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 1h82_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 0.000 177.342 177.300 0.071 0.000 1.155 5 P CA 0.000 63.152 63.100 0.087 0.000 0.800 5 P CB 0.000 31.819 31.700 0.198 0.000 0.726 6 R N 0.765 121.306 120.500 0.068 0.000 2.349 6 R HA 0.674 5.014 4.340 -0.000 0.000 0.299 6 R C -1.047 175.301 176.300 0.080 0.000 1.027 6 R CA -0.469 55.659 56.100 0.048 0.000 0.958 6 R CB 0.946 31.264 30.300 0.031 0.000 1.047 6 R HN 0.260 nan 8.270 nan 0.000 0.468 7 V N 6.107 126.048 119.914 0.045 0.000 2.638 7 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 7 V C -0.178 175.913 176.094 -0.005 0.000 1.052 7 V CA -0.778 61.549 62.300 0.044 0.000 0.885 7 V CB 1.928 33.745 31.823 -0.010 0.000 0.999 7 V HN 0.722 nan 8.190 nan 0.000 0.424 8 I N 3.992 124.558 120.570 -0.007 0.000 2.353 8 I HA 0.473 4.642 4.170 -0.000 0.000 0.293 8 I C -0.558 175.524 176.117 -0.059 0.000 0.992 8 I CA -0.680 60.588 61.300 -0.053 0.000 1.268 8 I CB 1.891 39.855 38.000 -0.059 0.000 1.387 8 I HN 0.291 nan 8.210 nan 0.000 0.478 9 V N 7.212 127.079 119.914 -0.078 0.000 2.409 9 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 9 V C -0.057 175.987 176.094 -0.083 0.000 1.020 9 V CA -0.721 61.536 62.300 -0.071 0.000 0.848 9 V CB 1.738 33.526 31.823 -0.059 0.000 0.990 9 V HN 0.362 nan 8.190 nan 0.000 0.430 10 V N 4.537 124.408 119.914 -0.072 0.000 2.385 10 V HA 0.828 4.948 4.120 -0.000 0.000 0.269 10 V C 0.712 176.768 176.094 -0.064 0.000 1.043 10 V CA 0.467 62.719 62.300 -0.080 0.000 0.906 10 V CB 0.553 32.337 31.823 -0.065 0.000 0.995 10 V HN 1.301 nan 8.190 nan 0.000 0.467 11 G N 4.181 112.925 108.800 -0.093 0.000 2.907 11 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 11 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 11 G C -0.154 174.709 174.900 -0.061 0.000 1.115 11 G CA -0.264 44.784 45.100 -0.086 0.000 0.760 11 G HN 1.577 nan 8.290 nan 0.000 0.620 12 A N 1.575 124.353 122.820 -0.071 0.000 2.793 12 A HA 0.791 5.110 4.320 -0.000 0.000 0.301 12 A C 1.300 178.873 177.584 -0.019 0.000 1.172 12 A CA 1.112 53.116 52.037 -0.054 0.000 0.973 12 A CB -0.190 18.754 19.000 -0.092 0.000 1.164 12 A HN 2.172 nan 8.150 nan 0.000 0.542 13 G N -1.316 107.501 108.800 0.028 0.000 2.535 13 G HA2 0.371 4.331 3.960 -0.000 0.000 0.282 13 G HA3 0.371 4.331 3.960 -0.000 0.000 0.282 13 G C 0.885 175.827 174.900 0.070 0.000 1.350 13 G CA 0.116 45.265 45.100 0.081 0.000 1.039 13 G HN 0.304 nan 8.290 nan 0.000 0.509 14 M N 0.586 120.238 119.600 0.087 0.000 2.082 14 M HA -0.161 4.318 4.480 -0.000 0.000 0.258 14 M C 2.634 178.994 176.300 0.099 0.000 1.069 14 M CA 2.819 58.181 55.300 0.102 0.000 1.102 14 M CB -0.577 32.088 32.600 0.107 0.000 1.336 14 M HN 0.557 nan 8.290 nan 0.000 0.404 15 S N -0.980 114.766 115.700 0.076 0.000 2.387 15 S HA 0.038 4.508 4.470 -0.000 0.000 0.226 15 S C 2.167 176.773 174.600 0.011 0.000 1.026 15 S CA 0.890 59.112 58.200 0.036 0.000 0.972 15 S CB -1.671 61.544 63.200 0.027 0.000 0.814 15 S HN 0.605 nan 8.310 nan 0.000 0.477 16 G N 2.238 111.051 108.800 0.022 0.000 2.404 16 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.215 16 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.215 16 G C 1.384 176.296 174.900 0.020 0.000 1.174 16 G CA 0.876 45.978 45.100 0.004 0.000 0.780 16 G HN 0.458 nan 8.290 nan 0.000 0.537 17 I N 1.364 121.967 120.570 0.055 0.000 2.315 17 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 17 I C 2.883 179.074 176.117 0.124 0.000 1.117 17 I CA 1.443 62.823 61.300 0.134 0.000 1.404 17 I CB -0.863 37.201 38.000 0.106 0.000 1.071 17 I HN 0.266 nan 8.210 nan 0.000 0.419 18 S N 0.660 116.393 115.700 0.054 0.000 2.383 18 S HA -0.069 4.400 4.470 -0.000 0.000 0.227 18 S C 2.218 176.734 174.600 -0.140 0.000 1.026 18 S CA 1.296 59.475 58.200 -0.034 0.000 0.981 18 S CB -0.013 63.133 63.200 -0.089 0.000 0.818 18 S HN 0.448 nan 8.310 nan 0.000 0.472 19 A N 1.337 124.086 122.820 -0.118 0.000 1.872 19 A HA 0.316 4.635 4.320 -0.000 0.000 0.214 19 A C 2.470 179.935 177.584 -0.199 0.000 1.187 19 A CA 1.630 53.575 52.037 -0.153 0.000 0.614 19 A CB -1.392 17.539 19.000 -0.115 0.000 0.826 19 A HN 0.745 nan 8.150 nan 0.000 0.442 20 A N -0.079 122.641 122.820 -0.168 0.000 1.933 20 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 20 A C 2.114 179.333 177.584 -0.608 0.000 1.175 20 A CA 2.055 53.956 52.037 -0.225 0.000 0.628 20 A CB -0.442 18.553 19.000 -0.009 0.000 0.814 20 A HN 0.583 nan 8.150 nan 0.000 0.444 21 K N -0.646 119.279 120.400 -0.791 0.000 2.057 21 K HA -0.194 4.125 4.320 -0.000 0.000 0.206 21 K C 2.245 178.528 176.600 -0.528 0.000 1.050 21 K CA 1.565 57.193 56.287 -1.099 0.000 0.935 21 K CB -0.140 32.042 32.500 -0.531 0.000 0.715 21 K HN 0.264 nan 8.250 nan 0.000 0.439 22 R N 0.550 120.848 120.500 -0.338 0.000 2.115 22 R HA -0.052 4.287 4.340 -0.000 0.000 0.230 22 R C 1.939 178.107 176.300 -0.220 0.000 1.111 22 R CA 1.032 56.992 56.100 -0.234 0.000 0.976 22 R CB -0.570 29.610 30.300 -0.200 0.000 0.870 22 R HN 0.195 nan 8.270 nan 0.000 0.445 23 L N -0.051 121.024 121.223 -0.247 0.000 2.027 23 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 23 L C 2.327 179.083 176.870 -0.191 0.000 1.074 23 L CA 1.932 56.646 54.840 -0.210 0.000 0.745 23 L CB -1.349 40.586 42.059 -0.207 0.000 0.898 23 L HN 0.223 nan 8.230 nan 0.000 0.433 24 S N -0.642 114.907 115.700 -0.252 0.000 2.359 24 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 24 S C 1.804 176.322 174.600 -0.136 0.000 1.035 24 S CA 1.447 59.535 58.200 -0.187 0.000 1.018 24 S CB -0.086 62.955 63.200 -0.264 0.000 0.876 24 S HN 0.516 nan 8.310 nan 0.000 0.448 25 E N 0.468 120.572 120.200 -0.161 0.000 2.265 25 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 25 E C 1.706 178.254 176.600 -0.086 0.000 0.996 25 E CA 0.926 57.263 56.400 -0.105 0.000 0.832 25 E CB -0.139 29.498 29.700 -0.104 0.000 0.756 25 E HN 0.547 nan 8.360 nan 0.000 0.491 26 A N 0.013 122.772 122.820 -0.102 0.000 2.307 26 A HA 0.372 4.692 4.320 -0.000 0.000 0.218 26 A C 1.592 179.133 177.584 -0.071 0.000 1.228 26 A CA 0.587 52.573 52.037 -0.084 0.000 0.857 26 A CB -0.056 18.884 19.000 -0.101 0.000 0.897 26 A HN 0.297 nan 8.150 nan 0.000 0.495 27 G N -0.642 108.116 108.800 -0.069 0.000 2.175 27 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 27 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 27 G C 0.122 174.992 174.900 -0.051 0.000 0.982 27 G CA 0.150 45.220 45.100 -0.050 0.000 0.641 27 G HN 0.489 nan 8.290 nan 0.000 0.527 28 I N 2.782 123.309 120.570 -0.072 0.000 2.278 28 I HA 0.283 4.453 4.170 -0.000 0.000 0.296 28 I C 1.664 177.746 176.117 -0.059 0.000 1.121 28 I CA 0.583 61.845 61.300 -0.065 0.000 1.267 28 I CB 0.882 38.826 38.000 -0.093 0.000 1.447 28 I HN 0.252 nan 8.210 nan 0.000 0.509 29 T N -0.818 113.718 114.554 -0.030 0.000 3.023 29 T HA 0.038 4.388 4.350 -0.000 0.000 0.253 29 T C 0.686 175.386 174.700 0.000 0.000 1.038 29 T CA -0.230 61.864 62.100 -0.011 0.000 0.962 29 T CB -0.028 68.841 68.868 0.001 0.000 1.018 29 T HN 0.353 nan 8.240 nan 0.000 0.521 30 D N 1.923 122.321 120.400 -0.003 0.000 2.551 30 D HA 0.301 4.941 4.640 -0.000 0.000 0.223 30 D C -0.394 175.905 176.300 -0.001 0.000 1.144 30 D CA -0.326 53.676 54.000 0.004 0.000 1.025 30 D CB -0.665 40.141 40.800 0.009 0.000 1.085 30 D HN 0.458 nan 8.370 nan 0.000 0.506 31 L N 2.062 123.284 121.223 -0.002 0.000 2.330 31 L HA 0.583 4.923 4.340 -0.000 0.000 0.271 31 L C -0.606 176.249 176.870 -0.025 0.000 1.013 31 L CA -1.356 53.477 54.840 -0.013 0.000 0.816 31 L CB 1.889 43.949 42.059 0.003 0.000 1.287 31 L HN 0.136 nan 8.230 nan 0.000 0.435 32 L N 3.062 124.252 121.223 -0.056 0.000 2.482 32 L HA 0.552 4.891 4.340 -0.000 0.000 0.269 32 L C -1.170 175.623 176.870 -0.129 0.000 0.967 32 L CA 0.037 54.812 54.840 -0.107 0.000 0.851 32 L CB 1.441 43.406 42.059 -0.157 0.000 1.242 32 L HN 0.372 nan 8.230 nan 0.000 0.404 33 I N 6.177 126.677 120.570 -0.117 0.000 2.312 33 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 33 I C -0.690 175.333 176.117 -0.158 0.000 1.008 33 I CA -0.471 60.763 61.300 -0.111 0.000 1.226 33 I CB 1.274 39.235 38.000 -0.065 0.000 1.371 33 I HN 0.466 nan 8.210 nan 0.000 0.468 34 L N 6.297 127.413 121.223 -0.178 0.000 2.280 34 L HA 0.453 4.793 4.340 -0.000 0.000 0.287 34 L C -0.281 176.484 176.870 -0.176 0.000 1.023 34 L CA -0.503 54.216 54.840 -0.201 0.000 0.819 34 L CB 1.417 43.332 42.059 -0.240 0.000 1.212 34 L HN 0.528 nan 8.230 nan 0.000 0.420 35 E N 2.332 122.422 120.200 -0.182 0.000 2.171 35 E HA 0.513 4.863 4.350 -0.000 0.000 0.271 35 E C 0.346 176.773 176.600 -0.289 0.000 0.916 35 E CA -0.271 55.997 56.400 -0.221 0.000 0.774 35 E CB 2.081 31.665 29.700 -0.195 0.000 1.128 35 E HN 0.563 nan 8.360 nan 0.000 0.403 36 A N 3.533 126.090 122.820 -0.439 0.000 1.902 36 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 36 A C 1.343 178.582 177.584 -0.575 0.000 1.181 36 A CA 1.778 53.410 52.037 -0.675 0.000 0.623 36 A CB -1.107 17.055 19.000 -1.395 0.000 0.818 36 A HN 0.749 nan 8.150 nan 0.000 0.443 37 T N -1.659 112.595 114.554 -0.499 0.000 2.770 37 T HA 0.327 4.677 4.350 -0.000 0.000 0.281 37 T C 0.368 174.953 174.700 -0.191 0.000 0.981 37 T CA 0.254 62.183 62.100 -0.284 0.000 0.955 37 T CB 0.707 69.361 68.868 -0.357 0.000 1.060 37 T HN 0.358 nan 8.240 nan 0.000 0.531 38 D N -0.933 119.447 120.400 -0.032 0.000 2.325 38 D HA 0.067 4.707 4.640 -0.000 0.000 0.234 38 D C 0.659 177.033 176.300 0.122 0.000 1.122 38 D CA -0.141 53.893 54.000 0.056 0.000 0.850 38 D CB -0.567 40.312 40.800 0.131 0.000 0.921 38 D HN 0.845 nan 8.370 nan 0.000 0.513 39 H N -1.554 117.538 119.070 0.036 0.000 2.981 39 H HA 0.382 4.938 4.556 -0.000 0.000 0.327 39 H C -0.357 174.991 175.328 0.033 0.000 1.342 39 H CA -1.188 54.907 56.048 0.079 0.000 1.123 39 H CB 0.519 30.381 29.762 0.165 0.000 1.851 39 H HN 0.012 nan 8.280 nan 0.000 0.531 40 I N -2.481 118.142 120.570 0.090 0.000 3.078 40 I HA 0.657 4.826 4.170 -0.000 0.000 0.318 40 I C 1.100 177.306 176.117 0.147 0.000 1.016 40 I CA 0.050 61.322 61.300 -0.048 0.000 1.130 40 I CB 1.374 39.237 38.000 -0.228 0.000 1.397 40 I HN 0.945 nan 8.210 nan 0.000 0.570 41 G N 0.681 109.524 108.800 0.072 0.000 2.284 41 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 41 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 41 G C 1.011 176.049 174.900 0.229 0.000 1.009 41 G CA 0.215 45.422 45.100 0.178 0.000 0.625 41 G HN 2.064 nan 8.290 nan 0.000 0.501 42 G N 0.570 109.531 108.800 0.267 0.000 2.660 42 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.321 42 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.321 42 G C 0.959 176.064 174.900 0.342 0.000 1.246 42 G CA 1.535 46.863 45.100 0.381 0.000 1.000 42 G HN 1.221 nan 8.290 nan 0.000 0.550 43 R N 0.292 120.922 120.500 0.216 0.000 2.357 43 R HA 0.178 4.518 4.340 -0.000 0.000 0.202 43 R C 0.948 177.284 176.300 0.060 0.000 1.047 43 R CA 0.634 56.707 56.100 -0.045 0.000 1.034 43 R CB -0.155 30.007 30.300 -0.229 0.000 0.875 43 R HN 0.427 nan 8.270 nan 0.000 0.473 44 M N 0.401 120.093 119.600 0.154 0.000 2.080 44 M HA 0.180 4.660 4.480 -0.000 0.000 0.350 44 M C -1.024 175.478 176.300 0.338 0.000 1.143 44 M CA -0.285 55.094 55.300 0.131 0.000 1.064 44 M CB 1.218 33.808 32.600 -0.017 0.000 1.429 44 M HN -0.069 nan 8.290 nan 0.000 0.418 45 H N 2.912 122.119 119.070 0.228 0.000 3.128 45 H HA 0.354 4.910 4.556 -0.000 0.000 0.336 45 H C -1.381 174.044 175.328 0.163 0.000 1.026 45 H CA -0.927 55.248 56.048 0.212 0.000 1.376 45 H CB 1.385 31.309 29.762 0.270 0.000 1.882 45 H HN 0.602 nan 8.280 nan 0.000 0.479 46 K N 2.619 122.784 120.400 -0.392 0.000 2.132 46 K HA 0.718 5.038 4.320 -0.000 0.000 0.241 46 K C -0.776 175.570 176.600 -0.423 0.000 1.000 46 K CA -0.733 55.383 56.287 -0.285 0.000 0.911 46 K CB 2.076 34.480 32.500 -0.161 0.000 1.093 46 K HN 0.437 nan 8.250 nan 0.000 0.460 47 T N -0.429 113.979 114.554 -0.244 0.000 2.821 47 T HA 0.175 4.525 4.350 -0.000 0.000 0.306 47 T C -1.735 172.878 174.700 -0.146 0.000 1.313 47 T CA -0.911 61.075 62.100 -0.190 0.000 1.012 47 T CB 1.348 70.139 68.868 -0.129 0.000 1.298 47 T HN 0.726 nan 8.240 nan 0.000 0.502 48 N N 2.312 120.955 118.700 -0.095 0.000 2.444 48 N HA 0.417 5.157 4.740 -0.000 0.000 0.271 48 N C -1.576 173.926 175.510 -0.012 0.000 1.069 48 N CA -0.103 52.901 53.050 -0.078 0.000 0.965 48 N CB 0.642 39.089 38.487 -0.067 0.000 1.092 48 N HN 0.499 nan 8.380 nan 0.000 0.476 49 F N 3.309 123.121 119.950 -0.230 0.000 2.557 49 F HA 0.490 5.017 4.527 -0.000 0.000 0.316 49 F C 0.170 175.863 175.800 -0.178 0.000 1.141 49 F CA -0.410 57.464 58.000 -0.209 0.000 0.922 49 F CB 1.043 39.852 39.000 -0.317 0.000 1.194 49 F HN 0.641 nan 8.300 nan 0.000 0.443 50 A N 3.945 126.353 122.820 -0.687 0.000 2.791 50 A HA 0.160 4.480 4.320 -0.000 0.000 0.292 50 A C 1.661 179.070 177.584 -0.292 0.000 1.487 50 A CA 1.424 53.105 52.037 -0.594 0.000 0.760 50 A CB -2.220 16.287 19.000 -0.820 0.000 1.031 50 A HN 2.786 nan 8.150 nan 0.000 0.503 51 G N -1.993 106.686 108.800 -0.201 0.000 2.189 51 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.267 51 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.267 51 G C 0.437 175.266 174.900 -0.119 0.000 0.975 51 G CA 1.035 46.056 45.100 -0.130 0.000 0.644 51 G HN 2.579 nan 8.290 nan 0.000 0.537 52 I N -2.966 117.511 120.570 -0.155 0.000 2.969 52 I HA 0.681 4.851 4.170 -0.000 0.000 0.307 52 I C -1.283 174.721 176.117 -0.188 0.000 1.149 52 I CA -1.385 59.816 61.300 -0.165 0.000 1.008 52 I CB 1.928 39.786 38.000 -0.238 0.000 1.232 52 I HN -0.141 nan 8.210 nan 0.000 0.435 53 N N 3.600 122.199 118.700 -0.168 0.000 2.455 53 N HA 0.560 5.299 4.740 -0.000 0.000 0.280 53 N C -0.484 174.881 175.510 -0.242 0.000 1.055 53 N CA -0.206 52.745 53.050 -0.165 0.000 0.961 53 N CB 1.844 40.273 38.487 -0.097 0.000 1.121 53 N HN 0.566 nan 8.380 nan 0.000 0.476 54 V N -0.938 118.793 119.914 -0.306 0.000 3.074 54 V HA 0.577 4.697 4.120 -0.000 0.000 0.314 54 V C -0.094 175.883 176.094 -0.194 0.000 1.117 54 V CA -1.022 61.051 62.300 -0.378 0.000 1.014 54 V CB 2.241 33.491 31.823 -0.955 0.000 1.057 54 V HN 0.319 nan 8.190 nan 0.000 0.438 55 E N 1.743 121.936 120.200 -0.011 0.000 2.223 55 E HA 0.373 4.723 4.350 -0.000 0.000 0.282 55 E C 0.510 177.271 176.600 0.267 0.000 1.046 55 E CA -0.072 56.406 56.400 0.129 0.000 0.857 55 E CB 1.777 31.578 29.700 0.169 0.000 1.055 55 E HN 0.709 nan 8.360 nan 0.000 0.409 56 L N 1.555 122.952 121.223 0.290 0.000 2.209 56 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 56 L C 1.478 178.774 176.870 0.711 0.000 1.094 56 L CA 1.037 56.159 54.840 0.471 0.000 0.790 56 L CB -0.008 42.290 42.059 0.398 0.000 0.932 56 L HN 0.502 nan 8.230 nan 0.000 0.447 57 G N -0.908 108.237 108.800 0.574 0.000 3.271 57 G HA2 0.535 4.494 3.960 -0.000 0.000 0.174 57 G HA3 0.535 4.494 3.960 -0.000 0.000 0.174 57 G C -0.311 174.734 174.900 0.241 0.000 1.385 57 G CA 0.133 45.424 45.100 0.319 0.000 0.979 57 G HN 0.182 nan 8.290 nan 0.000 0.610 58 A N -0.710 122.188 122.820 0.131 0.000 2.561 58 A HA 0.293 4.613 4.320 -0.000 0.000 0.234 58 A C 0.647 178.447 177.584 0.360 0.000 1.055 58 A CA 1.111 53.254 52.037 0.177 0.000 0.756 58 A CB -0.070 18.917 19.000 -0.022 0.000 0.986 58 A HN 0.742 nan 8.150 nan 0.000 0.505 59 N N -0.273 118.654 118.700 0.378 0.000 2.104 59 N HA 0.128 4.868 4.740 -0.000 0.000 0.227 59 N C -0.651 174.688 175.510 -0.285 0.000 1.321 59 N CA -0.278 52.753 53.050 -0.031 0.000 0.877 59 N CB 0.368 38.595 38.487 -0.434 0.000 1.117 59 N HN 0.756 nan 8.380 nan 0.000 0.486 60 W N 1.433 122.819 121.300 0.144 0.000 2.781 60 W HA 0.540 5.200 4.660 -0.000 0.000 0.345 60 W C -0.816 175.848 176.519 0.242 0.000 1.085 60 W CA -0.537 56.877 57.345 0.115 0.000 1.198 60 W CB 1.449 31.025 29.460 0.193 0.000 1.423 60 W HN -0.425 nan 8.180 nan 0.000 0.532 61 V N 2.416 122.582 119.914 0.419 0.000 2.350 61 V HA 0.182 4.302 4.120 -0.000 0.000 0.276 61 V C -0.094 176.186 176.094 0.310 0.000 1.028 61 V CA -0.489 62.037 62.300 0.377 0.000 0.860 61 V CB 1.018 33.014 31.823 0.288 0.000 0.990 61 V HN 0.379 nan 8.190 nan 0.000 0.453 62 E N 3.142 123.492 120.200 0.251 0.000 2.183 62 E HA 0.657 5.007 4.350 -0.000 0.000 0.271 62 E C 0.338 176.826 176.600 -0.185 0.000 0.919 62 E CA -0.472 55.991 56.400 0.105 0.000 0.781 62 E CB 