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 2v5a_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 L N 2.814 124.041 121.223 0.006 0.000 2.453 2 L HA 0.181 4.521 4.340 0.001 0.000 0.272 2 L C 0.742 177.622 176.870 0.017 0.000 1.182 2 L CA 0.099 54.946 54.840 0.013 0.000 0.858 2 L CB 0.326 42.393 42.059 0.014 0.000 1.120 2 L HN 0.852 nan 8.230 nan 0.000 0.474 3 D N 1.900 122.313 120.400 0.022 0.000 2.120 3 D HA -0.044 4.597 4.640 0.001 0.000 0.202 3 D C 0.435 176.750 176.300 0.026 0.000 0.972 3 D CA 1.165 55.178 54.000 0.022 0.000 0.837 3 D CB 0.449 41.263 40.800 0.022 0.000 0.989 3 D HN 0.438 nan 8.370 nan 0.000 0.469 4 K N -0.091 120.330 120.400 0.036 0.000 2.550 4 K HA 0.379 4.700 4.320 0.001 0.000 0.252 4 K C -1.552 175.075 176.600 0.046 0.000 0.943 4 K CA -0.794 55.516 56.287 0.039 0.000 0.806 4 K CB 1.361 33.888 32.500 0.044 0.000 1.289 4 K HN 0.203 nan 8.250 nan 0.000 0.435 5 I N 0.461 121.051 120.570 0.033 0.000 2.785 5 I HA 0.546 4.717 4.170 0.001 0.000 0.302 5 I C -1.071 175.053 176.117 0.013 0.000 1.069 5 I CA -1.070 60.246 61.300 0.026 0.000 1.045 5 I CB 2.153 40.170 38.000 0.028 0.000 1.236 5 I HN 0.181 nan 8.210 nan 0.000 0.429 6 V N 6.036 125.943 119.914 -0.012 0.000 2.432 6 V HA 0.319 4.439 4.120 0.001 0.000 0.275 6 V C 0.360 176.460 176.094 0.009 0.000 1.043 6 V CA -0.302 61.990 62.300 -0.014 0.000 0.925 6 V CB 1.253 33.039 31.823 -0.062 0.000 0.985 6 V HN 0.517 nan 8.190 nan 0.000 0.466 7 I N 4.877 125.454 120.570 0.013 0.000 2.256 7 I HA 0.290 4.461 4.170 0.001 0.000 0.294 7 I C 0.965 177.068 176.117 -0.024 0.000 1.127 7 I CA -0.082 61.203 61.300 -0.025 0.000 1.247 7 I CB 0.869 38.830 38.000 -0.066 0.000 1.460 7 I HN 0.676 nan 8.210 nan 0.000 0.511 8 A N 6.130 128.943 122.820 -0.011 0.000 3.063 8 A HA 0.311 4.631 4.320 0.001 0.000 0.263 8 A C 0.190 177.692 177.584 -0.136 0.000 1.736 8 A CA 0.109 52.133 52.037 -0.021 0.000 1.408 8 A CB -0.578 18.456 19.000 0.057 0.000 1.108 8 A HN 0.785 nan 8.150 nan 0.000 0.621 9 N N 0.025 118.590 118.700 -0.226 0.000 3.395 9 N HA 0.381 5.121 4.740 0.001 0.000 0.293 9 N C -0.969 174.205 175.510 -0.560 0.000 1.489 9 N CA -0.338 52.423 53.050 -0.482 0.000 0.871 9 N CB 1.162 39.431 38.487 -0.364 0.000 1.649 9 N HN 0.663 nan 8.380 nan 0.000 0.501 10 R N -0.859 119.248 120.500 -0.656 0.000 2.870 10 R HA 0.741 5.081 4.340 0.001 0.000 0.262 10 R C 0.498 176.475 176.300 -0.539 0.000 1.112 10 R CA -0.060 55.689 56.100 -0.585 0.000 0.976 10 R CB 0.101 29.878 30.300 -0.870 0.000 1.261 10 R HN 0.724 nan 8.270 nan 0.000 0.453 11 G N 0.837 109.291 108.800 -0.578 0.000 2.552 11 G HA2 -0.426 3.534 3.960 0.001 0.000 0.265 11 G HA3 -0.426 3.534 3.960 0.001 0.000 0.265 11 G C 0.579 175.128 174.900 -0.585 0.000 1.234 11 G CA 0.898 45.480 45.100 -0.864 0.000 0.944 11 G HN 0.990 nan 8.290 nan 0.000 0.568 12 E N -0.409 119.667 120.200 -0.206 0.000 2.150 12 E HA 0.092 4.442 4.350 0.001 0.000 0.193 12 E C 2.453 178.974 176.600 -0.133 0.000 0.985 12 E CA 1.924 58.312 56.400 -0.021 0.000 0.814 12 E CB -0.102 29.624 29.700 0.043 0.000 0.752 12 E HN 0.777 nan 8.360 nan 0.000 0.466 13 I N 0.840 121.284 120.570 -0.209 0.000 2.439 13 I HA 0.010 4.181 4.170 0.001 0.000 0.251 13 I C 2.194 178.080 176.117 -0.386 0.000 1.139 13 I CA 1.154 62.287 61.300 -0.278 0.000 1.438 13 I CB -0.560 37.090 38.000 -0.584 0.000 1.085 13 I HN 0.219 nan 8.210 nan 0.000 0.427 14 A N 0.063 122.574 122.820 -0.516 0.000 1.933 14 A HA -0.187 4.133 4.320 0.001 0.000 0.218 14 A C 2.219 179.474 177.584 -0.549 0.000 1.175 14 A CA 1.884 53.492 52.037 -0.715 0.000 0.628 14 A CB -1.044 17.179 19.000 -1.296 0.000 0.814 14 A HN 0.477 nan 8.150 nan 0.000 0.444 15 L N -0.359 120.651 121.223 -0.355 0.000 2.056 15 L HA -0.064 4.276 4.340 0.001 0.000 0.207 15 L C 2.386 179.197 176.870 -0.098 0.000 1.078 15 L CA 2.320 57.089 54.840 -0.119 0.000 0.749 15 L CB -0.630 41.408 42.059 -0.035 0.000 0.901 15 L HN 0.407 nan 8.230 nan 0.000 0.433 16 R N 0.162 120.593 120.500 -0.115 0.000 2.096 16 R HA -0.172 4.168 4.340 0.001 0.000 0.240 16 R C 2.133 178.372 176.300 -0.101 0.000 1.139 16 R CA 2.353 58.414 56.100 -0.065 0.000 0.952 16 R CB -0.847 29.450 30.300 -0.005 0.000 0.854 16 R HN 0.517 nan 8.270 nan 0.000 0.436 17 I N 0.190 120.640 120.570 -0.201 0.000 2.252 17 I HA -0.230 3.940 4.170 0.001 0.000 0.245 17 I C 2.325 178.365 176.117 -0.128 0.000 1.102 17 I CA 1.050 62.207 61.300 -0.237 0.000 1.385 17 I CB -0.318 37.424 38.000 -0.429 0.000 1.064 17 I HN 0.233 nan 8.210 nan 0.000 0.414 18 L N 0.924 122.085 121.223 -0.103 0.000 1.990 18 L HA -0.271 4.070 4.340 0.001 0.000 0.213 18 L C 2.807 179.667 176.870 -0.015 0.000 1.072 18 L CA 1.790 56.613 54.840 -0.028 0.000 0.755 18 L CB -0.311 41.764 42.059 0.026 0.000 0.889 18 L HN 0.090 nan 8.230 nan 0.000 0.432 19 R N -0.435 120.055 120.500 -0.016 0.000 2.091 19 R HA -0.165 4.175 4.340 0.001 0.000 0.238 19 R C 2.324 178.622 176.300 -0.003 0.000 1.136 19 R CA 1.381 57.479 56.100 -0.003 0.000 0.959 19 R CB -0.636 29.666 30.300 0.004 0.000 0.856 19 R HN 0.586 nan 8.270 nan 0.000 0.437 20 A N 0.465 123.277 122.820 -0.013 0.000 1.933 20 A HA -0.180 4.141 4.320 0.001 0.000 0.218 20 A C 2.386 179.968 177.584 -0.003 0.000 1.175 20 A CA 1.421 53.454 52.037 -0.007 0.000 0.628 20 A CB -0.782 18.209 19.000 -0.014 0.000 0.814 20 A HN 0.453 nan 8.150 nan 0.000 0.444 21 C N -0.456 118.839 119.300 -0.007 0.000 2.436 21 C HA -0.095 4.365 4.460 0.001 0.000 0.277 21 C C 2.724 177.717 174.990 0.005 0.000 1.241 21 C CA 1.325 60.344 59.018 0.001 0.000 1.721 21 C CB -1.017 26.724 27.740 0.001 0.000 2.043 21 C HN 0.610 nan 8.230 nan 0.000 0.472 22 K N 0.633 121.036 120.400 0.005 0.000 2.103 22 K HA -0.183 4.138 4.320 0.001 0.000 0.207 22 K C 1.853 178.458 176.600 0.007 0.000 1.048 22 K CA 1.429 57.720 56.287 0.007 0.000 0.930 22 K CB -0.304 32.201 32.500 0.008 0.000 0.716 22 K HN 0.621 nan 8.250 nan 0.000 0.444 23 E N 0.709 120.913 120.200 0.007 0.000 2.110 23 E HA -0.140 4.210 4.350 0.001 0.000 0.193 23 E C 1.731 178.335 176.600 0.007 0.000 0.988 23 E CA 0.867 57.272 56.400 0.008 0.000 0.804 23 E CB 0.010 29.715 29.700 0.009 0.000 0.745 23 E HN 0.256 nan 8.360 nan 0.000 0.458 24 L N -0.595 120.632 121.223 0.007 0.000 2.591 24 L HA 0.158 4.498 4.340 0.001 0.000 0.228 24 L C 1.205 178.079 176.870 0.006 0.000 1.133 24 L CA 0.232 55.076 54.840 0.006 0.000 0.880 24 L CB 0.181 42.243 42.059 0.006 0.000 1.033 24 L HN 0.251 nan 8.230 nan 0.000 0.450 25 G N 1.280 110.085 108.800 0.007 0.000 2.176 25 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 25 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 25 G C 0.143 175.049 174.900 0.009 0.000 1.024 25 G CA -0.116 44.988 45.100 0.007 0.000 0.755 25 G HN 0.315 nan 8.290 nan 0.000 0.507 26 I N 0.439 121.015 120.570 0.010 0.000 2.371 26 I HA 0.246 4.417 4.170 0.001 0.000 0.290 26 I C 0.908 177.034 176.117 0.014 0.000 1.028 26 I CA -0.534 60.773 61.300 0.013 0.000 1.345 26 I CB 0.946 38.954 38.000 0.014 0.000 1.407 26 I HN -0.003 nan 8.210 nan 0.000 0.501 27 K N 4.211 124.621 120.400 0.016 0.000 2.382 27 K HA 0.220 4.541 4.320 0.001 0.000 0.275 27 K