092 61.300 -0.259 0.000 1.392 140 I CB -0.450 37.273 38.000 -0.462 0.000 1.065 140 I HN 0.632 nan 8.210 nan 0.000 0.418 141 L N 1.345 122.461 121.223 -0.179 0.000 2.046 141 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 141 L C 2.566 179.392 176.870 -0.074 0.000 1.077 141 L CA 2.119 56.888 54.840 -0.117 0.000 0.747 141 L CB -0.779 41.232 42.059 -0.080 0.000 0.896 141 L HN 0.171 nan 8.230 nan 0.000 0.432 142 A N -0.490 122.290 122.820 -0.067 0.000 1.940 142 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 142 A C 2.369 179.932 177.584 -0.035 0.000 1.176 142 A CA 2.108 54.120 52.037 -0.041 0.000 0.631 142 A CB -0.765 18.213 19.000 -0.037 0.000 0.814 142 A HN 0.591 nan 8.150 nan 0.000 0.446 143 M N -0.286 119.281 119.600 -0.055 0.000 2.175 143 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 143 M C 2.035 178.317 176.300 -0.030 0.000 1.063 143 M CA 1.975 57.249 55.300 -0.043 0.000 1.119 143 M CB -0.857 31.705 32.600 -0.064 0.000 1.377 143 M HN 0.586 nan 8.290 nan 0.000 0.415 144 Q N -0.315 119.458 119.800 -0.045 0.000 2.084 144 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 144 Q C 2.124 178.125 176.000 0.000 0.000 0.978 144 Q CA 1.551 57.342 55.803 -0.021 0.000 0.844 144 Q CB -0.186 28.535 28.738 -0.028 0.000 0.898 144 Q HN 0.564 nan 8.270 nan 0.000 0.426 145 R N 0.212 120.714 120.500 0.004 0.000 2.081 145 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 145 R C 2.327 178.670 176.300 0.071 0.000 1.131 145 R CA 1.096 57.214 56.100 0.030 0.000 0.960 145 R CB -0.433 29.878 30.300 0.019 0.000 0.856 145 R HN 0.193 nan 8.270 nan 0.000 0.436 146 L N 1.517 122.775 121.223 0.059 0.000 2.056 146 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 146 L C 1.403 178.343 176.870 0.116 0.000 1.078 146 L CA 1.810 56.717 54.840 0.111 0.000 0.749 146 L CB -0.427 41.665 42.059 0.055 0.000 0.901 146 L HN 0.075 nan 8.230 nan 0.000 0.433 147 N N -0.129 118.582 118.700 0.017 0.000 2.354 147 N HA -0.095 4.645 4.740 -0.000 0.000 0.179 147 N C 1.316 176.743 175.510 -0.138 0.000 1.021 147 N CA 1.106 54.119 53.050 -0.063 0.000 0.887 147 N CB -0.018 38.443 38.487 -0.044 0.000 0.974 147 N HN 0.582 nan 8.380 nan 0.000 0.437 148 E N -0.436 119.728 120.200 -0.059 0.000 2.481 148 E HA 0.093 4.443 4.350 -0.000 0.000 0.198 148 E C -0.743 175.859 176.600 0.002 0.000 1.027 148 E CA -0.143 56.216 56.400 -0.068 0.000 0.900 148 E CB 0.013 29.709 29.700 -0.006 0.000 0.993 148 E HN 0.434 nan 8.360 nan 0.000 0.482 149 H N 0.713 119.780 119.070 -0.004 0.000 2.672 149 H HA -0.146 4.410 4.556 -0.000 0.000 0.325 149 H C -0.422 174.905 175.328 -0.002 0.000 1.158 149 H CA -0.102 55.944 56.048 -0.003 0.000 1.134 149 H CB -0.921 28.840 29.762 -0.003 0.000 1.553 149 H HN 0.140 nan 8.280 nan 0.000 0.419 150 Q N 0.059 119.926 119.800 0.111 0.000 2.501 150 Q HA 0.221 4.561 4.340 -0.000 0.000 0.288 150 Q C -2.056 173.966 176.000 0.037 0.000 1.051 150 Q CA -1.764 54.075 55.803 0.060 0.000 0.788 150 Q CB 2.015 30.780 28.738 0.045 0.000 1.469 150 Q HN 0.106 nan 8.270 nan 0.000 0.416 151 P HA 0.018 nan 4.420 nan 0.000 0.253 151 P C -0.713 176.594 177.300 0.013 0.000 1.260 151 P CA 0.571 63.678 63.100 0.013 0.000 0.800 151 P CB 0.276 31.981 31.700 0.009 0.000 1.162 152 N N -2.431 116.279 118.700 0.017 0.000 2.825 152 N HA 0.503 5.243 4.740 -0.000 0.000 0.253 152 N C -0.122 175.398 175.510 0.016 0.000 1.426 152 N CA -0.922 52.136 53.050 0.014 0.000 0.851 152 N CB 0.366 38.862 38.487 0.015 0.000 1.470 152 N HN -0.184 nan 8.380 nan 0.000 0.517 153 G N -1.021 107.787 108.800 0.013 0.000 2.543 153 G HA2 0.526 4.486 3.960 -0.000 0.000 0.267 153 G HA3 0.526 4.486 3.960 -0.000 0.000 0.267 153 G C -2.452 172.464 174.900 0.028 0.000 1.406 153 G CA -1.658 43.451 45.100 0.016 0.000 1.048 153 G HN 0.513 nan 8.290 nan 0.000 0.548 154 P HA 0.218 nan 4.420 nan 0.000 0.261 154 P C 0.023 177.349 177.300 0.043 0.000 1.173 154 P CA 1.005 64.132 63.100 0.046 0.000 0.760 154 P CB 1.250 32.992 31.700 0.071 0.000 0.783 155 A N 1.856 124.698 122.820 0.037 0.000 2.591 155 A HA 0.183 4.503 4.320 -0.000 0.000 0.204 155 A C 0.736 178.339 177.584 0.032 0.000 1.410 155 A CA 0.285 52.342 52.037 0.033 0.000 1.065 155 A CB -0.387 18.630 19.000 0.028 0.000 1.362 155 A HN 0.498 nan 8.150 nan 0.000 0.566 156 T N -2.383 112.191 114.554 0.034 0.000 2.849 156 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 156 T C -1.774 172.943 174.700 0.028 0.000 1.004 156 T CA -1.209 60.913 62.100 0.037 0.000 1.021 156 T CB 1.061 69.959 68.868 0.051 0.000 1.013 156 T HN -0.107 nan 8.240 nan 0.000 0.527 157 P HA -0.092 nan 4.420 nan 0.000 0.215 157 P C 1.776 179.067 177.300 -0.014 0.000 1.153 157 P CA 0.414 63.523 63.100 0.015 0.000 0.853 157 P CB -0.141 31.578 31.700 0.032 0.000 0.788 158 V N 0.081 119.960 119.914 -0.057 0.000 2.358 158 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 158 V C 1.711 177.756 176.094 -0.083 0.000 1.047 158 V CA 2.229 64.426 62.300 -0.171 0.000 1.035 158 V CB -1.063 30.514 31.823 -0.411 0.000 0.658 158 V HN -0.015 nan 8.190 nan 0.000 0.452 159 D N -0.340 120.039 120.400 -0.036 0.000 2.144 159 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 159 D C 2.182 178.506 176.300 0.038 0.000 0.984 159 D CA 1.766 55.761 54.000 -0.008 0.000 0.834 159 D CB -0.236 40.568 40.800 0.007 0.000 0.955 159 D HN 0.447 nan 8.370 nan 0.000 0.465 160 M N -0.066 119.561 119.600 0.045 0.000 2.117 160 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 160 M C 2.371 178.746 176.300 0.125 0.000 1.065 160 M CA 0.778 56.129 55.300 0.085 0.000 1.114 160 M CB -0.162 32.477 32.600 0.066 0.000 1.361 160 M HN -0.102 nan 8.290 nan 0.000 0.408 161 V N -0.084 119.878 119.914 0.079 0.000 2.548 161 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 161 V C 2.115 178.311 176.094 0.170 0.000 1.055 161 V CA 1.251 63.618 62.300 0.111 0.000 1.065 161 V CB 0.062 31.917 31.823 0.053 0.000 0.681 161 V HN 0.245 nan 8.190 nan 0.000 0.462 162 V N 0.242 120.219 119.914 0.105 0.000 2.358 162 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 162 V C 2.308 178.506 176.094 0.173 0.000 1.047 162 V CA 2.416 64.784 62.300 0.113 0.000 1.035 162 V CB -0.630 31.206 31.823 0.023 0.000 0.658 162 V HN 0.682 nan 8.190 nan 0.000 0.452 163 D N -1.063 119.442 120.400 0.174 0.000 2.123 163 D HA -0.252 4.388 4.640 -0.000 0.000 0.196 163 D C 1.996 178.460 176.300 0.274 0.000 0.992 163 D CA 1.529 55.675 54.000 0.245 0.000 0.833 163 D CB -0.203 40.738 40.800 0.235 0.000 0.954 163 D HN 0.528 nan 8.370 nan 0.000 0.455 164 Y N -0.601 119.781 120.300 0.137 0.000 2.181 164 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 164 Y C 2.095 178.036 175.900 0.069 0.000 1.146 164 Y CA 1.908 60.078 58.100 0.117 0.000 1.164 164 Y CB -0.582 37.931 38.460 0.089 0.000 0.982 164 Y HN 0.143 nan 8.280 nan 0.000 0.515 165 Y N 0.825 121.207 120.300 0.136 0.000 2.242 165 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 165 Y C 2.006 177.822 175.900 -0.141 0.000 1.137 165 Y CA 1.906 59.996 58.100 -0.016 0.000 1.181 165 Y CB -0.377 38.045 38.460 -0.063 0.000 0.989 165 Y HN -0.016 nan 8.280 nan 0.000 0.527 166 K N -1.146 118.990 120.400 -0.441 0.000 2.217 166 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 166 K C 1.003 177.015 176.600 -0.980 0.000 1.051 166 K CA 1.471 57.244 56.287 -0.856 0.000 0.952 166 K CB -0.045 31.939 32.500 -0.861 0.000 0.736 166 K HN 0.362 nan 8.250 nan 0.000 0.453 167 F N -0.441 119.346 119.950 -0.272 0.000 2.463 167 F HA 0.075 4.602 4.527 -0.000 0.000 0.271 167 F C 1.434 177.073 175.800 -0.268 0.000 0.888 167 F CA -0.370 57.503 58.000 -0.212 0.000 1.149 167 F CB 0.048 39.060 39.000 0.020 0.000 1.071 167 F HN -0.182 nan 8.300 nan 0.000 0.802 168 D N -0.035 120.305 120.400 -0.100 0.000 2.149 168 D HA -0.232 4.408 4.640 -0.000 0.000 0.198 168 D C 1.653 177.789 176.300 -0.273 0.000 0.990 168 D CA 1.269 55.087 54.000 -0.303 0.000 0.839 168 D CB -0.473 39.788 40.800 -0.900 0.000 0.948 168 D HN 0.247 nan 8.370 nan 0.000 0.460 169 Y N 0.841 120.856 120.300 -0.475 0.000 2.497 169 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 169 Y C 1.926 177.718 175.900 -0.181 0.000 1.137 169 Y CA 0.964 58.923 58.100 -0.235 0.000 1.285 169 Y CB 0.129 38.425 38.460 -0.275 0.000 0.991 169 Y HN -0.124 nan 8.280 nan 0.000 0.556 170 E N -1.073 118.870 120.200 -0.429 0.000 2.132 170 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 170 E C 1.441 177.761 176.600 -0.466 0.000 0.951 170 E CA 1.098 57.098 56.400 -0.666 0.000 0.843 170 E CB -0.528 28.528 29.700 -1.073 0.000 0.807 170 E HN 0.389 nan 8.360 nan 0.000 0.467 171 F N -0.306 119.681 119.950 0.061 0.000 2.714 171 F HA 0.380 4.907 4.527 -0.000 0.000 0.294 171 F C 1.350 177.311 175.800 0.267 0.000 1.120 171 F CA 0.193 58.285 58.000 0.155 0.000 1.398 171 F CB 0.489 39.549 39.000 0.101 0.000 1.120 171 F HN 0.120 nan 8.300 nan 0.000 0.589 172 A N 0.408 123.425 122.820 0.328 0.000 3.021 172 A HA -0.226 4.094 4.320 -0.000 0.000 0.257 172 A C 0.178 177.816 177.584 0.090 0.000 1.277 172 A CA 1.164 53.326 52.037 0.209 0.000 1.012 172 A CB -2.144 16.941 19.000 0.142 0.000 1.147 172 A HN 0.486 nan 8.150 nan 0.000 0.861 173 E N -1.349 118.920 120.200 0.115 0.000 2.433 173 E HA 0.532 4.882 4.350 -0.000 0.000 0.278 173 E C -3.106 173.531 176.600 0.062 0.000 0.976 173 E CA -2.381 54.050 56.400 0.053 0.000 0.793 173 E CB 1.894 31.607 29.700 0.022 0.000 1.311 173 E HN 0.157 nan 8.360 nan 0.000 0.460 174 P HA 0.110 nan 4.420 nan 0.000 0.274 174 P C -2.184 175.111 177.300 -0.008 0.000 1.237 174 P CA -1.220 61.901 63.100 0.035 0.000 0.793 174 P CB 0.217 31.938 31.700 0.034 0.000 0.977 175 P HA -0.151 nan 4.420 nan 0.000 0.218 175 P C 1.230 178.440 177.300 -0.150 0.000 1.148 175 P CA 1.541 64.519 63.100 -0.204 0.000 0.822 175 P CB -0.165 31.319 31.700 -0.360 0.000 0.784 176 R N -1.016 119.431 120.500 -0.088 0.000 2.285 176 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 176 R C 1.192 177.455 176.300 -0.061 0.000 1.068 176 R CA 1.034 57.092 56.100 -0.070 0.000 1.004 176 R CB -1.041 29.235 30.300 -0.041 0.000 0.873 176 R HN 0.087 nan 8.270 nan 0.000 0.467 177 V N 0.656 120.534 119.914 -0.061 0.000 3.565 177 V HA 0.033 4.153 4.120 -0.000 0.000 0.260 177 V C 0.464 176.511 176.094 -0.079 0.000 1.231 177 V CA 0.735 63.001 62.300 -0.056 0.000 1.100 177 V CB 0.698 32.493 31.823 -0.046 0.000 0.807 177 V HN 0.281 nan 8.190 nan 0.000 0.454 178 T N 1.096 115.583 114.554 -0.111 0.000 2.856 178 T HA 0.205 4.555 4.350 -0.000 0.000 0.292 178 T C 0.306 174.903 174.700 -0.172 0.000 0.980 178 T CA 0.227 62.231 62.100 -0.160 0.000 1.091 178 T CB 1.313 70.051 68.868 -0.217 0.000 0.936 178 T HN 0.295 nan 8.240 nan 0.000 0.503 179 S N 2.489 118.089 115.700 -0.166 0.000 2.525 179 S HA 0.048 4.518 4.470 -0.000 0.000 0.285 179 S C 1.255 175.697 174.600 -0.264 0.000 1.283 179 S CA -0.781 57.304 58.200 -0.192 0.000 1.072 179 S CB -0.026 63.011 63.200 -0.271 0.000 0.867 179 S HN 0.623 nan 8.310 nan 0.000 0.492 180 L N 5.615 126.716 121.223 -0.203 0.000 2.027 180 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 180 L C 2.560 179.301 176.870 -0.215 0.000 1.074 180 L CA 2.098 56.824 54.840 -0.189 0.000 0.745 180 L CB -1.000 40.978 42.059 -0.134 0.000 0.898 180 L HN 0.947 nan 8.230 nan 0.000 0.433 181 Q N -0.476 119.189 119.800 -0.225 0.000 2.152 181 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 181 Q C 1.019 176.798 176.000 -0.369 0.000 0.985 181 Q CA 1.894 57.552 55.803 -0.241 0.000 0.863 181 Q CB -0.045 28.570 28.738 -0.204 