2.012 31.777 29.700 0.108 0.000 1.140 62 E HN 0.972 nan 8.360 nan 0.000 0.402 63 G N 1.080 109.800 108.800 -0.132 0.000 2.830 63 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.298 63 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.298 63 G C -0.735 174.075 174.900 -0.151 0.000 1.031 63 G CA -0.557 44.427 45.100 -0.194 0.000 1.179 63 G HN 0.332 nan 8.290 nan 0.000 0.527 64 V N 2.611 122.476 119.914 -0.081 0.000 2.971 64 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 64 V C 0.595 176.646 176.094 -0.072 0.000 1.130 64 V CA -0.317 61.832 62.300 -0.252 0.000 0.964 64 V CB 2.059 33.561 31.823 -0.535 0.000 1.029 64 V HN 0.994 nan 8.190 nan 0.000 0.427 65 N N 0.755 119.405 118.700 -0.084 0.000 2.952 65 N HA -0.124 4.616 4.740 -0.000 0.000 0.245 65 N C 0.225 175.762 175.510 0.046 0.000 1.029 65 N CA 1.184 54.245 53.050 0.018 0.000 0.870 65 N CB -1.017 37.511 38.487 0.068 0.000 1.121 65 N HN 1.058 nan 8.380 nan 0.000 0.559 66 G N -0.804 108.028 108.800 0.054 0.000 2.671 66 G HA2 0.570 4.530 3.960 -0.000 0.000 0.275 66 G HA3 0.570 4.530 3.960 -0.000 0.000 0.275 66 G C 1.122 176.065 174.900 0.072 0.000 1.368 66 G CA 0.075 45.216 45.100 0.068 0.000 1.044 66 G HN 0.114 nan 8.290 nan 0.000 0.543 67 G N -1.219 107.618 108.800 0.062 0.000 2.470 67 G HA2 0.031 3.991 3.960 -0.000 0.000 0.220 67 G HA3 0.031 3.991 3.960 -0.000 0.000 0.220 67 G C 0.773 175.725 174.900 0.087 0.000 1.121 67 G CA 0.695 45.829 45.100 0.057 0.000 0.766 67 G HN 0.434 nan 8.290 nan 0.000 0.553 68 K N -0.927 119.564 120.400 0.151 0.000 2.328 68 K HA 0.529 4.849 4.320 -0.000 0.000 0.246 68 K C -1.059 175.698 176.600 0.263 0.000 0.955 68 K CA -1.091 55.332 56.287 0.227 0.000 0.817 68 K CB 2.128 34.822 32.500 0.323 0.000 1.208 68 K HN 0.036 nan 8.250 nan 0.000 0.432 69 M N 2.949 122.627 119.600 0.131 0.000 2.120 69 M HA 0.156 4.636 4.480 -0.000 0.000 0.354 69 M C -0.456 175.601 176.300 -0.404 0.000 1.287 69 M CA -0.339 54.937 55.300 -0.039 0.000 1.103 69 M CB 0.364 32.958 32.600 -0.010 0.000 1.623 69 M HN 0.379 nan 8.290 nan 0.000 0.471 70 N N 7.329 125.584 118.700 -0.742 0.000 2.452 70 N HA 0.138 4.878 4.740 -0.000 0.000 0.266 70 N C -1.980 173.186 175.510 -0.573 0.000 1.175 70 N CA -1.487 50.766 53.050 -1.328 0.000 0.945 70 N CB 0.981 38.806 38.487 -1.104 0.000 1.063 70 N HN 0.475 nan 8.380 nan 0.000 0.472 71 P HA -0.157 nan 4.420 nan 0.000 0.218 71 P C 1.371 178.490 177.300 -0.302 0.000 1.146 71 P CA 0.812 63.749 63.100 -0.270 0.000 0.813 71 P CB 0.402 32.018 31.700 -0.140 0.000 0.778 72 I N -1.710 118.697 120.570 -0.271 0.000 2.617 72 I HA -0.108 4.062 4.170 -0.000 0.000 0.256 72 I C 2.525 178.634 176.117 -0.014 0.000 1.167 72 I CA 0.363 61.572 61.300 -0.152 0.000 1.469 72 I CB -1.607 36.402 38.000 0.015 0.000 1.098 72 I HN 0.109 nan 8.210 nan 0.000 0.436 73 W N 3.469 124.625 121.300 -0.240 0.000 2.317 73 W HA -0.205 4.455 4.660 -0.000 0.000 0.318 73 W C -0.704 175.694 176.519 -0.203 0.000 1.227 73 W CA 1.507 58.721 57.345 -0.218 0.000 1.269 73 W CB -1.258 28.051 29.460 -0.252 0.000 1.155 73 W HN 0.067 nan 8.180 nan 0.000 0.484 74 P HA -0.196 nan 4.420 nan 0.000 0.216 74 P C 1.612 178.693 177.300 -0.365 0.000 1.150 74 P CA 2.089 64.968 63.100 -0.369 0.000 0.837 74 P CB -0.347 31.240 31.700 -0.189 0.000 0.786 75 I N -1.510 118.894 120.570 -0.277 0.000 2.226 75 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 75 I C 2.174 178.095 176.117 -0.328 0.000 1.100 75 I CA 1.266 62.386 61.300 -0.300 0.000 1.374 75 I CB -0.707 37.165 38.000 -0.215 0.000 1.057 75 I HN -0.155 nan 8.210 nan 0.000 0.413 76 V N 0.959 120.695 119.914 -0.297 0.000 2.283 76 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 76 V C 2.192 177.993 176.094 -0.487 0.000 1.039 76 V CA 2.206 64.328 62.300 -0.297 0.000 1.016 76 V CB -0.729 30.997 31.823 -0.161 0.000 0.650 76 V HN 0.414 nan 8.190 nan 0.000 0.449 77 N N -0.384 117.795 118.700 -0.869 0.000 2.270 77 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 77 N C 1.811 176.962 175.510 -0.599 0.000 1.016 77 N CA 1.702 54.163 53.050 -0.981 0.000 0.870 77 N CB 0.113 37.487 38.487 -1.854 0.000 0.979 77 N HN 0.439 nan 8.380 nan 0.000 0.431 78 S N -1.853 113.536 115.700 -0.518 0.000 2.655 78 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 78 S C 1.787 176.220 174.600 -0.279 0.000 1.044 78 S CA 0.517 58.510 58.200 -0.345 0.000 0.910 78 S CB -0.422 62.599 63.200 -0.299 0.000 0.833 78 S HN 0.248 nan 8.310 nan 0.000 0.581 79 T N 3.622 117.991 114.554 -0.309 0.000 2.595 79 T HA 0.040 4.390 4.350 -0.000 0.000 0.264 79 T C 1.676 176.198 174.700 -0.296 0.000 1.058 79 T CA 1.274 63.185 62.100 -0.315 0.000 1.166 79 T CB -0.493 68.088 68.868 -0.479 0.000 0.863 79 T HN 0.183 nan 8.240 nan 0.000 0.415 80 L N -0.036 120.997 121.223 -0.318 0.000 2.477 80 L HA 0.217 4.557 4.340 -0.000 0.000 0.220 80 L C 0.441 177.201 176.870 -0.183 0.000 1.106 80 L CA 0.134 54.838 54.840 -0.225 0.000 0.851 80 L CB -0.348 41.594 42.059 -0.196 0.000 0.994 80 L HN 0.256 nan 8.230 nan 0.000 0.462 81 K N 1.745 122.006 120.400 -0.231 0.000 3.689 81 K HA -0.166 4.154 4.320 -0.000 0.000 0.276 81 K C -0.429 176.067 176.600 -0.173 0.000 0.932 81 K CA 0.348 56.505 56.287 -0.216 0.000 0.758 81 K CB -1.723 30.675 32.500 -0.170 0.000 1.500 81 K HN 0.311 nan 8.250 nan 0.000 0.448 82 L N 0.851 121.966 121.223 -0.181 0.000 2.397 82 L HA 0.214 4.554 4.340 -0.000 0.000 0.271 82 L C 1.221 178.014 176.870 -0.129 0.000 1.148 82 L CA -0.449 54.319 54.840 -0.120 0.000 0.825 82 L CB 0.675 42.673 42.059 -0.102 0.000 1.117 82 L HN 0.285 nan 8.230 nan 0.000 0.456 83 R N 3.131 123.577 120.500 -0.090 0.000 2.449 83 R HA 0.099 4.439 4.340 -0.000 0.000 0.296 83 R C -0.742 175.480 176.300 -0.129 0.000 1.047 83 R CA 0.098 56.122 56.100 -0.126 0.000 1.018 83 R CB 0.195 30.470 30.300 -0.042 0.000 0.962 83 R HN 0.889 nan 8.270 nan 0.000 0.428 84 N N 2.189 120.714 118.700 -0.291 0.000 2.708 84 N HA 0.412 5.152 4.740 -0.000 0.000 0.257 84 N C -1.766 173.526 175.510 -0.364 0.000 1.373 84 N CA -0.832 52.149 53.050 -0.114 0.000 0.843 84 N CB 1.042 39.623 38.487 0.156 0.000 1.503 84 N HN 0.274 nan 8.380 nan 0.000 0.504 85 F N -0.981 119.169 119.950 0.333 0.000 2.581 85 F HA 0.501 5.027 4.527 -0.000 0.000 0.311 85 F C 0.365 176.281 175.800 0.195 0.000 1.113 85 F CA -0.861 57.294 58.000 0.259 0.000 0.935 85 F CB 2.169 41.237 39.000 0.113 0.000 1.232 85 F HN 0.429 nan 8.300 nan 0.000 0.445 86 R N 1.493 122.071 120.500 0.131 0.000 2.442 86 R HA 0.364 4.704 4.340 -0.000 0.000 0.291 86 R C -0.548 175.728 176.300 -0.040 0.000 1.069 86 R CA 0.046 55.886 56.100 -0.432 0.000 1.022 86 R CB 0.591 30.615 30.300 -0.460 0.000 0.976 86 R HN 0.720 nan 8.270 nan 0.000 0.443 87 S N 2.953 118.682 115.700 0.049 0.000 2.523 87 S HA 0.052 4.522 4.470 -0.000 0.000 0.275 87 S C -0.572 173.959 174.600 -0.115 0.000 1.281 87 S CA -0.483 57.789 58.200 0.120 0.000 1.050 87 S CB 1.136 64.540 63.200 0.339 0.000 0.937 87 S HN 0.533 nan 8.310 nan 0.000 0.492 88 D N 1.494 121.809 120.400 -0.142 0.000 2.381 88 D HA 0.309 4.949 4.640 -0.000 0.000 0.235 88 D C -0.618 175.572 176.300 -0.184 0.000 1.068 88 D CA -0.676 53.277 54.000 -0.079 0.000 0.832 88 D CB 0.440 41.294 40.800 0.089 0.000 1.101 88 D HN 0.383 nan 8.370 nan 0.000 0.515 89 F N 1.326 121.361 119.950 0.141 0.000 2.664 89 F HA 0.146 4.673 4.527 -0.000 0.000 0.303 89 F C 1.612 177.455 175.800 0.071 0.000 1.092 89 F CA -0.438 57.609 58.000 0.079 0.000 1.305 89 F CB 0.499 39.486 39.000 -0.022 0.000 1.054 89 F HN 0.251 nan 8.300 nan 0.000 0.565 90 D N -0.478 120.037 120.400 0.193 0.000 2.263 90 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 90 D C 1.025 177.163 176.300 -0.269 0.000 0.971 90 D CA 1.435 55.406 54.000 -0.047 0.000 0.867 90 D CB -0.209 40.496 40.800 -0.159 0.000 0.929 90 D HN 0.339 nan 8.370 nan 0.000 0.492 91 Y N 0.002 120.344 120.300 0.071 0.000 2.571 91 Y HA 0.281 4.831 4.550 -0.000 0.000 0.275 91 Y C 1.842 177.781 175.900 0.065 0.000 1.179 91 Y CA -0.346 57.790 58.100 0.060 0.000 1.242 91 Y CB -0.284 38.214 38.460 0.062 0.000 1.126 91 Y HN -0.117 nan 8.280 nan 0.000 0.524 92 L N -0.196 121.109 121.223 0.138 0.000 2.081 92 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 92 L C 2.560 179.463 176.870 0.054 0.000 1.080 92 L CA 1.404 56.292 54.840 0.081 0.000 0.754 92 L CB -0.526 41.474 42.059 -0.098 0.000 0.893 92 L HN 0.385 nan 8.230 nan 0.000 0.433 93 A N -0.667 122.159 122.820 0.010 0.000 2.084 93 A HA -0.257 4.062 4.320 -0.000 0.000 0.221 93 A C 2.045 179.653 177.584 0.040 0.000 1.161 93 A CA 1.628 53.665 52.037 0.001 0.000 0.653 93 A CB -0.389 18.594 19.000 -0.029 0.000 0.802 93 A HN 0.590 nan 8.150 nan 0.000 0.457 94 Q N -0.702 119.144 119.800 0.076 0.000 2.360 94 Q HA 0.118 4.458 4.340 -0.000 0.000 0.202 94 Q C -0.137 175.890 176.000 0.046 0.000 0.915 94 Q CA 0.089 55.933 55.803 0.069 0.000 0.943 94 Q CB 0.260 29.064 28.738 0.111 0.000 1.064 94 Q HN 0.596 nan 8.270 nan 0.000 0.511 95 N N 0.405 119.159 118.700 0.090 0.000 2.553 95 N HA 0.150 4.890 4.740 -0.000 0.000 0.298 95 N C -1.284 174.344 175.510 0.197 0.000 1.596 95 N CA 0.129 53.263 53.050 0.140 0.000 0.910 95 N CB 1.903 40.577 38.487 0.312 0.000 1.336 95 N HN -0.095 nan 8.380 nan 0.000 0.497 96 V N 1.942 121.899 119.914 0.071 0.000 2.357 96 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 96 V C -0.486 175.704 176.094 0.161 0.000 1.018 96 V CA -0.676 61.737 62.300 0.189 0.000 0.841 96 V CB 0.267 32.164 31.823 0.123 0.000 0.991 96 V HN 0.139 nan 8.190 nan 0.000 0.437 97 Y N 3.271 123.731 120.300 0.267 0.000 2.319 97 Y HA 0.359 4.909 4.550 -0.000 0.000 0.328 97 Y C 0.988 176.999 175.900 0.185 0.000 1.133 97 Y CA -0.425 57.785 58.100 0.183 0.000 1.265 97 Y CB 0.736 39.281 38.460 0.143 0.000 1.218 97 Y HN 0.506 nan 8.280 nan 0.000 0.508 98 K N 1.712 122.138 120.400 0.042 0.000 2.258 98 K HA -0.002 4.318 4.320 -0.000 0.000 0.264 98 K C 1.075 177.699 176.600 0.041 0.000 1.007 98 K CA -0.340 55.863 56.287 -0.140 0.000 0.941 98 K CB 0.749 32.954 32.500 -0.491 0.000 0.966 98 K HN 0.771 nan 8.250 nan 0.000 0.480 99 E N 1.541 121.726 120.200 -0.025 0.000 2.118 99 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 99 E C 0.626 177.346 176.600 0.200 0.000 0.992 99 E CA 1.622 58.035 56.400 0.021 0.000 0.804 99 E CB 0.249 29.945 29.700 -0.008 0.000 0.741 99 E HN 0.480 nan 8.360 nan 0.000 0.458 100 D N -1.025 119.419 120.400 0.074 0.000 2.240 100 D HA 0.097 4.737 4.640 -0.000 0.000 0.206 100 D C 0.524 176.844 176.300 0.033 0.000 0.963 100 D CA 1.168 55.200 54.000 0.053 0.000 0.863 100 D CB 0.946 41.760 40.800 0.024 0.000 0.973 100 D HN 0.238 nan 8.370 nan 0.000 0.501 101 G N -0.812 107.993 108.800 0.009 0.000 2.169 101 G HA2 0.442 4.402 3.960 -0.000 0.000 0.286 101 G HA3 0.442 4.402 3.960 -0.000 0.000 0.286 101 G C -0.121 174.754 174.900 -0.042 0.000 1.742 101 G CA -0.093 45.004 45.100 -0.006 0.000 0.904 101 G HN 0.359 nan 8.290 nan 0.000 0.735 102 G N -1.019 107.776 108.800 -0.007 0.000 2.781 102 G HA2 0.389 4.349 3.960 -0.000 0.000 0.683 102 G HA3 0.389 4.349 3.960 -0.000 0.000 0.683 102 G C 0.205 174.979 174.900 -0.210 0.000 1.390 102 G CA -0.006 45.047 45.100 -0.078 0.000 0.850 102 G HN 2.255 nan 8.290 nan 0.000 0.557 103 V N -1.210 118.508 119.914 -0.326 0.000 2.863 103 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 103 V C 0.667 176.647 176.094 -0.191 0.000 1.061 103 V CA -1.286 60.800 62.300 -0.356 0.000 1.024 103 V CB 1.146 32.710 31.823 -0.432 0.000 1.049 103 V HN 0.924 nan 8.190 nan 0.000 0.471 104 Y N 0.588 120.822 120.300 -0.109 0.000 2.357 104 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 104 Y C 0.982 176.873 175.900 -0.014 0.000 1.260 104 Y CA 0.622 58.702 58.100 -0.034 0.000 1.425 104 Y CB 0.350 38.835 38.460 0.042 0.000 1.326 104 Y HN 0.948 nan 8.280 nan 0.000 0.580 105 D N 1.620 122.137 120.400 0.195 0.000 2.520 105 D HA -0.102 4.538 4.640 -0.000 0.000 0.243 105 D C 1.159 177.556 176.300 0.161 0.000 1.160 105 D CA 0.407 54.490 54.000 0.137 0.000 0.877 105 D CB 0.539 41.414 40.800 0.126 0.000 1.150 105 D HN 0.687 nan 8.370 nan 0.000 0.494 106 E N 3.145 123.401 120.200 0.093 0.000 2.118 106 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 106 E C 1.270 177.903 176.600 0.055 0.000 0.992 106 E CA 1.324 57.764 56.400 0.066 0.000 0.804 106 E CB 0.072 29.797 29.700 0.043 0.000 0.741 106 E HN 0.730 nan 8.360 nan 0.000 0.458 107 D N -0.567 119.873 120.400 0.067 0.000 2.144 107 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 107 D C 1.897 178.233 176.300 0.060 0.000 0.978 107 D CA 0.929 54.958 54.000 0.049 0.000 0.833 107 D CB -0.257 40.573 40.800 0.050 0.000 0.961 107 D HN 0.312 nan 8.370 nan 0.000 0.470 108 Y N 1.503 121.805 120.300 0.003 0.000 2.145 108 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 108 Y C 2.280 178.161 175.900 -0.033 0.000 1.145 108 Y CA 1.500 59.597 58.100 -0.004 0.000 1.148 108 Y CB -0.499 37.976 38.460 0.024 0.000 0.981 108 Y HN -0.163 nan 8.280 nan 0.000 0.507 109 V N 0.523 120.412 119.914 -0.041 0.000 2.407 109 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 109 V C 2.342 178.331 176.094 -0.176 0.000 1.055 109 V CA 2.149 64.351 62.300 -0.163 0.000 1.049 109 V CB -0.883 30.911 31.823 -0.049 0.000 0.662 109 V HN 0.372 nan 8.190 nan 0.000 0.455 110 Q N 0.338 120.072 119.800 -0.110 0.000 2.124 110 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 110 Q C 2.179 178.102 176.000 -0.129 0.000 0.977 110 Q CA 1.596 57.338 55.803 -0.101 0.000 0.850 110 Q CB -0.224 28.473 28.738 -0.068 0.000 0.901 110 Q HN 0.397 nan 8.270 nan 0.000 0.429 111 K N -0.101 120.202 120.400 -0.161 0.000 2.097 111 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 111 K C 1.898 178.374 176.600 -0.208 0.000 1.050 111 K CA 0.786 56.973 56.287 -0.167 0.000 0.938 111 K CB -0.041 32.364 32.500 -0.158 0.000 0.718 111 K HN 0.170 nan 8.250 nan 0.000 0.442 112 R N 0.847 121.159 120.500 -0.315 0.000 2.075 112 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 112 R C 2.426 178.632 176.300 -0.157 0.000 1.126 112 R CA 0.839 56.775 56.100 -0.274 0.000 0.963 112 R CB -0.898 29.183 30.300 -0.365 0.000 0.858 112 R HN 0.265 nan 8.270 nan 0.000 0.435 113 I N 1.134 121.618 120.570 -0.145 0.000 2.226 113 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 113 I C 2.116 178.187 176.117 -0.077 0.000 1.100 113 I CA 1.384 62.628 61.300 -0.093 0.000 1.374 113 I CB -0.279 37.666 38.000 -0.092 0.000 1.057 113 I HN 0.229 nan 8.210 nan 0.000 0.413 114 E N 0.401 120.549 120.200 -0.087 0.000 2.077 114 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 114 E C 2.148 178.713 176.600 -0.059 0.000 0.989 114 E CA 0.965 57.323 56.400 -0.069 0.000 0.800 114 E CB -0.165 29.494 29.700 -0.069 0.000 0.746 114 E HN 0.274 nan 8.360 nan 0.000 0.452 115 L N 1.295 122.477 121.223 -0.068 0.000 2.012 115 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 115 L C 2.287 179.139 176.870 -0.029 0.000 1.073 115 L CA 2.186 56.995 54.840 -0.052 0.000 0.748 115 L CB -1.296 40.723 42.059 -0.067 0.000 0.891 115 L HN 0.045 nan 8.230 nan 0.000 0.431 116 A N -0.830 121.973 122.820 -0.028 0.000 1.933 116 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 116 A C 1.931 179.518 177.584 0.005 0.000 1.175 116 A CA 1.736 53.779 52.037 0.009 0.000 0.628 116 A CB -0.596 18.412 19.000 0.012 0.000 0.814 116 A HN 0.509 nan 8.150 nan 0.000 0.444 117 D N -0.025 120.358 120.400 -0.029 0.000 2.144 117 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 117 D C 2.502 178.790 176.300 -0.020 0.000 0.978 117 D CA 1.699 55.676 54.000 -0.039 0.000 0.833 117 D CB -0.315 40.453 40.800 -0.054 0.000 0.961 117 D HN 0.587 nan 8.370 nan 0.000 0.470 118 S N -0.022 115.665 115.700 -0.021 0.000 2.383 118 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 118 S C 2.230 176.828 174.600 -0.003 0.000 1.026 118 S CA 0.719 58.908 58.200 -0.017 0.000 0.981 118 S CB -0.647 62.537 63.200 -0.026 0.000 0.818 118 S HN 0.072 nan 8.310 nan 0.000 0.472 119 V N 2.434 122.354 119.914 0.011 0.000 2.343 119 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 119 V C 2.832 178.956 176.094 0.050 0.000 1.051 119 V CA 2.245 64.561 62.300 0.026 0.000 1.036 119 V CB -0.887 30.961 31.823 0.041 0.000 0.654 119 V HN 0.651 nan 8.190 nan 0.000 0.451 120 E N 0.183 120.433 120.200 0.083 0.000 2.118 120 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 