C 0.116 176.728 176.600 0.020 0.000 1.009 27 K CA -0.168 56.130 56.287 0.017 0.000 0.970 27 K CB 0.574 33.085 32.500 0.019 0.000 0.934 27 K HN 0.676 nan 8.250 nan 0.000 0.479 28 T N -1.666 112.900 114.554 0.020 0.000 2.855 28 T HA 0.486 4.836 4.350 0.001 0.000 0.281 28 T C -0.350 174.367 174.700 0.027 0.000 1.007 28 T CA -0.964 61.151 62.100 0.025 0.000 1.009 28 T CB 1.199 70.086 68.868 0.031 0.000 0.983 28 T HN 0.137 nan 8.240 nan 0.000 0.455 29 V N 2.217 122.150 119.914 0.031 0.000 2.378 29 V HA 0.698 4.819 4.120 0.001 0.000 0.288 29 V C 0.293 176.418 176.094 0.052 0.000 1.016 29 V CA -1.053 61.265 62.300 0.030 0.000 0.840 29 V CB 1.164 32.997 31.823 0.016 0.000 0.994 29 V HN 1.242 nan 8.190 nan 0.000 0.431 30 A N 5.357 128.214 122.820 0.062 0.000 2.294 30 A HA 0.682 5.003 4.320 0.001 0.000 0.316 30 A C -0.073 177.587 177.584 0.127 0.000 1.359 30 A CA -0.476 51.626 52.037 0.109 0.000 0.956 30 A CB 0.545 19.521 19.000 -0.040 0.000 1.155 30 A HN 1.190 nan 8.150 nan 0.000 0.544 31 V N 2.285 122.263 119.914 0.106 0.000 2.498 31 V HA 0.737 4.858 4.120 0.001 0.000 0.279 31 V C -0.293 175.857 176.094 0.093 0.000 1.048 31 V CA -0.234 62.074 62.300 0.014 0.000 0.967 31 V CB -0.041 31.750 31.823 -0.052 0.000 0.988 31 V HN 1.047 nan 8.190 nan 0.000 0.473 32 H N 1.667 120.688 119.070 -0.081 0.000 2.980 32 H HA 0.810 5.367 4.556 0.001 0.000 0.367 32 H C -0.081 175.076 175.328 -0.285 0.000 1.206 32 H CA -0.202 55.795 56.048 -0.086 0.000 1.126 32 H CB 1.199 30.969 29.762 0.014 0.000 1.838 32 H HN 0.876 nan 8.280 nan 0.000 0.552 33 S N 0.738 116.279 115.700 -0.265 0.000 2.624 33 S HA 0.108 4.578 4.470 0.001 0.000 0.263 33 S C 0.696 175.356 174.600 0.099 0.000 1.287 33 S CA -0.110 57.975 58.200 -0.190 0.000 0.990 33 S CB 1.084 64.233 63.200 -0.086 0.000 0.950 33 S HN 0.680 nan 8.310 nan 0.000 0.561 34 S N 0.949 116.661 115.700 0.020 0.000 2.440 34 S HA -0.053 4.417 4.470 0.001 0.000 0.238 34 S C 1.936 176.611 174.600 0.125 0.000 1.010 34 S CA 1.024 59.271 58.200 0.079 0.000 0.972 34 S CB -0.804 62.397 63.200 0.002 0.000 0.774 34 S HN 0.897 nan 8.310 nan 0.000 0.501 35 A N 0.825 123.727 122.820 0.137 0.000 2.123 35 A HA 0.052 4.373 4.320 0.001 0.000 0.214 35 A C 1.175 178.930 177.584 0.285 0.000 1.152 35 A CA 0.725 52.889 52.037 0.213 0.000 0.728 35 A CB 0.023 19.166 19.000 0.239 0.000 0.814 35 A HN 0.235 nan 8.150 nan 0.000 0.464 36 D N -1.135 119.438 120.400 0.288 0.000 2.424 36 D HA 0.113 4.753 4.640 0.001 0.000 0.220 36 D C 1.489 177.822 176.300 0.054 0.000 1.150 36 D CA -0.073 54.077 54.000 0.251 0.000 0.831 36 D CB 0.061 41.038 40.800 0.296 0.000 0.981 36 D HN 0.450 nan 8.370 nan 0.000 0.500 37 R N 0.667 121.164 120.500 -0.005 0.000 2.159 37 R HA -0.105 4.236 4.340 0.001 0.000 0.237 37 R C 0.313 176.524 176.300 -0.148 0.000 1.131 37 R CA 1.264 57.211 56.100 -0.256 0.000 0.982 37 R CB 0.273 30.547 30.300 -0.042 0.000 0.868 37 R HN -0.068 nan 8.270 nan 0.000 0.453 38 D N 0.130 120.564 120.400 0.057 0.000 2.368 38 D HA 0.072 4.713 4.640 0.001 0.000 0.218 38 D C -0.051 176.406 176.300 0.263 0.000 1.112 38 D CA -0.036 54.070 54.000 0.178 0.000 0.834 38 D CB 0.230 41.208 40.800 0.297 0.000 0.953 38 D HN 0.221 nan 8.370 nan 0.000 0.505 39 L N 1.293 122.600 121.223 0.139 0.000 2.514 39 L HA -0.017 4.324 4.340 0.001 0.000 0.280 39 L C 2.055 178.936 176.870 0.020 0.000 1.223 39 L CA 0.132 55.020 54.840 0.080 0.000 0.864 39 L CB 1.033 43.116 42.059 0.040 0.000 1.118 39 L HN -0.162 nan 8.230 nan 0.000 0.494 40 K N 2.098 122.543 120.400 0.075 0.000 2.063 40 K HA -0.231 4.089 4.320 0.001 0.000 0.208 40 K C 1.999 178.595 176.600 -0.006 0.000 1.048 40 K CA 1.886 58.194 56.287 0.035 0.000 0.928 40 K CB -0.090 32.458 32.500 0.080 0.000 0.713 40 K HN 0.810 nan 8.250 nan 0.000 0.442 41 H N -0.450 118.592 119.070 -0.047 0.000 2.395 41 H HA -0.035 4.521 4.556 0.001 0.000 0.299 41 H C 1.926 177.224 175.328 -0.051 0.000 1.070 41 H CA 1.131 57.146 56.048 -0.056 0.000 1.356 41 H CB -0.564 29.150 29.762 -0.080 0.000 1.401 41 H HN -0.036 nan 8.280 nan 0.000 0.524 42 V N 2.046 121.442 119.914 -0.862 0.000 2.332 42 V HA -0.252 3.868 4.120 0.001 0.000 0.248 42 V C 3.052 178.982 176.094 -0.274 0.000 1.055 42 V CA 1.728 63.676 62.300 -0.586 0.000 1.038 42 V CB -0.637 30.864 31.823 -0.537 0.000 0.651 42 V HN 0.307 nan 8.190 nan 0.000 0.450 43 L N -0.991 120.111 121.223 -0.202 0.000 2.465 43 L HA -0.054 4.287 4.340 0.001 0.000 0.224 43 L C 2.010 178.824 176.870 -0.093 0.000 1.145 43 L CA 0.977 55.742 54.840 -0.126 0.000 0.834 43 L CB -0.309 41.682 42.059 -0.115 0.000 0.944 43 L HN 0.328 nan 8.230 nan 0.000 0.451 44 L N -0.923 120.248 121.223 -0.086 0.000 2.556 44 L HA 0.273 4.614 4.340 0.001 0.000 0.226 44 L C 1.405 178.258 176.870 -0.030 0.000 1.089 44 L CA -0.402 54.412 54.840 -0.043 0.000 0.864 44 L CB -0.010 42.039 42.059 -0.016 0.000 1.067 44 L HN 0.087 nan 8.230 nan 0.000 0.477 45 A N 0.182 122.975 122.820 -0.045 0.000 2.406 45 A HA 0.008 4.329 4.320 0.001 0.000 0.243 45 A C 0.689 178.264 177.584 -0.015 0.000 1.082 45 A CA -0.115 51.911 52.037 -0.019 0.000 0.786 45 A CB 0.207 19.191 19.000 -0.026 0.000 1.029 45 A HN 0.165 nan 8.150 nan 0.000 0.495 46 D N 0.220 120.620 120.400 -0.000 0.000 2.149 46 D HA 0.001 4.641 4.640 0.001 0.000 0.201 46 D C 0.282 176.584 176.300 0.003 0.000 0.972 46 D CA 1.365 55.366 54.000 0.002 0.000 0.835 46 D CB 0.273 41.078 40.800 0.008 0.000 0.966 46 D HN 0.725 nan 8.370 nan 0.000 0.476 47 E N -0.652 119.552 120.200 0.007 0.000 2.340 47 E HA 0.396 4.746 4.350 0.001 0.000 0.273 47 E C -0.769 175.843 176.600 0.019 0.000 0.891 47 E CA -0.551 55.856 56.400 0.012 0.000 0.757 47 E CB 2.578 32.287 29.700 0.015 0.000 1.231 47 E HN -0.043 nan 8.360 nan 0.000 0.439 48 T N -1.654 112.919 114.554 0.031 0.000 2.893 48 T HA 0.672 5.022 4.350 0.001 0.000 0.293 48 T C -0.848 173.889 174.700 0.062 0.000 1.027 48 T CA -0.712 61.433 62.100 0.076 0.000 0.988 48 T CB 1.214 70.145 68.868 0.106 0.000 1.043 48 T HN 0.132 nan 8.240 nan 0.000 0.461 49 V N 1.981 121.906 119.914 0.019 0.000 2.569 49 V HA 0.423 4.544 4.120 0.001 0.000 0.301 49 V C 0.322 176.198 176.094 -0.363 0.000 1.044 49 V CA -1.229 61.010 62.300 -0.102 0.000 0.874 49 V CB 1.348 33.120 31.823 -0.084 0.000 1.002 49 V HN 1.285 nan 8.190 nan 0.000 0.424 50 C N 6.969 126.009 119.300 -0.434 0.000 2.555 50 C HA 0.441 4.902 4.460 0.001 0.000 0.385 50 C C 1.579 176.345 174.990 -0.373 0.000 1.296 50 C CA -0.244 58.389 59.018 -0.642 0.000 1.757 50 C CB -1.295 26.228 27.740 -0.362 0.000 2.445 50 C HN 0.893 nan 8.230 nan 0.000 0.571 51 I N 4.516 124.845 120.570 -0.402 0.000 3.904 51 I HA 0.553 4.724 4.170 0.001 0.000 0.333 51 I C 0.792 176.757 176.117 -0.253 0.000 1.361 51 I CA 0.402 61.531 61.300 -0.285 0.000 1.116 51 I CB -0.678 37.150 38.000 -0.287 0.000 1.028 51 I HN 0.854 nan 8.210 nan 0.000 0.398 52 G N 1.572 110.226 108.800 -0.244 0.000 2.361 52 G HA2 0.063 4.024 3.960 0.001 0.000 0.331 52 G HA3 0.063 4.024 3.960 0.001 0.000 0.331 52 G C -3.321 171.476 174.900 -0.170 0.000 1.324 52 G CA -0.856 44.136 45.100 -0.180 0.000 0.984 52 G HN -0.029 nan 8.290 nan 0.000 0.586 53 P