0.000 0.904 181 Q HN 0.622 nan 8.270 nan 0.000 0.422 182 N N -0.712 117.632 118.700 -0.593 0.000 2.268 182 N HA 0.007 4.747 4.740 -0.000 0.000 0.204 182 N C 0.357 175.531 175.510 -0.560 0.000 1.124 182 N CA 1.011 53.548 53.050 -0.856 0.000 0.838 182 N CB 1.140 38.394 38.487 -2.056 0.000 0.994 182 N HN 0.382 nan 8.380 nan 0.000 0.489 183 T N -4.561 109.778 114.554 -0.358 0.000 3.073 183 T HA 0.195 4.545 4.350 -0.000 0.000 0.264 183 T C 0.141 174.831 174.700 -0.017 0.000 0.893 183 T CA -0.041 61.918 62.100 -0.235 0.000 0.863 183 T CB 0.460 69.005 68.868 -0.539 0.000 1.247 183 T HN -0.203 nan 8.240 nan 0.000 0.546 184 V N 4.691 124.576 119.914 -0.049 0.000 2.409 184 V HA 0.552 4.672 4.120 -0.000 0.000 0.290 184 V C -2.518 173.569 176.094 -0.012 0.000 1.017 184 V CA -2.046 60.277 62.300 0.039 0.000 0.841 184 V CB 2.232 34.083 31.823 0.048 0.000 1.003 184 V HN 0.235 nan 8.190 nan 0.000 0.426 185 P HA 0.328 nan 4.420 nan 0.000 0.276 185 P C -1.001 176.339 177.300 0.068 0.000 1.261 185 P CA -0.569 62.560 63.100 0.050 0.000 0.800 185 P CB 1.771 33.485 31.700 0.024 0.000 1.066 186 L N 0.921 122.239 121.223 0.158 0.000 2.282 186 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 186 L C 1.552 178.491 176.870 0.115 0.000 1.033 186 L CA -0.405 54.548 54.840 0.189 0.000 0.807 186 L CB 0.664 42.961 42.059 0.396 0.000 1.209 186 L HN 0.541 nan 8.230 nan 0.000 0.423 187 A N 3.117 125.962 122.820 0.040 0.000 1.917 187 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 187 A C 1.940 179.500 177.584 -0.040 0.000 1.182 187 A CA 2.463 54.481 52.037 -0.031 0.000 0.633 187 A CB -0.903 18.023 19.000 -0.123 0.000 0.819 187 A HN 0.873 nan 8.150 nan 0.000 0.448 188 T N -0.513 114.027 114.554 -0.024 0.000 2.635 188 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 188 T C 1.480 175.891 174.700 -0.481 0.000 1.040 188 T CA 2.051 63.953 62.100 -0.330 0.000 1.156 188 T CB -0.470 67.943 68.868 -0.758 0.000 0.863 188 T HN 0.523 nan 8.240 nan 0.000 0.430 189 F N 1.121 121.027 119.950 -0.073 0.000 2.335 189 F HA 0.061 4.588 4.527 -0.000 0.000 0.296 189 F C 2.839 178.591 175.800 -0.080 0.000 1.091 189 F CA 0.345 58.303 58.000 -0.071 0.000 1.399 189 F CB -0.465 38.497 39.000 -0.064 0.000 1.067 189 F HN 0.040 nan 8.300 nan 0.000 0.520 190 S N 0.016 115.752 115.700 0.060 0.000 2.382 190 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 190 S C 1.383 175.932 174.600 -0.085 0.000 1.027 190 S CA 1.627 59.822 58.200 -0.007 0.000 0.991 190 S CB -0.282 62.898 63.200 -0.034 0.000 0.823 190 S HN 0.348 nan 8.310 nan 0.000 0.469 191 D N 0.331 120.597 120.400 -0.223 0.000 2.201 191 D HA 0.125 4.765 4.640 -0.000 0.000 0.209 191 D C 1.233 177.387 176.300 -0.244 0.000 0.961 191 D CA 0.784 54.576 54.000 -0.347 0.000 0.861 191 D CB -0.221 40.148 40.800 -0.719 0.000 0.997 191 D HN 0.464 nan 8.370 nan 0.000 0.486 192 F N 0.237 120.122 119.950 -0.109 0.000 2.695 192 F HA 0.377 4.904 4.527 -0.000 0.000 0.303 192 F C 1.196 176.933 175.800 -0.104 0.000 1.091 192 F CA -0.029 57.876 58.000 -0.159 0.000 1.300 192 F CB 0.960 39.761 39.000 -0.332 0.000 1.071 192 F HN -0.066 nan 8.300 nan 0.000 0.578 193 G N 0.725 109.597 108.800 0.120 0.000 2.576 193 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 193 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 193 G C -0.534 174.490 174.900 0.207 0.000 1.242 193 G CA -0.769 44.401 45.100 0.116 0.000 0.819 193 G HN 0.016 nan 8.290 nan 0.000 0.655 194 D N 0.056 120.547 120.400 0.152 0.000 2.317 194 D HA 0.046 4.686 4.640 -0.000 0.000 0.211 194 D C 0.805 177.175 176.300 0.116 0.000 0.966 194 D CA 0.848 54.922 54.000 0.123 0.000 0.876 194 D CB 0.157 40.959 40.800 0.003 0.000 0.927 194 D HN 0.470 nan 8.370 nan 0.000 0.519 195 D N 0.191 120.668 120.400 0.127 0.000 2.358 195 D HA 0.221 4.861 4.640 -0.000 0.000 0.244 195 D C 0.485 176.893 176.300 0.180 0.000 1.163 195 D CA -0.216 53.848 54.000 0.107 0.000 0.945 195 D CB 2.083 42.943 40.800 0.101 0.000 1.152 195 D HN -0.111 nan 8.370 nan 0.000 0.451 196 V N -1.312 118.693 119.914 0.152 0.000 2.971 196 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 196 V C -1.750 174.524 176.094 0.300 0.000 1.130 196 V CA -0.825 61.657 62.300 0.304 0.000 0.964 196 V CB 1.628 33.609 31.823 0.264 0.000 1.029 196 V HN 0.379 nan 8.190 nan 0.000 0.427 197 Y N 3.372 123.875 120.300 0.340 0.000 2.361 197 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 197 Y C -0.461 175.662 175.900 0.372 0.000 0.965 197 Y CA -0.924 57.367 58.100 0.317 0.000 1.091 197 Y CB 2.110 40.595 38.460 0.042 0.000 1.182 197 Y HN 0.848 nan 8.280 nan 0.000 0.450 198 F N 4.164 124.266 119.950 0.254 0.000 2.445 198 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 198 F C -0.413 175.379 175.800 -0.014 0.000 1.101 198 F CA -0.649 57.246 58.000 -0.174 0.000 1.177 198 F CB 0.471 39.376 39.000 -0.158 0.000 1.110 198 F HN 0.179 nan 8.300 nan 0.000 0.522 199 V N 6.506 126.210 119.914 -0.350 0.000 2.432 199 V HA 0.476 4.596 4.120 -0.000 0.000 0.271 199 V C 0.247 176.316 176.094 -0.041 0.000 1.046 199 V CA -0.220 61.963 62.300 -0.194 0.000 0.945 199 V CB 0.683 32.227 31.823 -0.464 0.000 0.992 199 V HN 0.890 nan 8.190 nan 0.000 0.471 200 A N 4.246 127.196 122.820 0.217 0.000 3.082 200 A HA 0.534 4.854 4.320 -0.000 0.000 0.328 200 A C -0.531 177.187 177.584 0.224 0.000 1.089 200 A CA -0.438 51.791 52.037 0.320 0.000 0.802 200 A CB 0.164 19.401 19.000 0.395 0.000 1.138 200 A HN 0.719 nan 8.150 nan 0.000 0.474 201 D N 0.647 121.131 120.400 0.141 0.000 2.646 201 D HA 0.218 4.858 4.640 -0.000 0.000 0.245 201 D C 0.297 176.642 176.300 0.076 0.000 1.099 201 D CA -0.363 53.690 54.000 0.088 0.000 0.849 201 D CB 1.631 42.448 40.800 0.028 0.000 1.448 201 D HN 0.230 nan 8.370 nan 0.000 0.489 202 Q N 2.146 121.981 119.800 0.059 0.000 2.291 202 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 202 Q C 1.569 177.569 176.000 0.000 0.000 0.976 202 Q CA 1.000 56.820 55.803 0.027 0.000 0.875 202 Q CB 0.011 28.759 28.738 0.016 0.000 0.927 202 Q HN 0.484 nan 8.270 nan 0.000 0.450 203 R N -0.108 120.393 120.500 0.002 0.000 2.189 203 R HA 0.096 4.436 4.340 -0.000 0.000 0.218 203 R C 0.719 177.024 176.300 0.008 0.000 1.074 203 R CA 0.667 56.758 56.100 -0.015 0.000 0.991 203 R CB -0.035 30.258 30.300 -0.013 0.000 0.883 203 R HN 0.287 nan 8.270 nan 0.000 0.457 204 G N -0.494 108.330 108.800 0.040 0.000 2.705 204 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.686 204 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.686 204 G C -0.084 174.920 174.900 0.174 0.000 1.285 204 G CA -0.250 44.900 45.100 0.084 0.000 0.800 204 G HN 0.338 nan 8.290 nan 0.000 0.611 205 Y N 0.610 120.938 120.300 0.047 0.000 2.333 205 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 205 Y C 2.828 178.796 175.900 0.114 0.000 1.144 205 Y CA 1.840 59.977 58.100 0.063 0.000 1.228 205 Y CB 0.167 38.659 38.460 0.054 0.000 0.985 205 Y HN 0.830 nan 8.280 nan 0.000 0.542 206 E N 0.247 120.623 120.200 0.293 0.000 2.267 206 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 206 E C 2.010 178.832 176.600 0.371 0.000 0.998 206 E CA 0.853 57.422 56.400 0.282 0.000 0.830 206 E CB -0.385 29.527 29.700 0.353 0.000 0.751 206 E HN 0.471 nan 8.360 nan 0.000 0.491 207 A N 1.534 124.534 122.820 0.300 0.000 2.032 207 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 207 A C 2.440 180.202 177.584 0.297 0.000 1.165 207 A CA 1.411 53.611 52.037 0.272 0.000 0.645 207 A CB -0.672 18.407 19.000 0.131 0.000 0.807 207 A HN 0.224 nan 8.150 nan 0.000 0.453 208 V N -0.645 119.425 119.914 0.260 0.000 2.343 208 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 208 V C 2.552 178.804 176.094 0.264 0.000 1.051 208 V CA 1.975 64.411 62.300 0.226 0.000 1.036 208 V CB -0.543 31.399 31.823 0.198 0.000 0.654 208 V HN 0.407 nan 8.190 nan 0.000 0.451 209 V N -1.321 118.722 119.914 0.216 0.000 2.358 209 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 209 V C 2.154 178.311 176.094 0.105 0.000 1.047 209 V CA 1.923 64.304 62.300 0.135 0.000 1.035 209 V CB -0.766 31.083 31.823 0.043 0.000 0.658 209 V HN 0.522 nan 8.190 nan 0.000 0.452 210 Y N -1.002 119.380 120.300 0.136 0.000 2.224 210 Y HA -0.283 4.267 4.550 -0.000 0.000 0.289 210 Y C 2.428 178.396 175.900 0.112 0.000 1.146 210 Y CA 2.333 60.494 58.100 0.101 0.000 1.182 210 Y CB -0.573 37.947 38.460 0.099 0.000 0.983 210 Y HN 0.360 nan 8.280 nan 0.000 0.524 211 Y N 0.128 120.544 120.300 0.194 0.000 2.163 211 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 211 Y C 1.951 177.912 175.900 0.102 0.000 1.136 211 Y CA 1.437 59.607 58.100 0.118 0.000 1.147 211 Y CB -0.628 37.885 38.460 0.089 0.000 0.987 211 Y HN 0.017 nan 8.280 nan 0.000 0.509 212 L N 0.010 121.290 121.223 0.094 0.000 2.046 212 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 212 L C 2.807 179.682 176.870 0.009 0.000 1.077 212 L CA 1.258 56.108 54.840 0.018 0.000 0.747 212 L CB -1.051 41.140 42.059 0.220 0.000 0.896 212 L HN 0.360 nan 8.230 nan 0.000 0.432 213 A N 0.259 123.064 122.820 -0.024 0.000 1.972 213 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 213 A C 2.315 179.666 177.584 -0.389 0.000 1.169 213 A CA 1.569 53.466 52.037 -0.233 0.000 0.635 213 A CB -1.076 17.790 19.000 -0.223 0.000 0.810 213 A HN 0.451 nan 8.150 nan 0.000 0.446 214 G N -1.420 107.255 108.800 -0.208 0.000 2.679 214 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.212 214 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.212 214 G C 1.264 176.049 174.900 -0.191 0.000 1.137 214 G CA 0.391 45.381 45.100 -0.183 0.000 0.787 214 G HN 0.467 nan 8.290 nan 0.000 0.534 215 Q N -0.461 119.224 119.800 -0.192 0.000 2.488 215 Q HA -0.017 4.323 4.340 -0.000 0.000 0.211 215 Q C 1.213 177.254 176.000 0.067 0.000 0.967 215 Q CA 0.819 56.569 55.803 -0.090 0.000 0.926 215 Q CB -0.030 28.661 28.738 -0.077 0.000 0.992 215 Q HN 0.980 nan 8.270 nan 0.000 0.506 216 Y N -4.672 115.581 120.300 -0.080 0.000 2.617 216 Y HA 0.354 4.904 4.550 -0.000 0.000 0.280 216 Y C -0.048 175.826 175.900 -0.044 0.000 1.005 216 Y CA -0.703 57.363 58.100 -0.056 0.000 1.194 216 Y CB 0.352 38.780 38.460 -0.054 0.000 1.405 216 Y HN -0.170 nan 8.280 nan 0.000 0.580 217 L N 2.831 123.716 121.223 -0.564 0.000 2.344 217 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 217 L C -0.163 176.594 176.870 -0.189 0.000 1.035 217 L CA -1.317 53.292 54.840 -0.385 0.000 0.807 217 L CB 1.622 43.370 42.059 -0.519 0.000 1.237 217 L HN 0.078 nan 8.230 nan 0.000 0.442 218 K N 1.042 121.377 120.400 -0.108 0.000 2.322 218 K HA 0.419 4.739 4.320 -0.000 0.000 0.283 218 K C -0.322 176.247 176.600 -0.052 0.000 1.042 218 K CA -0.205 56.045 56.287 -0.063 0.000 0.958 218 K CB 0.480 32.959 32.500 -0.035 0.000 0.984 218 K HN 0.741 nan 8.250 nan 0.000 0.473 219 T N -1.408 113.125 114.554 -0.035 0.000 2.887 219 T HA 0.154 4.504 4.350 -0.000 0.000 0.288 219 T C -0.420 174.276 174.700 -0.007 0.000 1.021 219 T CA -1.131 60.959 62.100 -0.016 0.000 1.000 219 T CB 1.717 70.579 68.868 -0.009 0.000 1.034 219 T HN 0.491 nan 8.240 nan 0.000 0.467 220 D N 0.968 121.368 120.400 0.000 0.000 2.424 220 D HA 0.001 4.641 4.640 -0.000 0.000 0.244 220 D C 0.268 176.569 176.300 0.002 0.000 1.134 220 D CA -0.125 53.876 54.000 0.001 0.000 0.881 220 D CB 1.036 41.838 40.800 0.004 0.000 1.191 220 D HN 0.469 nan 8.370 nan 0.000 0.445 221 D N 3.171 123.572 120.400 0.001 0.000 2.218 221 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 221 D C 1.493 177.794 176.300 0.002 0.000 0.976 221 D CA 1.067 