120 E C 2.118 178.752 176.600 0.056 0.000 0.992 120 E CA 1.691 58.164 56.400 0.122 0.000 0.804 120 E CB -0.065 29.719 29.700 0.139 0.000 0.741 120 E HN 0.746 nan 8.360 nan 0.000 0.458 121 E N 0.010 120.222 120.200 0.021 0.000 2.106 121 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 121 E C 2.152 178.753 176.600 0.001 0.000 0.984 121 E CA 1.126 57.528 56.400 0.004 0.000 0.806 121 E CB -0.110 29.584 29.700 -0.010 0.000 0.750 121 E HN 0.365 nan 8.360 nan 0.000 0.458 122 M N 0.485 120.086 119.600 0.001 0.000 2.213 122 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 122 M C 2.377 178.674 176.300 -0.004 0.000 1.062 122 M CA 1.398 56.695 55.300 -0.005 0.000 1.105 122 M CB -0.301 32.294 32.600 -0.008 0.000 1.385 122 M HN 0.236 nan 8.290 nan 0.000 0.417 123 G N 0.109 108.913 108.800 0.007 0.000 2.418 123 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 123 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 123 G C 1.293 176.188 174.900 -0.009 0.000 1.158 123 G CA 0.782 45.882 45.100 -0.001 0.000 0.771 123 G HN 0.493 nan 8.290 nan 0.000 0.545 124 E N 0.344 120.545 120.200 0.002 0.000 2.110 124 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 124 E C 2.518 179.107 176.600 -0.017 0.000 0.988 124 E CA 0.880 57.275 56.400 -0.007 0.000 0.804 124 E CB -0.052 29.648 29.700 0.000 0.000 0.745 124 E HN 0.397 nan 8.360 nan 0.000 0.458 125 K N 0.462 120.853 120.400 -0.015 0.000 2.057 125 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 125 K C 2.213 178.799 176.600 -0.023 0.000 1.050 125 K CA 0.743 57.019 56.287 -0.017 0.000 0.935 125 K CB -0.131 32.360 32.500 -0.015 0.000 0.715 125 K HN 0.038 nan 8.250 nan 0.000 0.439 126 L N 0.959 122.167 121.223 -0.025 0.000 2.056 126 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 126 L C 2.331 179.173 176.870 -0.046 0.000 1.078 126 L CA 1.694 56.513 54.840 -0.034 0.000 0.749 126 L CB -0.749 41.289 42.059 -0.035 0.000 0.901 126 L HN 0.020 nan 8.230 nan 0.000 0.433 127 S N -0.608 115.062 115.700 -0.049 0.000 2.370 127 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 127 S C 2.149 176.716 174.600 -0.055 0.000 1.033 127 S CA 1.252 59.413 58.200 -0.064 0.000 1.011 127 S CB -0.534 62.625 63.200 -0.069 0.000 0.852 127 S HN 0.687 nan 8.310 nan 0.000 0.457 128 A N 0.388 123.183 122.820 -0.041 0.000 2.024 128 A HA -0.083 4.236 4.320 -0.000 0.000 0.220 128 A C 2.242 179.814 177.584 -0.019 0.000 1.164 128 A CA 2.138 54.157 52.037 -0.031 0.000 0.643 128 A CB -1.135 17.850 19.000 -0.024 0.000 0.806 128 A HN 0.751 nan 8.150 nan 0.000 0.451 129 T N -2.337 112.203 114.554 -0.025 0.000 3.107 129 T HA 0.425 4.775 4.350 -0.000 0.000 0.249 129 T C 0.467 175.149 174.700 -0.031 0.000 1.096 129 T CA -0.294 61.797 62.100 -0.014 0.000 1.012 129 T CB -0.566 68.288 68.868 -0.023 0.000 0.977 129 T HN 0.236 nan 8.240 nan 0.000 0.527 130 L N 1.849 123.040 121.223 -0.053 0.000 2.439 130 L HA 0.418 4.758 4.340 -0.000 0.000 0.261 130 L C 0.557 177.440 176.870 0.022 0.000 1.153 130 L CA -1.209 53.566 54.840 -0.109 0.000 0.808 130 L CB 0.302 42.303 42.059 -0.097 0.000 1.126 130 L HN 0.236 nan 8.230 nan 0.000 0.460 131 H N 0.747 119.804 119.070 -0.021 0.000 2.652 131 H HA 0.115 4.671 4.556 -0.000 0.000 0.349 131 H C 0.757 176.079 175.328 -0.009 0.000 1.099 131 H CA -0.122 55.918 56.048 -0.014 0.000 1.417 131 H CB 1.264 31.020 29.762 -0.009 0.000 1.457 131 H HN 0.733 nan 8.280 nan 0.000 0.568 132 A N 2.584 125.485 122.820 0.135 0.000 1.986 132 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 132 A C 2.331 179.969 177.584 0.089 0.000 1.171 132 A CA 2.065 54.149 52.037 0.078 0.000 0.640 132 A CB -0.838 18.191 19.000 0.049 0.000 0.811 132 A HN 0.756 nan 8.150 nan 0.000 0.451 133 S N -1.697 114.061 115.700 0.096 0.000 2.442 133 S HA 0.213 4.682 4.470 -0.000 0.000 0.236 133 S C 1.686 176.347 174.600 0.102 0.000 1.007 133 S CA 1.402 59.652 58.200 0.084 0.000 0.965 133 S CB -0.718 62.520 63.200 0.064 0.000 0.773 133 S HN 2.039 nan 8.310 nan 0.000 0.504 134 G N 2.381 111.239 108.800 0.097 0.000 2.176 134 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.253 134 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.253 134 G C 0.878 175.810 174.900 0.053 0.000 0.979 134 G CA 0.464 45.607 45.100 0.071 0.000 0.641 134 G HN 0.769 nan 8.290 nan 0.000 0.530 135 R N 0.408 120.947 120.500 0.065 0.000 2.249 135 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 135 R C 0.823 177.119 176.300 -0.006 0.000 1.121 135 R CA 1.921 58.046 56.100 0.042 0.000 0.997 135 R CB -0.204 30.135 30.300 0.065 0.000 0.867 135 R HN 0.345 nan 8.270 nan 0.000 0.465 136 D N 0.284 120.654 120.400 -0.050 0.000 2.398 136 D HA 0.036 4.676 4.640 -0.000 0.000 0.210 136 D C -0.271 175.983 176.300 -0.076 0.000 1.094 136 D CA -0.247 53.696 54.000 -0.094 0.000 0.839 136 D CB -0.008 40.676 40.800 -0.192 0.000 0.963 136 D HN 0.180 nan 8.370 nan 0.000 0.506 137 D N 1.556 121.924 120.400 -0.052 0.000 2.370 137 D HA 0.101 4.740 4.640 -0.000 0.000 0.235 137 D C 0.432 176.697 176.300 -0.058 0.000 1.228 137 D CA 0.553 54.516 54.000 -0.061 0.000 0.884 137 D CB 0.556 41.330 40.800 -0.044 0.000 1.201 137 D HN 0.028 nan 8.370 nan 0.000 0.456 138 M N -1.149 118.407 119.600 -0.073 0.000 2.773 138 M HA 0.380 4.860 4.480 -0.000 0.000 0.270 138 M C -0.593 175.653 176.300 -0.090 0.000 1.238 138 M CA -1.009 54.250 55.300 -0.069 0.000 0.832 138 M CB 1.496 34.055 32.600 -0.068 0.000 1.672 138 M HN 0.278 nan 8.290 nan 0.000 0.480 139 S N 0.375 116.023 115.700 -0.087 0.000 2.608 139 S HA 0.384 4.854 4.470 -0.000 0.000 0.261 139 S C 0.924 175.435 174.600 -0.148 0.000 1.314 139 S CA -0.682 57.449 58.200 -0.115 0.000 0.992 139 S CB 0.521 63.661 63.200 -0.099 0.000 0.935 139 S HN 0.745 nan 8.310 nan 0.000 0.564 140 I N 0.472 120.917 120.570 -0.208 0.000 2.394 140 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 140 I C 2.327 178.309 176.117 -0.225 0.000 1.136 140 I CA 0.857 61.996 61.300 -0.269 0.000 1.425 140 I CB -0.484 37.233 38.000 -0.471 0.000 1.079 140 I HN 0.609 nan 8.210 nan 0.000 0.425 141 L N 1.490 122.600 121.223 -0.189 0.000 2.046 141 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 141 L C 2.575 179.395 176.870 -0.085 0.000 1.077 141 L CA 2.149 56.914 54.840 -0.125 0.000 0.747 141 L CB -0.786 41.219 42.059 -0.089 0.000 0.896 141 L HN 0.169 nan 8.230 nan 0.000 0.432 142 A N -0.484 122.286 122.820 -0.082 0.000 1.933 142 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 142 A C 2.366 179.918 177.584 -0.052 0.000 1.175 142 A CA 2.072 54.074 52.037 -0.059 0.000 0.628 142 A CB -0.764 18.201 19.000 -0.058 0.000 0.814 142 A HN 0.604 nan 8.150 nan 0.000 0.444 143 M N -0.231 119.327 119.600 -0.069 0.000 2.132 143 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 143 M C 2.024 178.306 176.300 -0.029 0.000 1.065 143 M CA 2.007 57.276 55.300 -0.051 0.000 1.122 143 M CB -0.865 31.693 32.600 -0.070 0.000 1.365 143 M HN 0.587 nan 8.290 nan 0.000 0.411 144 Q N -0.192 119.582 119.800 -0.044 0.000 2.084 144 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 144 Q C 2.121 178.127 176.000 0.010 0.000 0.978 144 Q CA 1.687 57.483 55.803 -0.013 0.000 0.844 144 Q CB -0.240 28.485 28.738 -0.021 0.000 0.898 144 Q HN 0.573 nan 8.270 nan 0.000 0.426 145 R N 0.207 120.708 120.500 0.001 0.000 2.081 145 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 145 R C 2.319 178.653 176.300 0.057 0.000 1.131 145 R CA 1.098 57.210 56.100 0.019 0.000 0.960 145 R CB -0.451 29.847 30.300 -0.004 0.000 0.856 145 R HN 0.188 nan 8.270 nan 0.000 0.436 146 L N 1.563 122.811 121.223 0.042 0.000 2.046 146 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 146 L C 1.338 178.319 176.870 0.185 0.000 1.077 146 L CA 1.847 56.734 54.840 0.078 0.000 0.747 146 L CB -0.501 41.575 42.059 0.029 0.000 0.896 146 L HN 0.079 nan 8.230 nan 0.000 0.432 147 N N -0.188 118.569 118.700 0.095 0.000 2.409 147 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 147 N C 1.310 176.831 175.510 0.019 0.000 1.032 147 N CA 1.029 54.109 53.050 0.050 0.000 0.898 147 N CB 0.029 38.523 38.487 0.013 0.000 0.971 147 N HN 0.580 nan 8.380 nan 0.000 0.441 148 E N -0.646 119.598 120.200 0.072 0.000 2.498 148 E HA 0.071 4.421 4.350 -0.000 0.000 0.203 148 E C -0.648 176.027 176.600 0.126 0.000 1.013 148 E CA -0.130 56.291 56.400 0.034 0.000 0.927 148 E CB 0.242 29.965 29.700 0.038 0.000 1.012 148 E HN 0.217 nan 8.360 nan 0.000 0.482 149 H N 0.940 120.005 119.070 -0.009 0.000 2.750 149 H HA -0.126 4.430 4.556 -0.000 0.000 0.327 149 H C -0.608 174.716 175.328 -0.006 0.000 1.199 149 H CA 0.534 56.578 56.048 -0.008 0.000 1.149 149 H CB -1.660 28.098 29.762 -0.007 0.000 1.543 149 H HN 0.148 nan 8.280 nan 0.000 0.427 150 Q N -0.269 119.582 119.800 0.084 0.000 2.495 150 Q HA 0.352 4.692 4.340 -0.000 0.000 0.287 150 Q C -1.916 174.092 176.000 0.014 0.000 1.078 150 Q CA -1.653 54.176 55.803 0.043 0.000 0.793 150 Q CB 2.027 30.789 28.738 0.041 0.000 1.459 150 Q HN 0.116 nan 8.270 nan 0.000 0.422 151 P HA 0.014 nan 4.420 nan 0.000 0.253 151 P C -0.709 176.591 177.300 -0.000 0.000 1.260 151 P CA 0.550 63.647 63.100 -0.004 0.000 0.800 151 P CB 0.346 32.044 31.700 -0.004 0.000 1.162 152 N N -2.382 116.322 118.700 0.007 0.000 2.708 152 N HA 0.496 5.236 4.740 -0.000 0.000 0.257 152 N C -0.109 175.408 175.510 0.012 0.000 1.373 152 N CA -0.911 52.143 53.050 0.007 0.000 0.843 152 N CB 0.440 38.933 38.487 0.011 0.000 1.503 152 N HN -0.191 nan 8.380 nan 0.000 0.504 153 G N -0.950 107.856 108.800 0.011 0.000 2.574 153 G HA2 0.524 4.484 3.960 -0.000 0.000 0.248 153 G HA3 0.524 4.484 3.960 -0.000 0.000 0.248 153 G C -2.437 172.481 174.900 0.029 0.000 1.422 153 G CA -1.628 43.483 45.100 0.017 0.000 1.051 153 G HN 0.519 nan 8.290 nan 0.000 0.560 154 P HA 0.231 nan 4.420 nan 0.000 0.261 154 P C -0.001 177.325 177.300 0.044 0.000 1.173 154 P CA 0.912 64.041 63.100 0.048 0.000 0.760 154 P CB 1.273 33.017 31.700 0.073 0.000 0.783 155 A N 1.976 124.819 122.820 0.037 0.000 2.530 155 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 155 A C 0.753 178.357 177.584 0.033 0.000 1.352 155 A CA 0.302 52.359 52.037 0.034 0.000 1.035 155 A CB -0.347 18.670 19.000 0.028 0.000 1.296 155 A HN 0.499 nan 8.150 nan 0.000 0.563 156 T N -2.554 112.021 114.554 0.035 0.000 2.874 156 T HA 0.447 4.797 4.350 -0.000 0.000 0.281 156 T C -1.847 172.870 174.700 0.029 0.000 0.994 156 T CA -1.309 60.814 62.100 0.038 0.000 1.015 156 T CB 1.177 70.077 68.868 0.054 0.000 1.028 156 T HN -0.116 nan 8.240 nan 0.000 0.523 157 P HA -0.083 nan 4.420 nan 0.000 0.216 157 P C 1.756 179.046 177.300 -0.016 0.000 1.150 157 P CA 0.382 63.490 63.100 0.014 0.000 0.837 157 P CB -0.099 31.620 31.700 0.032 0.000 0.786 158 V N 0.060 119.938 119.914 -0.059 0.000 2.323 158 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 158 V C 1.729 177.769 176.094 -0.089 0.000 1.041 158 V CA 2.197 64.389 62.300 -0.180 0.000 1.025 158 V CB -1.045 30.519 31.823 -0.433 0.000 0.656 158 V HN -0.016 nan 8.190 nan 0.000 0.451 159 D N -0.269 120.107 120.400 -0.041 0.000 2.144 159 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 159 D C 2.183 178.504 176.300 0.034 0.000 0.984 159 D CA 1.876 55.869 54.000 -0.011 0.000 0.834 159 D CB -0.248 40.555 40.800 0.006 0.000 0.955 159 D HN 0.447 nan 8.370 nan 0.000 0.465 160 M N -0.022 119.603 119.600 0.042 0.000 2.175 160 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 160 M C 2.389 178.760 176.300 0.118 0.000 1.063 160 M CA 0.721 56.071 55.300 0.082 0.000 1.119 160 M CB -0.146 32.493 32.600 0.064 0.000 1.377 160 M HN -0.103 nan 8.290 nan 0.000 0.415 161 V N -0.016 119.940 119.914 0.070 0.000 2.548 161 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 161 V C 2.117 178.307 176.094 0.159 0.000 1.055 161 V CA 1.246 63.604 62.300 0.097 0.000 1.065 161 V CB 0.043 31.890 31.823 0.040 0.000 0.681 161 V HN 0.244 nan 8.190 nan 0.000 0.462 162 V N 0.318 120.292 119.914 0.101 0.000 2.358 162 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 162 V C 2.318 178.518 176.094 0.176 0.000 1.047 162 V CA 2.420 64.792 62.300 0.120 0.000 1.035 162 V CB -0.668 31.171 31.823 0.028 0.000 0.658 162 V HN 0.686 nan 8.190 nan 0.000 0.452 163 D N -1.013 119.491 120.400 0.174 0.000 2.117 163 D HA -0.251 4.389 4.640 -0.000 0.000 0.197 163 D C 2.006 178.473 176.300 0.278 0.000 0.987 163 D CA 1.522 55.669 54.000 0.246 0.000 0.829 163 D CB -0.216 40.726 40.800 0.237 0.000 0.961 163 D HN 0.522 nan 8.370 nan 0.000 0.460 164 Y N -0.593 119.790 120.300 0.137 0.000 2.181 164 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 164 Y C 2.108 178.049 175.900 0.068 0.000 1.146 164 Y CA 1.961 60.133 58.100 0.119 0.000 1.164 164 Y CB -0.551 37.964 38.460 0.091 0.000 0.982 164 Y HN 0.160 nan 8.280 nan 0.000 0.515 165 Y N 0.692 121.077 120.300 0.142 0.000 2.242 165 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 165 Y C 2.028 177.851 175.900 -0.130 0.000 1.137 165 Y CA 1.805 59.898 58.100 -0.012 0.000 1.181 165 Y CB -0.427 37.991 38.460 -0.070 0.000 0.989 165 Y HN -0.038 nan 8.280 nan 0.000 0.527 166 K N -0.982 119.132 120.400 -0.477 0.000 2.148 166 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 166 K C 1.115 177.126 176.600 -0.982 0.000 1.050 166 K CA 1.720 57.472 56.287 -0.890 0.000 0.942 166 K CB -0.100 31.880 32.500 -0.867 0.000 0.724 166 K HN 0.377 nan 8.250 nan 0.000 0.446 167 F N -0.447 119.351 119.950 -0.253 0.000 2.463 167 F HA 0.065 4.592 4.527 -0.000 0.000 0.271 167 F C 1.505 177.158 175.800 -0.245 0.000 0.888 167 F CA -0.383 57.505 58.000 -0.185 0.000 1.149 167 F CB 0.047 39.067 39.000 0.034 0.000 1.071 167 F HN -0.178 nan 8.300 nan 0.000 0.802 168 D N 0.055 120.408 120.400 -0.079 0.000 2.149 168 D HA -0.243 4.397 4.640 -0.000 0.000 0.198 168 D C 1.683 177.829 176.300 -0.256 0.000 0.990 168 D CA 1.315 55.134 54.000 -0.302 0.000 0.839 168 D CB -0.530 39.709 40.800 -0.936 0.000 0.948 168 D HN 0.230 nan 8.370 nan 0.000 0.460 169 Y N 0.869 120.907 120.300 -0.438 0.000 2.483 169 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 169 Y C 1.944 177.745 175.900 -0.165 0.000 1.143 169 Y CA 1.036 59.017 58.100 -0.199 0.000 1.289 169 Y CB 0.076 38.392 38.460 -0.239 0.000 0.983 169 Y HN -0.101 nan 8.280 nan 0.000 0.556 170 E N -1.184 118.771 120.200 -0.408 0.000 2.175 170 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 170 E C 1.440 177.736 176.600 -0.507 0.000 0.934 170 E CA 1.028 57.017 56.400 -0.684 0.000 0.870 170 E CB -0.569 28.462 29.700 -1.116 0.000 0.838 170 E HN 0.361 nan 8.360 nan 0.000 0.474 171 F N -0.144 119.831 119.950 0.043 0.000 2.698 171 F HA 0.391 4.918 4.527 -0.000 0.000 0.295 171 F C 1.359 177.313 175.800 0.256 0.000 1.124 171 F CA 0.199 58.280 58.000 0.136 0.000 1.426 171 F CB 0.459 39.511 39.000 0.086 0.000 1.120 171 F HN 0.123 nan 8.300 nan 0.000 0.583 172 A N 0.365 123.384 122.820 0.332 0.000 2.979 172 A HA -0.242 4.078 4.320 -0.000 0.000 0.260 172 A C 0.214 177.854 177.584 0.094 0.000 1.282 172 A CA 1.283 53.452 52.037 0.220 0.000 0.971 172 A CB -2.162 16.959 19.000 0.201 0.000 1.124 172 A HN 0.499 nan 8.150 nan 0.000 0.826 173 E N -1.333 118.935 120.200 0.113 0.000 2.408 173 E HA 0.527 4.877 4.350 -0.000 0.000 0.275 173 E C -3.072 173.561 176.600 0.055 0.000 0.935 173 E CA -2.420 54.009 56.400 0.049 0.000 0.775 173 E CB 1.935 31.647 29.700 0.020 0.000 1.277 173 E HN 0.156 nan 8.360 nan 0.000 0.455 174 P HA 0.091 nan 4.420 nan 0.000 0.272 174 P C -2.169 175.120 177.300 -0.019 0.000 1.230 174 P CA -1.164 61.952 63.100 0.026 0.000 0.788 174 P CB 0.188 31.904 31.700 0.027 0.000 0.949 175 P HA -0.168 nan 4.420 nan 0.000 0.216 175 P C 1.292 178.492 177.300 -0.168 0.000 1.150 175 P CA 1.633 64.597 63.100 -0.227 0.000 0.837 175 P CB -0.203 31.272 31.700 -0.376 0.000 0.786 176 R N -0.839 119.600 120.500 -0.101 0.000 2.293 176 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 176 R C 1.151 177.407 176.300 -0.073 0.000 1.091 176 R CA 1.151 57.202 56.100 -0.081 0.000 1.004 176 R CB -1.060 29.210 30.300 -0.049 0.000 0.865 176 R HN 0.095 nan 8.270 nan 0.000 0.469 177 V N 0.616 120.486 119.914 -0.073 0.000 3.565 177 V HA 0.044 4.164 4.120 -0.000 0.000 0.260 177 V C 0.405 176.444 176.094 -0.092 0.000 1.231 177 V CA 0.675 62.934 62.300 -0.068 0.000 1.100 177 V CB 0.768 32.557 31.823 -0.055 0.000 0.807 177 V HN 0.282 