HA 0.397 nan 4.420 nan 0.000 0.274 53 P C 1.313 178.517 177.300 -0.160 0.000 1.260 53 P CA 0.791 63.813 63.100 -0.130 0.000 0.793 53 P CB 0.514 32.147 31.700 -0.111 0.000 1.048 54 A N 0.983 123.650 122.820 -0.255 0.000 1.884 54 A HA -0.103 4.217 4.320 0.001 0.000 0.219 54 A C -1.079 176.364 177.584 -0.235 0.000 1.197 54 A CA 1.604 53.394 52.037 -0.411 0.000 0.637 54 A CB -2.736 15.488 19.000 -1.294 0.000 0.827 54 A HN 0.549 nan 8.150 nan 0.000 0.450 55 P HA 0.129 nan 4.420 nan 0.000 0.265 55 P C 0.590 177.953 177.300 0.104 0.000 1.193 55 P CA 0.467 63.548 63.100 -0.032 0.000 0.765 55 P CB 0.792 32.477 31.700 -0.025 0.000 0.823 56 S N 1.887 117.743 115.700 0.260 0.000 2.382 56 S HA -0.141 4.330 4.470 0.001 0.000 0.228 56 S C 1.889 176.606 174.600 0.195 0.000 1.027 56 S CA 1.088 59.518 58.200 0.385 0.000 0.991 56 S CB -0.736 62.818 63.200 0.589 0.000 0.823 56 S HN 0.447 nan 8.310 nan 0.000 0.469 57 V N 1.895 121.886 119.914 0.128 0.000 2.469 57 V HA -0.178 3.942 4.120 0.001 0.000 0.251 57 V C 1.802 177.907 176.094 0.018 0.000 1.064 57 V CA 1.685 64.025 62.300 0.067 0.000 1.066 57 V CB -0.337 31.515 31.823 0.048 0.000 0.667 57 V HN 0.323 nan 8.190 nan 0.000 0.461 58 K N 0.185 120.583 120.400 -0.004 0.000 2.361 58 K HA 0.137 4.458 4.320 0.001 0.000 0.196 58 K C 1.782 178.320 176.600 -0.103 0.000 1.039 58 K CA 1.118 57.375 56.287 -0.050 0.000 1.001 58 K CB 0.365 32.828 32.500 -0.061 0.000 0.795 58 K HN 0.759 nan 8.250 nan 0.000 0.495 59 S N -1.135 114.486 115.700 -0.132 0.000 3.884 59 S HA 0.050 4.520 4.470 0.001 0.000 0.174 59 S C 1.680 176.079 174.600 -0.334 0.000 0.872 59 S CA -0.304 57.711 58.200 -0.309 0.000 1.015 59 S CB -0.606 62.292 63.200 -0.503 0.000 1.395 59 S HN 0.032 nan 8.310 nan 0.000 0.737 60 Y N 2.230 122.428 120.300 -0.170 0.000 2.497 60 Y HA 0.356 4.907 4.550 0.001 0.000 0.292 60 Y C 1.758 177.507 175.900 -0.252 0.000 1.137 60 Y CA 0.506 58.379 58.100 -0.379 0.000 1.285 60 Y CB -0.444 37.483 38.460 -0.888 0.000 0.991 60 Y HN 0.243 nan 8.280 nan 0.000 0.556 61 L N -0.463 120.782 121.223 0.035 0.000 2.728 61 L HA 0.151 4.491 4.340 0.001 0.000 0.238 61 L C 0.446 177.289 176.870 -0.044 0.000 1.143 61 L CA -0.133 54.720 54.840 0.023 0.000 0.937 61 L CB 0.024 42.155 42.059 0.121 0.000 1.225 61 L HN -0.029 nan 8.230 nan 0.000 0.507 62 N N 1.392 120.049 118.700 -0.072 0.000 2.555 62 N HA 0.187 4.928 4.740 0.001 0.000 0.244 62 N C 0.967 176.448 175.510 -0.048 0.000 1.114 62 N CA 0.097 53.112 53.050 -0.058 0.000 0.963 62 N CB 0.547 38.988 38.487 -0.078 0.000 1.276 62 N HN 0.165 nan 8.380 nan 0.000 0.510 63 I N 3.943 124.509 120.570 -0.007 0.000 2.127 63 I HA -0.169 4.001 4.170 0.001 0.000 0.241 63 I C -0.675 175.506 176.117 0.106 0.000 1.075 63 I CA 0.965 62.318 61.300 0.088 0.000 1.334 63 I CB -0.981 37.127 38.000 0.180 0.000 1.040 63 I HN 0.395 nan 8.210 nan 0.000 0.405 64 P HA -0.205 nan 4.420 nan 0.000 0.216 64 P C 1.451 178.766 177.300 0.026 0.000 1.153 64 P CA 1.970 65.100 63.100 0.049 0.000 0.858 64 P CB -0.060 31.657 31.700 0.028 0.000 0.789 65 A N -1.126 121.690 122.820 -0.006 0.000 1.969 65 A HA -0.148 4.173 4.320 0.001 0.000 0.218 65 A C 2.189 179.747 177.584 -0.044 0.000 1.169 65 A CA 1.329 53.343 52.037 -0.040 0.000 0.635 65 A CB -1.511 17.442 19.000 -0.080 0.000 0.810 65 A HN 0.130 nan 8.150 nan 0.000 0.445 66 I N -0.165 120.392 120.570 -0.022 0.000 2.233 66 I HA -0.176 3.995 4.170 0.001 0.000 0.243 66 I C 2.109 178.217 176.117 -0.015 0.000 1.093 66 I CA 0.624 61.917 61.300 -0.012 0.000 1.380 66 I CB -0.228 37.794 38.000 0.036 0.000 1.067 66 I HN 0.203 nan 8.210 nan 0.000 0.413 67 I N 0.301 120.892 120.570 0.034 0.000 2.163 67 I HA -0.309 3.862 4.170 0.001 0.000 0.243 67 I C 2.789 178.922 176.117 0.028 0.000 1.085 67 I CA 1.536 62.837 61.300 0.003 0.000 1.347 67 I CB -1.475 36.588 38.000 0.106 0.000 1.044 67 I HN 0.227 nan 8.210 nan 0.000 0.408 68 S N 0.647 116.370 115.700 0.037 0.000 2.365 68 S HA -0.209 4.261 4.470 0.001 0.000 0.225 68 S C 2.221 176.832 174.600 0.018 0.000 1.039 68 S CA 1.808 60.029 58.200 0.036 0.000 1.033 68 S CB -0.227 62.981 63.200 0.013 0.000 0.887 68 S HN 0.504 nan 8.310 nan 0.000 0.447 69 A N 1.104 123.912 122.820 -0.021 0.000 1.933 69 A HA 0.215 4.536 4.320 0.001 0.000 0.218 69 A C 2.442 180.007 177.584 -0.030 0.000 1.175 69 A CA 1.831 53.848 52.037 -0.034 0.000 0.628 69 A CB -1.284 17.678 19.000 -0.063 0.000 0.814 69 A HN 0.768 nan 8.150 nan 0.000 0.444 70 A N -0.270 122.495 122.820 -0.091 0.000 1.933 70 A HA -0.148 4.172 4.320 0.001 0.000 0.218 70 A C 1.925 179.579 177.584 0.118 0.000 1.175 70 A CA 1.647 53.581 52.037 -0.173 0.000 0.628 70 A CB -0.416 18.139 19.000 -0.742 0.000 0.814 70 A HN 0.646 nan 8.150 nan 0.000 0.444 71 E N -0.139 120.196 120.200 0.226 0.000 2.046 71 E HA -0.123 4.228 4.350 0.001 0.000 0.190 71 E C 2.006 178.691 176.600 0.141 0.000 0.982 71 E CA 1.320 57.894 56.400 0.289 0.000 0.800 71 E CB -0.386 29.455 29.700 0.235 0.000 0.756 71 E HN 0.869 nan 8.360 nan 0.000 0.449 72 I N -0.055 120.565 120.570 0.085 0.000 2.361 72 I HA -0.156 4.015 4.170 0.001 0.000 0.251 72 I C 2.345 178.490 176.117 0.047 0.000 1.133 72 I CA 1.619 62.949 61.300 0.050 0.000 1.413 72 I CB -0.682 37.334 38.000 0.027 0.000 1.073 72 I HN -0.010 nan 8.210 nan 0.000 0.424 73 T N -1.854 112.731 114.554 0.053 0.000 3.100 73 T HA 0.355 4.706 4.350 0.001 0.000 0.253 73 T C 1.593 176.329 174.700 0.060 0.000 1.118 73 T CA 0.336 62.463 62.100 0.045 0.000 1.058 73 T CB -0.136 68.751 68.868 0.032 0.000 0.953 73 T HN 0.790 nan 8.240 nan 0.000 0.515 74 G N 1.406 110.260 108.800 0.090 0.000 2.176 74 G HA2 -0.020 3.940 3.960 0.001 0.000 0.252 74 G HA3 -0.020 3.940 3.960 0.001 0.000 0.252 74 G C 0.258 175.232 174.900 0.122 0.000 1.024 74 G CA -0.064 45.093 45.100 0.095 0.000 0.755 74 G HN 1.157 nan 8.290 nan 0.000 0.507 75 A N -0.855 122.067 122.820 0.169 0.000 2.366 75 A HA 0.729 5.049 4.320 0.001 0.000 0.249 75 A C 1.638 179.409 177.584 0.312 0.000 1.084 75 A CA 0.667 52.807 52.037 0.172 0.000 0.794 75 A CB 0.896 19.947 19.000 0.085 0.000 1.034 75 A HN 1.616 nan 8.150 nan 0.000 0.491 76 V N -2.454 117.601 119.914 0.234 0.000 3.645 76 V HA 0.636 4.756 4.120 0.001 0.000 0.275 76 V C 0.565 176.834 176.094 0.291 0.000 1.356 76 V CA 0.766 63.216 62.300 0.250 0.000 1.051 76 V CB -0.980 30.903 31.823 0.101 0.000 0.828 76 V HN 1.631 nan 8.190 nan 0.000 0.441 77 A N 0.090 123.027 122.820 0.195 0.000 2.594 77 A HA 0.883 5.204 4.320 0.001 0.000 0.291 77 A C -1.325 176.256 177.584 -0.004 0.000 1.105 77 A CA -0.640 51.457 52.037 0.100 0.000 0.694 77 A CB 1.792 20.814 19.000 0.036 0.000 1.291 77 A HN 0.272 nan 8.150 nan 0.000 0.410 78 I N 1.715 122.259 120.570 -0.044 0.000 2.478 78 I HA 0.289 4.459 4.170 0.001 0.000 0.287 78 I C -0.948 175.114 176.117 -0.092 0.000 1.042 78 I CA -0.502 60.770 61.300 -0.047 0.000 1.067 78 I CB 1.902 39.888 38.000 -0.024 0.000 1.233 78 I HN 0.713 nan 8.210 nan 0.000 0.431 79 H N 8.614 127.611 119.070 -0.122 0.000 2.594 79 H HA 0.333 4.890 4.556 0.001 0.000 0.304 79 H C -2.033 173.227 175.328 -0.113 0.000 1.068 79 H CA -2.172 53.771 56.048 -0.174 0.000 1.308 79 