55.068 54.000 0.001 0.000 0.853 221 D CB 0.467 41.267 40.800 0.001 0.000 0.939 221 D HN 0.499 nan 8.370 nan 0.000 0.481 222 K N 0.236 120.637 120.400 0.001 0.000 2.054 222 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 222 K C 2.353 178.953 176.600 -0.000 0.000 1.031 222 K CA 0.972 57.259 56.287 0.000 0.000 0.952 222 K CB -0.220 32.280 32.500 0.000 0.000 0.775 222 K HN 0.015 nan 8.250 nan 0.000 0.447 223 S N -0.037 115.664 115.700 0.001 0.000 2.359 223 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 223 S C 1.777 176.376 174.600 -0.001 0.000 1.035 223 S CA 1.460 59.660 58.200 -0.000 0.000 1.018 223 S CB -0.642 62.560 63.200 0.003 0.000 0.876 223 S HN 0.569 nan 8.310 nan 0.000 0.448 224 G N 0.893 109.695 108.800 0.004 0.000 2.176 224 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 224 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 224 G C -0.004 174.909 174.900 0.021 0.000 0.986 224 G CA 0.161 45.266 45.100 0.009 0.000 0.643 224 G HN 0.658 nan 8.290 nan 0.000 0.522 225 K N 0.258 120.671 120.400 0.021 0.000 2.355 225 K HA 0.429 4.749 4.320 -0.000 0.000 0.270 225 K C 0.778 177.402 176.600 0.039 0.000 1.003 225 K CA -0.271 56.042 56.287 0.043 0.000 0.957 225 K CB 0.907 33.429 32.500 0.037 0.000 0.939 225 K HN 0.296 nan 8.250 nan 0.000 0.482 226 I N 2.596 123.202 120.570 0.059 0.000 2.556 226 I HA -0.094 4.076 4.170 -0.000 0.000 0.284 226 I C 1.101 177.220 176.117 0.004 0.000 1.114 226 I CA 0.072 61.380 61.300 0.014 0.000 1.418 226 I CB 0.691 38.689 38.000 -0.004 0.000 1.394 226 I HN 0.447 nan 8.210 nan 0.000 0.552 227 V N 0.596 120.502 119.914 -0.013 0.000 3.330 227 V HA 0.225 4.345 4.120 -0.000 0.000 0.309 227 V C 0.387 176.471 176.094 -0.017 0.000 1.481 227 V CA -0.447 61.848 62.300 -0.008 0.000 1.068 227 V CB 0.104 31.926 31.823 -0.003 0.000 0.935 227 V HN 0.693 nan 8.190 nan 0.000 0.453 228 D N 3.927 124.307 120.400 -0.034 0.000 2.450 228 D HA 0.147 4.787 4.640 -0.000 0.000 0.247 228 D C -1.125 175.158 176.300 -0.029 0.000 1.162 228 D CA -1.277 52.701 54.000 -0.036 0.000 0.879 228 D CB 2.126 42.888 40.800 -0.063 0.000 1.163 228 D HN 0.237 nan 8.370 nan 0.000 0.472 229 P HA -0.049 nan 4.420 nan 0.000 0.234 229 P C 0.865 178.154 177.300 -0.018 0.000 1.167 229 P CA 0.436 63.530 63.100 -0.011 0.000 0.763 229 P CB 0.298 31.999 31.700 0.001 0.000 0.835 230 R N -0.870 119.617 120.500 -0.022 0.000 2.280 230 R HA 0.061 4.401 4.340 -0.000 0.000 0.207 230 R C 0.686 176.957 176.300 -0.049 0.000 1.043 230 R CA 0.091 56.175 56.100 -0.026 0.000 1.006 230 R CB -0.298 30.000 30.300 -0.004 0.000 0.885 230 R HN 0.176 nan 8.270 nan 0.000 0.467 231 L N 1.406 122.596 121.223 -0.055 0.000 2.287 231 L HA 0.237 4.577 4.340 -0.000 0.000 0.287 231 L C -1.127 175.702 176.870 -0.068 0.000 1.022 231 L CA -0.169 54.629 54.840 -0.070 0.000 0.814 231 L CB 1.562 43.576 42.059 -0.076 0.000 1.217 231 L HN -0.110 nan 8.230 nan 0.000 0.420 232 Q N 6.077 125.823 119.800 -0.091 0.000 2.309 232 Q HA 0.472 4.812 4.340 -0.000 0.000 0.270 232 Q C -1.006 174.941 176.000 -0.088 0.000 1.023 232 Q CA -0.440 55.317 55.803 -0.076 0.000 0.758 232 Q CB 2.402 31.086 28.738 -0.090 0.000 1.247 232 Q HN 0.695 nan 8.270 nan 0.000 0.455 233 L N 1.661 122.845 121.223 -0.065 0.000 2.454 233 L HA 0.370 4.710 4.340 -0.000 0.000 0.256 233 L C 0.799 177.625 176.870 -0.073 0.000 1.136 233 L CA -0.631 54.161 54.840 -0.080 0.000 0.804 233 L CB 0.387 42.417 42.059 -0.048 0.000 1.181 233 L HN 0.662 nan 8.230 nan 0.000 0.469 234 N N 0.018 118.657 118.700 -0.102 0.000 2.747 234 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 234 N C -0.782 174.681 175.510 -0.079 0.000 1.107 234 N CA 0.833 53.834 53.050 -0.082 0.000 0.707 234 N CB -0.824 37.648 38.487 -0.025 0.000 1.054 234 N HN 0.479 nan 8.380 nan 0.000 0.555 235 K N 1.055 121.384 120.400 -0.120 0.000 2.347 235 K HA 0.371 4.691 4.320 -0.000 0.000 0.262 235 K C -0.193 176.326 176.600 -0.134 0.000 1.052 235 K CA -0.424 55.812 56.287 -0.086 0.000 0.946 235 K CB 1.513 33.955 32.500 -0.096 0.000 1.220 235 K HN -0.104 nan 8.250 nan 0.000 0.450 236 V N 4.071 123.927 119.914 -0.096 0.000 2.372 236 V HA 0.102 4.222 4.120 -0.000 0.000 0.261 236 V C 0.576 176.643 176.094 -0.044 0.000 1.055 236 V CA -0.855 61.383 62.300 -0.104 0.000 0.930 236 V CB 1.089 32.919 31.823 0.012 0.000 1.031 236 V HN 0.316 nan 8.190 nan 0.000 0.479 237 V N 7.721 127.591 119.914 -0.073 0.000 2.572 237 V HA 0.221 4.340 4.120 -0.000 0.000 0.291 237 V C 1.204 177.270 176.094 -0.046 0.000 1.039 237 V CA 0.054 62.321 62.300 -0.054 0.000 1.055 237 V CB 0.938 32.709 31.823 -0.087 0.000 0.969 237 V HN 0.823 nan 8.190 nan 0.000 0.482 238 R N 2.642 123.116 120.500 -0.042 0.000 2.469 238 R HA 0.342 4.682 4.340 -0.000 0.000 0.250 238 R C 0.315 176.564 176.300 -0.086 0.000 0.909 238 R CA 0.008 56.081 56.100 -0.045 0.000 1.050 238 R CB 0.878 31.169 30.300 -0.014 0.000 1.256 238 R HN 0.799 nan 8.270 nan 0.000 0.550 239 E N 0.566 120.705 120.200 -0.100 0.000 2.304 239 E HA 0.431 4.781 4.350 -0.000 0.000 0.277 239 E C -1.402 175.114 176.600 -0.140 0.000 0.898 239 E CA -0.408 55.917 56.400 -0.125 0.000 0.764 239 E CB 1.896 31.559 29.700 -0.061 0.000 1.216 239 E HN -0.063 nan 8.360 nan 0.000 0.419 240 I N 4.238 124.679 120.570 -0.214 0.000 2.439 240 I HA 0.326 4.496 4.170 -0.000 0.000 0.283 240 I C -0.679 175.482 176.117 0.075 0.000 1.023 240 I CA -0.641 60.585 61.300 -0.124 0.000 1.100 240 I CB 1.590 39.416 38.000 -0.289 0.000 1.238 240 I HN 0.245 nan 8.210 nan 0.000 0.445 241 K N 6.812 127.278 120.400 0.109 0.000 2.182 241 K HA 0.631 4.951 4.320 -0.000 0.000 0.262 241 K C -1.349 175.378 176.600 0.212 0.000 0.957 241 K CA -0.683 55.677 56.287 0.121 0.000 0.842 241 K CB 1.898 34.410 32.500 0.020 0.000 1.099 241 K HN 0.476 nan 8.250 nan 0.000 0.438 242 Y N -1.685 118.636 120.300 0.035 0.000 2.588 242 Y HA 0.671 5.221 4.550 -0.000 0.000 0.343 242 Y C -0.521 175.386 175.900 0.013 0.000 1.065 242 Y CA -1.113 57.001 58.100 0.024 0.000 1.038 242 Y CB 1.725 40.213 38.460 0.047 0.000 1.297 242 Y HN 0.638 nan 8.280 nan 0.000 0.467 243 S N -0.357 115.384 115.700 0.069 0.000 2.705 243 S HA 0.573 5.043 4.470 -0.000 0.000 0.280 243 S C -2.757 171.876 174.600 0.055 0.000 1.174 243 S CA -1.522 56.676 58.200 -0.003 0.000 0.823 243 S CB 1.645 64.828 63.200 -0.029 0.000 1.162 243 S HN 0.418 nan 8.310 nan 0.000 0.487 244 P HA 0.167 nan 4.420 nan 0.000 0.226 244 P C 1.222 178.526 177.300 0.007 0.000 1.153 244 P CA 1.220 64.343 63.100 0.038 0.000 0.777 244 P CB -0.322 31.395 31.700 0.028 0.000 0.794 245 G N -1.772 107.021 108.800 -0.011 0.000 2.719 245 G HA2 0.430 4.390 3.960 -0.000 0.000 0.211 245 G HA3 0.430 4.390 3.960 -0.000 0.000 0.211 245 G C 0.619 175.471 174.900 -0.081 0.000 1.140 245 G CA 0.582 45.659 45.100 -0.038 0.000 0.790 245 G HN 0.518 nan 8.290 nan 0.000 0.529 246 G N -1.337 107.424 108.800 -0.066 0.000 2.427 246 G HA2 0.558 4.517 3.960 -0.000 0.000 0.306 246 G HA3 0.558 4.517 3.960 -0.000 0.000 0.306 246 G C -1.646 173.240 174.900 -0.023 0.000 1.280 246 G CA 0.261 45.301 45.100 -0.099 0.000 0.837 246 G HN 1.073 nan 8.290 nan 0.000 0.482 247 V N -3.389 116.519 119.914 -0.011 0.000 3.159 247 V HA 0.988 5.108 4.120 -0.000 0.000 0.308 247 V C -0.656 175.462 176.094 0.040 0.000 1.190 247 V CA -0.593 61.738 62.300 0.050 0.000 1.037 247 V CB 1.547 33.410 31.823 0.067 0.000 1.060 247 V HN 1.119 nan 8.190 nan 0.000 0.437 248 T N 1.541 116.127 114.554 0.053 0.000 2.893 248 T HA 0.751 5.101 4.350 -0.000 0.000 0.293 248 T C -1.026 173.704 174.700 0.050 0.000 1.027 248 T CA -0.468 61.660 62.100 0.046 0.000 0.988 248 T CB 1.742 70.623 68.868 0.022 0.000 1.043 248 T HN 0.883 nan 8.240 nan 0.000 0.461 249 V N 3.449 123.409 119.914 0.076 0.000 2.638 249 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 249 V C -0.540 175.621 176.094 0.111 0.000 1.052 249 V CA -0.974 61.367 62.300 0.068 0.000 0.885 249 V CB 2.027 33.892 31.823 0.070 0.000 0.999 249 V HN 0.736 nan 8.190 nan 0.000 0.424 250 K N 2.390 122.819 120.400 0.049 0.000 2.207 250 K HA 0.721 5.041 4.320 -0.000 0.000 0.255 250 K C -0.202 176.427 176.600 0.049 0.000 0.941 250 K CA -0.637 55.675 56.287 0.042 0.000 0.825 250 K CB 2.274 34.771 32.500 -0.005 0.000 1.119 250 K HN 0.829 nan 8.250 nan 0.000 0.430 251 T N -2.077 112.523 114.554 0.077 0.000 2.945 251 T HA 0.177 4.527 4.350 -0.000 0.000 0.286 251 T C 1.075 175.794 174.700 0.031 0.000 1.025 251 T CA -0.823 61.315 62.100 0.064 0.000 1.039 251 T CB 1.775 70.715 68.868 0.121 0.000 1.068 251 T HN 0.696 nan 8.240 nan 0.000 0.497 252 E N 0.445 120.661 120.200 0.026 0.000 2.160 252 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 252 E C 1.158 177.770 176.600 0.021 0.000 0.991 252 E CA 1.602 58.018 56.400 0.025 0.000 0.810 252 E CB -0.061 29.664 29.700 0.042 0.000 0.742 252 E HN 0.832 nan 8.360 nan 0.000 0.466 253 D N -0.745 119.669 120.400 0.024 0.000 2.336 253 D HA -0.105 4.535 4.640 -0.000 0.000 0.229 253 D C 0.055 176.356 176.300 0.003 0.000 1.061 253 D CA 0.247 54.257 54.000 0.017 0.000 0.875 253 D CB -0.074 40.740 40.800 0.023 0.000 0.904 253 D HN 0.131 nan 8.370 nan 0.000 0.525 254 N N -1.260 117.438 118.700 -0.003 0.000 3.002 254 N HA -0.148 4.592 4.740 -0.000 0.000 0.229 254 N C -0.634 174.836 175.510 -0.067 0.000 0.927 254 N CA 0.682 53.715 53.050 -0.028 0.000 0.980 254 N CB -1.738 36.732 38.487 -0.029 0.000 1.077 254 N HN 0.155 nan 8.380 nan 0.000 0.572 255 S N 0.279 115.936 115.700 -0.072 0.000 2.600 255 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 255 S C 0.542 174.951 174.600 -0.318 0.000 1.325 255 S CA -0.200 57.857 58.200 -0.238 0.000 1.002 255 S CB 2.106 65.165 63.200 -0.234 0.000 0.921 255 S HN 0.120 nan 8.310 nan 0.000 0.554 256 V N 1.967 121.543 119.914 -0.563 0.000 2.686 256 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 256 V C -1.613 174.143 176.094 -0.563 0.000 1.065 256 V CA -0.643 61.434 62.300 -0.371 0.000 0.894 256 V CB 1.369 33.077 31.823 -0.191 0.000 1.004 256 V HN 0.851 nan 8.190 nan 0.000 0.424 257 Y N 0.958 121.244 120.300 -0.024 0.000 2.576 257 Y HA 0.760 5.309 4.550 -0.000 0.000 0.346 257 Y C 0.354 176.243 175.900 -0.019 0.000 1.018 257 Y CA -0.744 57.344 58.100 -0.021 0.000 1.050 257 Y CB 2.587 41.033 38.460 -0.023 0.000 1.280 257 Y HN 0.539 nan 8.280 nan 0.000 0.474 258 S N 0.585 116.372 115.700 0.146 0.000 2.568 258 S HA 0.963 5.432 4.470 -0.000 0.000 0.293 258 S C -1.022 173.614 174.600 0.061 0.000 1.089 258 S CA -0.596 57.647 58.200 0.071 0.000 0.945 258 S CB 2.012 65.233 63.200 0.035 0.000 1.077 258 S HN 0.881 nan 8.310 nan 0.000 0.485 259 A N 0.842 123.678 122.820 0.028 0.000 2.511 259 A HA 0.609 4.929 4.320 -0.000 0.000 0.293 259 A C -0.826 176.736 177.584 -0.037 0.000 1.098 259 A CA -0.590 51.456 52.037 0.016 0.000 0.643 259 A CB 0.174 19.194 19.000 0.032 0.000 1.302 259 A HN 0.610 nan 8.150 nan 0.000 0.446 260 D N -0.985 119.380 120.400 -0.059 0.000 2.249 260 D HA 0.202 4.842 4.640 -0.000 0.000 0.205 260 D C -0.523 175.393 176.300 -0.641 0.000 0.962 260 D CA 1.917 55.749 54.000 -0.281 0.000 0.860 260 D CB 0.125 40.829 40.800 -0.161 0.000 0.955 260 D HN 0.434 nan 8.370 nan 0.000 0.505 261 Y N -1.272 119.040 120.300 0.019 0.000 2.609 261 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 261 Y C -0.637 175.264 175.900 0.002 0.000 1.129 261 Y CA -1.143 56.975 58.100 0.031 0.000 1.040 261 Y CB 2.252 40.702 38.460 -0.017 0.000 1.310 261 Y HN -0.363 nan 8.280 nan 0.000 0.460 262 V N 3.146 123.169 119.914 0.182 0.000 2.789 262 V HA 