nan 8.190 nan 0.000 0.454 178 T N 1.111 115.589 114.554 -0.127 0.000 2.856 178 T HA 0.227 4.577 4.350 -0.000 0.000 0.292 178 T C 0.289 174.876 174.700 -0.189 0.000 0.980 178 T CA 0.190 62.182 62.100 -0.179 0.000 1.091 178 T CB 1.369 70.090 68.868 -0.245 0.000 0.936 178 T HN 0.292 nan 8.240 nan 0.000 0.503 179 S N 2.630 118.223 115.700 -0.179 0.000 2.516 179 S HA 0.064 4.534 4.470 -0.000 0.000 0.282 179 S C 1.252 175.685 174.600 -0.278 0.000 1.286 179 S CA -0.807 57.273 58.200 -0.199 0.000 1.066 179 S CB 0.008 63.057 63.200 -0.251 0.000 0.884 179 S HN 0.624 nan 8.310 nan 0.000 0.491 180 L N 5.556 126.647 121.223 -0.219 0.000 2.005 180 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 180 L C 2.569 179.303 176.870 -0.226 0.000 1.072 180 L CA 2.085 56.803 54.840 -0.204 0.000 0.744 180 L CB -1.047 40.922 42.059 -0.151 0.000 0.895 180 L HN 0.950 nan 8.230 nan 0.000 0.433 181 Q N -0.513 119.146 119.800 -0.235 0.000 2.135 181 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 181 Q C 0.906 176.680 176.000 -0.376 0.000 0.981 181 Q CA 1.809 57.463 55.803 -0.248 0.000 0.856 181 Q CB -0.028 28.583 28.738 -0.211 0.000 0.902 181 Q HN 0.634 nan 8.270 nan 0.000 0.425 182 N N -0.766 117.581 118.700 -0.588 0.000 2.251 182 N HA 0.014 4.754 4.740 -0.000 0.000 0.217 182 N C 0.375 175.548 175.510 -0.561 0.000 1.124 182 N CA 0.950 53.487 53.050 -0.855 0.000 0.843 182 N CB 1.221 38.490 38.487 -2.030 0.000 1.024 182 N HN 0.358 nan 8.380 nan 0.000 0.501 183 T N -4.564 109.773 114.554 -0.362 0.000 3.074 183 T HA 0.182 4.532 4.350 -0.000 0.000 0.258 183 T C 0.174 174.853 174.700 -0.035 0.000 0.891 183 T CA -0.006 61.947 62.100 -0.245 0.000 0.867 183 T CB 0.467 69.007 68.868 -0.547 0.000 1.261 183 T HN -0.197 nan 8.240 nan 0.000 0.537 184 V N 4.784 124.658 119.914 -0.067 0.000 2.380 184 V HA 0.554 4.674 4.120 -0.000 0.000 0.286 184 V C -2.566 173.517 176.094 -0.019 0.000 1.015 184 V CA -2.016 60.297 62.300 0.021 0.000 0.834 184 V CB 2.007 33.851 31.823 0.035 0.000 1.009 184 V HN 0.266 nan 8.190 nan 0.000 0.428 185 P HA 0.386 nan 4.420 nan 0.000 0.278 185 P C -0.811 176.527 177.300 0.062 0.000 1.258 185 P CA -0.554 62.574 63.100 0.047 0.000 0.811 185 P CB 1.685 33.401 31.700 0.027 0.000 1.063 186 L N 1.269 122.588 121.223 0.161 0.000 2.276 186 L HA 0.285 4.625 4.340 -0.000 0.000 0.286 186 L C 1.834 178.774 176.870 0.118 0.000 1.061 186 L CA -0.549 54.408 54.840 0.195 0.000 0.807 186 L CB 1.277 43.577 42.059 0.401 0.000 1.177 186 L HN 0.453 nan 8.230 nan 0.000 0.429 187 A N 2.563 125.402 122.820 0.032 0.000 1.940 187 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 187 A C 2.111 179.675 177.584 -0.033 0.000 1.176 187 A CA 2.298 54.303 52.037 -0.052 0.000 0.631 187 A CB -0.551 18.332 19.000 -0.195 0.000 0.814 187 A HN 0.850 nan 8.150 nan 0.000 0.446 188 T N -0.309 114.264 114.554 0.032 0.000 2.597 188 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 188 T C 1.497 175.915 174.700 -0.471 0.000 1.053 188 T CA 2.181 64.133 62.100 -0.246 0.000 1.165 188 T CB -0.508 67.978 68.868 -0.636 0.000 0.863 188 T HN 0.510 nan 8.240 nan 0.000 0.427 189 F N 1.600 121.522 119.950 -0.046 0.000 2.234 189 F HA -0.030 4.497 4.527 -0.000 0.000 0.296 189 F C 2.907 178.665 175.800 -0.069 0.000 1.089 189 F CA 0.873 58.840 58.000 -0.056 0.000 1.343 189 F CB -0.681 38.288 39.000 -0.053 0.000 1.040 189 F HN 0.134 nan 8.300 nan 0.000 0.498 190 S N -0.005 115.734 115.700 0.065 0.000 2.370 190 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 190 S C 1.366 175.912 174.600 -0.090 0.000 1.033 190 S CA 1.696 59.890 58.200 -0.009 0.000 1.011 190 S CB -0.492 62.695 63.200 -0.021 0.000 0.852 190 S HN 0.338 nan 8.310 nan 0.000 0.457 191 D N 0.727 120.986 120.400 -0.235 0.000 2.201 191 D HA 0.158 4.798 4.640 -0.000 0.000 0.209 191 D C 1.452 177.608 176.300 -0.240 0.000 0.961 191 D CA 0.739 54.531 54.000 -0.347 0.000 0.861 191 D CB -0.394 39.975 40.800 -0.717 0.000 0.997 191 D HN 0.524 nan 8.370 nan 0.000 0.486 192 F N 0.494 120.377 119.950 -0.112 0.000 2.776 192 F HA 0.349 4.876 4.527 -0.000 0.000 0.300 192 F C 1.350 177.081 175.800 -0.114 0.000 1.116 192 F CA 0.089 57.988 58.000 -0.168 0.000 1.375 192 F CB 0.734 39.524 39.000 -0.349 0.000 1.109 192 F HN -0.036 nan 8.300 nan 0.000 0.585 193 G N 0.694 109.558 108.800 0.107 0.000 2.587 193 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 193 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 193 G C -0.557 174.473 174.900 0.217 0.000 1.236 193 G CA -0.689 44.480 45.100 0.115 0.000 0.820 193 G HN 0.031 nan 8.290 nan 0.000 0.645 194 D N 0.105 120.613 120.400 0.180 0.000 2.347 194 D HA 0.079 4.719 4.640 -0.000 0.000 0.215 194 D C 0.678 177.061 176.300 0.138 0.000 0.976 194 D CA 0.834 54.933 54.000 0.165 0.000 0.884 194 D CB 0.171 40.987 40.800 0.027 0.000 0.915 194 D HN 0.439 nan 8.370 nan 0.000 0.526 195 D N 0.098 120.583 120.400 0.143 0.000 2.348 195 D HA 0.293 4.933 4.640 -0.000 0.000 0.249 195 D C 0.362 176.752 176.300 0.149 0.000 1.110 195 D CA -0.425 53.630 54.000 0.093 0.000 0.967 195 D CB 2.362 43.207 40.800 0.075 0.000 1.139 195 D HN -0.134 nan 8.370 nan 0.000 0.466 196 V N -1.213 118.748 119.914 0.079 0.000 2.808 196 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 196 V C -1.805 174.390 176.094 0.168 0.000 1.099 196 V CA -0.801 61.643 62.300 0.239 0.000 0.920 196 V CB 1.471 33.420 31.823 0.210 0.000 1.014 196 V HN 0.390 nan 8.190 nan 0.000 0.425 197 Y N 3.982 124.498 120.300 0.360 0.000 2.331 197 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 197 Y C -0.369 175.753 175.900 0.370 0.000 0.960 197 Y CA -0.831 57.471 58.100 0.335 0.000 1.130 197 Y CB 2.072 40.593 38.460 0.101 0.000 1.164 197 Y HN 0.848 nan 8.280 nan 0.000 0.458 198 F N 4.271 124.363 119.950 0.238 0.000 2.445 198 F HA 0.477 5.004 4.527 -0.000 0.000 0.359 198 F C -0.393 175.400 175.800 -0.013 0.000 1.101 198 F CA -0.559 57.317 58.000 -0.207 0.000 1.177 198 F CB 0.428 39.349 39.000 -0.132 0.000 1.110 198 F HN 0.172 nan 8.300 nan 0.000 0.522 199 V N 6.422 126.119 119.914 -0.362 0.000 2.461 199 V HA 0.511 4.631 4.120 -0.000 0.000 0.275 199 V C 0.210 176.274 176.094 -0.051 0.000 1.047 199 V CA -0.202 61.980 62.300 -0.196 0.000 0.955 199 V CB 0.773 32.304 31.823 -0.488 0.000 0.988 199 V HN 0.900 nan 8.190 nan 0.000 0.471 200 A N 4.292 127.230 122.820 0.197 0.000 3.082 200 A HA 0.554 4.874 4.320 -0.000 0.000 0.328 200 A C -0.625 177.088 177.584 0.216 0.000 1.089 200 A CA -0.446 51.773 52.037 0.304 0.000 0.802 200 A CB 0.227 19.465 19.000 0.396 0.000 1.138 200 A HN 0.726 nan 8.150 nan 0.000 0.474 201 D N 0.680 121.164 120.400 0.139 0.000 2.780 201 D HA 0.211 4.851 4.640 -0.000 0.000 0.242 201 D C 0.281 176.629 176.300 0.079 0.000 1.135 201 D CA -0.356 53.699 54.000 0.091 0.000 0.859 201 D CB 1.676 42.494 40.800 0.030 0.000 1.530 201 D HN 0.237 nan 8.370 nan 0.000 0.493 202 Q N 1.958 121.795 119.800 0.063 0.000 2.291 202 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 202 Q C 1.548 177.549 176.000 0.001 0.000 0.976 202 Q CA 0.969 56.790 55.803 0.030 0.000 0.875 202 Q CB 0.061 28.811 28.738 0.020 0.000 0.927 202 Q HN 0.471 nan 8.270 nan 0.000 0.450 203 R N -0.006 120.496 120.500 0.002 0.000 2.189 203 R HA 0.079 4.419 4.340 -0.000 0.000 0.218 203 R C 0.735 177.039 176.300 0.007 0.000 1.074 203 R CA 0.650 56.740 56.100 -0.016 0.000 0.991 203 R CB -0.066 30.227 30.300 -0.013 0.000 0.883 203 R HN 0.276 nan 8.270 nan 0.000 0.457 204 G N -0.314 108.511 108.800 0.040 0.000 2.716 204 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.686 204 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.686 204 G C -0.032 174.975 174.900 0.179 0.000 1.337 204 G CA -0.228 44.925 45.100 0.087 0.000 0.829 204 G HN 0.349 nan 8.290 nan 0.000 0.599 205 Y N 0.671 121.003 120.300 0.054 0.000 2.256 205 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 205 Y C 2.844 178.818 175.900 0.123 0.000 1.155 205 Y CA 1.992 60.136 58.100 0.073 0.000 1.203 205 Y CB 0.163 38.663 38.460 0.067 0.000 0.980 205 Y HN 0.839 nan 8.280 nan 0.000 0.530 206 E N 0.214 120.601 120.200 0.312 0.000 2.331 206 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 206 E C 1.984 178.819 176.600 0.391 0.000 1.008 206 E CA 0.841 57.422 56.400 0.302 0.000 0.843 206 E CB -0.392 29.529 29.700 0.368 0.000 0.761 206 E HN 0.483 nan 8.360 nan 0.000 0.507 207 A N 1.490 124.499 122.820 0.316 0.000 2.076 207 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 207 A C 2.417 180.186 177.584 0.309 0.000 1.160 207 A CA 1.283 53.493 52.037 0.288 0.000 0.653 207 A CB -0.579 18.505 19.000 0.139 0.000 0.801 207 A HN 0.219 nan 8.150 nan 0.000 0.455 208 V N -0.619 119.460 119.914 0.274 0.000 2.427 208 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 208 V C 2.535 178.786 176.094 0.262 0.000 1.051 208 V CA 1.917 64.360 62.300 0.238 0.000 1.048 208 V CB -0.585 31.365 31.823 0.211 0.000 0.666 208 V HN 0.403 nan 8.190 nan 0.000 0.456 209 V N -1.229 118.816 119.914 0.219 0.000 2.307 209 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 209 V C 2.169 178.308 176.094 0.075 0.000 1.045 209 V CA 1.958 64.333 62.300 0.125 0.000 1.024 209 V CB -0.781 31.066 31.823 0.040 0.000 0.651 209 V HN 0.506 nan 8.190 nan 0.000 0.449 210 Y N -0.882 119.499 120.300 0.136 0.000 2.165 210 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 210 Y C 2.457 178.423 175.900 0.109 0.000 1.155 210 Y CA 2.438 60.598 58.100 0.100 0.000 1.164 210 Y CB -0.651 37.870 38.460 0.101 0.000 0.978 210 Y HN 0.354 nan 8.280 nan 0.000 0.513 211 Y N 0.138 120.554 120.300 0.193 0.000 2.145 211 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 211 Y C 1.990 177.948 175.900 0.097 0.000 1.145 211 Y CA 1.505 59.675 58.100 0.117 0.000 1.148 211 Y CB -0.630 37.884 38.460 0.089 0.000 0.981 211 Y HN 0.026 nan 8.280 nan 0.000 0.507 212 L N -0.023 121.238 121.223 0.064 0.000 2.017 212 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 212 L C 2.861 179.725 176.870 -0.009 0.000 1.073 212 L CA 1.243 56.082 54.840 -0.002 0.000 0.745 212 L CB -1.130 41.049 42.059 0.199 0.000 0.894 212 L HN 0.368 nan 8.230 nan 0.000 0.432 213 A N 0.435 123.223 122.820 -0.053 0.000 1.908 213 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 213 A C 2.358 179.679 177.584 -0.440 0.000 1.181 213 A CA 1.875 53.738 52.037 -0.291 0.000 0.627 213 A CB -1.329 17.517 19.000 -0.258 0.000 0.818 213 A HN 0.470 nan 8.150 nan 0.000 0.445 214 G N -1.294 107.373 108.800 -0.222 0.000 2.509 214 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 214 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 214 G C 1.364 176.153 174.900 -0.185 0.000 1.124 214 G CA 0.674 45.666 45.100 -0.179 0.000 0.776 214 G HN 0.597 nan 8.290 nan 0.000 0.547 215 Q N -0.655 119.030 119.800 -0.190 0.000 2.488 215 Q HA -0.024 4.316 4.340 -0.000 0.000 0.211 215 Q C 1.226 177.260 176.000 0.058 0.000 0.967 215 Q CA 0.876 56.624 55.803 -0.092 0.000 0.926 215 Q CB 0.031 28.712 28.738 -0.096 0.000 0.992 215 Q HN 0.982 nan 8.270 nan 0.000 0.506 216 Y N -4.053 116.200 120.300 -0.078 0.000 2.710 216 Y HA 0.386 4.935 4.550 -0.000 0.000 0.278 216 Y C 0.058 175.932 175.900 -0.044 0.000 1.014 216 Y CA -0.473 57.593 58.100 -0.056 0.000 1.227 216 Y CB 0.218 38.644 38.460 -0.055 0.000 1.408 216 Y HN -0.207 nan 8.280 nan 0.000 0.580 217 L N 2.281 123.214 121.223 -0.483 0.000 2.334 217 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 217 L C -0.236 176.537 176.870 -0.161 0.000 1.018 217 L CA -1.251 53.398 54.840 -0.319 0.000 0.811 217 L CB 1.839 43.633 42.059 -0.443 0.000 1.271 217 L HN -0.037 nan 8.230 nan 0.000 0.443 218 K N 0.822 121.167 120.400 -0.092 0.000 2.298 218 K HA 0.365 4.685 4.320 -0.000 0.000 0.280 218 K C -0.413 176.159 176.600 -0.048 0.000 1.032 218 K CA -0.287 55.967 56.287 -0.054 0.000 0.958 218 K CB 1.064 33.546 32.500 -0.030 0.000 0.978 218 K HN 0.648 nan 8.250 nan 0.000 0.472 219 T N -1.646 112.889 114.554 -0.031 0.000 2.893 219 T HA 0.146 4.496 4.350 -0.000 0.000 0.291 219 T C -0.492 174.207 174.700 -0.003 0.000 1.028 219 T CA -1.130 60.963 62.100 -0.012 0.000 0.995 219 T CB 1.630 70.496 68.868 -0.003 0.000 1.051 219 T HN 0.482 nan 8.240 nan 0.000 0.470 220 D N 1.715 122.118 120.400 0.004 0.000 2.458 220 D HA -0.041 4.599 4.640 -0.000 0.000 0.243 220 D C 0.793 177.096 176.300 0.004 0.000 1.146 220 D CA -0.034 53.969 54.000 0.004 0.000 0.877 220 D CB 1.001 41.805 40.800 0.008 0.000 1.176 220 D HN 0.739 nan 8.370 nan 0.000 0.461 221 D N 3.625 124.027 120.400 0.003 0.000 2.269 221 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 221 D C 1.355 177.658 176.300 0.004 0.000 0.963 221 D CA 0.925 54.927 54.000 0.004 0.000 0.864 221 D CB 0.128 40.929 40.800 0.003 0.000 0.936 221 D HN 0.408 nan 8.370 nan 0.000 0.505 222 K N 0.411 120.813 120.400 0.003 0.000 2.056 222 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 222 K C 2.291 178.893 176.600 0.002 0.000 1.035 222 K CA 0.617 56.905 56.287 0.002 0.000 0.955 222 K CB 0.175 32.676 32.500 0.002 0.000 0.769 222 K HN -0.086 nan 8.250 nan 0.000 0.447 223 S N -0.509 115.194 115.700 0.004 0.000 2.359 223 S HA -0.108 4.362 4.470 -0.000 0.000 0.222 223 S C 1.455 176.058 174.600 0.005 0.000 1.038 223 S CA 1.711 59.914 58.200 0.004 0.000 1.051 223 S CB -0.476 62.730 63.200 0.009 0.000 0.944 223 S HN 0.718 nan 8.310 nan 0.000 0.433 224 G N 0.738 109.544 108.800 0.010 0.000 2.217 224 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 224 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 224 G C 0.030 174.948 174.900 0.030 0.000 0.990 224 G CA 0.218 45.327 45.100 0.016 0.000 0.627 224 G HN 0.469 nan 8.290 nan 0.000 0.522 225 K N 0.395 120.812 120.400 0.029 0.000 2.414 225 K HA 0.394 4.714 4.320 -0.000 0.000 0.272 225 K C 0.763 177.390 176.600 0.044 0.000 0.993 225 K CA -0.106 56.212 56.287 0.051 0.000 0.964 225 K CB 0.774 33.299 32.500 0.041 0.000 0.925 225 K HN 0.326 nan 8.250 nan 0.000 0.487 226 I N 2.446 123.053 120.570 0.061 0.000 2.529 226 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 226 I C 1.102 177.223 176.117 0.006 0.000 1.082 226 I CA -0.013 61.296 61.300 0.015 0.000 1.406 226 I CB 0.831 38.827 38.000 -0.006 0.000 1.405 226 I HN 0.445 nan 8.210 nan 0.000 0.548 227 V N 0.263 120.170 119.914 -0.011 0.000 3.337 227 V HA 0.229 4.349 4.120 -0.000 0.000 0.307 227 V C 0.333 176.417 176.094 -0.017 0.000 1.505 227 V CA -0.432 61.864 62.300 -0.007 0.000 1.072 227 V CB 0.158 31.980 31.823 -0.001 0.000 0.929 227 V HN 0.690 nan 8.190 nan 0.000 0.455 228 D N 3.848 124.229 120.400 -0.033 0.000 2.417 228 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 228 D C -1.189 175.094 176.300 -0.030 0.000 1.166 228 D CA -1.313 52.666 54.000 -0.035 0.000 0.881 228 D CB 2.184 42.947 40.800 -0.060 0.000 1.164 228 D HN 0.227 nan 8.370 nan 0.000 0.467 229 P HA -0.036 nan 4.420 nan 0.000 0.234 229 P C 0.937 178.224 177.300 -0.023 0.000 1.167 229 P CA 0.408 63.501 63.100 -0.013 0.000 0.763 229 P CB 0.333 32.033 31.700 -0.001 0.000 0.835 230 R N -0.826 119.658 120.500 -0.026 0.000 2.280 230 R HA 0.037 4.377 4.340 -0.000 0.000 0.207 230 R C 0.672 176.940 176.300 -0.054 0.000 1.043 230 R CA 0.197 56.279 56.100 -0.031 0.000 1.006 230 R CB -0.308 29.988 30.300 -0.007 0.000 0.885 230 R HN 0.176 nan 8.270 nan 0.000 0.467 231 L N 1.296 122.484 121.223 -0.059 0.000 2.305 231 L HA 0.253 4.593 4.340 -0.000 0.000 0.284 231 L C -1.239 175.589 176.870 -0.070 0.000 1.013 231 L CA -0.235 54.561 54.840 -0.073 0.000 0.819 231 L CB 1.667 43.680 42.059 -0.078 0.000 1.227 231 L HN -0.125 nan 8.230 nan 0.000 0.417 232 Q N 6.149 125.894 119.800 -0.093 0.000 2.309 232 Q HA 0.474 4.814 4.340 -0.000 0.000 0.270 232 Q C -0.951 174.995 176.000 -0.090 0.000 1.023 232 Q CA -0.383 55.372 55.803 -0.079 0.000 0.758 232 Q CB 2.367 31.047 28.738 -0.097 0.000 1.247 232 Q HN 0.711 nan 8.270 nan 0.000 0.455 233 L N 1.516 122.700 121.223 -0.066 0.000 2.469 233 L HA 0.374 4.714 4.340 -0.000 0.000 0.253 233 L C 0.849 177.674 176.870 -0.074 0.000 1.143 233 L CA -0.663 54.127 54.840 -0.082 0.000 0.804 233 L CB 0.379 42.408 42.059 -0.050 0.000 1.214 233 L HN 0.655 nan 8.230 nan 0.000 0.476 234 N N -0.076 118.564 118.700 -0.100 0.000 2.714 234 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 234 N C -0.782 174.684 175.510 -0.074 0.000 1.117 234 N CA 0.887 53.890 53.050 -0.079 