H CB 2.030 31.703 29.762 -0.149 0.000 1.409 79 H HN 0.322 nan 8.280 nan 0.000 0.460 80 P HA 0.097 nan 4.420 nan 0.000 0.245 80 P C 0.823 178.203 177.300 0.133 0.000 1.203 80 P CA 1.011 64.216 63.100 0.175 0.000 0.792 80 P CB 0.920 32.779 31.700 0.265 0.000 0.997 81 G N 0.935 109.864 108.800 0.216 0.000 2.550 81 G HA2 -0.247 3.714 3.960 0.001 0.000 0.277 81 G HA3 -0.247 3.714 3.960 0.001 0.000 0.277 81 G C -0.594 174.342 174.900 0.061 0.000 1.190 81 G CA 0.415 45.489 45.100 -0.042 0.000 0.971 81 G HN 0.451 nan 8.290 nan 0.000 0.559 82 Y N -1.095 119.253 120.300 0.080 0.000 2.598 82 Y HA 0.715 5.265 4.550 0.001 0.000 0.340 82 Y C 1.004 176.939 175.900 0.058 0.000 1.038 82 Y CA -0.448 57.696 58.100 0.072 0.000 1.100 82 Y CB 0.835 39.323 38.460 0.046 0.000 1.281 82 Y HN 2.596 nan 8.280 nan 0.000 0.488 83 G N 1.194 110.168 108.800 0.290 0.000 2.601 83 G HA2 -0.245 3.716 3.960 0.001 0.000 0.252 83 G HA3 -0.245 3.716 3.960 0.001 0.000 0.252 83 G C 0.081 175.025 174.900 0.074 0.000 1.294 83 G CA 0.456 45.589 45.100 0.054 0.000 0.912 83 G HN 1.340 nan 8.290 nan 0.000 0.574 84 F N -2.057 117.922 119.950 0.047 0.000 2.797 84 F HA -0.321 4.207 4.527 0.001 0.000 0.230 84 F C 2.245 178.043 175.800 -0.003 0.000 1.480 84 F CA 2.314 60.318 58.000 0.006 0.000 1.923 84 F CB -1.191 37.781 39.000 -0.047 0.000 0.481 84 F HN 0.457 nan 8.300 nan 0.000 0.259 85 L N 0.500 121.832 121.223 0.183 0.000 2.700 85 L HA 0.129 4.470 4.340 0.001 0.000 0.234 85 L C 1.850 178.859 176.870 0.232 0.000 1.156 85 L CA 0.579 55.441 54.840 0.036 0.000 0.946 85 L CB -0.234 41.540 42.059 -0.476 0.000 1.216 85 L HN 0.528 nan 8.230 nan 0.000 0.493 86 S N -0.372 115.485 115.700 0.261 0.000 2.383 86 S HA -0.186 4.285 4.470 0.001 0.000 0.229 86 S C 1.364 176.164 174.600 0.333 0.000 1.030 86 S CA 1.085 59.481 58.200 0.326 0.000 1.002 86 S CB -0.122 63.224 63.200 0.243 0.000 0.829 86 S HN 0.536 nan 8.310 nan 0.000 0.467 87 E N 1.067 121.406 120.200 0.231 0.000 2.569 87 E HA 0.232 4.583 4.350 0.001 0.000 0.205 87 E C -0.527 176.160 176.600 0.145 0.000 1.006 87 E CA -0.325 56.183 56.400 0.180 0.000 0.985 87 E CB 0.214 29.993 29.700 0.132 0.000 1.060 87 E HN 0.353 nan 8.360 nan 0.000 0.460 88 N N 1.111 119.914 118.700 0.170 0.000 2.439 88 N HA 0.101 4.842 4.740 0.001 0.000 0.243 88 N C 0.595 176.163 175.510 0.097 0.000 1.088 88 N CA 0.038 53.171 53.050 0.138 0.000 0.940 88 N CB 1.239 39.817 38.487 0.152 0.000 1.180 88 N HN 0.105 nan 8.380 nan 0.000 0.505 89 A N 4.457 127.301 122.820 0.041 0.000 1.933 89 A HA -0.178 4.143 4.320 0.001 0.000 0.218 89 A C 1.851 179.401 177.584 -0.057 0.000 1.175 89 A CA 1.160 53.178 52.037 -0.032 0.000 0.628 89 A CB -0.235 18.758 19.000 -0.011 0.000 0.814 89 A HN 0.662 nan 8.150 nan 0.000 0.444 90 N N -1.009 117.697 118.700 0.009 0.000 2.149 90 N HA -0.145 4.596 4.740 0.001 0.000 0.188 90 N C 1.356 176.884 175.510 0.030 0.000 1.019 90 N CA 1.499 54.560 53.050 0.018 0.000 0.857 90 N CB -0.589 37.931 38.487 0.054 0.000 0.997 90 N HN 0.638 nan 8.380 nan 0.000 0.426 91 F N 1.195 121.088 119.950 -0.096 0.000 2.128 91 F HA -0.028 4.500 4.527 0.001 0.000 0.295 91 F C 2.173 177.809 175.800 -0.275 0.000 1.100 91 F CA 1.136 59.073 58.000 -0.105 0.000 1.260 91 F CB -0.199 38.787 39.000 -0.023 0.000 1.009 91 F HN 0.026 nan 8.300 nan 0.000 0.476 92 A N 0.221 122.656 122.820 -0.641 0.000 1.873 92 A HA -0.326 3.995 4.320 0.001 0.000 0.218 92 A C 2.164 179.341 177.584 -0.677 0.000 1.193 92 A CA 2.191 53.449 52.037 -1.298 0.000 0.629 92 A CB -1.222 17.052 19.000 -1.210 0.000 0.826 92 A HN 0.607 nan 8.150 nan 0.000 0.447 93 E N -1.181 118.792 120.200 -0.379 0.000 2.051 93 E HA -0.301 4.049 4.350 0.001 0.000 0.192 93 E C 2.232 178.727 176.600 -0.174 0.000 0.991 93 E CA 1.559 57.831 56.400 -0.214 0.000 0.799 93 E CB -0.150 29.472 29.700 -0.129 0.000 0.748 93 E HN 0.588 nan 8.360 nan 0.000 0.449 94 Q N 0.388 120.084 119.800 -0.174 0.000 2.084 94 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 94 Q C 2.075 178.001 176.000 -0.123 0.000 0.978 94 Q CA 1.657 57.394 55.803 -0.111 0.000 0.844 94 Q CB -0.381 28.328 28.738 -0.048 0.000 0.898 94 Q HN 0.236 nan 8.270 nan 0.000 0.426 95 V N 1.018 120.758 119.914 -0.290 0.000 2.252 95 V HA -0.296 3.824 4.120 0.001 0.000 0.249 95 V C 2.142 178.259 176.094 0.038 0.000 1.056 95 V CA 2.432 64.637 62.300 -0.158 0.000 1.022 95 V CB -0.591 31.041 31.823 -0.318 0.000 0.641 95 V HN 0.474 nan 8.190 nan 0.000 0.445 96 E N -0.511 119.656 120.200 -0.054 0.000 2.150 96 E HA -0.167 4.184 4.350 0.001 0.000 0.193 96 E C 2.449 179.027 176.600 -0.036 0.000 0.985 96 E CA 0.773 57.159 56.400 -0.023 0.000 0.814 96 E CB -0.151 29.518 29.700 -0.051 0.000 0.752 96 E HN 0.535 nan 8.360 nan 0.000 0.466 97 R N 0.330 120.803 120.500 -0.045 0.000 2.115 97 R HA 0.009 4.350 4.340 0.001 0.000 0.230 97 R C 2.120 178.398 176.300 -0.037 0.000 1.111 97 R CA 0.879 56.955 56.100 -0.040 0.000 0.976 97 R CB 0.021 30.299 30.300 -0.037 0.000 0.870 97 R HN -0.046 nan 8.270 nan 0.000 0.445 98 S N -0.777 114.922 115.700 -0.003 0.000 2.603 98 S HA 0.087 4.557 4.470 0.001 0.000 0.220 98 S C 1.111 175.570 174.600 -0.235 0.000 0.967 98 S CA 0.753 58.947 58.200 -0.010 0.000 0.920 98 S CB 0.818 64.135 63.200 0.196 0.000 0.773 98 S HN 0.678 nan 8.310 nan 0.000 0.529 99 G N 0.636 109.314 108.800 -0.204 0.000 2.159 99 G HA2 -0.215 3.745 3.960 0.001 0.000 0.227 99 G HA3 -0.215 3.745 3.960 0.001 0.000 0.227 99 G C -0.053 174.621 174.900 -0.377 0.000 0.986 99 G CA -0.480 44.438 45.100 -0.303 0.000 0.651 99 G HN 0.410 nan 8.290 nan 0.000 0.523 100 F N 0.308 120.240 119.950 -0.031 0.000 2.380 100 F HA 0.700 5.227 4.527 0.001 0.000 0.321 100 F C 1.236 177.028 175.800 -0.014 0.000 1.103 100 F CA -1.173 56.815 58.000 -0.021 0.000 1.067 100 F CB 0.778 39.767 39.000 -0.018 0.000 1.265 100 F HN -0.070 nan 8.300 nan 0.000 0.517 101 I N 2.045 122.734 120.570 0.199 0.000 2.416 101 I HA 0.067 4.238 4.170 0.001 0.000 0.288 101 I C -0.542 175.649 176.117 0.124 0.000 1.051 101 I CA -0.177 61.190 61.300 0.112 0.000 1.375 101 I CB 0.539 38.569 38.000 0.050 0.000 1.407 101 I HN 0.419 nan 8.210 nan 0.000 0.516 102 F N 7.529 127.446 119.950 -0.054 0.000 2.411 102 F HA 0.420 4.947 4.527 0.001 0.000 0.355 102 F C 0.351 176.080 175.800 -0.118 0.000 1.117 102 F CA -0.543 57.396 58.000 -0.100 0.000 1.139 102 F CB 0.610 39.533 39.000 -0.128 0.000 1.120 102 F HN 0.278 nan 8.300 nan 0.000 0.493 103 I N 7.285 127.433 120.570 -0.703 0.000 2.268 103 I HA 0.363 4.534 4.170 0.001 0.000 0.298 103 I C 0.600 176.204 176.117 -0.855 0.000 1.185 103 I CA 0.301 61.198 61.300 -0.672 0.000 1.548 103 I CB -0.982 36.598 38.000 -0.700 0.000 1.492 103 I HN 0.782 nan 8.210 nan 0.000 0.711 104 G N 5.782 114.276 108.800 -0.509 0.000 2.341 104 G HA2 0.364 4.325 3.960 0.001 0.000 0.299 104 G HA3 0.364 4.325 3.960 0.001 0.000 0.299 104 G C -3.303 171.590 174.900 -0.012 0.000 1.274 104 G CA -0.673 44.285 45.100 -0.236 0.000 0.853 104 G HN 0.089 nan 8.290 nan 0.000 0.493 105 P HA 0.343 nan 4.420 nan 0.000 0.279 105 P C -0.523 176.782 177.300 0.008 0.000 1.282 105 P CA -0.583 62.427 63.100 -0.150 0.000 0.788 105 