0.732 4.852 4.120 -0.000 0.000 0.311 262 V C -1.573 174.536 176.094 0.023 0.000 1.073 262 V CA -0.770 61.563 62.300 0.054 0.000 0.921 262 V CB 1.888 33.715 31.823 0.007 0.000 1.009 262 V HN 0.760 nan 8.190 nan 0.000 0.426 263 M N 7.412 126.992 119.600 -0.033 0.000 2.078 263 M HA 0.608 5.088 4.480 -0.000 0.000 0.320 263 M C -1.540 174.710 176.300 -0.084 0.000 0.969 263 M CA -0.152 55.111 55.300 -0.061 0.000 0.929 263 M CB 1.364 33.921 32.600 -0.072 0.000 1.504 263 M HN 0.379 nan 8.290 nan 0.000 0.419 264 V N 4.775 124.602 119.914 -0.146 0.000 2.385 264 V HA 0.375 4.495 4.120 -0.000 0.000 0.269 264 V C 0.688 176.821 176.094 0.065 0.000 1.043 264 V CA 0.185 62.456 62.300 -0.048 0.000 0.906 264 V CB 0.718 32.507 31.823 -0.057 0.000 0.995 264 V HN 1.010 nan 8.190 nan 0.000 0.467 265 S N 3.324 119.061 115.700 0.062 0.000 2.578 265 S HA 0.373 4.843 4.470 -0.000 0.000 0.231 265 S C 0.820 175.506 174.600 0.143 0.000 0.994 265 S CA 0.243 58.502 58.200 0.097 0.000 0.956 265 S CB 0.333 63.560 63.200 0.045 0.000 0.870 265 S HN 0.921 nan 8.310 nan 0.000 0.494 266 A N 2.571 125.465 122.820 0.123 0.000 2.507 266 A HA 0.540 4.859 4.320 -0.000 0.000 0.235 266 A C 0.866 178.533 177.584 0.138 0.000 1.070 266 A CA 0.159 52.249 52.037 0.088 0.000 0.768 266 A CB -0.166 18.867 19.000 0.056 0.000 1.011 266 A HN 0.990 nan 8.150 nan 0.000 0.502 267 S N 1.147 116.893 115.700 0.076 0.000 2.580 267 S HA 0.122 4.592 4.470 -0.000 0.000 0.266 267 S C 1.092 175.537 174.600 -0.257 0.000 1.354 267 S CA 0.185 58.386 58.200 0.001 0.000 1.008 267 S CB 0.299 63.549 63.200 0.084 0.000 0.898 267 S HN 1.405 nan 8.310 nan 0.000 0.555 268 L N 2.748 123.600 121.223 -0.619 0.000 2.079 268 L HA 0.092 4.432 4.340 -0.000 0.000 0.210 268 L C 2.335 179.074 176.870 -0.218 0.000 1.081 268 L CA 2.525 57.031 54.840 -0.558 0.000 0.752 268 L CB -1.505 40.302 42.059 -0.420 0.000 0.896 268 L HN 0.971 nan 8.230 nan 0.000 0.433 269 G N -1.109 107.639 108.800 -0.085 0.000 2.440 269 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 269 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 269 G C 1.531 176.435 174.900 0.005 0.000 1.154 269 G CA 1.049 46.156 45.100 0.011 0.000 0.767 269 G HN 0.347 nan 8.290 nan 0.000 0.552 270 V N 0.835 120.747 119.914 -0.003 0.000 2.343 270 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 270 V C 2.878 178.978 176.094 0.009 0.000 1.051 270 V CA 1.306 63.613 62.300 0.011 0.000 1.036 270 V CB -0.327 31.504 31.823 0.014 0.000 0.654 270 V HN 0.344 nan 8.190 nan 0.000 0.451 271 L N -0.640 120.562 121.223 -0.036 0.000 2.201 271 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 271 L C 2.511 179.303 176.870 -0.130 0.000 1.105 271 L CA 1.376 56.192 54.840 -0.040 0.000 0.775 271 L CB -0.453 41.529 42.059 -0.128 0.000 0.913 271 L HN 0.398 nan 8.230 nan 0.000 0.440 272 Q N -0.779 118.912 119.800 -0.182 0.000 2.435 272 Q HA -0.093 4.247 4.340 -0.000 0.000 0.207 272 Q C 2.158 178.238 176.000 0.133 0.000 0.956 272 Q CA 1.252 56.915 55.803 -0.233 0.000 0.917 272 Q CB 0.149 28.800 28.738 -0.145 0.000 0.997 272 Q HN 0.521 nan 8.270 nan 0.000 0.497 273 S N -0.694 115.057 115.700 0.086 0.000 2.548 273 S HA -0.011 4.459 4.470 -0.000 0.000 0.215 273 S C 0.210 174.872 174.600 0.103 0.000 0.976 273 S CA 0.401 58.663 58.200 0.103 0.000 0.908 273 S CB 0.365 63.592 63.200 0.045 0.000 0.781 273 S HN 0.233 nan 8.310 nan 0.000 0.519 274 D N -0.603 119.870 120.400 0.122 0.000 3.006 274 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 274 D C 0.515 176.852 176.300 0.062 0.000 1.075 274 D CA 0.889 54.953 54.000 0.106 0.000 1.000 274 D CB -1.744 39.110 40.800 0.090 0.000 1.097 274 D HN 0.482 nan 8.370 nan 0.000 0.426 275 L N 0.310 121.562 121.223 0.048 0.000 2.083 275 L HA 0.099 4.439 4.340 -0.000 0.000 0.209 275 L C 0.761 177.639 176.870 0.013 0.000 1.083 275 L CA 1.602 56.459 54.840 0.029 0.000 0.752 275 L CB 0.055 42.137 42.059 0.039 0.000 0.899 275 L HN 0.187 nan 8.230 nan 0.000 0.433 276 I N 0.553 121.128 120.570 0.008 0.000 2.339 276 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 276 I C -0.075 175.972 176.117 -0.118 0.000 0.994 276 I CA -0.323 60.918 61.300 -0.098 0.000 1.191 276 I CB 1.312 39.199 38.000 -0.189 0.000 1.343 276 I HN 0.151 nan 8.210 nan 0.000 0.458 277 Q N 6.135 125.855 119.800 -0.134 0.000 2.279 277 Q HA 0.395 4.735 4.340 -0.000 0.000 0.256 277 Q C -1.566 174.344 176.000 -0.149 0.000 0.937 277 Q CA -0.410 55.361 55.803 -0.052 0.000 0.933 277 Q CB 0.933 29.659 28.738 -0.020 0.000 1.189 277 Q HN 0.442 nan 8.270 nan 0.000 0.417 278 F N 2.865 122.871 119.950 0.094 0.000 2.422 278 F HA 0.448 4.975 4.527 -0.000 0.000 0.333 278 F C 0.171 176.061 175.800 0.150 0.000 1.095 278 F CA -0.508 57.593 58.000 0.168 0.000 1.038 278 F CB 1.554 40.677 39.000 0.203 0.000 1.156 278 F HN 0.403 nan 8.300 nan 0.000 0.483 279 K N 5.278 125.858 120.400 0.300 0.000 2.637 279 K HA 0.377 4.697 4.320 -0.000 0.000 0.248 279 K C -2.899 173.561 176.600 -0.234 0.000 0.971 279 K CA -1.990 54.334 56.287 0.061 0.000 0.858 279 K CB 1.820 34.328 32.500 0.014 0.000 1.170 279 K HN 0.196 nan 8.250 nan 0.000 0.443 280 P HA 0.061 nan 4.420 nan 0.000 0.275 280 P C -0.887 176.489 177.300 0.128 0.000 1.266 280 P CA -0.366 62.670 63.100 -0.106 0.000 0.793 280 P CB 0.698 32.308 31.700 -0.150 0.000 1.074 281 K N 0.176 120.644 120.400 0.113 0.000 2.469 281 K HA 0.119 4.439 4.320 -0.000 0.000 0.274 281 K C 0.463 177.135 176.600 0.120 0.000 0.983 281 K CA -0.150 56.222 56.287 0.142 0.000 0.974 281 K CB -0.166 32.377 32.500 0.071 0.000 0.913 281 K HN 0.367 nan 8.250 nan 0.000 0.493 282 L N 3.921 125.158 121.223 0.024 0.000 2.483 282 L HA 0.092 4.432 4.340 -0.000 0.000 0.275 282 L C -1.691 175.064 176.870 -0.190 0.000 1.220 282 L CA -1.729 53.014 54.840 -0.162 0.000 0.833 282 L CB -0.121 41.692 42.059 -0.409 0.000 1.102 282 L HN 0.461 nan 8.230 nan 0.000 0.490 283 P HA 0.062 nan 4.420 nan 0.000 0.272 283 P C 0.488 177.564 177.300 -0.373 0.000 1.230 283 P CA -0.306 62.628 63.100 -0.276 0.000 0.788 283 P CB 0.493 32.032 31.700 -0.268 0.000 0.949 284 T N 0.206 114.667 114.554 -0.155 0.000 2.699 284 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 284 T C 1.543 176.195 174.700 -0.082 0.000 1.036 284 T CA 1.609 63.661 62.100 -0.079 0.000 1.147 284 T CB -0.575 68.311 68.868 0.030 0.000 0.862 284 T HN 0.629 nan 8.240 nan 0.000 0.446 285 W N 2.463 123.751 121.300 -0.019 0.000 2.374 285 W HA -0.068 4.592 4.660 -0.000 0.000 0.288 285 W C 1.891 178.359 176.519 -0.085 0.000 1.218 285 W CA 1.195 58.520 57.345 -0.034 0.000 1.245 285 W CB -0.805 28.636 29.460 -0.031 0.000 1.126 285 W HN 0.172 nan 8.180 nan 0.000 0.545 286 K N 1.663 121.423 120.400 -1.066 0.000 2.031 286 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 286 K C 2.001 178.291 176.600 -0.515 0.000 1.049 286 K CA 2.253 57.897 56.287 -1.071 0.000 0.939 286 K CB -0.871 30.721 32.500 -1.513 0.000 0.717 286 K HN 0.014 nan 8.250 nan 0.000 0.438 287 V N 1.733 121.419 119.914 -0.379 0.000 2.332 287 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 287 V C 2.467 178.570 176.094 0.015 0.000 1.055 287 V CA 2.065 64.284 62.300 -0.135 0.000 1.038 287 V CB -0.482 31.313 31.823 -0.047 0.000 0.651 287 V HN 0.329 nan 8.190 nan 0.000 0.450 288 R N -0.120 120.381 120.500 0.001 0.000 2.092 288 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 288 R C 2.428 178.755 176.300 0.045 0.000 1.119 288 R CA 1.407 57.549 56.100 0.070 0.000 0.970 288 R CB -0.576 29.770 30.300 0.077 0.000 0.864 288 R HN 0.539 nan 8.270 nan 0.000 0.440 289 A N 1.348 124.156 122.820 -0.020 0.000 1.933 289 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 289 A C 2.153 179.665 177.584 -0.119 0.000 1.175 289 A CA 1.076 53.080 52.037 -0.055 0.000 0.628 289 A CB -0.429 18.512 19.000 -0.099 0.000 0.814 289 A HN 0.161 nan 8.150 nan 0.000 0.444 290 I N -1.996 118.439 120.570 -0.225 0.000 2.179 290 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 290 I C 2.222 178.154 176.117 -0.309 0.000 1.088 290 I CA 1.535 62.626 61.300 -0.348 0.000 1.357 290 I CB -0.356 37.318 38.000 -0.542 0.000 1.051 290 I HN 0.426 nan 8.210 nan 0.000 0.409 291 Y N 0.308 120.581 120.300 -0.046 0.000 2.516 291 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 291 Y C 2.583 178.492 175.900 0.016 0.000 1.131 291 Y CA 0.657 58.750 58.100 -0.010 0.000 1.281 291 Y CB -0.149 38.302 38.460 -0.015 0.000 1.013 291 Y HN 0.192 nan 8.280 nan 0.000 0.554 292 Q N -0.874 119.010 119.800 0.139 0.000 2.245 292 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 292 Q C 0.120 176.183 176.000 0.106 0.000 0.955 292 Q CA 0.393 56.265 55.803 0.115 0.000 0.870 292 Q CB 0.088 28.891 28.738 0.108 0.000 0.945 292 Q HN 0.282 nan 8.270 nan 0.000 0.461 293 F N 1.234 121.140 119.950 -0.073 0.000 2.380 293 F HA 0.075 4.602 4.527 -0.000 0.000 0.325 293 F C 0.065 175.832 175.800 -0.055 0.000 1.136 293 F CA -0.414 57.526 58.000 -0.100 0.000 1.171 293 F CB 0.847 39.766 39.000 -0.134 0.000 1.230 293 F HN -0.142 nan 8.300 nan 0.000 0.554 294 D N 2.943 123.172 120.400 -0.285 0.000 2.185 294 D HA 0.290 4.929 4.640 -0.000 0.000 0.247 294 D C -0.853 175.428 176.300 -0.032 0.000 1.027 294 D CA -0.262 53.658 54.000 -0.133 0.000 0.861 294 D CB 1.727 42.408 40.800 -0.197 0.000 1.202 294 D HN 0.319 nan 8.370 nan 0.000 0.453 295 M N 2.539 122.142 119.600 0.005 0.000 2.047 295 M HA 0.550 5.030 4.480 -0.000 0.000 0.342 295 M C -0.800 175.479 176.300 -0.036 0.000 1.058 295 M CA -0.436 54.876 55.300 0.021 0.000 0.991 295 M CB 0.826 33.453 32.600 0.045 0.000 1.474 295 M HN 0.376 nan 8.290 nan 0.000 0.419 296 A N 4.114 126.868 122.820 -0.110 0.000 2.259 296 A HA 0.842 5.162 4.320 -0.000 0.000 0.278 296 A C -0.949 176.452 177.584 -0.305 0.000 1.107 296 A CA -0.643 51.272 52.037 -0.203 0.000 0.828 296 A CB 0.771 19.640 19.000 -0.218 0.000 1.111 296 A HN 0.719 nan 8.150 nan 0.000 0.498 297 V N -0.273 119.482 119.914 -0.266 0.000 2.686 297 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 297 V C -1.401 174.642 176.094 -0.085 0.000 1.065 297 V CA -0.282 61.919 62.300 -0.165 0.000 0.894 297 V CB 1.356 33.147 31.823 -0.054 0.000 1.004 297 V HN 0.794 nan 8.190 nan 0.000 0.424 298 Y N 2.469 122.648 120.300 -0.202 0.000 2.329 298 Y HA 0.627 5.177 4.550 -0.000 0.000 0.328 298 Y C -0.045 175.920 175.900 0.108 0.000 0.992 298 Y CA -0.186 57.898 58.100 -0.027 0.000 1.151 298 Y CB 1.938 40.407 38.460 0.015 0.000 1.150 298 Y HN 0.669 nan 8.280 nan 0.000 0.450 299 T N 6.677 121.269 114.554 0.063 0.000 2.756 299 T HA 0.328 4.677 4.350 -0.000 0.000 0.290 299 T C -0.677 174.032 174.700 0.016 0.000 0.985 299 T CA -0.842 61.339 62.100 0.136 0.000 0.955 299 T CB 0.535 69.458 68.868 0.092 0.000 0.930 299 T HN 0.474 nan 8.240 nan 0.000 0.451 300 K N 3.662 124.145 120.400 0.139 0.000 2.250 300 K HA 0.385 4.705 4.320 -0.000 0.000 0.280 300 K C -0.371 176.141 176.600 -0.147 0.000 1.098 300 K CA -0.243 56.031 56.287 -0.022 0.000 0.916 300 K CB 0.499 33.115 32.500 0.193 0.000 1.209 300 K HN 0.564 nan 8.250 nan 0.000 0.461 301 I N 4.460 124.884 120.570 -0.243 0.000 2.301 301 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 301 I C -0.295 175.633 176.117 -0.314 0.000 1.046 301 I CA -0.586 60.609 61.300 -0.175 0.000 1.282 301 I CB 0.220 38.163 38.000 -0.095 0.000 1.409 301 I HN 0.305 nan 8.210 nan 0.000 0.484 302 F N 6.768 126.582 119.950 -0.227 0.000 2.379 302 F HA 0.598 5.125 4.527 -0.000 0.000 0.332 302 F C 0.064 175.691 175.800 -0.288 0.000 1.096 302 F CA -0.442 57.340 58.000 -0.363 