0.000 0.719 234 N CB -0.811 37.662 38.487 -0.023 0.000 1.081 234 N HN 0.456 nan 8.380 nan 0.000 0.557 235 K N 1.010 121.342 120.400 -0.114 0.000 2.354 235 K HA 0.364 4.684 4.320 -0.000 0.000 0.257 235 K C -0.180 176.336 176.600 -0.139 0.000 1.062 235 K CA -0.400 55.836 56.287 -0.085 0.000 0.971 235 K CB 1.396 33.840 32.500 -0.093 0.000 1.305 235 K HN -0.108 nan 8.250 nan 0.000 0.449 236 V N 4.056 123.909 119.914 -0.102 0.000 2.353 236 V HA 0.097 4.217 4.120 -0.000 0.000 0.264 236 V C 0.570 176.633 176.094 -0.051 0.000 1.049 236 V CA -0.871 61.360 62.300 -0.115 0.000 0.896 236 V CB 1.047 32.870 31.823 -0.000 0.000 1.025 236 V HN 0.315 nan 8.190 nan 0.000 0.475 237 V N 7.633 127.502 119.914 -0.076 0.000 2.585 237 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 237 V C 1.219 177.284 176.094 -0.048 0.000 1.035 237 V CA 0.077 62.344 62.300 -0.055 0.000 1.084 237 V CB 0.878 32.650 31.823 -0.084 0.000 0.953 237 V HN 0.816 nan 8.190 nan 0.000 0.483 238 R N 2.630 123.103 120.500 -0.045 0.000 2.469 238 R HA 0.340 4.680 4.340 -0.000 0.000 0.250 238 R C 0.308 176.553 176.300 -0.092 0.000 0.909 238 R CA 0.007 56.078 56.100 -0.048 0.000 1.050 238 R CB 0.849 31.139 30.300 -0.017 0.000 1.256 238 R HN 0.824 nan 8.270 nan 0.000 0.550 239 E N 0.531 120.664 120.200 -0.112 0.000 2.335 239 E HA 0.406 4.756 4.350 -0.000 0.000 0.280 239 E C -1.413 175.091 176.600 -0.159 0.000 0.918 239 E CA -0.409 55.905 56.400 -0.144 0.000 0.765 239 E CB 1.860 31.515 29.700 -0.075 0.000 1.218 239 E HN -0.062 nan 8.360 nan 0.000 0.425 240 I N 4.281 124.704 120.570 -0.245 0.000 2.439 240 I HA 0.330 4.500 4.170 -0.000 0.000 0.283 240 I C -0.632 175.526 176.117 0.069 0.000 1.023 240 I CA -0.678 60.539 61.300 -0.139 0.000 1.100 240 I CB 1.572 39.389 38.000 -0.306 0.000 1.238 240 I HN 0.250 nan 8.210 nan 0.000 0.445 241 K N 6.908 127.369 120.400 0.102 0.000 2.159 241 K HA 0.617 4.937 4.320 -0.000 0.000 0.266 241 K C -1.311 175.406 176.600 0.195 0.000 0.975 241 K CA -0.666 55.680 56.287 0.099 0.000 0.865 241 K CB 1.885 34.387 32.500 0.004 0.000 1.087 241 K HN 0.475 nan 8.250 nan 0.000 0.446 242 Y N -1.644 118.678 120.300 0.037 0.000 2.609 242 Y HA 0.684 5.234 4.550 -0.000 0.000 0.342 242 Y C -0.442 175.469 175.900 0.018 0.000 1.058 242 Y CA -1.129 56.989 58.100 0.029 0.000 1.055 242 Y CB 1.738 40.230 38.460 0.054 0.000 1.292 242 Y HN 0.642 nan 8.280 nan 0.000 0.476 243 S N -0.765 114.986 115.700 0.086 0.000 2.688 243 S HA 0.541 5.011 4.470 -0.000 0.000 0.275 243 S C -2.797 171.844 174.600 0.068 0.000 1.175 243 S CA -1.441 56.762 58.200 0.005 0.000 0.818 243 S CB 1.565 64.749 63.200 -0.027 0.000 1.157 243 S HN 0.407 nan 8.310 nan 0.000 0.482 244 P HA 0.163 nan 4.420 nan 0.000 0.225 244 P C 1.217 178.524 177.300 0.012 0.000 1.148 244 P CA 1.271 64.398 63.100 0.046 0.000 0.779 244 P CB -0.331 31.390 31.700 0.034 0.000 0.780 245 G N -1.863 106.932 108.800 -0.008 0.000 2.796 245 G HA2 0.440 4.400 3.960 -0.000 0.000 0.210 245 G HA3 0.440 4.400 3.960 -0.000 0.000 0.210 245 G C 0.615 175.467 174.900 -0.080 0.000 1.146 245 G CA 0.553 45.630 45.100 -0.038 0.000 0.779 245 G HN 0.527 nan 8.290 nan 0.000 0.535 246 G N -1.326 107.437 108.800 -0.060 0.000 2.335 246 G HA2 0.531 4.491 3.960 -0.000 0.000 0.291 246 G HA3 0.531 4.491 3.960 -0.000 0.000 0.291 246 G C -1.603 173.294 174.900 -0.005 0.000 1.261 246 G CA 0.257 45.302 45.100 -0.091 0.000 0.871 246 G HN 1.095 nan 8.290 nan 0.000 0.491 247 V N -3.375 116.540 119.914 0.001 0.000 3.130 247 V HA 0.992 5.111 4.120 -0.000 0.000 0.310 247 V C -0.617 175.502 176.094 0.043 0.000 1.158 247 V CA -0.547 61.789 62.300 0.061 0.000 1.029 247 V CB 1.577 33.448 31.823 0.081 0.000 1.057 247 V HN 1.156 nan 8.190 nan 0.000 0.436 248 T N 1.667 116.253 114.554 0.054 0.000 2.916 248 T HA 0.732 5.082 4.350 -0.000 0.000 0.298 248 T C -1.032 173.696 174.700 0.047 0.000 1.031 248 T CA -0.428 61.697 62.100 0.043 0.000 0.993 248 T CB 1.712 70.591 68.868 0.018 0.000 1.045 248 T HN 0.874 nan 8.240 nan 0.000 0.454 249 V N 3.635 123.592 119.914 0.072 0.000 2.588 249 V HA 0.528 4.648 4.120 -0.000 0.000 0.304 249 V C -0.493 175.663 176.094 0.103 0.000 1.042 249 V CA -0.972 61.370 62.300 0.069 0.000 0.877 249 V CB 1.993 33.862 31.823 0.076 0.000 0.996 249 V HN 0.727 nan 8.190 nan 0.000 0.425 250 K N 2.485 122.909 120.400 0.040 0.000 2.221 250 K HA 0.705 5.025 4.320 -0.000 0.000 0.258 250 K C -0.151 176.472 176.600 0.038 0.000 0.944 250 K CA -0.606 55.698 56.287 0.028 0.000 0.823 250 K CB 2.244 34.735 32.500 -0.015 0.000 1.113 250 K HN 0.850 nan 8.250 nan 0.000 0.431 251 T N -2.016 112.577 114.554 0.064 0.000 2.945 251 T HA 0.182 4.532 4.350 -0.000 0.000 0.286 251 T C 1.052 175.767 174.700 0.025 0.000 1.025 251 T CA -0.828 61.305 62.100 0.056 0.000 1.039 251 T CB 1.744 70.678 68.868 0.111 0.000 1.068 251 T HN 0.689 nan 8.240 nan 0.000 0.497 252 E N 0.318 120.531 120.200 0.022 0.000 2.204 252 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 252 E C 0.990 177.601 176.600 0.018 0.000 0.990 252 E CA 1.377 57.790 56.400 0.022 0.000 0.821 252 E CB -0.061 29.663 29.700 0.039 0.000 0.750 252 E HN 0.818 nan 8.360 nan 0.000 0.477 253 D N -0.794 119.619 120.400 0.021 0.000 2.324 253 D HA -0.080 4.560 4.640 -0.000 0.000 0.235 253 D C 0.228 176.528 176.300 -0.001 0.000 1.095 253 D CA 0.097 54.106 54.000 0.015 0.000 0.871 253 D CB -0.224 40.589 40.800 0.022 0.000 0.906 253 D HN 0.138 nan 8.370 nan 0.000 0.522 254 N N -1.182 117.513 118.700 -0.008 0.000 2.984 254 N HA -0.155 4.585 4.740 -0.000 0.000 0.227 254 N C -0.746 174.721 175.510 -0.073 0.000 0.903 254 N CA 0.785 53.816 53.050 -0.033 0.000 0.995 254 N CB -1.291 37.177 38.487 -0.031 0.000 1.065 254 N HN 0.199 nan 8.380 nan 0.000 0.585 255 S N 0.360 116.010 115.700 -0.083 0.000 2.593 255 S HA 0.485 4.955 4.470 -0.000 0.000 0.269 255 S C 0.439 174.842 174.600 -0.329 0.000 1.334 255 S CA -0.275 57.780 58.200 -0.242 0.000 1.015 255 S CB 2.534 65.579 63.200 -0.258 0.000 0.912 255 S HN 0.141 nan 8.310 nan 0.000 0.541 256 V N 2.182 121.771 119.914 -0.543 0.000 2.709 256 V HA 0.511 4.631 4.120 -0.000 0.000 0.308 256 V C -1.520 174.223 176.094 -0.585 0.000 1.062 256 V CA -0.685 61.383 62.300 -0.386 0.000 0.901 256 V CB 1.254 32.956 31.823 -0.202 0.000 1.003 256 V HN 0.854 nan 8.190 nan 0.000 0.425 257 Y N 0.943 121.228 120.300 -0.026 0.000 2.545 257 Y HA 0.750 5.300 4.550 -0.000 0.000 0.348 257 Y C 0.354 176.242 175.900 -0.020 0.000 1.002 257 Y CA -0.739 57.348 58.100 -0.022 0.000 1.039 257 Y CB 2.545 40.990 38.460 -0.024 0.000 1.271 257 Y HN 0.534 nan 8.280 nan 0.000 0.467 258 S N 0.696 116.482 115.700 0.143 0.000 2.568 258 S HA 0.957 5.427 4.470 -0.000 0.000 0.293 258 S C -0.970 173.667 174.600 0.062 0.000 1.089 258 S CA -0.611 57.631 58.200 0.070 0.000 0.945 258 S CB 1.950 65.168 63.200 0.030 0.000 1.077 258 S HN 0.866 nan 8.310 nan 0.000 0.485 259 A N 0.951 123.788 122.820 0.029 0.000 2.536 259 A HA 0.639 4.959 4.320 -0.000 0.000 0.293 259 A C -0.671 176.888 177.584 -0.042 0.000 1.119 259 A CA -0.575 51.469 52.037 0.012 0.000 0.654 259 A CB 0.283 19.299 19.000 0.028 0.000 1.291 259 A HN 0.609 nan 8.150 nan 0.000 0.439 260 D N -1.021 119.338 120.400 -0.069 0.000 2.249 260 D HA 0.187 4.827 4.640 -0.000 0.000 0.205 260 D C -0.515 175.422 176.300 -0.605 0.000 0.962 260 D CA 1.980 55.806 54.000 -0.290 0.000 0.860 260 D CB 0.091 40.760 40.800 -0.218 0.000 0.955 260 D HN 0.442 nan 8.370 nan 0.000 0.505 261 Y N -1.406 118.901 120.300 0.012 0.000 2.638 261 Y HA 0.432 4.982 4.550 -0.000 0.000 0.335 261 Y C -0.652 175.244 175.900 -0.006 0.000 1.155 261 Y CA -1.123 56.989 58.100 0.021 0.000 1.046 261 Y CB 2.225 40.664 38.460 -0.035 0.000 1.303 261 Y HN -0.380 nan 8.280 nan 0.000 0.460 262 V N 3.009 123.034 119.914 0.184 0.000 2.709 262 V HA 0.692 4.812 4.120 -0.000 0.000 0.308 262 V C -1.507 174.598 176.094 0.018 0.000 1.062 262 V CA -0.758 61.576 62.300 0.056 0.000 0.901 262 V CB 1.873 33.703 31.823 0.010 0.000 1.003 262 V HN 0.754 nan 8.190 nan 0.000 0.425 263 M N 7.467 127.044 119.600 -0.038 0.000 2.043 263 M HA 0.582 5.062 4.480 -0.000 0.000 0.322 263 M C -1.499 174.751 176.300 -0.084 0.000 0.962 263 M CA -0.122 55.138 55.300 -0.067 0.000 0.927 263 M CB 1.291 33.843 32.600 -0.080 0.000 1.466 263 M HN 0.359 nan 8.290 nan 0.000 0.412 264 V N 4.795 124.623 119.914 -0.145 0.000 2.368 264 V HA 0.340 4.460 4.120 -0.000 0.000 0.266 264 V C 0.727 176.859 176.094 0.064 0.000 1.045 264 V CA 0.203 62.471 62.300 -0.053 0.000 0.899 264 V CB 0.652 32.426 31.823 -0.081 0.000 1.006 264 V HN 1.008 nan 8.190 nan 0.000 0.470 265 S N 3.563 119.299 115.700 0.060 0.000 2.539 265 S HA 0.346 4.816 4.470 -0.000 0.000 0.221 265 S C 0.901 175.589 174.600 0.146 0.000 0.987 265 S CA 0.260 58.520 58.200 0.100 0.000 0.929 265 S CB 0.291 63.520 63.200 0.048 0.000 0.832 265 S HN 0.913 nan 8.310 nan 0.000 0.492 266 A N 2.608 125.499 122.820 0.118 0.000 2.547 266 A HA 0.499 4.819 4.320 -0.000 0.000 0.233 266 A C 0.885 178.542 177.584 0.122 0.000 1.067 266 A CA 0.221 52.307 52.037 0.081 0.000 0.763 266 A CB -0.250 18.780 19.000 0.050 0.000 1.007 266 A HN 1.006 nan 8.150 nan 0.000 0.506 267 S N 1.037 116.771 115.700 0.057 0.000 2.580 267 S HA 0.144 4.614 4.470 -0.000 0.000 0.266 267 S C 1.093 175.522 174.600 -0.285 0.000 1.354 267 S CA 0.159 58.338 58.200 -0.036 0.000 1.008 267 S CB 0.345 63.581 63.200 0.060 0.000 0.898 267 S HN 1.384 nan 8.310 nan 0.000 0.555 268 L N 2.685 123.524 121.223 -0.639 0.000 2.042 268 L HA 0.090 4.430 4.340 -0.000 0.000 0.210 268 L C 2.366 179.101 176.870 -0.225 0.000 1.076 268 L CA 2.548 57.054 54.840 -0.558 0.000 0.749 268 L CB -1.527 40.288 42.059 -0.406 0.000 0.893 268 L HN 0.973 nan 8.230 nan 0.000 0.432 269 G N -1.182 107.560 108.800 -0.097 0.000 2.442 269 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 269 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 269 G C 1.534 176.433 174.900 -0.002 0.000 1.141 269 G CA 1.037 46.137 45.100 0.000 0.000 0.763 269 G HN 0.354 nan 8.290 nan 0.000 0.554 270 V N 0.931 120.838 119.914 -0.011 0.000 2.358 270 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 270 V C 2.887 178.985 176.094 0.006 0.000 1.047 270 V CA 1.313 63.618 62.300 0.009 0.000 1.035 270 V CB -0.356 31.475 31.823 0.013 0.000 0.658 270 V HN 0.355 nan 8.190 nan 0.000 0.452 271 L N -0.488 120.709 121.223 -0.043 0.000 2.191 271 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 271 L C 2.440 179.220 176.870 -0.151 0.000 1.103 271 L CA 1.479 56.285 54.840 -0.057 0.000 0.769 271 L CB -0.521 41.449 42.059 -0.149 0.000 0.908 271 L HN 0.419 nan 8.230 nan 0.000 0.438 272 Q N -0.504 119.179 119.800 -0.194 0.000 2.451 272 Q HA 0.000 4.340 4.340 -0.000 0.000 0.206 272 Q C 1.030 177.119 176.000 0.150 0.000 0.947 272 Q CA 0.233 55.886 55.803 -0.249 0.000 0.937 272 Q CB 0.296 28.936 28.738 -0.164 0.000 1.025 272 Q HN 0.539 nan 8.270 nan 0.000 0.511 273 S N -0.601 115.157 115.700 0.097 0.000 2.738 273 S HA 0.219 4.688 4.470 -0.000 0.000 0.284 273 S C 0.164 174.835 174.600 0.118 0.000 1.146 273 S CA -0.820 57.448 58.200 0.113 0.000 0.997 273 S CB 1.127 64.358 63.200 0.051 0.000 1.081 273 S HN -0.075 nan 8.310 nan 0.000 0.553 274 D N 0.278 120.730 120.400 0.087 0.000 2.491 274 D HA 0.198 4.838 4.640 -0.000 0.000 0.228 274 D C 1.170 177.505 176.300 0.058 0.000 1.183 274 D CA -0.155 53.898 54.000 0.089 0.000 0.827 274 D CB 0.117 40.962 40.800 0.076 0.000 0.989 274 D HN 0.376 nan 8.370 nan 0.000 0.494 275 L N 0.328 121.580 121.223 0.049 0.000 2.043 275 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 275 L C 0.548 177.427 176.870 0.016 0.000 1.075 275 L CA 1.623 56.484 54.840 0.035 0.000 0.752 275 L CB 0.022 42.111 42.059 0.050 0.000 0.891 275 L HN -0.037 nan 8.230 nan 0.000 0.432 276 I N 0.117 120.695 120.570 0.012 0.000 2.354 276 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 276 I C -0.069 175.980 176.117 -0.113 0.000 0.989 276 I CA -0.343 60.897 61.300 -0.099 0.000 1.188 276 I CB 1.305 39.193 38.000 -0.186 0.000 1.342 276 I HN 0.138 nan 8.210 nan 0.000 0.457 277 Q N 5.864 125.575 119.800 -0.148 0.000 2.274 277 Q HA 0.414 4.754 4.340 -0.000 0.000 0.256 277 Q C -1.556 174.328 176.000 -0.193 0.000 0.927 277 Q CA -0.513 55.253 55.803 -0.061 0.000 0.939 277 Q CB 1.045 29.765 28.738 -0.029 0.000 1.201 277 Q HN 0.442 nan 8.270 nan 0.000 0.426 278 F N 2.789 122.795 119.950 0.094 0.000 2.399 278 F HA 0.441 4.968 4.527 -0.000 0.000 0.334 278 F C 0.251 176.137 175.800 0.142 0.000 1.097 278 F CA -0.433 57.668 58.000 0.168 0.000 1.076 278 F CB 1.425 40.553 39.000 0.214 0.000 1.162 278 F HN 0.360 nan 8.300 nan 0.000 0.495 279 K N 5.028 125.593 120.400 0.276 0.000 2.637 279 K HA 0.345 4.665 4.320 -0.000 0.000 0.248 279 K C -2.880 173.567 176.600 -0.254 0.000 0.971 279 K CA -1.988 54.324 56.287 0.040 0.000 0.858 279 K CB 1.838 34.338 32.500 -0.000 0.000 1.170 279 K HN 0.199 nan 8.250 nan 0.000 0.443 280 P HA 0.058 nan 4.420 nan 0.000 0.274 280 P C -0.867 176.505 177.300 0.121 0.000 1.256 280 P CA -0.337 62.694 63.100 -0.116 0.000 0.795 280 P CB 0.744 32.353 31.700 -0.152 0.000 1.038 281 K N 0.356 120.824 120.400 0.112 0.000 2.469 281 K HA 0.101 4.421 4.320 -0.000 0.000 0.274 281 K C 0.430 177.104 176.600 0.123 0.000 0.983 281 K CA -0.138 56.236 56.287 0.146 0.000 0.974 281 K CB -0.195 32.349 32.500 0.073 0.000 0.913 281 K HN 0.372 nan 8.250 nan 0.000 0.493 282 L N 3.881 125.123 121.223 0.032 0.000 2.467 282 L HA 0.112 4.452 4.340 -0.000 0.000 0.270 282 L C -1.732 175.018 176.870 -0.201 0.000 1.205 282 L CA -1.818 52.927 54.840 -0.159 0.000 0.828 282 L CB -0.080 41.733 42.059 -0.410 0.000 1.101 282 L HN 0.454 nan 8.230 nan 0.000 0.479 283 P HA 0.051 nan 4.420 nan 0.000 0.272 283 P C 0.509 177.567 177.300 -0.402 0.000 1.223 283 P CA -0.251 62.661 63.100 -0.314 0.000 0.784 283 P CB 0.534 31.997 31.700 -0.395 0.000 0.923 284 T N 0.727 115.183 114.554 -0.163 0.000 2.699 284 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 284 T C 1.560 176.219 174.700 -0.068 0.000 1.036 284 T CA 1.654 63.709 62.100 -0.075 0.000 1.147 284 T CB -0.585 68.301 68.868 0.031 0.000 0.862 284 T HN 0.639 nan 8.240 nan 0.000 0.446 285 W N 2.562 123.847 121.300 -0.024 0.000 2.342 285 W HA -0.129 4.531 4.660 -0.000 0.000 0.297 285 W C 1.940 178.401 176.519 -0.097 0.000 1.213 285 W CA 1.321 58.640 57.345 -0.044 0.000 1.251 285 W CB -0.806 28.630 29.460 -0.041 0.000 1.136 285 W HN 0.181 nan 8.180 nan 0.000 0.526 286 K N 1.632 121.414 120.400 -1.031 0.000 2.031 286 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 286 K C 1.986 178.291 176.600 -0.493 0.000 1.049 286 K CA 2.293 57.970 56.287 -1.016 0.000 0.939 286 K CB -0.846 30.770 32.500 -1.474 0.000 0.717 286 K HN 0.028 nan 8.250 nan 0.000 0.438 287 V N 1.665 121.360 119.914 -0.364 0.000 2.332 287 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 287 V C 2.468 178.572 176.094 0.015 0.000 1.055 287 V CA 2.105 64.325 62.300 -0.134 0.000 1.038 287 V CB -0.497 31.306 31.823 -0.034 0.000 0.651 287 V HN 0.334 nan 8.190 nan 0.000 0.450 288 R N -0.145 120.357 120.500 0.003 0.000 2.075 288 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 288 R C 2.444 178.769 176.300 0.041 0.000 1.126 288 R CA 1.430 57.570 56.100 0.067 0.000 0.963 288 R CB -0.568 29.776 30.300 0.074 0.000 0.858 288 R HN 0.541 nan 8.270 nan 0.000 0.435 289 A N 1.312 124.117 122.820 -0.024 0.000 1.902 289 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 289 A C 2.151 179.658 177.584 -0.129 0.000 1.181 289 A CA 1.113 53.111 52.037 -0.065 0.000 0.623 289 A CB -0.448 18.480 19.000 -0.120 0.000 0.818 289 A HN 0.166 nan 8.150 nan 0.000 0.443 290 I N -1.928 118.504 120.570 -0.231 0.000 2.163 290 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 290 I C 2.211 178.158 176.117 -0.283 0.000 1.085 290 I CA 1.575 62.670 61.300 -0.342 0.000 1.347 290 I CB -0.371 37.309 38.000 -0.533 0.000 1.044 290 I HN 0.430 nan 8.210 nan 0.000 0.408 291 Y N 0.317 120.589 120.300 -0.047 0.000 2.516 291 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 291 Y C 2.531 178.440 175.900 0.015 0.000 1.131 291 Y CA 0.607 58.701 58.100 -0.011 0.000 1.281 291 Y CB -0.181 38.270 38.460 -0.015 0.000 1.013 291 Y HN 0.213 nan 8.280 nan 0.000 0.554 292 Q N -0.969 118.911 119.800 0.133 0.000 2.269 292 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 