P CB 0.514 32.069 31.700 -0.242 0.000 1.139 106 K N 0.143 120.508 120.400 -0.059 0.000 2.414 106 K HA 0.120 4.440 4.320 0.001 0.000 0.272 106 K C 1.456 178.027 176.600 -0.049 0.000 0.993 106 K CA 0.232 56.494 56.287 -0.042 0.000 0.964 106 K CB 0.098 32.574 32.500 -0.040 0.000 0.925 106 K HN 0.467 nan 8.250 nan 0.000 0.487 107 A N 3.508 126.270 122.820 -0.096 0.000 1.948 107 A HA -0.191 4.130 4.320 0.001 0.000 0.220 107 A C 1.698 179.254 177.584 -0.047 0.000 1.177 107 A CA 1.460 53.430 52.037 -0.112 0.000 0.636 107 A CB -0.158 18.753 19.000 -0.149 0.000 0.815 107 A HN 0.737 nan 8.150 nan 0.000 0.449 108 E N -0.581 119.601 120.200 -0.031 0.000 2.208 108 E HA -0.088 4.263 4.350 0.001 0.000 0.193 108 E C 2.028 178.636 176.600 0.014 0.000 0.988 108 E CA 1.426 57.821 56.400 -0.008 0.000 0.828 108 E CB -0.493 29.202 29.700 -0.009 0.000 0.763 108 E HN 0.651 nan 8.360 nan 0.000 0.478 109 T N 1.522 116.090 114.554 0.024 0.000 2.777 109 T HA -0.035 4.316 4.350 0.001 0.000 0.266 109 T C 2.121 176.872 174.700 0.084 0.000 1.040 109 T CA 0.626 62.767 62.100 0.068 0.000 1.141 109 T CB -0.088 68.831 68.868 0.084 0.000 0.868 109 T HN 0.116 nan 8.240 nan 0.000 0.444 110 I N 1.728 122.336 120.570 0.064 0.000 2.179 110 I HA -0.227 3.943 4.170 0.001 0.000 0.242 110 I C 2.735 178.884 176.117 0.053 0.000 1.088 110 I CA 1.439 62.783 61.300 0.074 0.000 1.357 110 I CB -0.370 37.664 38.000 0.057 0.000 1.051 110 I HN 0.293 nan 8.210 nan 0.000 0.409 111 R N 0.683 121.202 120.500 0.032 0.000 2.148 111 R HA -0.087 4.253 4.340 0.001 0.000 0.223 111 R C 2.241 178.557 176.300 0.025 0.000 1.088 111 R CA 0.790 56.906 56.100 0.026 0.000 0.985 111 R CB -0.726 29.584 30.300 0.017 0.000 0.880 111 R HN 0.241 nan 8.270 nan 0.000 0.451 112 L N 0.861 122.101 121.223 0.028 0.000 2.017 112 L HA -0.048 4.292 4.340 0.001 0.000 0.208 112 L C 1.865 178.751 176.870 0.027 0.000 1.073 112 L CA 1.779 56.633 54.840 0.025 0.000 0.745 112 L CB -0.149 41.928 42.059 0.029 0.000 0.894 112 L HN 0.139 nan 8.230 nan 0.000 0.432 113 M N -1.026 118.599 119.600 0.042 0.000 2.556 113 M HA 0.196 4.677 4.480 0.001 0.000 0.245 113 M C 2.011 178.331 176.300 0.034 0.000 1.128 113 M CA 0.847 56.173 55.300 0.044 0.000 1.069 113 M CB -1.469 31.153 32.600 0.038 0.000 1.469 113 M HN 0.374 nan 8.290 nan 0.000 0.494 114 G N 0.135 108.954 108.800 0.031 0.000 2.453 114 G HA2 -0.114 3.846 3.960 0.001 0.000 0.215 114 G HA3 -0.114 3.846 3.960 0.001 0.000 0.215 114 G C 0.154 175.055 174.900 0.003 0.000 1.147 114 G CA 0.045 45.157 45.100 0.021 0.000 0.802 114 G HN 0.417 nan 8.290 nan 0.000 0.535 115 D N -0.428 119.975 120.400 0.005 0.000 2.316 115 D HA 0.309 4.950 4.640 0.001 0.000 0.245 115 D C 1.399 177.685 176.300 -0.023 0.000 1.171 115 D CA -0.226 53.770 54.000 -0.007 0.000 0.856 115 D CB 1.097 41.896 40.800 -0.001 0.000 1.090 115 D HN 0.028 nan 8.370 nan 0.000 0.476 116 K N 2.082 122.458 120.400 -0.040 0.000 2.103 116 K HA -0.056 4.265 4.320 0.001 0.000 0.204 116 K C 1.738 178.189 176.600 -0.249 0.000 1.052 116 K CA 0.576 56.806 56.287 -0.095 0.000 0.945 116 K CB 0.164 32.650 32.500 -0.023 0.000 0.722 116 K HN 0.306 nan 8.250 nan 0.000 0.443 117 V N 1.511 121.268 119.914 -0.261 0.000 2.343 117 V HA -0.257 3.864 4.120 0.001 0.000 0.247 117 V C 2.419 178.432 176.094 -0.135 0.000 1.051 117 V CA 2.265 64.402 62.300 -0.272 0.000 1.036 117 V CB -0.399 31.338 31.823 -0.144 0.000 0.654 117 V HN 0.440 nan 8.190 nan 0.000 0.451 118 S N 0.676 116.332 115.700 -0.073 0.000 2.406 118 S HA -0.040 4.430 4.470 0.001 0.000 0.228 118 S C 2.086 176.669 174.600 -0.028 0.000 1.020 118 S CA 1.094 59.271 58.200 -0.039 0.000 0.965 118 S CB -0.346 62.843 63.200 -0.018 0.000 0.798 118 S HN 0.527 nan 8.310 nan 0.000 0.488 119 A N 2.190 125.003 122.820 -0.013 0.000 1.877 119 A HA 0.100 4.420 4.320 0.001 0.000 0.216 119 A C 2.215 179.818 177.584 0.032 0.000 1.186 119 A CA 1.461 53.519 52.037 0.035 0.000 0.620 119 A CB -0.902 18.164 19.000 0.110 0.000 0.822 119 A HN 0.553 nan 8.150 nan 0.000 0.443 120 I N -0.161 120.438 120.570 0.049 0.000 2.163 120 I HA -0.303 3.867 4.170 0.001 0.000 0.243 120 I C 2.971 179.068 176.117 -0.035 0.000 1.085 120 I CA 1.142 62.472 61.300 0.050 0.000 1.347 120 I CB -0.303 37.688 38.000 -0.016 0.000 1.044 120 I HN 0.361 nan 8.210 nan 0.000 0.408 121 A N 0.585 123.375 122.820 -0.049 0.000 1.940 121 A HA -0.186 4.134 4.320 0.001 0.000 0.219 121 A C 2.517 180.070 177.584 -0.051 0.000 1.176 121 A CA 1.902 53.913 52.037 -0.043 0.000 0.631 121 A CB -0.834 18.143 19.000 -0.038 0.000 0.814 121 A HN 0.450 nan 8.150 nan 0.000 0.446 122 A N -1.009 121.775 122.820 -0.059 0.000 1.930 122 A HA -0.084 4.236 4.320 0.001 0.000 0.217 122 A C 2.159 179.677 177.584 -0.111 0.000 1.175 122 A CA 1.899 53.896 52.037 -0.066 0.000 0.627 122 A CB -0.418 18.553 19.000 -0.050 0.000 0.815 122 A HN 0.429 nan 8.150 nan 0.000 0.443 123 M N -0.569 118.918 119.600 -0.189 0.000 2.156 123 M HA -0.037 4.443 4.480 0.001 0.000 0.264 123 M C 2.061 178.253 176.300 -0.179 0.000 1.067 123 M CA 1.699 56.820 55.300 -0.298 0.000 1.131 123 M CB -1.141 31.035 32.600 -0.706 0.000 1.368 123 M HN 0.538 nan 8.290 nan 0.000 0.416 124 K N 0.728 121.066 120.400 -0.104 0.000 2.032 124 K HA -0.208 4.112 4.320 0.001 0.000 0.209 124 K C 2.144 178.714 176.600 -0.049 0.000 1.048 124 K CA 1.618 57.877 56.287 -0.045 0.000 0.927 124 K CB -0.031 32.462 32.500 -0.011 0.000 0.712 124 K HN 0.143 nan 8.250 nan 0.000 0.441 125 K N -0.071 120.297 120.400 -0.053 0.000 2.032 125 K HA -0.148 4.172 4.320 0.001 0.000 0.209 125 K C 1.861 178.427 176.600 -0.058 0.000 1.048 125 K CA 1.461 57.721 56.287 -0.046 0.000 0.927 125 K CB -0.213 32.263 32.500 -0.040 0.000 0.712 125 K HN 0.259 nan 8.250 nan 0.000 0.441 126 A N -0.262 122.510 122.820 -0.081 0.000 2.121 126 A HA 0.068 4.388 4.320 0.001 0.000 0.218 126 A C 1.478 178.995 177.584 -0.111 0.000 1.154 126 A CA 1.426 53.407 52.037 -0.094 0.000 0.679 126 A CB -0.433 18.498 19.000 -0.114 0.000 0.795 126 A HN 0.631 nan 8.150 nan 0.000 0.458 127 G N -2.405 106.332 108.800 -0.104 0.000 2.163 127 G HA2 -0.153 3.807 3.960 0.001 0.000 0.213 127 G HA3 -0.153 3.807 3.960 0.001 0.000 0.213 127 G C 0.081 174.905 174.900 -0.126 0.000 0.991 127 G CA -0.024 45.012 45.100 -0.106 0.000 0.653 127 G HN 0.762 nan 8.290 nan 0.000 0.518 128 V N 3.333 123.165 119.914 -0.137 0.000 2.455 128 V HA 0.412 4.533 4.120 0.001 0.000 0.273 128 V C -1.230 174.878 176.094 0.022 0.000 1.045 128 V CA -1.240 60.999 62.300 -0.103 0.000 0.976 128 V CB 1.234 32.929 31.823 -0.213 0.000 0.993 128 V HN 0.252 nan 8.190 nan 0.000 0.475 129 P HA 0.203 nan 4.420 nan 0.000 0.271 129 P C -0.613 176.876 177.300 0.315 0.000 1.220 129 P CA -0.076 63.136 63.100 0.187 0.000 0.768 129 P CB 0.642 32.443 31.700 0.170 0.000 0.848 130 C N 2.347 121.814 119.300 0.279 0.000 2.630 130 C HA 0.424 4.884 4.460 0.001 0.000 0.346 130 C C 0.456 175.689 174.990 0.405 0.000 1.245 130 C CA -0.705 58.529 59.018 0.359 0.000 1.804 130 C CB 1.800 29.701 27.740 0.268 0.000 2.279 130 C HN 0.363 nan 8.230 nan 0.000 0.498 131 V N 2.967 123.112 119.914 0.386 0.000 2.529 131 V HA 0.129 4.249 