0.000 1.105 302 F CB 1.051 39.507 39.000 -0.907 0.000 1.189 302 F HN 0.192 nan 8.300 nan 0.000 0.515 303 L N 2.774 124.135 121.223 0.231 0.000 2.431 303 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 303 L C -0.714 176.371 176.870 0.360 0.000 0.978 303 L CA -0.808 54.184 54.840 0.253 0.000 0.822 303 L CB 2.368 44.541 42.059 0.190 0.000 1.310 303 L HN 0.499 nan 8.230 nan 0.000 0.409 304 K N 2.219 122.705 120.400 0.142 0.000 2.292 304 K HA 0.707 5.027 4.320 -0.000 0.000 0.257 304 K C -1.713 174.731 176.600 -0.261 0.000 0.940 304 K CA -0.425 55.890 56.287 0.047 0.000 0.811 304 K CB 1.311 33.736 32.500 -0.126 0.000 1.120 304 K HN 0.319 nan 8.250 nan 0.000 0.428 305 F N 3.472 123.585 119.950 0.271 0.000 2.579 305 F HA 0.383 4.910 4.527 -0.000 0.000 0.324 305 F C -1.556 174.347 175.800 0.172 0.000 1.058 305 F CA -2.275 55.884 58.000 0.265 0.000 0.944 305 F CB 1.682 40.940 39.000 0.430 0.000 1.245 305 F HN 0.484 nan 8.300 nan 0.000 0.477 306 P HA -0.030 nan 4.420 nan 0.000 0.223 306 P C -0.808 176.580 177.300 0.147 0.000 1.151 306 P CA 0.997 64.203 63.100 0.177 0.000 0.787 306 P CB 0.186 31.971 31.700 0.142 0.000 0.788 307 R N -2.550 118.062 120.500 0.187 0.000 2.709 307 R HA 0.396 4.736 4.340 -0.000 0.000 0.270 307 R C -1.024 175.198 176.300 -0.130 0.000 1.038 307 R CA -1.136 54.979 56.100 0.025 0.000 0.872 307 R CB 0.888 31.186 30.300 -0.002 0.000 1.259 307 R HN -0.296 nan 8.270 nan 0.000 0.473 308 K N 1.416 121.526 120.400 -0.483 0.000 2.237 308 K HA 0.224 4.544 4.320 -0.000 0.000 0.270 308 K C -0.692 175.300 176.600 -1.013 0.000 1.015 308 K CA -0.378 55.112 56.287 -1.328 0.000 0.949 308 K CB 0.427 32.116 32.500 -1.353 0.000 0.976 308 K HN 0.686 nan 8.250 nan 0.000 0.472 309 F N 0.127 119.395 119.950 -1.136 0.000 3.022 309 F HA 0.330 4.857 4.527 -0.000 0.000 0.351 309 F C -0.945 174.370 175.800 -0.808 0.000 1.170 309 F CA -1.281 56.294 58.000 -0.708 0.000 1.066 309 F CB -0.613 38.084 39.000 -0.504 0.000 1.297 309 F HN 0.457 nan 8.300 nan 0.000 0.519 310 W N 0.934 121.589 121.300 -1.075 0.000 2.576 310 W HA 0.910 5.570 4.660 -0.000 0.000 0.360 310 W C -2.985 173.222 176.519 -0.521 0.000 1.109 310 W CA -3.053 53.694 57.345 -0.997 0.000 1.237 310 W CB -0.488 28.319 29.460 -1.088 0.000 1.369 310 W HN -0.337 nan 8.180 nan 0.000 0.609 311 P HA 0.149 nan 4.420 nan 0.000 0.271 311 P C -0.858 176.421 177.300 -0.035 0.000 1.218 311 P CA 0.037 63.085 63.100 -0.086 0.000 0.780 311 P CB 0.806 32.498 31.700 -0.012 0.000 0.901 312 E N 0.475 120.620 120.200 -0.090 0.000 2.343 312 E HA 0.702 5.052 4.350 -0.000 0.000 0.270 312 E C -0.300 176.248 176.600 -0.086 0.000 0.895 312 E CA -0.868 55.493 56.400 -0.066 0.000 0.767 312 E CB 2.184 31.828 29.700 -0.092 0.000 1.248 312 E HN 0.662 nan 8.360 nan 0.000 0.440 313 G N 1.443 110.184 108.800 -0.097 0.000 2.334 313 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.315 313 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.315 313 G C -1.237 173.569 174.900 -0.156 0.000 1.284 313 G CA -1.054 43.979 45.100 -0.111 0.000 0.985 313 G HN 0.425 nan 8.290 nan 0.000 0.504 314 K N 0.487 120.778 120.400 -0.183 0.000 2.472 314 K HA 0.402 4.722 4.320 -0.000 0.000 0.280 314 K C 1.495 177.820 176.600 -0.459 0.000 1.028 314 K CA 1.626 57.727 56.287 -0.311 0.000 1.045 314 K CB -0.107 32.224 32.500 -0.282 0.000 0.902 314 K HN 2.338 nan 8.250 nan 0.000 0.478 315 G N 3.934 112.359 108.800 -0.625 0.000 2.184 315 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.264 315 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.264 315 G C 0.748 175.581 174.900 -0.112 0.000 0.975 315 G CA 0.212 44.974 45.100 -0.564 0.000 0.642 315 G HN 0.655 nan 8.290 nan 0.000 0.536 316 R N 0.390 120.818 120.500 -0.120 0.000 2.299 316 R HA 0.177 4.517 4.340 -0.000 0.000 0.197 316 R C 1.973 178.260 176.300 -0.022 0.000 0.971 316 R CA 0.906 56.986 56.100 -0.035 0.000 1.030 316 R CB -0.366 29.897 30.300 -0.061 0.000 0.932 316 R HN 0.754 nan 8.270 nan 0.000 0.477 317 E N -0.066 120.047 120.200 -0.146 0.000 2.085 317 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 317 E C -0.549 175.774 176.600 -0.463 0.000 0.994 317 E CA 0.989 57.138 56.400 -0.418 0.000 0.801 317 E CB 0.143 29.403 29.700 -0.733 0.000 0.743 317 E HN 0.093 nan 8.360 nan 0.000 0.453 318 F N -0.004 120.053 119.950 0.179 0.000 2.469 318 F HA 0.397 4.924 4.527 -0.000 0.000 0.332 318 F C -0.402 175.646 175.800 0.413 0.000 1.103 318 F CA -1.181 56.969 58.000 0.250 0.000 0.979 318 F CB 1.439 40.593 39.000 0.257 0.000 1.137 318 F HN -0.095 nan 8.300 nan 0.000 0.463 319 F N 0.959 121.116 119.950 0.346 0.000 2.631 319 F HA 0.838 5.365 4.527 -0.000 0.000 0.308 319 F C -2.102 173.926 175.800 0.380 0.000 1.097 319 F CA -1.421 56.779 58.000 0.333 0.000 0.952 319 F CB 1.313 40.526 39.000 0.356 0.000 1.307 319 F HN 0.177 nan 8.300 nan 0.000 0.450 320 L N 2.329 123.836 121.223 0.472 0.000 2.333 320 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 320 L C -1.549 175.637 176.870 0.526 0.000 1.010 320 L CA -1.235 53.836 54.840 0.386 0.000 0.818 320 L CB 2.166 44.362 42.059 0.229 0.000 1.306 320 L HN 0.746 nan 8.230 nan 0.000 0.430 321 Y N 1.495 121.999 120.300 0.340 0.000 2.334 321 Y HA 0.578 5.128 4.550 -0.000 0.000 0.336 321 Y C 0.004 176.051 175.900 0.245 0.000 0.960 321 Y CA -1.209 57.073 58.100 0.303 0.000 1.164 321 Y CB 1.617 40.268 38.460 0.319 0.000 1.155 321 Y HN 0.583 nan 8.280 nan 0.000 0.478 322 A N 5.182 127.922 122.820 -0.132 0.000 3.056 322 A HA 0.335 4.655 4.320 -0.000 0.000 0.274 322 A C 0.416 177.788 177.584 -0.353 0.000 1.661 322 A CA -0.018 51.934 52.037 -0.143 0.000 1.363 322 A CB -0.911 18.129 19.000 0.068 0.000 1.139 322 A HN 0.663 nan 8.150 nan 0.000 0.598 323 S N 0.861 116.307 115.700 -0.423 0.000 2.585 323 S HA 0.206 4.676 4.470 -0.000 0.000 0.273 323 S C 1.613 176.168 174.600 -0.074 0.000 1.339 323 S CA 0.112 58.162 58.200 -0.250 0.000 1.028 323 S CB 0.548 63.792 63.200 0.074 0.000 0.906 323 S HN 1.108 nan 8.310 nan 0.000 0.528 324 S N 3.114 118.794 115.700 -0.033 0.000 2.561 324 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 324 S C 0.773 175.366 174.600 -0.011 0.000 0.977 324 S CA 0.058 58.251 58.200 -0.011 0.000 0.926 324 S CB -0.218 62.980 63.200 -0.003 0.000 0.769 324 S HN 0.723 nan 8.310 nan 0.000 0.533 325 R N 2.079 122.571 120.500 -0.013 0.000 2.230 325 R HA 0.315 4.655 4.340 -0.000 0.000 0.337 325 R C -0.070 176.236 176.300 0.011 0.000 1.063 325 R CA -0.712 55.373 56.100 -0.025 0.000 0.935 325 R CB 0.454 30.689 30.300 -0.108 0.000 1.121 325 R HN 0.255 nan 8.270 nan 0.000 0.486 326 R N 2.819 123.324 120.500 0.007 0.000 2.523 326 R HA -0.069 4.271 4.340 -0.000 0.000 0.281 326 R C 0.596 176.870 176.300 -0.043 0.000 0.969 326 R CA 1.908 58.012 56.100 0.006 0.000 1.093 326 R CB 0.148 30.479 30.300 0.051 0.000 0.917 326 R HN 0.995 nan 8.270 nan 0.000 0.408 327 G N 2.941 111.593 108.800 -0.247 0.000 2.162 327 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 327 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 327 G C -0.397 174.319 174.900 -0.307 0.000 0.976 327 G CA 0.421 45.182 45.100 -0.565 0.000 0.655 327 G HN 0.704 nan 8.290 nan 0.000 0.533 328 Y N 1.077 121.238 120.300 -0.232 0.000 2.486 328 Y HA 0.454 5.004 4.550 -0.000 0.000 0.348 328 Y C 1.123 177.028 175.900 0.009 0.000 1.000 328 Y CA -0.864 57.146 58.100 -0.150 0.000 1.253 328 Y CB -0.386 38.096 38.460 0.037 0.000 1.140 328 Y HN 0.349 nan 8.280 nan 0.000 0.526 329 Y N 3.090 123.202 120.300 -0.314 0.000 2.950 329 Y HA -0.324 4.226 4.550 -0.000 0.000 0.214 329 Y C 1.578 177.457 175.900 -0.035 0.000 1.153 329 Y CA 0.607 58.535 58.100 -0.288 0.000 0.966 329 Y CB -1.065 37.212 38.460 -0.305 0.000 1.195 329 Y HN 0.860 nan 8.280 nan 0.000 0.507 330 G N -0.704 108.055 108.800 -0.067 0.000 2.662 330 G HA2 0.234 4.194 3.960 -0.000 0.000 0.212 330 G HA3 0.234 4.194 3.960 -0.000 0.000 0.212 330 G C 0.136 175.081 174.900 0.074 0.000 1.141 330 G CA 0.562 45.692 45.100 0.050 0.000 0.797 330 G HN 0.200 nan 8.290 nan 0.000 0.531 331 V N 0.779 120.587 119.914 -0.176 0.000 2.378 331 V HA 0.508 4.628 4.120 -0.000 0.000 0.288 331 V C -1.139 174.688 176.094 -0.446 0.000 1.016 331 V CA -1.059 61.114 62.300 -0.212 0.000 0.840 331 V CB 0.875 32.476 31.823 -0.370 0.000 0.994 331 V HN 0.272 nan 8.190 nan 0.000 0.431 332 W N 2.654 123.696 121.300 -0.430 0.000 2.639 332 W HA 0.763 5.423 4.660 -0.000 0.000 0.347 332 W C 0.028 176.186 176.519 -0.602 0.000 1.067 332 W CA -0.418 56.489 57.345 -0.730 0.000 1.218 332 W CB 1.527 29.926 29.460 -1.768 0.000 1.393 332 W HN 0.452 nan 8.180 nan 0.000 0.557 333 Q N 1.723 121.375 119.800 -0.246 0.000 2.345 333 Q HA 0.381 4.721 4.340 -0.000 0.000 0.275 333 Q C -1.354 174.263 176.000 -0.638 0.000 1.063 333 Q CA -0.769 54.812 55.803 -0.370 0.000 0.819 333 Q CB 2.418 30.999 28.738 -0.261 0.000 1.356 333 Q HN 0.560 nan 8.270 nan 0.000 0.418 334 E N 1.591 121.360 120.200 -0.718 0.000 2.288 334 E HA 0.395 4.744 4.350 -0.000 0.000 0.268 334 E C -1.287 174.828 176.600 -0.809 0.000 0.885 334 E CA -0.636 55.354 56.400 -0.683 0.000 0.767 334 E CB 0.907 30.389 29.700 -0.364 0.000 1.220 334 E HN 0.488 nan 8.360 nan 0.000 0.427 335 F N 1.459 121.383 119.950 -0.043 0.000 2.963 335 F HA 0.202 4.729 4.527 -0.000 0.000 0.321 335 F C 1.170 176.886 175.800 -0.140 0.000 1.234 335 F CA -0.497 57.412 58.000 -0.152 0.000 1.296 335 F CB 0.218 39.229 39.000 0.018 0.000 0.981 335 F HN 0.661 nan 8.300 nan 0.000 0.507 336 E N 0.365 120.555 120.200 -0.018 0.000 2.130 336 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 336 E C 1.420 177.940 176.600 -0.133 0.000 0.998 336 E CA 1.514 57.897 56.400 -0.028 0.000 0.806 336 E CB -0.168 29.499 29.700 -0.055 0.000 0.738 336 E HN 0.483 nan 8.360 nan 0.000 0.459 337 K N 0.231 120.450 120.400 -0.302 0.000 2.067 337 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 337 K C 2.313 178.559 176.600 -0.589 0.000 1.048 337 K CA 1.131 57.128 56.287 -0.483 0.000 0.954 337 K CB 0.060 32.047 32.500 -0.855 0.000 0.737 337 K HN -0.007 nan 8.250 nan 0.000 0.444 338 Q N -0.211 119.174 119.800 -0.692 0.000 2.050 338 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 338 Q C 0.053 175.724 176.000 -0.548 0.000 0.980 338 Q CA 1.468 56.811 55.803 -0.768 0.000 0.840 338 Q CB 0.090 28.137 28.738 -1.152 0.000 0.898 338 Q HN 0.367 nan 8.270 nan 0.000 0.424 339 Y N -0.412 119.909 120.300 0.035 0.000 2.584 339 Y HA 0.372 4.921 4.550 -0.000 0.000 0.358 339 Y C -2.261 173.687 175.900 0.080 0.000 1.028 339 Y CA -2.975 55.159 58.100 0.056 0.000 1.148 339 Y CB 0.760 39.245 38.460 0.041 0.000 1.126 339 Y HN -0.015 nan 8.280 nan 0.000 0.658 340 P HA -0.051 nan 4.420 nan 0.000 0.264 340 P C 0.203 177.571 177.300 0.113 0.000 1.183 340 P CA 0.818 63.974 63.100 0.094 0.000 0.763 340 P CB 0.575 32.305 31.700 0.050 0.000 0.807 341 D N 0.687 121.146 120.400 0.098 0.000 3.046 341 D HA -0.243 4.396 4.640 -0.000 0.000 0.210 341 D C 0.945 177.313 176.300 0.114 0.000 1.124 341 D CA 1.513 55.561 54.000 0.080 0.000 0.986 341 D CB -1.350 39.476 40.800 0.045 0.000 1.118 341 D HN 0.523 nan 8.370 nan 0.000 0.416 342 A N 0.429 123.357 122.820 0.181 0.000 2.119 342 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 342 A C 1.052 178.792 177.584 0.260 0.000 1.152 342 A CA 1.182 53.332 52.037 0.189 0.000 0.708 342 A CB 0.113 19.220 19.000 0.178 0.000 0.805 342 A HN 0.256 nan 8.150 nan 0.000 0.460 343 N N -1.495 117.422 118.700 0.363 0.000 2.754 343 N HA -0.122 4.618 4.740 -0.000 0.000 0.248 343 N C -0.629 175.281 175.510 0.667 0.000 1.093 343 N CA 1.042 54.417 53.050 0.542 0.000 0.699 343 N CB -1.845 36.874 38.487 0.387 0.000 1.016 343 N HN 0.255 nan 8.380 nan 0.000 0.552 344 V N 0.589 120.856 119.914 0.589 0.000 2.667 344 V HA 0.607 4.727 4.120 -0.000 0.000 0.308 344 V C 0.605 176.981 176.094 0.469 0.000 1.048 344 V CA -0.654 61.998 62.300 0.585 0.000 0.928 344 V CB 2.411 34.584 31.823 0.583 0.000 1.004 344 V HN 0.144 nan 8.190 nan 0.000 0.444 345 L N 3.921 125.399 121.223 0.424 0.000 2.333 345 L HA 0.646 4.986 4.340 -0.000 0.000 0.263 345 L C -1.337 175.731 176.870 0.329 0.000 1.014 345 L CA -0.893 54.062 54.840 0.192 0.000 0.820 345 L CB 2.212 44.341 42.059 0.117 0.000 1.352 345 L HN 0.438 nan 8.230 nan 0.000 0.421 346 L N 2.435 123.753 121.223 0.157 0.000 2.376 346 L HA 0.645 4.985 4.340 -0.000 0.000 0.275 346 L C -1.159 175.510 176.870 -0.335 0.000 0.987 346 L CA -0.361 54.424 54.840 -0.091 0.000 0.828 346 L CB 1.838 43.928 42.059 0.051 0.000 1.249 346 L HN 0.294 nan 8.230 nan 0.000 0.409 347 V N 4.849 124.406 119.914 -0.594 0.000 2.513 347 V HA 0.724 4.844 4.120 -0.000 0.000 0.299 347 V C -0.391 175.385 176.094 -0.531 0.000 1.035 347 V CA 0.024 61.730 62.300 -0.990 0.000 0.889 347 V CB 2.175 32.972 31.823 -1.709 0.000 0.988 347 V HN 0.940 nan 8.190 nan 0.000 0.440 348 T N 6.302 120.598 114.554 -0.429 0.000 2.823 348 T HA 0.710 5.060 4.350 -0.000 0.000 0.279 348 T C -0.478 174.076 174.700 -0.243 0.000 0.998 348 T CA -0.289 61.634 62.100 -0.296 0.000 0.994 348 T CB 1.493 70.235 68.868 -0.211 0.000 0.960 348 T HN 1.050 nan 8.240 nan 0.000 0.448 349 V N 0.264 120.048 119.914 -0.218 0.000 3.141 349 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 349 V C -0.363 175.689 176.094 -0.071 0.000 1.157 349 V CA -0.884 61.340 62.300 -0.128 0.000 1.041 349 V CB 1.854 33.538 31.823 -0.232 0.000 1.071 349 V HN 1.065 nan 8.190 nan 0.000 0.441 350 T N -2.248 112.326 114.554 0.032 0.000 2.754 350 T HA 0.644 4.994 4.350 -0.000 0.000 0.296 350 T C 0.054 174.754 174.700 0.000 0.000 1.205 350 T CA 0.521 62.636 62.100 0.025 0.000 1.009 350 T CB 1.469 70.379 68.868 0.069 0.000 1.368 350 T HN 1.680 nan 8.240 nan 0.000 0.509 351 D N 0.428 120.801 120.400 -0.045 0.000 3.899 351 D HA -0.289 4.351 4.640 -0.000 0.000 0.146 351 D C 1.306 177.528 176.300 -0.131 0.000 0.820 351 D CA 2.300 56.246 54.000 -0.088 0.000 1.056 351 D CB -1.067 39.722 40.800 -0.020 0.000 0.474 351 D HN 0.833 nan 8.370 nan 0.000 0.457 352 E N -0.287 119.861 120.200 -0.087 0.000 2.085 352 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 352 E C 2.012 178.558 176.600 -0.090 0.000 0.994 352 E CA 1.273 57.612 56.400 -0.100 0.000 0.801 352 E CB -0.158 29.512 29.700 -0.051 0.000 0.743 352 E HN 0.364 nan 8.360 nan 0.000 0.453 353 E N 0.406 120.570 120.200 -0.060 0.000 2.106 353 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 353 E C 2.241 178.792 176.600 -0.081 0.000 0.984 353 E CA 0.601 56.956 56.400 -0.075 0.000 0.806 353 E CB -0.121 29.501 29.700 -0.130 0.000 0.750 353 E HN 0.060 nan 8.360 nan 0.000 0.458 354 S N 0.742 116.391 115.700 -0.084 0.000 2.359 354 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 354 S C 1.921 176.485 174.600 -0.060 0.000 1.035 354 S CA 1.039 59.209 58.200 -0.050 0.000 1.018 354 S CB -0.107 63.068 63.200 -0.041 0.000 0.876 354 S HN 0.243 nan 8.310 nan 0.000 0.448 355 R N 0.656 121.020 120.500 -0.226 0.000 2.115 355 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 355 R C 2.573 178.842 176.300 -0.052 0.000 1.111 355 R CA 0.921 56.803 56.100 -0.363 0.000 0.976 355 R CB -0.194 29.604 30.300 -0.838 0.000 0.870 355 R HN 0.315 nan 8.270 nan 0.000 0.445 356 R N 1.189 121.666 120.500 -0.037 0.000 2.066 356 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 356 R C 2.079 178.431 176.300 0.087 0.000 1.131 356 R CA 1.330 57.454 56.100 0.040 0.000 0.955 356 R CB -0.175 30.143 30.300 0.030 0.000 0.851 356 R HN 0.149 nan 8.270 nan 0.000 0.432 357 I N 1.046 121.659 120.570 0.072 0.000 2.315 357 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 357 I C 2.025 178.220 176.117 0.130 0.000 1.117 357 I CA 1.321 62.682 61.300 0.101 0.000 1.404 357 I CB -0.224 37.821 38.000 0.075 0.000 1.071 357 I HN 0.308 nan 8.210 nan 0.000 0.419 358 E N 0.476 120.776 120.200 0.167 0.000 2.204 358 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 358 E C 1.685 178.398 176.600 0.188 0.000 0.990 358 E CA 0.867 57.390 56.400 0.205 0.000 0.821 358 E CB -0.066 29.842 29.700 0.346 0.000 0.750 358 E HN 0.611 nan 8.360 nan 0.000 0.477 359 Q N 0.427 120.349 119.800 0.203 0.000 2.365 359 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 359 Q C 0.479 176.549 176.000 0.116 0.000 0.929 359 Q CA 0.108 56.011 55.803 0.165 0.000 0.948 359 Q CB 0.254 29.109 28.738 0.194 0.000 1.043 359 Q HN 0.310 nan 8.270 nan 0.000 0.505 360 Q N -0.885 118.981 119.800 0.109 0.000 2.552 360 Q HA 0.539 4.879 4.340 -0.000 0.000 0.289 360 Q C -0.514 175.536 176.000 0.084 0.000 1.097 360 Q CA -0.926 54.932 55.803 0.093 0.000 0.812 360 Q CB 1.205 30.004 28.738 0.101 0.000 1.460 360 Q HN 0.005 nan 8.270 nan 0.000 0.452 361 S N -0.153 115.591 115.700 0.074 0.000 2.614 361 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 361 S C 0.040 174.683 174.600 0.071 0.000 1.303 361 S CA -0.053 58.186 58.200 0.065 0.000 1.000 361 S CB 0.679 63.912 63.200 0.055 0.000 0.935 361 S HN 0.651 nan 8.310 nan 0.000 0.551 362 D N 0.639 121.078 120.400 0.064 0.000 2.144 362 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 362 D C 1.784 178.122 176.300 0.063 0.000 0.984 362 D CA 1.593 55.634 54.000 0.067 0.000 0.834 362 D CB -0.302 40.535 40.800 0.063 0.000 0.955 362 D HN 0.870 nan 8.370 nan 0.000 0.465 363 E N 0.570 120.804 120.200 0.057 0.000 2.077 363 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 363 E C 1.798 178.432 176.600 0.058 0.000 0.989 363 E CA 0.914 57.346 56.400 0.052 0.000 0.800 363 E CB 0.060 29.787 29.700 0.046 0.000 0.746 363 E HN 0.344 nan 8.360 nan 0.000 0.452 364 Q N -0.187 119.653 119.800 0.067 0.000 2.084 364 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 364 Q C 2.266 178.323 176.000 0.094 0.000 0.978 364 Q CA 1.993 57.844 55.803 0.080 0.000 0.844 364 Q CB -0.118 28.672 28.738 0.086 0.000 0.898 364 Q HN 0.282 nan 8.270 nan 0.000 0.426 365 T N 1.137 115.751 114.554 0.099 0.000 2.777 365 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 365 T C 1.719 176.442 174.700 0.038 0.000 1.040 365 T CA 1.371 63.538 62.100 0.113 0.000 1.141 365 T CB -0.111 68.831 68.868 0.124 0.000 0.868 365 T HN 0.222 nan 8.240 nan 0.000 0.444 366 K N 1.039 121.463 120.400 0.039 0.000 2.057 366 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 366 K C 2.429 179.039 176.600 0.017 0.000 1.049 366 K CA 1.208 57.508 56.287 0.021 0.000 0.931 366 K CB -0.295 32.226 32.500 0.036 0.000 0.714 366 K HN 0.277 nan 8.250 nan 0.000 0.440 367 A N 1.097 123.939 122.820 0.036 0.000 1.898 367 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 367 A C 1.817 179.420 177.584 0.032 0.000 1.181 367 A CA 1.651 53.713 52.037 0.041 0.000 0.620 367 A CB -0.443 18.589 19.000 0.054 0.000 0.819 367 A HN 0.459 nan 8.150 nan 0.000 0.442 368 E N -0.283 119.939 120.200 0.036 0.000 2.077 368 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 368 E C 1.830 178.336 176.600 -0.157 0.000 0.989 368 E CA 1.281 57.708 56.400 0.046 0.000 0.800 368 E CB -0.295 29.511 29.700 0.177 0.000 0.746 368 E HN 0.700 nan 8.360 nan 0.000 0.452 369 I N 0.666 121.042 120.570 -0.324 0.000 2.315 369 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 369 I C 2.242 178.311 176.117 -0.079 0.000 1.117 369 I CA 0.593 61.664 61.300 -0.383 0.000 1.404 369 I CB -0.115 37.706 38.000 -0.299 0.000 1.071 369 I HN 0.174 nan 8.210 nan 0.000 0.419 370 M N -0.147 119.452 119.600 -0.002 0.000 2.213 370 M HA -0.212 4.267 4.480 -0.000 0.000 0.263 370 M C 2.212 178.512 176.300 -0.001 0.000 1.062 370 M CA 1.689 57.017 55.300 0.047 0.000 1.105 370 M CB -1.174 31.466 32.600 0.066 0.000 1.385 370 M HN 0.320 nan 8.290 nan 0.000 0.417 371 Q N -0.608 119.192 119.800 0.000 0.000 2.119 371 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 371 Q C 2.263 178.252 176.000 -0.018 0.000 0.972 371 Q CA 1.171 56.983 55.803 0.015 0.000 0.847 371 Q CB -0.035 28.744 28.738 0.069 0.000 0.903 371 Q HN 0.316 nan 8.270 nan 0.000 0.433 372 V N 1.014 120.887 119.914 -0.069 0.000 2.307 372 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 372 V C 2.171 178.081 176.094 -0.307 0.000 1.045 372 V CA 1.489 63.654 62.300 -0.226 0.000 1.024 372 V CB -0.432 31.214 31.823 -0.295 0.000 0.651 372 V HN 0.352 nan 8.190 nan 0.000 0.449 373 L N -0.585 120.523 121.223 -0.191 0.000 2.079 373 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 373 L C 2.747 179.569 176.870 -0.080 0.000 1.081 373 L CA 1.696 56.456 54.840 -0.133 0.000 0.752 373 L CB -0.567 41.484 42.059 -0.013 0.000 0.896 373 L HN 0.250 nan 8.230 nan 0.000 0.433 374 R N -0.093 120.350 120.500 -0.095 0.000 2.115 374 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 374 R C 2.256 178.523 176.300 -0.055 0.000 1.111 374 R CA 1.089 57.144 56.100 -0.075 0.000 0.976 374 R CB -0.124 30.141 30.300 -0.058 0.000 0.870 374 R HN 0.341 nan 8.270 nan 0.000 0.445 375 K N -0.024 120.335 120.400 -0.068 0.000 2.155 375 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 375 K C 1.999 178.556 176.600 -0.070 0.000 1.052 375 K CA 1.088 57.360 56.287 -0.025 0.000 0.948 375 K CB 0.079 32.608 32.500 0.047 0.000 0.728 375 K HN 0.131 nan 8.250 nan 0.000 0.448 376 M N -0.558 118.900 119.600 -0.236 0.000 2.236 376 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 376 M C 0.217 176.139 176.300 -0.629 0.000 1.070 376 M CA 1.368 56.383 55.300 -0.474 0.000 1.137 376 M CB 0.303 32.311 32.600 -0.987 0.000 1.378 376 M HN -0.046 nan 8.290 nan 0.000 0.426 377 F N 0.182 120.090 119.950 -0.070 0.000 2.532 377 F HA 0.271 4.798 4.527 -0.000 0.000 0.313 377 F C -1.561 174.206 175.800 -0.056 0.000 1.301 377 F CA -1.891 56.088 58.000 -0.034 0.000 1.154 377 F CB -0.104 38.865 39.000 -0.050 0.000 1.335 377 F HN -0.025 nan 8.300 nan 0.000 0.542 378 P HA -0.143 nan 4.420 nan 0.000 0.218 378 P C 1.737 179.057 177.300 0.034 0.000 1.148 378 P CA 1.336 64.453 63.100 0.027 0.000 0.822 378 P CB 0.227 31.933 31.700 0.010 0.000 0.784 379 G N -0.270 108.567 108.800 0.061 0.000 2.534 379 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.217 379 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.217 379 G C 0.792 175.710 174.900 0.029 0.000 1.128 379 G CA 0.303 45.428 45.100 0.042 0.000 0.784 379 G HN 0.256 nan 8.290 nan 0.000 0.542 380 K N 0.456 120.879 120.400 0.038 0.000 2.177 380 K HA 0.322 4.642 4.320 -0.000 0.000 0.238 380 K C -1.245 175.315 176.600 -0.067 0.000 1.015 380 K CA -0.926 55.352 56.287 -0.015 0.000 0.922 380 K CB 0.892 33.381 32.500 -0.018 0.000 1.127 380 K HN -0.127 nan 8.250 nan 0.000 0.469 381 D N 1.371 121.722 120.400 -0.083 0.000 2.443 381 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 381 D C -1.057 175.140 176.300 -0.172 0.000 1.097 381 D CA -0.515 53.431 54.000 -0.091 0.000 0.865 381 D CB 0.676 41.445 40.800 -0.053 0.000 1.034 381 D HN 0.034 nan 8.370 nan 0.000 0.511 382 V N 7.085 126.839 119.914 -0.268 0.000 2.385 382 V HA 0.283 4.403 4.120 -0.000 0.000 0.269 382 V C -1.698 174.250 176.094 -0.244 0.000 1.043 382 V CA -1.211 60.770 62.300 -0.531 0.000 0.906 382 V CB 1.106 32.492 31.823 -0.729 0.000 0.995 382 V HN 0.486 nan 8.190 nan 0.000 0.467 