292 Q C 0.148 176.214 176.000 0.109 0.000 0.946 292 Q CA 0.362 56.233 55.803 0.114 0.000 0.877 292 Q CB 0.128 28.930 28.738 0.106 0.000 0.963 292 Q HN 0.296 nan 8.270 nan 0.000 0.472 293 F N 1.257 121.159 119.950 -0.080 0.000 2.378 293 F HA 0.100 4.627 4.527 -0.000 0.000 0.319 293 F C 0.041 175.806 175.800 -0.058 0.000 1.155 293 F CA -0.506 57.431 58.000 -0.106 0.000 1.157 293 F CB 0.894 39.803 39.000 -0.152 0.000 1.252 293 F HN -0.145 nan 8.300 nan 0.000 0.550 294 D N 2.671 122.919 120.400 -0.253 0.000 2.185 294 D HA 0.291 4.931 4.640 -0.000 0.000 0.247 294 D C -0.867 175.425 176.300 -0.013 0.000 1.027 294 D CA -0.272 53.660 54.000 -0.113 0.000 0.861 294 D CB 1.765 42.457 40.800 -0.179 0.000 1.202 294 D HN 0.314 nan 8.370 nan 0.000 0.453 295 M N 2.430 122.038 119.600 0.013 0.000 2.066 295 M HA 0.555 5.035 4.480 -0.000 0.000 0.340 295 M C -0.852 175.429 176.300 -0.032 0.000 1.053 295 M CA -0.430 54.884 55.300 0.023 0.000 0.983 295 M CB 0.877 33.504 32.600 0.044 0.000 1.520 295 M HN 0.383 nan 8.290 nan 0.000 0.428 296 A N 4.173 126.930 122.820 -0.105 0.000 2.246 296 A HA 0.870 5.190 4.320 -0.000 0.000 0.291 296 A C -1.015 176.385 177.584 -0.306 0.000 1.103 296 A CA -0.669 51.252 52.037 -0.194 0.000 0.844 296 A CB 0.889 19.777 19.000 -0.186 0.000 1.136 296 A HN 0.708 nan 8.150 nan 0.000 0.500 297 V N -0.151 119.607 119.914 -0.260 0.000 2.623 297 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 297 V C -1.467 174.580 176.094 -0.080 0.000 1.054 297 V CA -0.260 61.942 62.300 -0.163 0.000 0.882 297 V CB 1.375 33.163 31.823 -0.059 0.000 1.002 297 V HN 0.789 nan 8.190 nan 0.000 0.424 298 Y N 2.631 122.808 120.300 -0.205 0.000 2.332 298 Y HA 0.615 5.165 4.550 -0.000 0.000 0.326 298 Y C -0.007 175.963 175.900 0.116 0.000 0.978 298 Y CA -0.203 57.887 58.100 -0.017 0.000 1.205 298 Y CB 1.892 40.371 38.460 0.031 0.000 1.131 298 Y HN 0.650 nan 8.280 nan 0.000 0.462 299 T N 6.776 121.357 114.554 0.045 0.000 2.756 299 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 299 T C -0.658 174.042 174.700 -0.001 0.000 0.985 299 T CA -0.813 61.358 62.100 0.118 0.000 0.955 299 T CB 0.409 69.328 68.868 0.086 0.000 0.930 299 T HN 0.481 nan 8.240 nan 0.000 0.451 300 K N 3.772 124.245 120.400 0.122 0.000 2.257 300 K HA 0.386 4.706 4.320 -0.000 0.000 0.270 300 K C -0.332 176.196 176.600 -0.121 0.000 1.098 300 K CA -0.224 56.048 56.287 -0.024 0.000 0.943 300 K CB 0.479 33.084 32.500 0.174 0.000 1.316 300 K HN 0.569 nan 8.250 nan 0.000 0.447 301 I N 4.331 124.769 120.570 -0.220 0.000 2.301 301 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 301 I C -0.299 175.650 176.117 -0.281 0.000 1.046 301 I CA -0.580 60.629 61.300 -0.153 0.000 1.282 301 I CB 0.201 38.145 38.000 -0.093 0.000 1.409 301 I HN 0.301 nan 8.210 nan 0.000 0.484 302 F N 6.773 126.585 119.950 -0.229 0.000 2.385 302 F HA 0.589 5.116 4.527 -0.000 0.000 0.336 302 F C 0.048 175.681 175.800 -0.279 0.000 1.100 302 F CA -0.454 57.328 58.000 -0.364 0.000 1.116 302 F CB 1.131 39.593 39.000 -0.896 0.000 1.166 302 F HN 0.197 nan 8.300 nan 0.000 0.511 303 L N 2.880 124.244 121.223 0.235 0.000 2.431 303 L HA 0.483 4.823 4.340 -0.000 0.000 0.266 303 L C -0.693 176.367 176.870 0.317 0.000 0.978 303 L CA -0.800 54.184 54.840 0.241 0.000 0.822 303 L CB 2.313 44.456 42.059 0.140 0.000 1.310 303 L HN 0.493 nan 8.230 nan 0.000 0.409 304 K N 2.211 122.673 120.400 0.103 0.000 2.244 304 K HA 0.714 5.034 4.320 -0.000 0.000 0.260 304 K C -1.693 174.742 176.600 -0.275 0.000 0.951 304 K CA -0.405 55.885 56.287 0.005 0.000 0.826 304 K CB 1.228 33.632 32.500 -0.160 0.000 1.108 304 K HN 0.330 nan 8.250 nan 0.000 0.433 305 F N 3.544 123.652 119.950 0.263 0.000 2.593 305 F HA 0.373 4.900 4.527 -0.000 0.000 0.320 305 F C -1.530 174.374 175.800 0.174 0.000 1.060 305 F CA -2.250 55.909 58.000 0.265 0.000 0.940 305 F CB 1.731 40.991 39.000 0.434 0.000 1.268 305 F HN 0.489 nan 8.300 nan 0.000 0.475 306 P HA -0.066 nan 4.420 nan 0.000 0.222 306 P C -0.799 176.594 177.300 0.155 0.000 1.147 306 P CA 1.194 64.407 63.100 0.188 0.000 0.790 306 P CB 0.135 31.928 31.700 0.156 0.000 0.780 307 R N -3.170 117.448 120.500 0.197 0.000 2.753 307 R HA 0.356 4.696 4.340 -0.000 0.000 0.272 307 R C -1.060 175.168 176.300 -0.119 0.000 1.034 307 R CA -1.141 54.974 56.100 0.025 0.000 0.869 307 R CB 0.668 30.962 30.300 -0.011 0.000 1.264 307 R HN -0.285 nan 8.270 nan 0.000 0.481 308 K N 1.095 121.202 120.400 -0.487 0.000 2.202 308 K HA 0.237 4.556 4.320 -0.000 0.000 0.264 308 K C -0.629 175.348 176.600 -1.038 0.000 1.010 308 K CA -0.241 55.233 56.287 -1.354 0.000 0.940 308 K CB 0.390 32.093 32.500 -1.328 0.000 0.983 308 K HN 0.661 nan 8.250 nan 0.000 0.475 309 F N -0.241 118.968 119.950 -1.235 0.000 3.087 309 F HA 0.316 4.843 4.527 -0.000 0.000 0.371 309 F C -0.944 174.357 175.800 -0.832 0.000 1.144 309 F CA -1.247 56.308 58.000 -0.741 0.000 1.030 309 F CB -0.645 38.052 39.000 -0.505 0.000 1.366 309 F HN 0.466 nan 8.300 nan 0.000 0.522 310 W N 0.849 121.511 121.300 -1.063 0.000 2.594 310 W HA 0.923 5.583 4.660 -0.000 0.000 0.365 310 W C -3.043 173.131 176.519 -0.575 0.000 1.196 310 W CA -3.003 53.716 57.345 -1.043 0.000 1.258 310 W CB -0.578 28.223 29.460 -1.099 0.000 1.405 310 W HN -0.356 nan 8.180 nan 0.000 0.640 311 P HA 0.189 nan 4.420 nan 0.000 0.275 311 P C -0.908 176.364 177.300 -0.045 0.000 1.228 311 P CA -0.068 62.961 63.100 -0.117 0.000 0.786 311 P CB 0.925 32.602 31.700 -0.039 0.000 0.927 312 E N 0.786 120.926 120.200 -0.099 0.000 2.317 312 E HA 0.710 5.059 4.350 -0.000 0.000 0.270 312 E C -0.285 176.262 176.600 -0.089 0.000 0.885 312 E CA -0.877 55.481 56.400 -0.070 0.000 0.760 312 E CB 2.297 31.941 29.700 -0.093 0.000 1.227 312 E HN 0.655 nan 8.360 nan 0.000 0.434 313 G N 1.492 110.234 108.800 -0.097 0.000 2.357 313 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.289 313 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.289 313 G C -1.269 173.539 174.900 -0.153 0.000 1.302 313 G CA -1.104 43.930 45.100 -0.110 0.000 0.936 313 G HN 0.408 nan 8.290 nan 0.000 0.513 314 K N 0.344 120.636 120.400 -0.180 0.000 2.484 314 K HA 0.392 4.712 4.320 -0.000 0.000 0.280 314 K C 1.499 177.825 176.600 -0.457 0.000 1.013 314 K CA 1.677 57.779 56.287 -0.309 0.000 1.029 314 K CB -0.059 32.266 32.500 -0.292 0.000 0.902 314 K HN 2.310 nan 8.250 nan 0.000 0.481 315 G N 3.821 112.249 108.800 -0.620 0.000 2.189 315 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 315 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 315 G C 0.766 175.608 174.900 -0.097 0.000 0.975 315 G CA 0.288 45.072 45.100 -0.527 0.000 0.644 315 G HN 0.655 nan 8.290 nan 0.000 0.537 316 R N 0.369 120.799 120.500 -0.115 0.000 2.275 316 R HA 0.172 4.512 4.340 -0.000 0.000 0.199 316 R C 2.012 178.291 176.300 -0.035 0.000 0.989 316 R CA 0.964 57.038 56.100 -0.042 0.000 1.016 316 R CB -0.424 29.833 30.300 -0.071 0.000 0.918 316 R HN 0.756 nan 8.270 nan 0.000 0.473 317 E N -0.043 120.062 120.200 -0.160 0.000 2.070 317 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 317 E C -0.550 175.755 176.600 -0.492 0.000 1.004 317 E CA 1.033 57.168 56.400 -0.442 0.000 0.805 317 E CB 0.112 29.362 29.700 -0.750 0.000 0.744 317 E HN 0.098 nan 8.360 nan 0.000 0.451 318 F N 0.090 120.144 119.950 0.174 0.000 2.458 318 F HA 0.389 4.916 4.527 -0.000 0.000 0.336 318 F C -0.381 175.665 175.800 0.410 0.000 1.114 318 F CA -1.160 56.991 58.000 0.252 0.000 0.987 318 F CB 1.349 40.499 39.000 0.249 0.000 1.130 318 F HN -0.083 nan 8.300 nan 0.000 0.458 319 F N 1.039 121.201 119.950 0.354 0.000 2.631 319 F HA 0.836 5.363 4.527 -0.000 0.000 0.308 319 F C -2.086 173.948 175.800 0.389 0.000 1.097 319 F CA -1.426 56.781 58.000 0.344 0.000 0.952 319 F CB 1.280 40.509 39.000 0.381 0.000 1.307 319 F HN 0.184 nan 8.300 nan 0.000 0.450 320 L N 2.350 123.845 121.223 0.453 0.000 2.330 320 L HA 0.500 4.840 4.340 -0.000 0.000 0.271 320 L C -1.542 175.643 176.870 0.526 0.000 1.013 320 L CA -1.249 53.816 54.840 0.375 0.000 0.816 320 L CB 2.129 44.316 42.059 0.213 0.000 1.287 320 L HN 0.746 nan 8.230 nan 0.000 0.435 321 Y N 1.382 121.881 120.300 0.331 0.000 2.328 321 Y HA 0.573 5.123 4.550 -0.000 0.000 0.333 321 Y C -0.021 176.025 175.900 0.243 0.000 0.958 321 Y CA -1.269 57.012 58.100 0.302 0.000 1.167 321 Y CB 1.631 40.283 38.460 0.319 0.000 1.151 321 Y HN 0.574 nan 8.280 nan 0.000 0.470 322 A N 5.104 127.831 122.820 -0.154 0.000 3.037 322 A HA 0.325 4.645 4.320 -0.000 0.000 0.272 322 A C 0.461 177.818 177.584 -0.380 0.000 1.723 322 A CA 0.024 51.964 52.037 -0.163 0.000 1.413 322 A CB -0.953 18.081 19.000 0.056 0.000 1.112 322 A HN 0.665 nan 8.150 nan 0.000 0.606 323 S N 0.883 116.310 115.700 -0.456 0.000 2.572 323 S HA 0.179 4.649 4.470 -0.000 0.000 0.279 323 S C 1.616 176.171 174.600 -0.075 0.000 1.341 323 S CA 0.138 58.188 58.200 -0.250 0.000 1.043 323 S CB 0.515 63.780 63.200 0.108 0.000 0.887 323 S HN 1.144 nan 8.310 nan 0.000 0.516 324 S N 3.366 119.045 115.700 -0.036 0.000 2.561 324 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 324 S C 0.756 175.348 174.600 -0.013 0.000 0.977 324 S CA 0.027 58.219 58.200 -0.013 0.000 0.926 324 S CB -0.213 62.984 63.200 -0.005 0.000 0.769 324 S HN 0.739 nan 8.310 nan 0.000 0.533 325 R N 1.951 122.442 120.500 -0.015 0.000 2.215 325 R HA 0.330 4.670 4.340 -0.000 0.000 0.337 325 R C -0.104 176.208 176.300 0.020 0.000 1.010 325 R CA -0.732 55.353 56.100 -0.025 0.000 0.871 325 R CB 0.537 30.761 30.300 -0.125 0.000 1.134 325 R HN 0.258 nan 8.270 nan 0.000 0.477 326 R N 2.865 123.375 120.500 0.015 0.000 2.537 326 R HA -0.030 4.310 4.340 -0.000 0.000 0.281 326 R C 0.593 176.883 176.300 -0.018 0.000 0.988 326 R CA 1.854 57.965 56.100 0.017 0.000 1.077 326 R CB 0.199 30.535 30.300 0.060 0.000 0.932 326 R HN 0.995 nan 8.270 nan 0.000 0.409 327 G N 2.942 111.619 108.800 -0.205 0.000 2.168 327 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 327 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 327 G C -0.372 174.355 174.900 -0.287 0.000 0.977 327 G CA 0.488 45.279 45.100 -0.516 0.000 0.659 327 G HN 0.705 nan 8.290 nan 0.000 0.533 328 Y N 1.053 121.222 120.300 -0.219 0.000 2.539 328 Y HA 0.444 4.994 4.550 -0.000 0.000 0.352 328 Y C 1.100 177.012 175.900 0.020 0.000 1.004 328 Y CA -0.812 57.203 58.100 -0.143 0.000 1.278 328 Y CB -0.504 37.979 38.460 0.038 0.000 1.136 328 Y HN 0.353 nan 8.280 nan 0.000 0.528 329 Y N 2.952 123.040 120.300 -0.353 0.000 2.967 329 Y HA -0.324 4.226 4.550 -0.000 0.000 0.208 329 Y C 1.563 177.427 175.900 -0.060 0.000 1.214 329 Y CA 0.543 58.456 58.100 -0.312 0.000 0.915 329 Y CB -1.067 37.198 38.460 -0.324 0.000 1.218 329 Y HN 0.849 nan 8.280 nan 0.000 0.472 330 G N -0.652 108.097 108.800 -0.085 0.000 2.595 330 G HA2 0.225 4.185 3.960 -0.000 0.000 0.213 330 G HA3 0.225 4.185 3.960 -0.000 0.000 0.213 330 G C 0.166 175.106 174.900 0.066 0.000 1.141 330 G CA 0.579 45.700 45.100 0.035 0.000 0.806 330 G HN 0.199 nan 8.290 nan 0.000 0.530 331 V N 0.840 120.646 119.914 -0.181 0.000 2.334 331 V HA 0.497 4.617 4.120 -0.000 0.000 0.281 331 V C -1.120 174.707 176.094 -0.445 0.000 1.016 331 V CA -1.058 61.113 62.300 -0.215 0.000 0.832 331 V CB 0.758 32.370 31.823 -0.352 0.000 0.999 331 V HN 0.270 nan 8.190 nan 0.000 0.439 332 W N 2.733 123.793 121.300 -0.400 0.000 2.627 332 W HA 0.751 5.411 4.660 -0.000 0.000 0.339 332 W C 0.043 176.224 176.519 -0.562 0.000 1.058 332 W CA -0.399 56.525 57.345 -0.703 0.000 1.223 332 W CB 1.480 29.913 29.460 -1.711 0.000 1.389 332 W HN 0.456 nan 8.180 nan 0.000 0.541 333 Q N 1.944 121.616 119.800 -0.214 0.000 2.345 333 Q HA 0.376 4.716 4.340 -0.000 0.000 0.275 333 Q C -1.342 174.283 176.000 -0.625 0.000 1.063 333 Q CA -0.777 54.814 55.803 -0.355 0.000 0.819 333 Q CB 2.404 31.006 28.738 -0.227 0.000 1.356 333 Q HN 0.565 nan 8.270 nan 0.000 0.418 334 E N 1.720 121.493 120.200 -0.712 0.000 2.266 334 E HA 0.378 4.728 4.350 -0.000 0.000 0.268 334 E C -1.342 174.787 176.600 -0.784 0.000 0.879 334 E CA -0.618 55.377 56.400 -0.675 0.000 0.762 334 E CB 0.827 30.284 29.700 -0.405 0.000 1.199 334 E HN 0.491 nan 8.360 nan 0.000 0.422 335 F N 1.681 121.596 119.950 -0.057 0.000 2.983 335 F HA 0.204 4.731 4.527 -0.000 0.000 0.307 335 F C 1.246 176.957 175.800 -0.149 0.000 1.218 335 F CA -0.486 57.415 58.000 -0.164 0.000 1.323 335 F CB 0.103 39.098 39.000 -0.008 0.000 0.989 335 F HN 0.670 nan 8.300 nan 0.000 0.509 336 E N 0.471 120.654 120.200 -0.028 0.000 2.114 336 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 336 E C 1.479 178.000 176.600 -0.133 0.000 1.008 336 E CA 1.575 57.955 56.400 -0.033 0.000 0.810 336 E CB -0.206 29.459 29.700 -0.058 0.000 0.739 336 E HN 0.484 nan 8.360 nan 0.000 0.456 337 K N 0.338 120.559 120.400 -0.298 0.000 2.021 337 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 337 K C 2.369 178.595 176.600 -0.624 0.000 1.047 337 K CA 1.552 57.539 56.287 -0.499 0.000 0.943 337 K CB -0.017 31.979 32.500 -0.840 0.000 0.725 337 K HN 0.025 nan 8.250 nan 0.000 0.439 338 Q N -0.348 119.015 119.800 -0.730 0.000 2.046 338 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 338 Q C 0.134 175.785 176.000 -0.581 0.000 0.975 338 Q CA 1.442 56.757 55.803 -0.814 0.000 0.836 338 Q CB 0.096 28.102 28.738 -1.219 0.000 0.896 338 Q HN 0.390 nan 8.270 nan 0.000 0.428 339 Y N -1.443 118.870 120.300 0.022 0.000 2.511 339 Y HA 0.293 4.843 4.550 -0.000 0.000 0.356 339 Y C -1.933 174.013 175.900 0.075 0.000 1.002 339 Y CA -2.315 55.816 58.100 0.051 0.000 1.127 339 Y CB 1.088 39.575 38.460 0.044 0.000 1.137 339 Y HN 0.074 nan 8.280 nan 0.000 0.652 340 P HA -0.256 nan 4.420 nan 0.000 0.219 340 P C 0.856 178.216 177.300 0.100 0.000 1.158 340 P CA 1.883 65.031 63.100 0.080 0.000 0.895 340 P CB 0.382 32.110 31.700 0.047 0.000 0.792 341 D N -1.969 118.496 120.400 0.108 0.000 2.354 341 D HA 0.110 4.749 4.640 -0.000 0.000 0.209 341 D C 1.833 178.201 176.300 0.113 0.000 1.015 341 D CA 0.511 54.563 54.000 0.087 0.000 0.867 341 D CB 0.030 40.857 40.800 0.045 0.000 0.933 341 D HN 0.058 nan 8.370 nan 0.000 0.520 342 A N 1.846 124.768 122.820 0.169 0.000 1.958 342 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 342 A C 0.959 178.701 177.584 0.262 0.000 1.178 342 A CA 1.372 53.528 52.037 0.197 0.000 0.642 342 A CB -0.310 18.801 19.000 0.184 0.000 0.816 342 A HN 0.248 nan 8.150 nan 0.000 0.453 343 N N -2.515 116.406 118.700 0.368 0.000 2.776 343 N HA -0.122 4.617 4.740 -0.000 0.000 0.249 343 N C -0.666 175.253 175.510 0.682 0.000 1.111 343 N CA 1.013 54.387 53.050 0.540 0.000 0.711 343 N CB -1.849 36.862 38.487 0.374 0.000 1.065 343 N HN 0.304 nan 8.380 nan 0.000 0.556 344 V N 0.802 121.065 119.914 0.581 0.000 2.547 344 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 344 V C 0.665 177.027 176.094 0.448 0.000 1.040 344 V CA -0.582 62.062 62.300 0.574 0.000 0.913 344 V CB 2.210 34.378 31.823 0.575 0.000 0.992 344 V HN 0.124 nan 8.190 nan 0.000 0.449 345 L N 4.238 125.713 121.223 0.420 0.000 2.333 345 L HA 0.673 5.013 4.340 -0.000 0.000 0.263 345 L C -1.241 175.828 176.870 0.331 0.000 1.014 345 L CA -0.916 54.050 54.840 0.210 0.000 0.820 345 L CB 2.226 44.366 42.059 0.136 0.000 1.352 345 L HN 0.458 nan 8.230 nan 0.000 0.421 346 L N 2.123 123.439 121.223 0.155 0.000 2.406 346 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 346 L C -1.297 175.371 176.870 -0.335 0.000 0.980 346 L CA -0.347 54.430 54.840 -0.104 0.000 0.831 346 L CB 1.871 43.924 42.059 -0.010 0.000 1.253 346 L HN 0.295 nan 8.230 nan 0.000 0.406 347 V N 4.739 124.292 119.914 -0.602 0.000 2.513 347 V HA 0.714 4.834 4.120 -0.000 0.000 0.299 347 V C -0.376 175.399 176.094 -0.533 0.000 1.035 347 V CA 0.031 61.725 62.300 -1.010 0.000 0.889 347 V CB 2.178 32.966 31.823 -1.726 0.000 0.988 347 V HN 0.938 nan 8.190 nan 0.000 0.440 348 T N 6.331 120.629 114.554 -0.428 0.000 2.823 348 T HA 0.701 5.051 4.350 -0.000 0.000 0.279 348 T C -0.459 174.101 174.700 -0.234 0.000 0.998 348 T CA -0.290 61.637 62.100 -0.287 0.000 0.994 348 T CB 1.463 70.221 68.868 -0.185 0.000 0.960 348 T HN 0.986 nan 8.240 nan 0.000 0.448 349 V N 0.401 120.190 119.914 -0.208 0.000 3.141 349 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 349 V C -0.286 175.773 176.094 -0.058 0.000 1.157 349 V CA -0.930 61.301 62.300 -0.115 0.000 1.041 349 V CB 1.817 33.505 31.823 -0.225 0.000 