4.120 0.001 0.000 0.292 131 V C -2.008 174.206 176.094 0.200 0.000 1.028 131 V CA -0.596 61.880 62.300 0.294 0.000 1.074 131 V CB -0.248 31.657 31.823 0.136 0.000 0.958 131 V HN 0.763 nan 8.190 nan 0.000 0.481 132 P HA 0.251 nan 4.420 nan 0.000 0.261 132 P C 0.352 177.701 177.300 0.083 0.000 1.165 132 P CA 0.894 64.060 63.100 0.110 0.000 0.759 132 P CB 0.337 32.083 31.700 0.078 0.000 0.772 133 G N 0.620 109.469 108.800 0.083 0.000 2.554 133 G HA2 0.326 4.286 3.960 0.001 0.000 0.306 133 G HA3 0.326 4.286 3.960 0.001 0.000 0.306 133 G C 0.769 175.712 174.900 0.073 0.000 1.320 133 G CA 0.016 45.168 45.100 0.088 0.000 0.800 133 G HN 0.308 nan 8.290 nan 0.000 0.481 134 S N -0.495 115.258 115.700 0.088 0.000 2.419 134 S HA -0.031 4.440 4.470 0.001 0.000 0.235 134 S C 0.611 175.244 174.600 0.054 0.000 1.019 134 S CA 1.562 59.803 58.200 0.069 0.000 0.982 134 S CB -0.281 62.973 63.200 0.091 0.000 0.789 134 S HN 0.770 nan 8.310 nan 0.000 0.490 135 D N 1.775 122.206 120.400 0.053 0.000 2.737 135 D HA 0.013 4.653 4.640 0.001 0.000 0.238 135 D C 0.372 176.680 176.300 0.013 0.000 1.157 135 D CA 1.546 55.560 54.000 0.024 0.000 0.694 135 D CB -1.653 39.162 40.800 0.025 0.000 1.021 135 D HN 1.015 nan 8.370 nan 0.000 0.420 136 G N -0.688 108.117 108.800 0.009 0.000 2.339 136 G HA2 0.237 4.197 3.960 0.001 0.000 0.381 136 G HA3 0.237 4.197 3.960 0.001 0.000 0.381 136 G C -3.143 171.789 174.900 0.053 0.000 1.400 136 G CA -0.755 44.354 45.100 0.014 0.000 1.002 136 G HN 0.058 nan 8.290 nan 0.000 0.633 137 P HA 0.453 nan 4.420 nan 0.000 0.272 137 P C -0.081 177.264 177.300 0.075 0.000 1.230 137 P CA -0.280 62.870 63.100 0.084 0.000 0.788 137 P CB 0.851 32.588 31.700 0.061 0.000 0.949 138 L N 1.164 122.435 121.223 0.081 0.000 2.312 138 L HA 0.464 4.805 4.340 0.001 0.000 0.281 138 L C 1.457 178.353 176.870 0.042 0.000 1.070 138 L CA -0.272 54.602 54.840 0.056 0.000 0.805 138 L CB 0.892 42.981 42.059 0.050 0.000 1.174 138 L HN 0.500 nan 8.230 nan 0.000 0.434 139 G N 0.790 109.611 108.800 0.034 0.000 2.543 139 G HA2 0.147 4.108 3.960 0.001 0.000 0.267 139 G HA3 0.147 4.108 3.960 0.001 0.000 0.267 139 G C 0.037 174.952 174.900 0.025 0.000 1.406 139 G CA -0.283 44.833 45.100 0.028 0.000 1.048 139 G HN 0.640 nan 8.290 nan 0.000 0.548 140 D N -0.907 119.506 120.400 0.021 0.000 2.369 140 D HA 0.076 4.716 4.640 0.001 0.000 0.211 140 D C -0.114 176.197 176.300 0.018 0.000 1.077 140 D CA 0.021 54.033 54.000 0.019 0.000 0.842 140 D CB 0.486 41.296 40.800 0.017 0.000 0.947 140 D HN 0.266 nan 8.370 nan 0.000 0.509 141 D N 0.748 121.159 120.400 0.018 0.000 2.339 141 D HA 0.010 4.650 4.640 0.001 0.000 0.256 141 D C 1.363 177.675 176.300 0.019 0.000 1.214 141 D CA -0.046 53.964 54.000 0.017 0.000 0.877 141 D CB 0.717 41.527 40.800 0.017 0.000 1.111 141 D HN -0.275 nan 8.370 nan 0.000 0.478 142 M N 2.337 121.948 119.600 0.019 0.000 2.394 142 M HA -0.051 4.430 4.480 0.001 0.000 0.264 142 M C 0.855 177.170 176.300 0.024 0.000 1.073 142 M CA 0.833 56.146 55.300 0.022 0.000 1.111 142 M CB -0.380 32.232 32.600 0.021 0.000 1.401 142 M HN 0.406 nan 8.290 nan 0.000 0.448 143 D N 0.456 120.869 120.400 0.021 0.000 2.123 143 D HA -0.070 4.570 4.640 0.001 0.000 0.200 143 D C 2.035 178.347 176.300 0.020 0.000 0.976 143 D CA 1.060 55.072 54.000 0.021 0.000 0.831 143 D CB 0.067 40.878 40.800 0.018 0.000 0.974 143 D HN 0.282 nan 8.370 nan 0.000 0.469 144 K N 0.208 120.619 120.400 0.018 0.000 2.025 144 K HA -0.040 4.280 4.320 0.001 0.000 0.207 144 K C 1.620 178.230 176.600 0.016 0.000 1.049 144 K CA 0.771 57.068 56.287 0.017 0.000 0.933 144 K CB 0.007 32.518 32.500 0.018 0.000 0.714 144 K HN 0.033 nan 8.250 nan 0.000 0.438 145 N N 0.787 119.499 118.700 0.019 0.000 2.289 145 N HA -0.143 4.597 4.740 0.001 0.000 0.184 145 N C 1.598 177.118 175.510 0.016 0.000 1.016 145 N CA 0.975 54.035 53.050 0.018 0.000 0.872 145 N CB -0.045 38.456 38.487 0.023 0.000 0.973 145 N HN 0.178 nan 8.380 nan 0.000 0.433 146 R N 0.204 120.719 120.500 0.025 0.000 2.100 146 R HA 0.180 4.521 4.340 0.001 0.000 0.220 146 R C 1.911 178.221 176.300 0.018 0.000 1.091 146 R CA 0.787 56.910 56.100 0.039 0.000 0.986 146 R CB 0.000 30.331 30.300 0.051 0.000 0.888 146 R HN 0.141 nan 8.270 nan 0.000 0.444 147 A N 0.805 123.633 122.820 0.012 0.000 1.969 147 A HA -0.086 4.235 4.320 0.001 0.000 0.218 147 A C 2.004 179.580 177.584 -0.013 0.000 1.169 147 A CA 0.953 52.993 52.037 0.005 0.000 0.635 147 A CB -0.349 18.657 19.000 0.010 0.000 0.810 147 A HN 0.251 nan 8.150 nan 0.000 0.445 148 I N -0.175 120.384 120.570 -0.017 0.000 2.179 148 I HA -0.279 3.891 4.170 0.001 0.000 0.242 148 I C 2.954 179.024 176.117 -0.079 0.000 1.088 148 I CA 1.104 62.387 61.300 -0.028 0.000 1.357 148 I CB -0.308 37.686 38.000 -0.011 0.000 1.051 148 I HN 0.344 nan 8.210 nan 0.000 0.409 149 A N 0.695 123.440 122.820 -0.126 0.000 1.933 149 A HA -0.216 4.104 4.320 0.001 0.000 0.218 149 A C 2.301 179.680 177.584 -0.342 0.000 1.175 149 A CA 1.645 53.495 52.037 -0.313 0.000 0.628 149 A CB -0.397 18.367 19.000 -0.394 0.000 0.814 149 A HN 0.335 nan 8.150 nan 0.000 0.444 150 K N -0.904 119.406 120.400 -0.151 0.000 2.062 150 K HA -0.072 4.249 4.320 0.001 0.000 0.205 150 K C 2.374 178.945 176.600 -0.048 0.000 1.051 150 K CA 1.167 57.417 56.287 -0.062 0.000 0.941 150 K CB -0.153 32.354 32.500 0.012 0.000 0.719 150 K HN 0.463 nan 8.250 nan 0.000 0.440 151 R N 1.331 121.806 120.500 -0.042 0.000 2.073 151 R HA -0.113 4.228 4.340 0.001 0.000 0.234 151 R C 2.140 178.422 176.300 -0.030 0.000 1.134 151 R CA 1.381 57.468 56.100 -0.022 0.000 0.952 151 R CB -0.246 30.047 30.300 -0.012 0.000 0.850 151 R HN 0.125 nan 8.270 nan 0.000 0.433 152 I N 0.106 120.640 120.570 -0.059 0.000 2.179 152 I HA -0.077 4.094 4.170 0.001 0.000 0.242 152 I C 0.900 176.977 176.117 -0.067 0.000 1.088 152 I CA 1.271 62.535 61.300 -0.060 0.000 1.357 152 I CB -0.340 37.607 38.000 -0.088 0.000 1.051 152 I HN 0.552 nan 8.210 nan 0.000 0.409 153 G N -0.236 108.495 108.800 -0.116 0.000 3.190 153 G HA2 -0.213 3.748 3.960 0.001 0.000 0.686 153 G HA3 -0.213 3.748 3.960 0.001 0.000 0.686 153 G C -0.692 174.161 174.900 -0.079 0.000 1.033 153 G CA -0.959 44.102 45.100 -0.065 0.000 0.797 153 G HN 0.046 nan 8.290 nan 0.000 0.567 154 Y N 2.584 122.896 120.300 0.020 0.000 2.457 154 Y HA 0.430 4.981 4.550 0.001 0.000 0.341 154 Y C -0.461 175.459 175.900 0.033 0.000 1.240 154 Y CA -0.362 57.751 58.100 0.022 0.000 1.437 154 Y CB 0.454 38.920 38.460 0.009 0.000 1.328 154 Y HN 0.584 nan 8.280 nan 0.000 0.588 155 P HA 0.321 nan 4.420 nan 0.000 0.276 155 P C -1.151 176.262 177.300 0.188 0.000 1.244 155 P CA -0.389 62.889 63.100 0.297 0.000 0.801 155 P CB 1.327 33.145 31.700 0.197 0.000 1.006 156 V N -1.085 118.919 119.914 0.151 0.000 3.046 156 V HA 0.681 4.801 4.120 0.001 0.000 0.316 156 V C -0.393 175.738 176.094 0.062 0.000 1.104 156 V CA -1.131 61.199 62.300 0.050 0.000 1.006 156 V CB 2.013 33.776 31.823 -0.100 0.000 1.058 156 V HN 0.558 nan 8.190 nan 0.000 0.440 157 I N 2.581 123.189 120.570 0.065 0.000 2.466 157 I HA 0.536 4.706 4.170 0.001 0.000 0.289 157 I C -1.108 174.975 176.117 -0.055 0.000 1.026 157 I CA -0.886 60.432 61.300 0.031 0.000 1.078 157 I CB 1.513 39.616 38.000 0.171 0.000 1.249 157 I HN 0.578 nan 8.210 nan 0.000 0.429 158 I N 7.480 127.996 120.570 -0.090 0.000 2.325 158 I HA 0.369 4.540 4.170 0.001 0.000 0.291 158 I C -0.113 175.858 176.117 -0.244 0.000 1.019 158 I CA -0.354 60.852 61.300 -0.156 0.000 1.302 158 I CB 0.642 38.587 38.000 -0.092 0.000 1.401 158 I HN 0.537 nan 8.210 nan 0.000 0.485 159 K N 4.071 124.170 120.400 -0.500 0.000 2.316 159 K HA 0.729 5.050 4.320 0.001 0.000 0.251 159 K C -0.458 175.833 176.600 -0.515 0.000 0.934 159 K CA -0.754 55.188 56.287 -0.575 0.000 0.802 159 K CB 2.652 34.670 32.500 -0.803 0.000 1.171 159 K HN 0.697 nan 8.250 nan 0.000 0.426 160 A N 1.273 123.949 122.820 -0.240 0.000 2.409 160 A HA 0.091 4.411 4.320 0.001 0.000 0.267 160 A C 1.180 178.763 177.584 -0.001 0.000 1.127 160 A CA -0.080 51.895 52.037 -0.103 0.000 0.795 160 A CB 0.854 19.800 19.000 -0.091 0.000 1.061 160 A HN 0.793 nan 8.150 nan 0.000 0.502 161 S N 2.371 118.155 115.700 0.140 0.000 2.383 161 S HA -0.068 4.403 4.470 0.001 0.000 0.227 161 S C 1.686 176.291 174.600 0.009 0.000 1.026 161 S CA 1.949 60.266 58.200 0.194 0.000 0.981 161 S CB -0.253 63.042 63.200 0.159 0.000 0.818 161 S HN 1.056 nan 8.310 nan 0.000 0.472 162 G N -0.077 108.682 108.800 -0.069 0.000 3.042 162 G HA2 0.448 4.409 3.960 0.001 0.000 0.212 162 G HA3 0.448 4.409 3.960 0.001 0.000 0.212 162 G C 0.541 175.098 174.900 -0.572 0.000 1.166 162 G CA 0.260 45.272 45.100 -0.147 0.000 0.767 162 G HN 0.614 nan 8.290 nan 0.000 0.546 163 G N -0.991 107.334 108.800 -0.791 0.000 2.525 163 G HA2 0.623 4.583 3.960 0.001 0.000 0.287 163 G HA3 0.623 4.583 3.960 0.001 0.000 0.287 163 G C -0.061 174.394 174.900 -0.742 0.000 1.350 163 G CA -0.137 44.052 45.100 -1.519 0.000 1.039 163 G HN 0.975 nan 8.290 nan 0.000 0.513 164 G N -3.414 105.077 108.800 -0.514 0.000 2.402 164 G HA2 0.628 4.589 3.960 0.001 0.000 0.301 164 G HA3 0.628 4.589 3.960 0.001 0.000 0.301 164 G C 0.165 175.000 174.900 -0.110 0.000 1.615 164 G CA 0.701 45.671 45.100 -0.216 0.000 0.889 164 G HN 2.240 nan 8.290 nan 0.000 0.647 165 G N 0.106 108.827 108.800 -0.132 0.000 3.226 165 G HA2 0.265 4.226 3.960 0.001 0.000 0.270 165 G HA3 0.265 4.226 3.960 0.001 0.000 0.270 165 G C 1.257 175.887 174.900 -0.451 0.000 1.592 165 G CA 1.540 46.538 45.100 -0.170 0.000 1.055 165 G HN 2.322 nan 8.290 nan 0.000 0.582 166 G N -0.078 108.479 108.800 -0.406 0.000 2.597 166 G HA2 0.403 4.364 3.960 0.001 0.000 0.196 166 G HA3 0.403 4.364 3.960 0.001 0.000 0.196 166 G C 0.653 175.450 174.900 -0.172 0.000 1.176 166 G CA 0.609 45.354 45.100 -0.591 0.000 0.747 166 G HN 0.660 nan 8.290 nan 0.000 0.821 167 R N 0.529 121.015 120.500 -0.023 0.000 2.489 167 R HA 0.438 4.779 4.340 0.001 0.000 0.287 167 R C 0.901 177.277 176.300 0.128 0.000 1.053 167 R CA 0.900 57.049 56.100 0.081 0.000 1.036 167 R CB 0.554 30.938 30.300 0.141 0.000 0.966 167 R HN 0.423 nan 8.270 nan 0.000 0.432 168 G N 2.704 111.559 108.800 0.092 0.000 2.303 168 G HA2 -0.255 3.705 3.960 0.001 0.000 0.260 168 G HA3 -0.255 3.705 3.960 0.001 0.000 0.260 168 G C -0.271 174.620 174.900 -0.015 0.000 1.106 168 G CA -0.411 44.734 45.100 0.076 0.000 0.900 168 G HN 0.484 nan 8.290 nan 0.000 0.495 169 M N -0.893 118.694 119.600 -0.023 0.000 2.378 169 M HA 0.630 5.110 4.480 0.001 0.000 0.289 169 M C -0.060 176.221 176.300 -0.032 0.000 1.136 169 M CA -0.643 54.630 55.300 -0.045 0.000 0.917 169 M CB 2.506 35.084 32.600 -0.037 0.000 1.669 169 M HN 0.211 nan 8.290 nan 0.000 0.461 170 R N 1.200 121.669 120.500 -0.051 0.000 2.604 170 R HA 0.745 5.086 4.340 0.001 0.000 0.281 170 R C -1.642 174.603 176.300 -0.092 0.000 1.020 170 R CA -0.712 55.352 56.100 -0.060 0.000 0.899 170 R CB 2.724 32.996 30.300 -0.046 0.000 1.205 170 R HN 0.464 nan 8.270 nan 0.000 0.450 171 V N 3.668 123.491 119.914 -0.151 0.000 2.398 171 V HA 0.456 4.577 4.120 0.001 0.000 0.286 171 V C -0.299 175.706 176.094 -0.148 0.000 1.026 171 V CA -0.749 61.400 62.300 -0.253 0.000 0.868 171 V CB 1.650 33.121 31.823 -0.586 0.000 0.982 171 V HN 0.427 nan 8.190 nan 0.000 0.443 172 V N 5.384 125.266 119.914 -0.054 0.000 2.513 172 V HA 0.534 4.655 4.120 0.001 0.000 0.299 172 V C 0.476 176.631 176.094 0.103 0.000 1.035 172 V CA -0.689 61.632 62.300 0.035 0.000 0.889 172 V CB 1.689 33.596 31.823 0.140 0.000 0.988 172 V HN 0.856 nan 8.190 nan 0.000 0.440 173 R N 2.019 122.483 120.500 -0.059 0.000 2.535 173 R HA 0.520 4.861 4.340 0.001 0.000 0.323 173 R C 0.562 176.536 176.300 -0.543 0.000 0.979 173 R CA 0.227 56.234 56.100 -0.156 0.000 1.120 173 R CB 1.426 31.664 30.300 -0.102 0.000 1.306 173 R HN 0.896 nan 8.270 nan 0.000 0.540 174 G N -0.818 107.574 108.800 -0.679 0.000 2.682 174 G HA2 0.096 4.056 3.960 0.001 0.000 0.303 174 G HA3 0.096 4.056 3.960 0.001 0.000 0.303 174 G C -0.830 173.788 174.900 -0.471 0.000 1.341 174 G CA -0.446 44.226 45.100 -0.714 0.000 0.784 174 G HN -0.101 nan 8.290 nan 0.000 0.497 175 D N -0.275 119.981 120.400 -0.239 0.000 2.355 175 D HA 0.093 4.734 4.640 0.001 0.000 0.206 175 D C 2.314 178.595 176.300 -0.032 0.000 1.010 175 D CA 0.840 54.814 54.000 -0.044 0.000 0.875 175 D CB 0.745 41.545 40.800 -0.000 0.000 0.966 175 D HN 0.364 nan 8.370 nan 0.000 0.512 176 A N 0.960 123.742 122.820 -0.065 0.000 2.066 176 A HA -0.106 4.214 4.320 0.001 0.000 0.218 176 A C 1.811 179.373 177.584 -0.036 0.000 1.157 176 A CA 1.129 53.139 52.037 -0.044 0.000 0.670 176 A CB -0.003 18.965 19.000 -0.052 0.000 0.804 176 A HN -0.009 nan 8.150 nan 0.000 0.453 177 E N -1.144 119.029 120.200 -0.045 0.000 2.415 177 E HA 0.124 4.474 4.350 0.001 0.000 0.197 177 E C 1.556 178.153 176.600 -0.005 0.000 1.007 177 E CA -0.053 56.328 56.400 -0.032 0.000 0.890 177 E CB -0.047 29.623 29.700 -0.049 0.000 0.891 177 E HN 0.419 nan 8.360 nan 0.000 0.496 178 L N 0.699 121.932 121.223 0.017 0.000 2.131 178 L HA -0.057 4.284 4.340 0.001 0.000 0.210 178 L C 1.988 178.877 176.870 0.031 0.000 1.092 178 L CA 1.637 56.508 54.840 0.052 0.000 0.759 178 L CB -0.531 41.594 42.059 0.110 0.000 0.903 178 L HN 0.135 nan 8.230 nan 0.000 0.435 179 A N -1.094 121.738 122.820 0.020 0.000 1.858 179 A HA -0.256 4.064 4.320 0.001 0.000 0.216 179 A C 2.203 179.792 177.584 0.009 0.000 1.190 179 A CA 1.952 53.998 52.037 0.014 0.000 0.617 179 A CB -0.531 18.474 19.000 0.009 0.000 0.827 179 A HN 0.628 nan 8.150 nan 0.000 0.443 180 Q N -0.662 119.140 119.800 0.003 0.000 2.424 180 Q HA 0.055 4.395 4.340 0.001 0.000 0.204 180 Q C 2.112 178.111 176.000 -0.002 0.000 0.933 180 Q CA 0.765 56.567 55.803 -0.001 0.000 0.929 180 Q CB 0.174 28.909 28.738 -0.005 0.000 1.037 180 Q HN 0.626 nan 8.270 nan 0.000 0.511 181 S N 0.685 116.384 115.700 -0.002 0.000 2.387 181 S HA -0.025 4.446 4.470 0.001 0.000 0.226 181 S C 1.850 176.446 174.600 -0.007 0.000 1.026 181 S CA 0.736 58.932 58.200 -0.007 0.000 0.972 181 S CB 0.027 63.224 63.200 -0.006 0.000 0.814 181 S HN 0.318 nan 8.310 nan 0.000 0.477 182 I N 1.999 122.569 120.570 0.000 0.000 2.439 182 I HA -0.125 4.046 4.170 0.001 0.000 0.251 182 I C 2.566 178.685 176.117 0.003 0.000 1.139 182 