383 P HA 0.255 nan 4.420 nan 0.000 0.277 383 P C -0.543 176.896 177.300 0.231 0.000 1.240 383 P CA -0.503 62.652 63.100 0.092 0.000 0.798 383 P CB 0.994 32.813 31.700 0.197 0.000 0.979 384 D N 0.152 120.661 120.400 0.181 0.000 2.423 384 D HA 0.287 4.927 4.640 -0.000 0.000 0.238 384 D C 0.357 176.791 176.300 0.223 0.000 1.142 384 D CA 0.440 54.559 54.000 0.199 0.000 0.884 384 D CB 0.360 41.221 40.800 0.101 0.000 1.199 384 D HN 0.388 nan 8.370 nan 0.000 0.438 385 A N 1.275 124.135 122.820 0.067 0.000 2.425 385 A HA 0.266 4.586 4.320 -0.000 0.000 0.249 385 A C 1.324 178.829 177.584 -0.132 0.000 1.084 385 A CA 0.040 51.858 52.037 -0.365 0.000 0.781 385 A CB 0.245 18.902 19.000 -0.572 0.000 1.019 385 A HN 0.708 nan 8.150 nan 0.000 0.490 386 T N -1.152 113.325 114.554 -0.128 0.000 3.054 386 T HA 0.162 4.512 4.350 -0.000 0.000 0.259 386 T C 0.213 174.878 174.700 -0.059 0.000 1.092 386 T CA 1.012 63.079 62.100 -0.056 0.000 1.121 386 T CB -0.028 68.816 68.868 -0.039 0.000 0.912 386 T HN 0.611 nan 8.240 nan 0.000 0.489 387 D N -0.450 119.908 120.400 -0.070 0.000 2.661 387 D HA 0.633 5.273 4.640 -0.000 0.000 0.228 387 D C -1.741 174.701 176.300 0.236 0.000 1.210 387 D CA -0.754 53.263 54.000 0.028 0.000 0.826 387 D CB 2.543 43.261 40.800 -0.137 0.000 1.542 387 D HN 0.290 nan 8.370 nan 0.000 0.447 388 I N 2.039 122.796 120.570 0.313 0.000 2.722 388 I HA 0.539 4.709 4.170 -0.000 0.000 0.295 388 I C -2.096 174.146 176.117 0.209 0.000 1.161 388 I CA -0.974 60.474 61.300 0.247 0.000 1.032 388 I CB 1.945 40.008 38.000 0.104 0.000 1.244 388 I HN 0.286 nan 8.210 nan 0.000 0.421 389 L N 8.352 129.570 121.223 -0.008 0.000 2.404 389 L HA 0.593 4.933 4.340 -0.000 0.000 0.272 389 L C -1.688 175.198 176.870 0.026 0.000 0.980 389 L CA -0.402 54.427 54.840 -0.019 0.000 0.836 389 L CB 1.716 43.610 42.059 -0.276 0.000 1.238 389 L HN 0.318 nan 8.230 nan 0.000 0.408 390 V N 7.026 126.972 119.914 0.053 0.000 2.275 390 V HA 0.451 4.571 4.120 -0.000 0.000 0.272 390 V C -2.019 174.113 176.094 0.063 0.000 1.028 390 V CA -1.306 61.035 62.300 0.067 0.000 0.810 390 V CB 0.978 32.844 31.823 0.072 0.000 1.043 390 V HN 0.722 nan 8.190 nan 0.000 0.453 391 P HA 0.271 nan 4.420 nan 0.000 0.268 391 P C -0.126 177.185 177.300 0.018 0.000 1.204 391 P CA -0.090 63.015 63.100 0.008 0.000 0.768 391 P CB 0.447 32.240 31.700 0.156 0.000 0.842 392 R N 2.282 122.722 120.500 -0.101 0.000 3.220 392 R HA 0.160 4.500 4.340 -0.000 0.000 0.324 392 R C 0.345 176.683 176.300 0.063 0.000 1.283 392 R CA -0.123 55.996 56.100 0.032 0.000 1.387 392 R CB -0.117 30.196 30.300 0.022 0.000 1.413 392 R HN 0.622 nan 8.270 nan 0.000 0.610 393 W N -0.388 121.009 121.300 0.162 0.000 2.363 393 W HA -0.194 4.466 4.660 -0.000 0.000 0.296 393 W C 1.857 178.519 176.519 0.239 0.000 1.212 393 W CA 0.477 57.924 57.345 0.170 0.000 1.260 393 W CB -0.120 29.424 29.460 0.139 0.000 1.131 393 W HN 0.522 nan 8.180 nan 0.000 0.530 394 W N 0.842 122.307 121.300 0.275 0.000 2.418 394 W HA -0.116 4.544 4.660 -0.000 0.000 0.292 394 W C 2.079 178.672 176.519 0.123 0.000 1.213 394 W CA 1.896 59.345 57.345 0.174 0.000 1.283 394 W CB -0.631 28.899 29.460 0.116 0.000 1.119 394 W HN -0.348 nan 8.180 nan 0.000 0.542 395 S N -0.143 115.543 115.700 -0.022 0.000 2.489 395 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 395 S C 0.270 174.752 174.600 -0.196 0.000 0.995 395 S CA 0.621 58.637 58.200 -0.306 0.000 0.934 395 S CB -0.477 62.633 63.200 -0.150 0.000 0.771 395 S HN 0.177 nan 8.310 nan 0.000 0.522 396 D N 2.116 122.493 120.400 -0.038 0.000 2.339 396 D HA 0.036 4.676 4.640 -0.000 0.000 0.256 396 D C 1.245 177.490 176.300 -0.093 0.000 1.214 396 D CA -0.385 53.594 54.000 -0.035 0.000 0.877 396 D CB 0.692 41.594 40.800 0.169 0.000 1.111 396 D HN 0.312 nan 8.370 nan 0.000 0.478 397 R N 3.132 123.431 120.500 -0.334 0.000 2.293 397 R HA -0.103 4.237 4.340 -0.000 0.000 0.219 397 R C 1.032 177.143 176.300 -0.315 0.000 1.091 397 R CA 1.118 57.000 56.100 -0.364 0.000 1.004 397 R CB -0.421 29.609 30.300 -0.450 0.000 0.865 397 R HN 0.371 nan 8.270 nan 0.000 0.469 398 F N -1.105 118.780 119.950 -0.109 0.000 2.765 398 F HA 0.229 4.756 4.527 -0.000 0.000 0.302 398 F C 0.639 175.945 175.800 -0.824 0.000 1.111 398 F CA -0.223 57.531 58.000 -0.411 0.000 1.359 398 F CB 0.348 39.045 39.000 -0.505 0.000 1.097 398 F HN -0.061 nan 8.300 nan 0.000 0.577 399 Y N -1.698 118.751 120.300 0.250 0.000 2.844 399 Y HA 0.155 4.705 4.550 -0.000 0.000 0.256 399 Y C 0.842 176.858 175.900 0.193 0.000 1.134 399 Y CA -0.707 57.555 58.100 0.269 0.000 1.209 399 Y CB 0.221 38.961 38.460 0.467 0.000 1.418 399 Y HN -0.381 nan 8.280 nan 0.000 0.459 400 K N 1.191 121.779 120.400 0.314 0.000 3.069 400 K HA -0.130 4.190 4.320 -0.000 0.000 0.267 400 K C 0.128 176.938 176.600 0.351 0.000 1.082 400 K CA 1.133 57.557 56.287 0.229 0.000 0.782 400 K CB -1.766 30.806 32.500 0.121 0.000 1.230 400 K HN 0.816 nan 8.250 nan 0.000 0.488 401 G N -2.290 106.747 108.800 0.396 0.000 2.369 401 G HA2 0.144 4.104 3.960 -0.000 0.000 0.293 401 G HA3 0.144 4.104 3.960 -0.000 0.000 0.293 401 G C 0.372 175.348 174.900 0.127 0.000 1.301 401 G CA 0.454 45.708 45.100 0.256 0.000 0.913 401 G HN 0.205 nan 8.290 nan 0.000 0.540 402 T N -2.712 111.753 114.554 -0.148 0.000 3.019 402 T HA 0.629 4.979 4.350 -0.000 0.000 0.247 402 T C 0.364 174.968 174.700 -0.161 0.000 0.992 402 T CA 1.502 63.395 62.100 -0.345 0.000 1.036 402 T CB 0.189 68.741 68.868 -0.527 0.000 1.063 402 T HN 1.905 nan 8.240 nan 0.000 0.476 403 F N 0.772 120.697 119.950 -0.041 0.000 2.725 403 F HA 0.716 5.243 4.527 -0.000 0.000 0.309 403 F C -0.417 175.404 175.800 0.035 0.000 1.132 403 F CA -1.651 56.332 58.000 -0.029 0.000 0.957 403 F CB 0.500 39.425 39.000 -0.125 0.000 1.286 403 F HN 0.122 nan 8.300 nan 0.000 0.440 404 S N 1.201 117.115 115.700 0.357 0.000 2.600 404 S HA 0.606 5.076 4.470 -0.000 0.000 0.265 404 S C -0.668 174.106 174.600 0.291 0.000 1.325 404 S CA -0.206 58.187 58.200 0.322 0.000 1.002 404 S CB 1.338 64.857 63.200 0.532 0.000 0.921 404 S HN 0.953 nan 8.310 nan 0.000 0.554 405 N N -0.472 118.254 118.700 0.044 0.000 2.277 405 N HA 0.288 5.028 4.740 -0.000 0.000 0.286 405 N C -2.152 173.055 175.510 -0.505 0.000 1.140 405 N CA -0.633 52.385 53.050 -0.053 0.000 0.799 405 N CB 1.231 39.718 38.487 -0.000 0.000 1.596 405 N HN 0.797 nan 8.380 nan 0.000 0.473 406 W N 5.913 126.858 121.300 -0.592 0.000 2.308 406 W HA 0.479 5.139 4.660 -0.000 0.000 0.311 406 W C -2.600 173.621 176.519 -0.495 0.000 1.088 406 W CA -1.971 54.914 57.345 -0.767 0.000 1.309 406 W CB 0.594 29.867 29.460 -0.312 0.000 1.229 406 W HN 0.418 nan 8.180 nan 0.000 0.427 407 P HA 0.082 nan 4.420 nan 0.000 0.284 407 P C -0.496 176.864 177.300 0.099 0.000 1.258 407 P CA -0.365 62.706 63.100 -0.048 0.000 0.824 407 P CB 2.266 33.893 31.700 -0.122 0.000 1.038 408 V N 1.864 121.793 119.914 0.026 0.000 2.673 408 V HA 0.362 4.482 4.120 -0.000 0.000 0.303 408 V C 1.315 177.450 176.094 0.068 0.000 1.046 408 V CA 2.085 64.407 62.300 0.037 0.000 1.126 408 V CB -0.413 31.403 31.823 -0.011 0.000 0.934 408 V HN 1.034 nan 8.190 nan 0.000 0.487 409 G N 4.312 113.173 108.800 0.101 0.000 2.339 409 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.209 409 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.209 409 G C -0.002 174.995 174.900 0.161 0.000 1.015 409 G CA -0.031 45.130 45.100 0.103 0.000 0.635 409 G HN 1.242 nan 8.290 nan 0.000 0.499 410 V N 3.713 123.772 119.914 0.242 0.000 2.432 410 V HA 0.555 4.675 4.120 -0.000 0.000 0.275 410 V C 0.424 176.811 176.094 0.488 0.000 1.043 410 V CA -0.254 62.226 62.300 0.300 0.000 0.925 410 V CB 1.284 33.241 31.823 0.224 0.000 0.985 410 V HN 0.724 nan 8.190 nan 0.000 0.466 411 N N 4.869 123.798 118.700 0.382 0.000 2.530 411 N HA 0.281 5.021 4.740 -0.000 0.000 0.283 411 N C 0.876 176.705 175.510 0.532 0.000 1.238 411 N CA -0.961 52.348 53.050 0.432 0.000 0.971 411 N CB 0.555 39.210 38.487 0.279 0.000 1.195 411 N HN 0.347 nan 8.380 nan 0.000 0.583 412 R N -0.758 120.041 120.500 0.498 0.000 2.096 412 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 412 R C 1.871 178.379 176.300 0.346 0.000 1.127 412 R CA 1.371 57.776 56.100 0.509 0.000 0.968 412 R CB -1.335 29.169 30.300 0.340 0.000 0.861 412 R HN 0.711 nan 8.270 nan 0.000 0.440 413 Y N 0.912 121.311 120.300 0.164 0.000 2.145 413 Y HA -0.142 4.407 4.550 -0.000 0.000 0.286 413 Y C 2.154 178.083 175.900 0.049 0.000 1.145 413 Y CA 2.277 60.423 58.100 0.077 0.000 1.148 413 Y CB -0.312 38.177 38.460 0.049 0.000 0.981 413 Y HN 0.367 nan 8.280 nan 0.000 0.507 414 E N -1.211 119.092 120.200 0.171 0.000 2.150 414 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 414 E C 2.034 178.567 176.600 -0.111 0.000 0.985 414 E CA 1.190 57.595 56.400 0.008 0.000 0.814 414 E CB -0.593 29.189 29.700 0.137 0.000 0.752 414 E HN 0.629 nan 8.360 nan 0.000 0.466 415 Y N 1.561 121.726 120.300 -0.224 0.000 2.181 415 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 415 Y C 1.581 177.228 175.900 -0.421 0.000 1.146 415 Y CA 2.052 59.839 58.100 -0.523 0.000 1.164 415 Y CB -0.251 37.730 38.460 -0.797 0.000 0.982 415 Y HN 0.073 nan 8.280 nan 0.000 0.515 416 D N 0.138 120.349 120.400 -0.315 0.000 2.182 416 D HA -0.210 4.430 4.640 -0.000 0.000 0.201 416 D C 1.973 178.012 176.300 -0.436 0.000 0.986 416 D CA 1.542 55.302 54.000 -0.399 0.000 0.847 416 D CB -0.371 40.289 40.800 -0.233 0.000 0.942 416 D HN 0.562 nan 8.370 nan 0.000 0.467 417 Q N -0.173 119.374 119.800 -0.422 0.000 2.368 417 Q HA -0.073 4.267 4.340 -0.000 0.000 0.210 417 Q C 2.258 178.132 176.000 -0.211 0.000 0.982 417 Q CA 0.358 56.016 55.803 -0.242 0.000 0.884 417 Q CB 0.003 28.686 28.738 -0.091 0.000 0.933 417 Q HN 0.365 nan 8.270 nan 0.000 0.460 418 L N -0.125 120.836 121.223 -0.437 0.000 2.093 418 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 418 L C 2.530 179.121 176.870 -0.466 0.000 1.085 418 L CA 1.094 55.625 54.840 -0.516 0.000 0.755 418 L CB -0.211 41.430 42.059 -0.697 0.000 0.904 418 L HN 0.170 nan 8.230 nan 0.000 0.435 419 R N 0.431 120.669 120.500 -0.436 0.000 2.193 419 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 419 R C 0.920 177.159 176.300 -0.101 0.000 1.055 419 R CA 0.457 56.393 56.100 -0.274 0.000 0.995 419 R CB 0.054 30.173 30.300 -0.300 0.000 0.893 419 R HN 0.239 nan 8.270 nan 0.000 0.459 420 A N 2.891 125.656 122.820 -0.093 0.000 2.520 420 A HA 0.197 4.517 4.320 -0.000 0.000 0.245 420 A C -2.159 175.503 177.584 0.130 0.000 1.072 420 A CA -1.106 50.944 52.037 0.021 0.000 0.761 420 A CB 0.012 19.048 19.000 0.060 0.000 1.004 420 A HN 0.221 nan 8.150 nan 0.000 0.499 421 P HA 0.324 nan 4.420 nan 0.000 0.276 421 P C -0.790 176.492 177.300 -0.030 0.000 1.261 421 P CA -0.291 62.699 63.100 -0.184 0.000 0.800 421 P CB 0.946 32.143 31.700 -0.838 0.000 1.066 422 V N 1.044 120.882 119.914 -0.126 0.000 2.357 422 V HA 0.475 4.595 4.120 -0.000 0.000 0.281 422 V C 1.040 177.046 176.094 -0.146 0.000 1.015 422 V CA 0.611 62.873 62.300 -0.064 0.000 0.827 422 V CB 0.117 31.841 31.823 -0.164 0.000 1.018 422 V HN 1.091 nan 8.190 nan 0.000 0.432 423 G N 5.905 114.688 108.800 -0.028 0.000 2.596 423 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.304 423 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.304 423 G C 0.704 175.594 174.900 -0.017 0.000 1.189 423 G CA 0.760 45.880 45.100 0.033 0.000 0.986 423 G HN 0.627 nan 8.290 nan 0.000 0.548 424 R N -0.278 120.252 120.500 0.049 0.000 2.356 424 R HA 0.388 4.728 4.340 -0.000 0.000 