1.071 349 V HN 1.038 nan 8.190 nan 0.000 0.441 350 T N -2.616 111.966 114.554 0.047 0.000 2.754 350 T HA 0.645 4.995 4.350 -0.000 0.000 0.296 350 T C 0.013 174.716 174.700 0.005 0.000 1.205 350 T CA 0.496 62.616 62.100 0.033 0.000 1.009 350 T CB 1.475 70.386 68.868 0.072 0.000 1.368 350 T HN 1.602 nan 8.240 nan 0.000 0.509 351 D N 0.390 120.765 120.400 -0.041 0.000 3.740 351 D HA -0.281 4.359 4.640 -0.000 0.000 0.147 351 D C 1.342 177.565 176.300 -0.129 0.000 0.885 351 D CA 2.221 56.169 54.000 -0.086 0.000 1.051 351 D CB -0.979 39.809 40.800 -0.020 0.000 0.480 351 D HN 0.831 nan 8.370 nan 0.000 0.469 352 E N -0.288 119.859 120.200 -0.088 0.000 2.085 352 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 352 E C 1.979 178.526 176.600 -0.088 0.000 0.994 352 E CA 1.276 57.616 56.400 -0.100 0.000 0.801 352 E CB -0.160 29.511 29.700 -0.050 0.000 0.743 352 E HN 0.355 nan 8.360 nan 0.000 0.453 353 E N 0.454 120.619 120.200 -0.058 0.000 2.072 353 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 353 E C 2.270 178.821 176.600 -0.083 0.000 0.985 353 E CA 0.644 56.999 56.400 -0.075 0.000 0.801 353 E CB -0.144 29.483 29.700 -0.123 0.000 0.750 353 E HN 0.068 nan 8.360 nan 0.000 0.452 354 S N 0.836 116.487 115.700 -0.082 0.000 2.359 354 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 354 S C 1.941 176.506 174.600 -0.059 0.000 1.035 354 S CA 1.124 59.294 58.200 -0.050 0.000 1.018 354 S CB -0.160 63.019 63.200 -0.036 0.000 0.876 354 S HN 0.240 nan 8.310 nan 0.000 0.448 355 R N 0.665 121.032 120.500 -0.221 0.000 2.120 355 R HA 0.002 4.342 4.340 -0.000 0.000 0.234 355 R C 2.602 178.868 176.300 -0.058 0.000 1.123 355 R CA 1.104 56.987 56.100 -0.362 0.000 0.975 355 R CB -0.214 29.616 30.300 -0.783 0.000 0.866 355 R HN 0.321 nan 8.270 nan 0.000 0.446 356 R N 1.088 121.562 120.500 -0.044 0.000 2.066 356 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 356 R C 2.107 178.455 176.300 0.079 0.000 1.131 356 R CA 1.401 57.520 56.100 0.032 0.000 0.955 356 R CB -0.195 30.118 30.300 0.022 0.000 0.851 356 R HN 0.153 nan 8.270 nan 0.000 0.432 357 I N 0.993 121.601 120.570 0.064 0.000 2.315 357 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 357 I C 2.082 178.273 176.117 0.123 0.000 1.117 357 I CA 1.304 62.660 61.300 0.093 0.000 1.404 357 I CB -0.230 37.809 38.000 0.065 0.000 1.071 357 I HN 0.311 nan 8.210 nan 0.000 0.419 358 E N 0.508 120.803 120.200 0.158 0.000 2.153 358 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 358 E C 1.793 178.503 176.600 0.183 0.000 0.988 358 E CA 0.948 57.469 56.400 0.201 0.000 0.811 358 E CB -0.085 29.820 29.700 0.341 0.000 0.746 358 E HN 0.610 nan 8.360 nan 0.000 0.466 359 Q N 0.373 120.293 119.800 0.200 0.000 2.444 359 Q HA -0.029 4.311 4.340 -0.000 0.000 0.206 359 Q C 0.625 176.694 176.000 0.115 0.000 0.948 359 Q CA 0.214 56.116 55.803 0.165 0.000 0.946 359 Q CB 0.196 29.050 28.738 0.193 0.000 1.027 359 Q HN 0.320 nan 8.270 nan 0.000 0.513 360 Q N -0.864 119.001 119.800 0.108 0.000 2.552 360 Q HA 0.504 4.844 4.340 -0.000 0.000 0.289 360 Q C -0.565 175.484 176.000 0.083 0.000 1.097 360 Q CA -0.911 54.946 55.803 0.091 0.000 0.812 360 Q CB 1.194 29.991 28.738 0.098 0.000 1.460 360 Q HN 0.004 nan 8.270 nan 0.000 0.452 361 S N -0.127 115.617 115.700 0.073 0.000 2.593 361 S HA 0.065 4.534 4.470 -0.000 0.000 0.269 361 S C 0.027 174.670 174.600 0.070 0.000 1.334 361 S CA 0.064 58.302 58.200 0.064 0.000 1.015 361 S CB 0.684 63.917 63.200 0.055 0.000 0.912 361 S HN 0.646 nan 8.310 nan 0.000 0.541 362 D N 0.814 121.252 120.400 0.063 0.000 2.144 362 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 362 D C 1.790 178.127 176.300 0.062 0.000 0.984 362 D CA 1.658 55.697 54.000 0.065 0.000 0.834 362 D CB -0.298 40.538 40.800 0.061 0.000 0.955 362 D HN 0.884 nan 8.370 nan 0.000 0.465 363 E N 0.464 120.698 120.200 0.056 0.000 2.077 363 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 363 E C 1.985 178.619 176.600 0.058 0.000 0.989 363 E CA 0.939 57.370 56.400 0.051 0.000 0.800 363 E CB 0.001 29.728 29.700 0.044 0.000 0.746 363 E HN 0.285 nan 8.360 nan 0.000 0.452 364 Q N -0.215 119.625 119.800 0.067 0.000 2.084 364 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 364 Q C 1.946 178.002 176.000 0.095 0.000 0.978 364 Q CA 2.084 57.935 55.803 0.080 0.000 0.844 364 Q CB 0.023 28.811 28.738 0.085 0.000 0.898 364 Q HN 0.241 nan 8.270 nan 0.000 0.426 365 T N 0.622 115.236 114.554 0.099 0.000 2.777 365 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 365 T C 1.615 176.342 174.700 0.045 0.000 1.040 365 T CA 1.454 63.623 62.100 0.115 0.000 1.141 365 T CB -0.138 68.806 68.868 0.126 0.000 0.868 365 T HN 0.284 nan 8.240 nan 0.000 0.444 366 K N 1.128 121.553 120.400 0.041 0.000 2.063 366 K HA -0.039 4.281 4.320 -0.000 0.000 0.208 366 K C 2.407 179.017 176.600 0.017 0.000 1.048 366 K CA 1.246 57.546 56.287 0.022 0.000 0.928 366 K CB -0.306 32.215 32.500 0.034 0.000 0.713 366 K HN 0.273 nan 8.250 nan 0.000 0.442 367 A N 1.091 123.933 122.820 0.036 0.000 1.898 367 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 367 A C 1.829 179.433 177.584 0.033 0.000 1.181 367 A CA 1.688 53.749 52.037 0.041 0.000 0.620 367 A CB -0.460 18.573 19.000 0.054 0.000 0.819 367 A HN 0.472 nan 8.150 nan 0.000 0.442 368 E N -0.266 119.959 120.200 0.040 0.000 2.110 368 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 368 E C 1.846 178.357 176.600 -0.149 0.000 0.988 368 E CA 1.216 57.648 56.400 0.053 0.000 0.804 368 E CB -0.282 29.535 29.700 0.195 0.000 0.745 368 E HN 0.700 nan 8.360 nan 0.000 0.458 369 I N 0.546 120.929 120.570 -0.311 0.000 2.315 369 I HA -0.244 3.925 4.170 -0.000 0.000 0.248 369 I C 2.264 178.330 176.117 -0.084 0.000 1.117 369 I CA 0.605 61.675 61.300 -0.384 0.000 1.404 369 I CB -0.164 37.660 38.000 -0.294 0.000 1.071 369 I HN 0.183 nan 8.210 nan 0.000 0.419 370 M N 0.074 119.671 119.600 -0.005 0.000 2.117 370 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 370 M C 2.242 178.543 176.300 0.001 0.000 1.065 370 M CA 1.758 57.085 55.300 0.045 0.000 1.114 370 M CB -1.221 31.415 32.600 0.061 0.000 1.361 370 M HN 0.287 nan 8.290 nan 0.000 0.408 371 Q N -0.716 119.085 119.800 0.001 0.000 2.124 371 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 371 Q C 2.223 178.210 176.000 -0.021 0.000 0.977 371 Q CA 1.313 57.124 55.803 0.014 0.000 0.850 371 Q CB -0.084 28.694 28.738 0.067 0.000 0.901 371 Q HN 0.310 nan 8.270 nan 0.000 0.429 372 V N 0.928 120.803 119.914 -0.066 0.000 2.295 372 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 372 V C 2.164 178.076 176.094 -0.303 0.000 1.049 372 V CA 1.587 63.758 62.300 -0.216 0.000 1.024 372 V CB -0.451 31.205 31.823 -0.278 0.000 0.648 372 V HN 0.356 nan 8.190 nan 0.000 0.447 373 L N -0.630 120.479 121.223 -0.190 0.000 2.042 373 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 373 L C 2.721 179.537 176.870 -0.090 0.000 1.076 373 L CA 1.703 56.459 54.840 -0.141 0.000 0.749 373 L CB -0.581 41.479 42.059 0.002 0.000 0.893 373 L HN 0.227 nan 8.230 nan 0.000 0.432 374 R N -0.147 120.298 120.500 -0.092 0.000 2.148 374 R HA -0.140 4.200 4.340 -0.000 0.000 0.227 374 R C 2.247 178.511 176.300 -0.061 0.000 1.103 374 R CA 1.016 57.072 56.100 -0.074 0.000 0.983 374 R CB -0.118 30.147 30.300 -0.059 0.000 0.874 374 R HN 0.331 nan 8.270 nan 0.000 0.451 375 K N 0.033 120.386 120.400 -0.080 0.000 2.103 375 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 375 K C 1.995 178.540 176.600 -0.091 0.000 1.052 375 K CA 1.139 57.402 56.287 -0.040 0.000 0.945 375 K CB 0.097 32.614 32.500 0.029 0.000 0.722 375 K HN 0.115 nan 8.250 nan 0.000 0.443 376 M N -0.609 118.830 119.600 -0.268 0.000 2.200 376 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 376 M C 0.197 176.073 176.300 -0.708 0.000 1.066 376 M CA 1.378 56.360 55.300 -0.530 0.000 1.127 376 M CB 0.268 32.239 32.600 -1.049 0.000 1.379 376 M HN -0.044 nan 8.290 nan 0.000 0.420 377 F N 0.011 119.916 119.950 -0.075 0.000 2.532 377 F HA 0.281 4.808 4.527 -0.000 0.000 0.313 377 F C -1.612 174.156 175.800 -0.053 0.000 1.301 377 F CA -1.970 56.009 58.000 -0.035 0.000 1.154 377 F CB -0.170 38.807 39.000 -0.039 0.000 1.335 377 F HN -0.043 nan 8.300 nan 0.000 0.542 378 P HA -0.146 nan 4.420 nan 0.000 0.218 378 P C 1.725 179.046 177.300 0.035 0.000 1.148 378 P CA 1.336 64.451 63.100 0.025 0.000 0.822 378 P CB 0.210 31.916 31.700 0.010 0.000 0.784 379 G N -0.766 108.074 108.800 0.066 0.000 2.744 379 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.211 379 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.211 379 G C 0.774 175.695 174.900 0.035 0.000 1.143 379 G CA 0.235 45.363 45.100 0.048 0.000 0.788 379 G HN 0.232 nan 8.290 nan 0.000 0.534 380 K N 0.262 120.688 120.400 0.042 0.000 2.245 380 K HA 0.331 4.651 4.320 -0.000 0.000 0.234 380 K C -1.395 175.166 176.600 -0.065 0.000 1.021 380 K CA -0.848 55.432 56.287 -0.011 0.000 0.898 380 K CB 1.194 33.689 32.500 -0.010 0.000 1.163 380 K HN -0.096 nan 8.250 nan 0.000 0.459 381 D N 1.416 121.763 120.400 -0.088 0.000 2.373 381 D HA 0.192 4.832 4.640 -0.000 0.000 0.227 381 D C -1.061 175.123 176.300 -0.193 0.000 1.091 381 D CA -0.540 53.398 54.000 -0.102 0.000 0.840 381 D CB 0.883 41.646 40.800 -0.061 0.000 1.060 381 D HN 0.031 nan 8.370 nan 0.000 0.502 382 V N 7.032 126.773 119.914 -0.288 0.000 2.385 382 V HA 0.300 4.420 4.120 -0.000 0.000 0.269 382 V C -1.715 174.226 176.094 -0.255 0.000 1.043 382 V CA -1.269 60.694 62.300 -0.562 0.000 0.906 382 V CB 1.106 32.478 31.823 -0.752 0.000 0.995 382 V HN 0.506 nan 8.190 nan 0.000 0.467 383 P HA 0.185 nan 4.420 nan 0.000 0.274 383 P C -0.475 176.957 177.300 0.220 0.000 1.231 383 P CA -0.465 62.691 63.100 0.092 0.000 0.790 383 P CB 0.804 32.627 31.700 0.205 0.000 0.951 384 D N 0.251 120.754 120.400 0.171 0.000 2.443 384 D HA 0.185 4.825 4.640 -0.000 0.000 0.239 384 D C 0.490 176.915 176.300 0.210 0.000 1.136 384 D CA 0.430 54.537 54.000 0.179 0.000 0.879 384 D CB 0.787 41.641 40.800 0.091 0.000 1.195 384 D HN 0.372 nan 8.370 nan 0.000 0.443 385 A N 1.672 124.541 122.820 0.083 0.000 2.445 385 A HA 0.195 4.515 4.320 -0.000 0.000 0.242 385 A C 1.389 178.900 177.584 -0.122 0.000 1.075 385 A CA -0.032 51.803 52.037 -0.336 0.000 0.777 385 A CB 0.230 18.872 19.000 -0.597 0.000 1.013 385 A HN 0.625 nan 8.150 nan 0.000 0.493 386 T N -1.046 113.434 114.554 -0.123 0.000 3.035 386 T HA 0.163 4.513 4.350 -0.000 0.000 0.259 386 T C 0.236 174.903 174.700 -0.054 0.000 1.078 386 T CA 1.157 63.225 62.100 -0.053 0.000 1.132 386 T CB -0.086 68.762 68.868 -0.033 0.000 0.900 386 T HN 0.664 nan 8.240 nan 0.000 0.480 387 D N -0.681 119.681 120.400 -0.063 0.000 2.661 387 D HA 0.652 5.292 4.640 -0.000 0.000 0.228 387 D C -1.794 174.638 176.300 0.220 0.000 1.210 387 D CA -0.769 53.248 54.000 0.029 0.000 0.826 387 D CB 2.410 43.137 40.800 -0.121 0.000 1.542 387 D HN 0.261 nan 8.370 nan 0.000 0.447 388 I N 1.895 122.644 120.570 0.299 0.000 2.802 388 I HA 0.556 4.726 4.170 -0.000 0.000 0.298 388 I C -2.104 174.140 176.117 0.212 0.000 1.176 388 I CA -1.003 60.448 61.300 0.252 0.000 1.025 388 I CB 1.857 39.919 38.000 0.104 0.000 1.243 388 I HN 0.333 nan 8.210 nan 0.000 0.424 389 L N 8.255 129.480 121.223 0.003 0.000 2.372 389 L HA 0.608 4.948 4.340 -0.000 0.000 0.274 389 L C -1.666 175.217 176.870 0.021 0.000 0.988 389 L CA -0.392 54.435 54.840 -0.021 0.000 0.833 389 L CB 1.713 43.589 42.059 -0.305 0.000 1.236 389 L HN 0.322 nan 8.230 nan 0.000 0.410 390 V N 6.955 126.898 119.914 0.048 0.000 2.284 390 V HA 0.436 4.556 4.120 -0.000 0.000 0.274 390 V C -2.035 174.094 176.094 0.059 0.000 1.023 390 V CA -1.337 61.002 62.300 0.064 0.000 0.808 390 V CB 0.975 32.839 31.823 0.069 0.000 1.035 390 V HN 0.725 nan 8.190 nan 0.000 0.445 391 P HA 0.218 nan 4.420 nan 0.000 0.265 391 P C -0.097 177.211 177.300 0.015 0.000 1.193 391 P CA 0.033 63.131 63.100 -0.004 0.000 0.765 391 P CB 0.386 32.180 31.700 0.156 0.000 0.823 392 R N 2.413 122.855 120.500 -0.096 0.000 3.472 392 R HA 0.161 4.501 4.340 -0.000 0.000 0.322 392 R C 0.355 176.706 176.300 0.085 0.000 1.330 392 R CA -0.135 55.990 56.100 0.042 0.000 1.387 392 R CB -0.124 30.196 30.300 0.034 0.000 1.446 392 R HN 0.620 nan 8.270 nan 0.000 0.628 393 W N -0.404 120.987 121.300 0.151 0.000 2.374 393 W HA -0.195 4.465 4.660 -0.000 0.000 0.288 393 W C 1.827 178.482 176.519 0.226 0.000 1.218 393 W CA 0.458 57.898 57.345 0.158 0.000 1.245 393 W CB -0.079 29.459 29.460 0.130 0.000 1.126 393 W HN 0.537 nan 8.180 nan 0.000 0.545 394 W N 0.713 122.177 121.300 0.272 0.000 2.418 394 W HA -0.097 4.563 4.660 -0.000 0.000 0.292 394 W C 2.136 178.727 176.519 0.120 0.000 1.213 394 W CA 1.853 59.299 57.345 0.169 0.000 1.283 394 W CB -0.635 28.892 29.460 0.112 0.000 1.119 394 W HN -0.357 nan 8.180 nan 0.000 0.542 395 S N -0.047 115.626 115.700 -0.045 0.000 2.453 395 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 395 S C 0.314 174.798 174.600 -0.195 0.000 1.005 395 S CA 0.824 58.846 58.200 -0.295 0.000 0.949 395 S CB -0.550 62.574 63.200 -0.126 0.000 0.774 395 S HN 0.184 nan 8.310 nan 0.000 0.510 396 D N 1.948 122.325 120.400 -0.038 0.000 2.358 396 D HA 0.022 4.662 4.640 -0.000 0.000 0.258 396 D C 1.254 177.494 176.300 -0.100 0.000 1.223 396 D CA -0.327 53.651 54.000 -0.037 0.000 0.886 396 D CB 0.661 41.568 40.800 0.180 0.000 1.120 396 D HN 0.329 nan 8.370 nan 0.000 0.482 397 R N 3.185 123.481 120.500 -0.341 0.000 2.249 397 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 397 R C 1.125 177.246 176.300 -0.299 0.000 1.121 397 R CA 1.180 57.063 56.100 -0.363 0.000 0.997 397 R CB -0.436 29.596 30.300 -0.447 0.000 0.867 397 R HN 0.378 nan 8.270 nan 0.000 0.465 398 F N -1.142 118.753 119.950 -0.093 0.000 2.765 398 F HA 0.213 4.740 4.527 -0.000 0.000 0.302 398 F C 0.685 176.040 175.800 -0.742 0.000 1.111 398 F CA -0.189 57.578 58.000 -0.389 0.000 1.359 398 F CB 0.330 39.032 39.000 -0.496 0.000 1.097 398 F HN -0.057 nan 8.300 nan 0.000 0.577 399 Y N -1.704 118.746 120.300 0.249 0.000 2.844 399 Y HA 0.157 4.707 4.550 -0.000 0.000 0.256 399 Y C 0.858 176.869 175.900 0.184 0.000 1.134 399 Y CA -0.710 57.549 58.100 0.266 0.000 1.209 399 Y CB 0.210 38.954 38.460 0.473 0.000 1.418 399 Y HN -0.375 nan 8.280 nan 0.000 0.459 400 K N 1.181 121.757 120.400 0.294 0.000 3.016 400 K HA -0.140 4.180 4.320 -0.000 0.000 0.262 400 K C 0.160 176.958 176.600 0.329 0.000 1.043 400 K CA 1.150 57.562 56.287 0.207 0.000 0.761 400 K CB -1.768 30.797 32.500 0.109 0.000 1.230 400 K HN 0.802 nan 8.250 nan 0.000 0.485 401 G N -2.360 106.663 108.800 0.373 0.000 2.369 401 G HA2 0.155 4.115 3.960 -0.000 0.000 0.293 401 G HA3 0.155 4.115 3.960 -0.000 0.000 0.293 401 G C 0.371 175.325 174.900 0.090 0.000 1.301 401 G CA 0.432 45.675 45.100 0.237 0.000 0.913 401 G HN 0.191 nan 8.290 nan 0.000 0.540 402 T N -2.723 111.720 114.554 -0.185 0.000 3.019 402 T HA 0.630 4.980 4.350 -0.000 0.000 0.247 402 T C 0.364 174.923 174.700 -0.236 0.000 0.992 402 T CA 1.502 63.363 62.100 -0.399 0.000 1.036 402 T CB 0.153 68.682 68.868 -0.564 0.000 1.063 402 T HN 1.890 nan 8.240 nan 0.000 0.476 403 F N 0.727 120.650 119.950 -0.046 0.000 2.746 403 F HA 0.703 5.230 4.527 -0.000 0.000 0.311 403 F C -0.420 175.400 175.800 0.034 0.000 1.135 403 F CA -1.659 56.323 58.000 -0.029 0.000 0.954 403 F CB 0.458 39.389 39.000 -0.115 0.000 1.276 403 F HN 0.118 nan 8.300 nan 0.000 0.440 404 S N 1.157 117.064 115.700 0.345 0.000 2.600 404 S HA 0.594 5.064 4.470 -0.000 0.000 0.265 404 S C -0.669 174.113 174.600 0.303 0.000 1.325 404 S CA -0.227 58.165 58.200 0.319 0.000 1.002 404 S CB 1.317 64.827 63.200 0.518 0.000 0.921 404 S HN 0.928 nan 8.310 nan 0.000 0.554 405 N N -0.387 118.359 118.700 0.077 0.000 2.264 405 N HA 0.271 5.011 4.740 -0.000 0.000 0.288 405 N C -2.088 173.111 175.510 -0.518 0.000 1.094 405 N CA -0.608 52.416 53.050 -0.043 0.000 0.817 405 N CB 1.188 39.678 38.487 0.005 0.000 1.604 405 N HN 0.797 nan 8.380 nan 0.000 0.473 406 W N 6.253 127.196 121.300 -0.595 0.000 2.342 406 W HA 0.451 5.111 4.660 -0.000 0.000 0.310 406 W C -2.564 173.641 176.519 -0.524 0.000 1.128 406 W CA -1.928 54.942 57.345 -0.791 0.000 1.322 406 W CB 0.451 29.744 29.460 -0.279 0.000 1.251 406 W HN 0.422 nan 8.180 nan 0.000 0.439 407 P HA 0.068 nan 4.420 nan 0.000 0.284 407 P C -0.442 176.900 177.300 0.071 0.000 