0.234 424 R C 0.079 176.460 176.300 0.134 0.000 0.929 424 R CA 0.117 56.334 56.100 0.195 0.000 1.084 424 R CB 0.488 30.821 30.300 0.054 0.000 1.105 424 R HN 0.235 nan 8.270 nan 0.000 0.515 425 V N 1.763 121.557 119.914 -0.201 0.000 2.350 425 V HA 0.217 4.337 4.120 -0.000 0.000 0.276 425 V C -0.556 175.223 176.094 -0.525 0.000 1.028 425 V CA -0.616 61.489 62.300 -0.324 0.000 0.860 425 V CB 0.415 31.919 31.823 -0.532 0.000 0.990 425 V HN 0.063 nan 8.190 nan 0.000 0.453 426 Y N 4.191 124.254 120.300 -0.395 0.000 2.453 426 Y HA 0.708 5.258 4.550 -0.000 0.000 0.326 426 Y C -0.183 175.337 175.900 -0.634 0.000 1.186 426 Y CA -0.710 57.184 58.100 -0.344 0.000 1.200 426 Y CB 1.591 39.948 38.460 -0.172 0.000 1.247 426 Y HN 0.487 nan 8.280 nan 0.000 0.482 427 F N -0.105 119.872 119.950 0.044 0.000 2.563 427 F HA 0.649 5.176 4.527 -0.000 0.000 0.316 427 F C 0.221 175.988 175.800 -0.056 0.000 1.076 427 F CA -0.630 57.359 58.000 -0.018 0.000 0.921 427 F CB 2.450 41.399 39.000 -0.085 0.000 1.209 427 F HN 0.349 nan 8.300 nan 0.000 0.462 428 T N 0.223 114.833 114.554 0.092 0.000 2.754 428 T HA 0.812 5.162 4.350 -0.000 0.000 0.296 428 T C -0.778 173.849 174.700 -0.122 0.000 1.205 428 T CA -0.000 62.075 62.100 -0.041 0.000 1.009 428 T CB 1.625 70.472 68.868 -0.035 0.000 1.368 428 T HN 1.422 nan 8.240 nan 0.000 0.509 429 G N 1.174 109.881 108.800 -0.156 0.000 2.406 429 G HA2 0.128 4.088 3.960 -0.000 0.000 0.680 429 G HA3 0.128 4.088 3.960 -0.000 0.000 0.680 429 G C 0.188 174.961 174.900 -0.210 0.000 1.338 429 G CA 0.704 45.720 45.100 -0.140 0.000 0.941 429 G HN 1.002 nan 8.290 nan 0.000 0.633 430 E N -0.405 119.810 120.200 0.026 0.000 2.171 430 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 430 E C 1.694 178.354 176.600 0.099 0.000 0.997 430 E CA 2.602 59.059 56.400 0.095 0.000 0.810 430 E CB -0.716 29.072 29.700 0.147 0.000 0.738 430 E HN 1.080 nan 8.360 nan 0.000 0.467 431 H N -0.669 118.453 119.070 0.087 0.000 2.563 431 H HA 0.164 4.720 4.556 -0.000 0.000 0.272 431 H C 1.191 176.446 175.328 -0.123 0.000 1.005 431 H CA 1.143 57.222 56.048 0.051 0.000 1.171 431 H CB -0.209 29.552 29.762 -0.002 0.000 1.351 431 H HN 0.338 nan 8.280 nan 0.000 0.602 432 T N -2.791 111.485 114.554 -0.463 0.000 3.054 432 T HA 0.098 4.448 4.350 -0.000 0.000 0.255 432 T C 0.828 175.411 174.700 -0.194 0.000 1.035 432 T CA -0.138 61.690 62.100 -0.454 0.000 0.941 432 T CB -0.093 68.527 68.868 -0.414 0.000 1.026 432 T HN 0.270 nan 8.240 nan 0.000 0.533 433 S N 1.280 116.987 115.700 0.012 0.000 2.516 433 S HA 0.113 4.583 4.470 -0.000 0.000 0.282 433 S C 1.289 175.979 174.600 0.149 0.000 1.286 433 S CA -0.275 57.993 58.200 0.114 0.000 1.066 433 S CB 1.080 64.417 63.200 0.229 0.000 0.884 433 S HN 0.566 nan 8.310 nan 0.000 0.491 434 E N 3.039 123.250 120.200 0.018 0.000 2.085 434 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 434 E C 0.813 177.155 176.600 -0.431 0.000 0.994 434 E CA 1.591 57.902 56.400 -0.149 0.000 0.801 434 E CB 0.017 29.546 29.700 -0.286 0.000 0.743 434 E HN 0.885 nan 8.360 nan 0.000 0.453 435 H N -2.549 116.386 119.070 -0.225 0.000 3.398 435 H HA 0.122 4.678 4.556 -0.000 0.000 0.260 435 H C -0.385 174.653 175.328 -0.484 0.000 1.189 435 H CA 0.017 55.803 56.048 -0.436 0.000 1.145 435 H CB 0.536 29.803 29.762 -0.824 0.000 1.599 435 H HN 0.216 nan 8.280 nan 0.000 0.615 436 Y N 1.519 121.996 120.300 0.294 0.000 2.699 436 Y HA 0.097 4.647 4.550 -0.000 0.000 0.282 436 Y C 0.531 176.617 175.900 0.309 0.000 1.058 436 Y CA -1.088 57.195 58.100 0.305 0.000 1.194 436 Y CB -0.065 38.597 38.460 0.337 0.000 1.193 436 Y HN 0.144 nan 8.280 nan 0.000 0.562 437 N N 0.002 118.920 118.700 0.364 0.000 2.395 437 N HA 0.311 5.051 4.740 -0.000 0.000 0.246 437 N C 1.303 176.967 175.510 0.255 0.000 1.246 437 N CA 1.074 54.319 53.050 0.324 0.000 0.879 437 N CB 0.842 39.539 38.487 0.350 0.000 1.098 437 N HN 0.441 nan 8.380 nan 0.000 0.444 438 G N -0.407 108.467 108.800 0.123 0.000 2.241 438 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 438 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 438 G C -0.434 174.147 174.900 -0.532 0.000 0.998 438 G CA 0.323 45.310 45.100 -0.187 0.000 0.621 438 G HN 0.629 nan 8.290 nan 0.000 0.519 439 Y N -0.639 119.552 120.300 -0.181 0.000 2.488 439 Y HA 0.563 5.113 4.550 -0.000 0.000 0.325 439 Y C 1.744 177.477 175.900 -0.278 0.000 1.204 439 Y CA -0.322 57.564 58.100 -0.356 0.000 1.229 439 Y CB 1.553 39.520 38.460 -0.822 0.000 1.274 439 Y HN -0.088 nan 8.280 nan 0.000 0.493 440 V N 1.289 121.183 119.914 -0.033 0.000 2.332 440 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 440 V C 2.313 178.453 176.094 0.077 0.000 1.055 440 V CA 2.446 64.746 62.300 0.001 0.000 1.038 440 V CB -0.820 30.991 31.823 -0.019 0.000 0.651 440 V HN 0.925 nan 8.190 nan 0.000 0.450 441 H N -0.106 119.053 119.070 0.150 0.000 2.421 441 H HA -0.030 4.525 4.556 -0.000 0.000 0.298 441 H C 2.341 177.809 175.328 0.234 0.000 1.087 441 H CA 1.563 57.678 56.048 0.112 0.000 1.330 441 H CB -0.731 28.974 29.762 -0.095 0.000 1.388 441 H HN 0.419 nan 8.280 nan 0.000 0.526 442 G N 0.930 109.757 108.800 0.046 0.000 2.394 442 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 442 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 442 G C 2.036 177.055 174.900 0.198 0.000 1.165 442 G CA 1.221 46.478 45.100 0.261 0.000 0.784 442 G HN 0.613 nan 8.290 nan 0.000 0.535 443 A N 0.164 123.067 122.820 0.139 0.000 1.902 443 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 443 A C 2.174 179.841 177.584 0.138 0.000 1.181 443 A CA 1.737 53.842 52.037 0.113 0.000 0.623 443 A CB -0.754 18.305 19.000 0.098 0.000 0.818 443 A HN 0.474 nan 8.150 nan 0.000 0.443 444 Y N 0.652 120.995 120.300 0.072 0.000 2.070 444 Y HA -0.212 4.338 4.550 -0.000 0.000 0.280 444 Y C 1.967 177.918 175.900 0.085 0.000 1.148 444 Y CA 2.151 60.297 58.100 0.076 0.000 1.125 444 Y CB -0.418 38.094 38.460 0.087 0.000 0.975 444 Y HN 0.204 nan 8.280 nan 0.000 0.492 445 L N 0.067 121.371 121.223 0.136 0.000 2.191 445 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 445 L C 2.723 179.589 176.870 -0.005 0.000 1.103 445 L CA 1.393 56.257 54.840 0.040 0.000 0.769 445 L CB -0.863 41.374 42.059 0.296 0.000 0.908 445 L HN 0.414 nan 8.230 nan 0.000 0.438 446 S N -0.057 115.664 115.700 0.034 0.000 2.383 446 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 446 S C 2.106 176.664 174.600 -0.069 0.000 1.026 446 S CA 0.950 59.144 58.200 -0.011 0.000 0.981 446 S CB -0.889 62.298 63.200 -0.021 0.000 0.818 446 S HN 0.410 nan 8.310 nan 0.000 0.472 447 G N 1.720 110.460 108.800 -0.099 0.000 2.418 447 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.217 447 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.217 447 G C 1.419 176.223 174.900 -0.160 0.000 1.158 447 G CA 0.939 45.966 45.100 -0.122 0.000 0.771 447 G HN 0.569 nan 8.290 nan 0.000 0.545 448 I N 0.978 121.420 120.570 -0.213 0.000 2.202 448 I HA -0.099 4.071 4.170 -0.000 0.000 0.242 448 I C 2.244 178.288 176.117 -0.122 0.000 1.091 448 I CA 1.126 62.309 61.300 -0.194 0.000 1.368 448 I CB -0.113 37.744 38.000 -0.239 0.000 1.058 448 I HN 0.036 nan 8.210 nan 0.000 0.410 449 D N 0.438 120.788 120.400 -0.084 0.000 2.117 449 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 449 D C 2.382 178.645 176.300 -0.062 0.000 0.987 449 D CA 1.314 55.283 54.000 -0.052 0.000 0.829 449 D CB -0.294 40.495 40.800 -0.019 0.000 0.961 449 D HN 0.171 nan 8.370 nan 0.000 0.460 450 S N 0.698 116.358 115.700 -0.067 0.000 2.356 450 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 450 S C 2.143 176.675 174.600 -0.113 0.000 1.032 450 S CA 1.205 59.374 58.200 -0.052 0.000 1.005 450 S CB -0.279 62.898 63.200 -0.039 0.000 0.867 450 S HN 0.382 nan 8.310 nan 0.000 0.449 451 A N 1.568 124.299 122.820 -0.148 0.000 1.902 451 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 451 A C 1.992 179.455 177.584 -0.201 0.000 1.181 451 A CA 1.502 53.416 52.037 -0.204 0.000 0.623 451 A CB -0.555 18.331 19.000 -0.191 0.000 0.818 451 A HN 0.565 nan 8.150 nan 0.000 0.443 452 E N -0.480 119.634 120.200 -0.143 0.000 2.150 452 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 452 E C 1.811 178.339 176.600 -0.119 0.000 0.985 452 E CA 1.057 57.384 56.400 -0.121 0.000 0.814 452 E CB -0.275 29.376 29.700 -0.081 0.000 0.752 452 E HN 0.713 nan 8.360 nan 0.000 0.466 453 I N 0.780 121.291 120.570 -0.098 0.000 2.252 453 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 453 I C 2.370 178.404 176.117 -0.138 0.000 1.102 453 I CA 0.527 61.797 61.300 -0.049 0.000 1.385 453 I CB -0.082 37.949 38.000 0.051 0.000 1.064 453 I HN 0.147 nan 8.210 nan 0.000 0.414 454 L N 0.860 121.854 121.223 -0.381 0.000 2.093 454 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 454 L C 2.249 178.819 176.870 -0.500 0.000 1.085 454 L CA 1.762 56.130 54.840 -0.787 0.000 0.755 454 L CB -0.489 40.899 42.059 -1.119 0.000 0.904 454 L HN 0.114 nan 8.230 nan 0.000 0.435 455 I N 0.223 120.589 120.570 -0.340 0.000 2.163 455 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 455 I C 2.085 178.101 176.117 -0.169 0.000 1.085 455 I CA 1.411 62.566 61.300 -0.240 0.000 1.347 455 I CB -0.591 37.305 38.000 -0.174 0.000 1.044 455 I HN 0.361 nan 8.210 nan 0.000 0.408 456 N N -0.062 118.562 118.700 -0.128 0.000 2.223 456 N HA -0.193 4.547 4.740 -0.000 0.000 0.185 456 N C 1.866 177.341 175.510 -0.058 0.000 1.016 456 N CA 1.366 54.372 53.050 -0.074 0.000 0.863 456 N CB -0.759 37.700 38.487 -0.047 0.000 0.983 456 N HN 0.445 nan 8.380 nan 0.000 0.429 457 c N 0.584 119.141 118.600 -0.072 0.000 2.518 457 c HA 0.225 4.795 4.570 -0.000 0.000 0.279 457 c C 2.758 176.831 174.090 -0.029 0.000 1.279 457 c CA 0.982 57.305 56.329 -0.011 0.000 1.703 457 c CB -1.098 41.455 42.510 0.072 0.000 2.072 457 c HN 0.457 nan 8.230 nan 0.000 0.487 458 A N -0.337 122.391 122.820 -0.152 0.000 1.873 458 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 458 A C 2.109 179.665 177.584 -0.046 0.000 1.186 458 A CA 1.699 53.667 52.037 -0.115 0.000 0.616 458 A CB -0.664 18.113 19.000 -0.370 0.000 0.823 458 A HN 0.811 nan 8.150 nan 0.000 0.442 459 Q N -0.814 118.936 119.800 -0.084 0.000 2.212 459 Q HA 0.016 4.356 4.340 -0.000 0.000 0.199 459 Q C 1.146 177.131 176.000 -0.025 0.000 0.950 459 Q CA 1.140 56.915 55.803 -0.046 0.000 0.863 459 Q CB 0.049 28.750 28.738 -0.062 0.000 0.944 459 Q HN 0.607 nan 8.270 nan 0.000 0.465 460 K N 0.015 120.400 120.400 -0.026 0.000 2.358 460 K HA 0.120 4.440 4.320 -0.000 0.000 0.200 460 K C -0.334 176.267 176.600 0.001 0.000 1.030 460 K CA -0.158 56.122 56.287 -0.012 0.000 1.097 460 K CB 0.877 33.367 32.500 -0.017 0.000 0.862 460 K HN -0.142 nan 8.250 nan 0.000 0.534 461 K N 0.466 120.871 120.400 0.009 0.000 3.069 461 K HA -0.191 4.129 4.320 -0.000 0.000 0.267 461 K C -0.513 176.100 176.600 0.021 0.000 1.082 461 K CA 1.160 57.463 56.287 0.026 0.000 0.782 461 K CB -2.072 30.446 32.500 0.030 0.000 1.230 461 K HN 0.367 nan 8.250 nan 0.000 0.488 462 M N 0.536 120.143 119.600 0.012 0.000 2.027 462 M HA 0.170 4.649 4.480 -0.000 0.000 0.329 462 M C -0.022 176.289 176.300 0.019 0.000 0.971 462 M CA -0.416 54.892 55.300 0.012 0.000 0.933 462 M CB 1.008 33.610 32.600 0.002 0.000 1.392 462 M HN 0.103 nan 8.290 nan 0.000 0.394 463 c N 0.000 118.620 118.600 0.033 0.000 2.653 463 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 463 c CA 0.000 56.358 56.329 0.049 0.000 1.963 463 c CB 0.000 42.552 42.510 0.071 0.000 2.134 463 c HN 0.000 nan 8.230 nan 0.000 0.568