1.258 407 P CA -0.355 62.697 63.100 -0.081 0.000 0.824 407 P CB 2.077 33.691 31.700 -0.145 0.000 1.038 408 V N 1.623 121.541 119.914 0.007 0.000 2.655 408 V HA 0.392 4.512 4.120 -0.000 0.000 0.300 408 V C 1.262 177.388 176.094 0.054 0.000 1.044 408 V CA 1.880 64.192 62.300 0.020 0.000 1.095 408 V CB -0.439 31.367 31.823 -0.029 0.000 0.952 408 V HN 1.023 nan 8.190 nan 0.000 0.485 409 G N 4.104 112.957 108.800 0.088 0.000 2.278 409 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.210 409 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.210 409 G C -0.022 174.970 174.900 0.154 0.000 1.000 409 G CA -0.037 45.120 45.100 0.094 0.000 0.635 409 G HN 1.306 nan 8.290 nan 0.000 0.495 410 V N 3.674 123.732 119.914 0.239 0.000 2.407 410 V HA 0.568 4.688 4.120 -0.000 0.000 0.278 410 V C 0.391 176.780 176.094 0.491 0.000 1.037 410 V CA -0.340 62.145 62.300 0.307 0.000 0.900 410 V CB 1.364 33.333 31.823 0.243 0.000 0.983 410 V HN 0.693 nan 8.190 nan 0.000 0.459 411 N N 4.876 123.807 118.700 0.385 0.000 2.530 411 N HA 0.291 5.030 4.740 -0.000 0.000 0.283 411 N C 0.946 176.768 175.510 0.519 0.000 1.238 411 N CA -0.927 52.376 53.050 0.422 0.000 0.971 411 N CB 0.856 39.507 38.487 0.273 0.000 1.195 411 N HN 0.396 nan 8.380 nan 0.000 0.583 412 R N -1.261 119.524 120.500 0.475 0.000 2.127 412 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 412 R C 1.677 178.184 176.300 0.346 0.000 1.134 412 R CA 1.241 57.630 56.100 0.482 0.000 0.975 412 R CB -0.522 29.988 30.300 0.349 0.000 0.865 412 R HN 0.660 nan 8.270 nan 0.000 0.447 413 Y N 1.051 121.448 120.300 0.161 0.000 2.163 413 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 413 Y C 2.095 178.022 175.900 0.045 0.000 1.136 413 Y CA 2.103 60.247 58.100 0.073 0.000 1.147 413 Y CB -0.192 38.296 38.460 0.046 0.000 0.987 413 Y HN 0.168 nan 8.280 nan 0.000 0.509 414 E N -1.400 118.876 120.200 0.127 0.000 2.150 414 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 414 E C 2.011 178.532 176.600 -0.131 0.000 0.985 414 E CA 1.029 57.420 56.400 -0.016 0.000 0.814 414 E CB -0.484 29.283 29.700 0.111 0.000 0.752 414 E HN 0.609 nan 8.360 nan 0.000 0.466 415 Y N 1.756 121.928 120.300 -0.214 0.000 2.181 415 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 415 Y C 1.583 177.244 175.900 -0.398 0.000 1.146 415 Y CA 2.037 59.843 58.100 -0.490 0.000 1.164 415 Y CB -0.182 37.905 38.460 -0.622 0.000 0.982 415 Y HN 0.072 nan 8.280 nan 0.000 0.515 416 D N -0.018 120.206 120.400 -0.293 0.000 2.144 416 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 416 D C 2.032 178.077 176.300 -0.424 0.000 0.984 416 D CA 1.492 55.265 54.000 -0.378 0.000 0.834 416 D CB -0.413 40.271 40.800 -0.193 0.000 0.955 416 D HN 0.538 nan 8.370 nan 0.000 0.465 417 Q N -0.082 119.468 119.800 -0.417 0.000 2.297 417 Q HA -0.105 4.235 4.340 -0.000 0.000 0.208 417 Q C 2.282 178.163 176.000 -0.198 0.000 0.981 417 Q CA 0.448 56.117 55.803 -0.223 0.000 0.876 417 Q CB -0.041 28.632 28.738 -0.108 0.000 0.921 417 Q HN 0.368 nan 8.270 nan 0.000 0.446 418 L N -0.054 120.907 121.223 -0.438 0.000 2.093 418 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 418 L C 2.561 179.124 176.870 -0.512 0.000 1.085 418 L CA 1.168 55.681 54.840 -0.546 0.000 0.755 418 L CB -0.225 41.383 42.059 -0.751 0.000 0.904 418 L HN 0.178 nan 8.230 nan 0.000 0.435 419 R N 0.352 120.568 120.500 -0.472 0.000 2.193 419 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 419 R C 0.918 177.141 176.300 -0.128 0.000 1.055 419 R CA 0.469 56.387 56.100 -0.303 0.000 0.995 419 R CB 0.035 30.152 30.300 -0.306 0.000 0.893 419 R HN 0.247 nan 8.270 nan 0.000 0.459 420 A N 2.871 125.619 122.820 -0.120 0.000 2.546 420 A HA 0.176 4.496 4.320 -0.000 0.000 0.243 420 A C -2.156 175.497 177.584 0.114 0.000 1.063 420 A CA -1.053 50.988 52.037 0.007 0.000 0.757 420 A CB -0.018 19.034 19.000 0.086 0.000 0.991 420 A HN 0.224 nan 8.150 nan 0.000 0.503 421 P HA 0.341 nan 4.420 nan 0.000 0.276 421 P C -0.796 176.495 177.300 -0.015 0.000 1.261 421 P CA -0.303 62.700 63.100 -0.161 0.000 0.800 421 P CB 0.924 32.139 31.700 -0.808 0.000 1.066 422 V N 0.956 120.804 119.914 -0.109 0.000 2.357 422 V HA 0.464 4.584 4.120 -0.000 0.000 0.281 422 V C 1.062 177.067 176.094 -0.149 0.000 1.015 422 V CA 0.534 62.796 62.300 -0.064 0.000 0.827 422 V CB 0.180 31.906 31.823 -0.162 0.000 1.018 422 V HN 1.073 nan 8.190 nan 0.000 0.432 423 G N 5.889 114.672 108.800 -0.029 0.000 2.629 423 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.313 423 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.313 423 G C 0.794 175.691 174.900 -0.005 0.000 1.217 423 G CA 0.911 46.032 45.100 0.036 0.000 0.994 423 G HN 0.639 nan 8.290 nan 0.000 0.549 424 R N -0.200 120.346 120.500 0.077 0.000 2.320 424 R HA 0.351 4.691 4.340 -0.000 0.000 0.211 424 R C 0.197 176.606 176.300 0.182 0.000 0.931 424 R CA 0.209 56.456 56.100 0.246 0.000 1.071 424 R CB 0.368 30.746 30.300 0.130 0.000 1.025 424 R HN 0.242 nan 8.270 nan 0.000 0.495 425 V N 1.781 121.588 119.914 -0.177 0.000 2.364 425 V HA 0.195 4.315 4.120 -0.000 0.000 0.272 425 V C -0.545 175.247 176.094 -0.503 0.000 1.036 425 V CA -0.534 61.575 62.300 -0.319 0.000 0.880 425 V CB 0.281 31.773 31.823 -0.551 0.000 0.991 425 V HN 0.044 nan 8.190 nan 0.000 0.460 426 Y N 4.185 124.233 120.300 -0.420 0.000 2.496 426 Y HA 0.736 5.285 4.550 -0.000 0.000 0.331 426 Y C -0.226 175.300 175.900 -0.623 0.000 1.140 426 Y CA -0.886 57.002 58.100 -0.354 0.000 1.166 426 Y CB 1.721 40.073 38.460 -0.180 0.000 1.249 426 Y HN 0.493 nan 8.280 nan 0.000 0.479 427 F N -0.084 119.889 119.950 0.038 0.000 2.563 427 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 427 F C 0.209 175.969 175.800 -0.066 0.000 1.076 427 F CA -0.684 57.301 58.000 -0.026 0.000 0.921 427 F CB 2.405 41.350 39.000 -0.093 0.000 1.209 427 F HN 0.331 nan 8.300 nan 0.000 0.462 428 T N 0.244 114.858 114.554 0.100 0.000 2.787 428 T HA 0.820 5.170 4.350 -0.000 0.000 0.297 428 T C -0.744 173.877 174.700 -0.132 0.000 1.221 428 T CA -0.005 62.069 62.100 -0.043 0.000 1.006 428 T CB 1.670 70.518 68.868 -0.034 0.000 1.328 428 T HN 1.405 nan 8.240 nan 0.000 0.509 429 G N 1.218 109.913 108.800 -0.175 0.000 2.357 429 G HA2 0.146 4.106 3.960 -0.000 0.000 0.643 429 G HA3 0.146 4.106 3.960 -0.000 0.000 0.643 429 G C 0.194 174.968 174.900 -0.210 0.000 1.358 429 G CA 0.696 45.709 45.100 -0.146 0.000 0.986 429 G HN 0.974 nan 8.290 nan 0.000 0.620 430 E N -0.476 119.745 120.200 0.035 0.000 2.171 430 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 430 E C 1.697 178.358 176.600 0.102 0.000 0.997 430 E CA 2.631 59.090 56.400 0.100 0.000 0.810 430 E CB -0.755 29.035 29.700 0.150 0.000 0.738 430 E HN 1.062 nan 8.360 nan 0.000 0.467 431 H N -0.653 118.460 119.070 0.072 0.000 2.563 431 H HA 0.142 4.698 4.556 -0.000 0.000 0.272 431 H C 1.290 176.531 175.328 -0.145 0.000 1.005 431 H CA 1.175 57.233 56.048 0.016 0.000 1.171 431 H CB -0.242 29.495 29.762 -0.042 0.000 1.351 431 H HN 0.346 nan 8.280 nan 0.000 0.602 432 T N -2.796 111.489 114.554 -0.450 0.000 3.054 432 T HA 0.087 4.437 4.350 -0.000 0.000 0.255 432 T C 0.875 175.483 174.700 -0.153 0.000 1.035 432 T CA -0.129 61.719 62.100 -0.420 0.000 0.941 432 T CB -0.077 68.555 68.868 -0.394 0.000 1.026 432 T HN 0.252 nan 8.240 nan 0.000 0.533 433 S N 1.466 117.187 115.700 0.034 0.000 2.498 433 S HA 0.118 4.588 4.470 -0.000 0.000 0.281 433 S C 1.335 176.046 174.600 0.185 0.000 1.265 433 S CA -0.299 57.984 58.200 0.139 0.000 1.071 433 S CB 0.920 64.258 63.200 0.230 0.000 0.894 433 S HN 0.477 nan 8.310 nan 0.000 0.491 434 E N 3.574 123.799 120.200 0.042 0.000 2.070 434 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 434 E C 0.912 177.229 176.600 -0.471 0.000 1.004 434 E CA 1.977 58.285 56.400 -0.154 0.000 0.805 434 E CB 0.008 29.501 29.700 -0.344 0.000 0.744 434 E HN 0.878 nan 8.360 nan 0.000 0.451 435 H N -2.652 116.309 119.070 -0.181 0.000 3.233 435 H HA 0.165 4.721 4.556 -0.000 0.000 0.263 435 H C -0.252 174.735 175.328 -0.569 0.000 1.168 435 H CA 0.051 55.824 56.048 -0.458 0.000 1.159 435 H CB 0.359 29.623 29.762 -0.831 0.000 1.593 435 H HN 0.210 nan 8.280 nan 0.000 0.580 436 Y N 1.806 122.283 120.300 0.296 0.000 2.672 436 Y HA 0.091 4.640 4.550 -0.000 0.000 0.272 436 Y C 0.832 176.921 175.900 0.314 0.000 1.055 436 Y CA -1.011 57.285 58.100 0.328 0.000 1.151 436 Y CB 0.260 38.937 38.460 0.362 0.000 1.190 436 Y HN 0.130 nan 8.280 nan 0.000 0.574 437 N N 0.807 119.713 118.700 0.342 0.000 2.374 437 N HA 0.100 4.840 4.740 -0.000 0.000 0.241 437 N C 1.186 176.816 175.510 0.201 0.000 1.262 437 N CA 1.589 54.820 53.050 0.302 0.000 0.880 437 N CB 1.308 40.006 38.487 0.353 0.000 1.105 437 N HN 0.605 nan 8.380 nan 0.000 0.438 438 G N 0.457 109.314 108.800 0.094 0.000 2.454 438 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.225 438 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.225 438 G C -0.371 174.258 174.900 -0.453 0.000 1.138 438 G CA 0.370 45.354 45.100 -0.193 0.000 0.667 438 G HN 0.674 nan 8.290 nan 0.000 0.512 439 Y N 0.299 120.495 120.300 -0.175 0.000 2.316 439 Y HA 0.489 5.039 4.550 -0.000 0.000 0.324 439 Y C 1.925 177.668 175.900 -0.261 0.000 1.267 439 Y CA -0.185 57.708 58.100 -0.346 0.000 1.311 439 Y CB 1.194 39.150 38.460 -0.840 0.000 1.267 439 Y HN -0.034 nan 8.280 nan 0.000 0.516 440 V N 1.624 121.531 119.914 -0.012 0.000 2.287 440 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 440 V C 2.354 178.508 176.094 0.100 0.000 1.053 440 V CA 2.490 64.799 62.300 0.015 0.000 1.027 440 V CB -0.855 30.954 31.823 -0.022 0.000 0.646 440 V HN 0.953 nan 8.190 nan 0.000 0.447 441 H N -0.149 119.012 119.070 0.152 0.000 2.456 441 H HA -0.038 4.518 4.556 -0.000 0.000 0.296 441 H C 2.315 177.780 175.328 0.228 0.000 1.079 441 H CA 1.568 57.683 56.048 0.111 0.000 1.322 441 H CB -0.663 29.041 29.762 -0.097 0.000 1.388 441 H HN 0.430 nan 8.280 nan 0.000 0.538 442 G N 0.864 109.723 108.800 0.098 0.000 2.403 442 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 442 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 442 G C 2.025 177.046 174.900 0.201 0.000 1.154 442 G CA 1.087 46.348 45.100 0.268 0.000 0.784 442 G HN 0.607 nan 8.290 nan 0.000 0.538 443 A N 0.164 123.074 122.820 0.149 0.000 1.902 443 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 443 A C 2.169 179.837 177.584 0.140 0.000 1.181 443 A CA 1.712 53.821 52.037 0.120 0.000 0.623 443 A CB -0.721 18.345 19.000 0.109 0.000 0.818 443 A HN 0.473 nan 8.150 nan 0.000 0.443 444 Y N 0.555 120.901 120.300 0.076 0.000 2.097 444 Y HA -0.192 4.358 4.550 -0.000 0.000 0.282 444 Y C 1.967 177.916 175.900 0.083 0.000 1.152 444 Y CA 2.075 60.221 58.100 0.077 0.000 1.136 444 Y CB -0.377 38.136 38.460 0.088 0.000 0.975 444 Y HN 0.201 nan 8.280 nan 0.000 0.498 445 L N 0.019 121.298 121.223 0.093 0.000 2.141 445 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 445 L C 2.743 179.600 176.870 -0.022 0.000 1.094 445 L CA 1.428 56.273 54.840 0.008 0.000 0.763 445 L CB -0.844 41.376 42.059 0.269 0.000 0.908 445 L HN 0.421 nan 8.230 nan 0.000 0.437 446 S N -0.087 115.628 115.700 0.025 0.000 2.382 446 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 446 S C 2.099 176.657 174.600 -0.070 0.000 1.027 446 S CA 1.024 59.217 58.200 -0.013 0.000 0.991 446 S CB -0.951 62.238 63.200 -0.019 0.000 0.823 446 S HN 0.421 nan 8.310 nan 0.000 0.469 447 G N 1.762 110.501 108.800 -0.102 0.000 2.418 447 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 447 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 447 G C 1.426 176.229 174.900 -0.162 0.000 1.158 447 G CA 0.990 46.014 45.100 -0.126 0.000 0.771 447 G HN 0.573 nan 8.290 nan 0.000 0.545 448 I N 0.849 121.291 120.570 -0.213 0.000 2.202 448 I HA -0.096 4.074 4.170 -0.000 0.000 0.242 448 I C 2.304 178.350 176.117 -0.118 0.000 1.091 448 I CA 1.111 62.298 61.300 -0.189 0.000 1.368 448 I CB -0.131 37.735 38.000 -0.223 0.000 1.058 448 I HN 0.035 nan 8.210 nan 0.000 0.410 449 D N 0.506 120.857 120.400 -0.082 0.000 2.097 449 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 449 D C 2.393 178.660 176.300 -0.056 0.000 0.989 449 D CA 1.394 55.365 54.000 -0.047 0.000 0.827 449 D CB -0.284 40.507 40.800 -0.015 0.000 0.966 449 D HN 0.162 nan 8.370 nan 0.000 0.456 450 S N 0.696 116.360 115.700 -0.060 0.000 2.359 450 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 450 S C 2.137 176.674 174.600 -0.104 0.000 1.035 450 S CA 1.302 59.476 58.200 -0.043 0.000 1.018 450 S CB -0.311 62.868 63.200 -0.035 0.000 0.876 450 S HN 0.384 nan 8.310 nan 0.000 0.448 451 A N 1.507 124.241 122.820 -0.142 0.000 1.908 451 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 451 A C 1.999 179.466 177.584 -0.195 0.000 1.181 451 A CA 1.548 53.466 52.037 -0.198 0.000 0.627 451 A CB -0.563 18.325 19.000 -0.187 0.000 0.818 451 A HN 0.575 nan 8.150 nan 0.000 0.445 452 E N -0.497 119.620 120.200 -0.138 0.000 2.150 452 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 452 E C 1.829 178.364 176.600 -0.109 0.000 0.985 452 E CA 1.061 57.392 56.400 -0.115 0.000 0.814 452 E CB -0.280 29.375 29.700 -0.076 0.000 0.752 452 E HN 0.718 nan 8.360 nan 0.000 0.466 453 I N 0.833 121.353 120.570 -0.083 0.000 2.226 453 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 453 I C 2.392 178.443 176.117 -0.111 0.000 1.100 453 I CA 0.510 61.792 61.300 -0.030 0.000 1.374 453 I CB -0.142 37.900 38.000 0.070 0.000 1.057 453 I HN 0.145 nan 8.210 nan 0.000 0.413 454 L N 1.028 122.037 121.223 -0.357 0.000 2.046 454 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 454 L C 2.298 178.868 176.870 -0.499 0.000 1.077 454 L CA 1.846 56.218 54.840 -0.781 0.000 0.747 454 L CB -0.592 40.819 42.059 -1.081 0.000 0.896 454 L HN 0.140 nan 8.230 nan 0.000 0.432 455 I N 0.022 120.390 120.570 -0.337 0.000 2.127 455 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 455 I C 2.152 178.174 176.117 -0.159 0.000 1.075 455 I CA 1.508 62.668 61.300 -0.232 0.000 1.334 455 I CB -0.563 37.336 38.000 -0.168 0.000 1.040 455 I HN 0.374 nan 8.210 nan 0.000 0.405 456 N N 0.042 118.671 118.700 -0.118 0.000 2.166 456 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 456 N C 1.887 177.367 175.510 -0.050 0.000 1.019 456 N CA 1.426 54.436 53.050 -0.066 0.000 0.856 456 N CB -0.805 37.658 38.487 -0.040 0.000 0.993 456 N HN 0.450 nan 8.380 nan 0.000 0.426 457 c N 0.916 119.481 118.600 -0.059 0.000 2.473 457 c HA 0.129 4.699 4.570 -0.000 0.000 0.279 457 c C 2.836 176.915 174.090 -0.018 0.000 1.250 457 c CA 1.171 57.499 56.329 -0.003 0.000 1.713 457 c CB -1.156 41.397 42.510 0.071 0.000 2.066 457 c HN 0.469 nan 8.230 nan 0.000 0.474 458 A N -0.418 122.323 122.820 -0.132 0.000 1.858 458 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 458 A C 2.121 179.692 177.584 -0.021 0.000 1.190 458 A CA 1.915 53.908 52.037 -0.074 0.000 0.617 458 A CB -0.774 18.037 19.000 -0.315 0.000 0.827 458 A HN 0.830 nan 8.150 nan 0.000 0.443 459 Q N -0.777 118.984 119.800 -0.066 0.000 2.096 459 Q HA -0.028 4.312 4.340 -0.000 0.000 0.197 459 Q C 1.353 177.342 176.000 -0.017 0.000 0.964 459 Q CA 1.316 57.097 55.803 -0.036 0.000 0.838 459 Q CB -0.039 28.667 28.738 -0.054 0.000 0.906 459 Q HN 0.616 nan 8.270 nan 0.000 0.444 460 K N 0.276 120.664 120.400 -0.020 0.000 2.358 460 K HA 0.091 4.411 4.320 -0.000 0.000 0.197 460 K C -0.381 176.222 176.600 0.005 0.000 1.025 460 K CA -0.089 56.193 56.287 -0.008 0.000 1.104 460 K CB 0.730 33.223 32.500 -0.013 0.000 0.855 460 K HN -0.093 nan 8.250 nan 0.000 0.531 461 K N 0.501 120.910 120.400 0.015 0.000 3.077 461 K HA -0.196 4.124 4.320 -0.000 0.000 0.264 461 K C -0.532 176.082 176.600 0.025 0.000 1.008 461 K CA 1.180 57.485 56.287 0.030 0.000 0.740 461 K CB -2.046 30.474 32.500 0.033 0.000 1.273 461 K HN 0.372 nan 8.250 nan 0.000 0.477 462 M N 0.470 120.081 119.600 0.017 0.000 1.999 462 M HA 0.181 4.661 4.480 -0.000 0.000 0.299 462 M C -0.112 176.202 176.300 0.023 0.000 0.900 462 M CA -0.458 54.852 55.300 0.016 0.000 0.904 462 M CB 1.219 33.822 32.600 0.006 0.000 1.477 462 M HN 0.114 nan 8.290 nan 0.000 0.403 463 c N 0.000 118.622 118.600 0.036 0.000 2.653 463 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 463 c CA 0.000 56.360 56.329 0.051 0.000 1.963 463 c CB 0.000 42.554 42.510 0.074 0.000 2.134 463 c HN 0.000 nan 8.230 nan 0.000 0.568