I CA 1.127 62.427 61.300 -0.000 0.000 1.438 182 I CB -0.473 37.532 38.000 0.008 0.000 1.085 182 I HN 0.331 nan 8.210 nan 0.000 0.427 183 S N 1.047 116.750 115.700 0.005 0.000 2.371 183 S HA -0.088 4.382 4.470 0.001 0.000 0.224 183 S C 2.064 176.668 174.600 0.007 0.000 1.029 183 S CA 0.729 58.934 58.200 0.008 0.000 0.978 183 S CB -0.458 62.746 63.200 0.007 0.000 0.833 183 S HN 0.328 nan 8.310 nan 0.000 0.466 184 M N 1.423 121.025 119.600 0.003 0.000 2.175 184 M HA -0.060 4.420 4.480 0.001 0.000 0.264 184 M C 2.294 178.598 176.300 0.007 0.000 1.063 184 M CA 1.641 56.942 55.300 0.003 0.000 1.119 184 M CB -0.916 31.683 32.600 -0.002 0.000 1.377 184 M HN 0.414 nan 8.290 nan 0.000 0.415 185 T N -0.396 114.160 114.554 0.002 0.000 2.821 185 T HA -0.127 4.223 4.350 0.001 0.000 0.267 185 T C 1.773 176.485 174.700 0.021 0.000 1.046 185 T CA 1.088 63.190 62.100 0.004 0.000 1.139 185 T CB -0.281 68.573 68.868 -0.023 0.000 0.871 185 T HN 0.385 nan 8.240 nan 0.000 0.454 186 R N 0.938 121.449 120.500 0.019 0.000 2.075 186 R HA 0.039 4.379 4.340 0.001 0.000 0.232 186 R C 2.551 178.874 176.300 0.038 0.000 1.126 186 R CA 1.276 57.394 56.100 0.030 0.000 0.963 186 R CB -0.358 29.956 30.300 0.025 0.000 0.858 186 R HN 0.367 nan 8.270 nan 0.000 0.435 187 A N 0.664 123.501 122.820 0.028 0.000 1.929 187 A HA -0.105 4.215 4.320 0.001 0.000 0.216 187 A C 1.738 179.338 177.584 0.027 0.000 1.176 187 A CA 1.248 53.300 52.037 0.024 0.000 0.628 187 A CB -0.215 18.793 19.000 0.014 0.000 0.816 187 A HN 0.454 nan 8.150 nan 0.000 0.444 188 E N -0.405 119.815 120.200 0.033 0.000 2.358 188 E HA 0.087 4.438 4.350 0.001 0.000 0.195 188 E C 1.965 178.616 176.600 0.085 0.000 1.010 188 E CA 0.530 56.952 56.400 0.037 0.000 0.856 188 E CB -0.087 29.634 29.700 0.035 0.000 0.795 188 E HN 0.627 nan 8.360 nan 0.000 0.504 189 A N 1.204 124.101 122.820 0.128 0.000 1.975 189 A HA -0.075 4.246 4.320 0.001 0.000 0.215 189 A C 1.996 179.701 177.584 0.201 0.000 1.170 189 A CA 0.720 52.911 52.037 0.256 0.000 0.656 189 A CB -0.057 19.053 19.000 0.184 0.000 0.821 189 A HN -0.014 nan 8.150 nan 0.000 0.449 190 K N -0.051 120.408 120.400 0.098 0.000 2.155 190 K HA 0.019 4.340 4.320 0.001 0.000 0.203 190 K C 2.079 178.688 176.600 0.015 0.000 1.052 190 K CA 0.930 57.255 56.287 0.062 0.000 0.948 190 K CB -0.224 32.302 32.500 0.042 0.000 0.728 190 K HN 0.354 nan 8.250 nan 0.000 0.448 191 A N 0.969 123.782 122.820 -0.013 0.000 1.877 191 A HA -0.100 4.221 4.320 0.001 0.000 0.216 191 A C 2.186 179.692 177.584 -0.131 0.000 1.186 191 A CA 2.029 54.031 52.037 -0.058 0.000 0.620 191 A CB -0.510 18.456 19.000 -0.057 0.000 0.822 191 A HN 0.450 nan 8.150 nan 0.000 0.443 192 A N -1.564 121.102 122.820 -0.257 0.000 1.909 192 A HA 0.401 4.722 4.320 0.001 0.000 0.210 192 A C 1.609 178.917 177.584 -0.461 0.000 1.273 192 A CA 0.816 52.547 52.037 -0.510 0.000 0.654 192 A CB -0.401 18.010 19.000 -0.982 0.000 0.945 192 A HN 0.439 nan 8.150 nan 0.000 0.471 193 F N 0.560 120.515 119.950 0.009 0.000 2.765 193 F HA 0.208 4.736 4.527 0.001 0.000 0.302 193 F C 1.469 177.280 175.800 0.017 0.000 1.111 193 F CA 0.591 58.600 58.000 0.014 0.000 1.359 193 F CB 0.036 39.046 39.000 0.016 0.000 1.097 193 F HN 0.136 nan 8.300 nan 0.000 0.577 194 S N -0.163 115.607 115.700 0.118 0.000 3.017 194 S HA -0.303 4.168 4.470 0.001 0.000 0.283 194 S C 0.229 174.887 174.600 0.098 0.000 1.304 194 S CA 1.220 59.469 58.200 0.082 0.000 1.224 194 S CB -1.584 61.650 63.200 0.056 0.000 1.480 194 S HN 0.550 nan 8.310 nan 0.000 0.698 195 N N 2.055 120.840 118.700 0.142 0.000 2.476 195 N HA 0.298 5.039 4.740 0.001 0.000 0.257 195 N C -0.094 175.483 175.510 0.110 0.000 0.970 195 N CA -0.520 52.596 53.050 0.111 0.000 0.938 195 N CB 0.975 39.523 38.487 0.102 0.000 1.144 195 N HN 0.295 nan 8.380 nan 0.000 0.500 196 D N 2.917 123.365 120.400 0.080 0.000 2.336 196 D HA -0.023 4.618 4.640 0.001 0.000 0.228 196 D C 0.290 176.627 176.300 0.062 0.000 1.120 196 D CA -0.175 53.868 54.000 0.071 0.000 0.839 196 D CB -0.070 40.762 40.800 0.054 0.000 0.932 196 D HN 0.432 nan 8.370 nan 0.000 0.509 197 M N 1.876 121.517 119.600 0.068 0.000 2.219 197 M HA 0.179 4.659 4.480 0.001 0.000 0.353 197 M C -0.681 175.674 176.300 0.091 0.000 1.304 197 M CA -0.241 55.104 55.300 0.075 0.000 1.115 197 M CB 1.006 33.651 32.600 0.075 0.000 1.664 197 M HN -0.029 nan 8.290 nan 0.000 0.459 198 V N 3.507 123.476 119.914 0.093 0.000 2.962 198 V HA 0.787 4.908 4.120 0.001 0.000 0.313 198 V C -1.469 174.713 176.094 0.146 0.000 1.099 198 V CA -0.856 61.484 62.300 0.067 0.000 0.971 198 V CB 1.582 33.400 31.823 -0.008 0.000 1.028 198 V HN 0.902 nan 8.190 nan 0.000 0.430 199 Y N 0.987 121.290 120.300 0.005 0.000 2.609 199 Y HA 0.858 5.409 4.550 0.001 0.000 0.342 199 Y C -0.731 175.175 175.900 0.010 0.000 1.058 199 Y CA -1.661 56.445 58.100 0.009 0.000 1.055 199 Y CB 2.220 40.688 38.460 0.012 0.000 1.292 199 Y HN 0.879 nan 8.280 nan 0.000 0.476 200 M N 2.830 122.508 119.600 0.130 0.000 2.383 200 M HA 0.499 4.980 4.480 0.001 0.000 0.325 200 M C -1.567 174.808 176.300 0.125 0.000 1.092 200 M CA -0.280 55.045 55.300 0.041 0.000 0.961 200 M CB 2.049 34.660 32.600 0.017 0.000 1.672 200 M HN 1.006 nan 8.290 nan 0.000 0.438 201 E N 2.605 122.852 120.200 0.079 0.000 2.429 201 E HA 0.407 4.757 4.350 0.001 0.000 0.276 201 E C -1.646 174.982 176.600 0.046 0.000 0.953 201 E CA -1.244 55.212 56.400 0.094 0.000 0.787 201 E CB 1.827 31.624 29.700 0.162 0.000 1.307 201 E HN 0.558 nan 8.360 nan 0.000 0.458 202 K N 1.029 121.441 120.400 0.019 0.000 2.401 202 K HA 0.019 4.339 4.320 0.001 0.000 0.278 202 K C -1.195 175.423 176.600 0.031 0.000 1.018 202 K CA -0.281 56.006 56.287 -0.000 0.000 0.981 202 K CB 0.329 32.798 32.500 -0.052 0.000 0.933 202 K HN 0.538 nan 8.250 nan 0.000 0.477 203 Y N 5.782 126.056 120.300 -0.044 0.000 2.486 203 Y HA 0.156 4.707 4.550 0.001 0.000 0.348 203 Y C -0.623 175.253 175.900 -0.039 0.000 1.000 203 Y CA -0.364 57.722 58.100 -0.023 0.000 1.253 203 Y CB 0.322 38.788 38.460 0.011 0.000 1.140 203 Y HN 0.421 nan 8.280 nan 0.000 0.526 204 L N 7.202 128.138 121.223 -0.478 0.000 2.315 204 L HA 0.150 4.490 4.340 0.001 0.000 0.283 204 L C 1.236 177.796 176.870 -0.516 0.000 1.089 204 L CA -0.296 54.299 54.840 -0.409 0.000 0.833 204 L CB 0.885 42.733 42.059 -0.352 0.000 1.170 204 L HN 0.688 nan 8.230 nan 0.000 0.442 205 E N 2.446 122.505 120.200 -0.235 0.000 2.047 205 E HA -0.125 4.226 4.350 0.001 0.000 0.191 205 E C 0.155 176.788 176.600 0.055 0.000 0.987 205 E CA 1.404 57.764 56.400 -0.066 0.000 0.799 205 E CB 0.100 29.829 29.700 0.049 0.000 0.752 205 E HN 0.654 nan 8.360 nan 0.000 0.449 206 N N 0.829 119.553 118.700 0.040 0.000 2.703 206 N HA 0.152 4.892 4.740 0.001 0.000 0.283 206 N C -2.670 172.861 175.510 0.034 0.000 1.851 206 N CA -0.711 52.413 53.050 0.125 0.000 0.826 206 N CB 1.633 40.193 38.487 0.122 0.000 1.239 206 N HN 0.055 nan 8.380 nan 0.000 0.495 207 P HA 0.327 nan 4.420 nan 0.000 0.281 207 P C -0.538 176.790 177.300 0.047 0.000 1.281 207 P CA -0.456 62.642 63.100 -0.003 0.000 0.811 207 P CB 1.513 33.204 31.700 -0.015 0.000 1.154 208 R N -0.880 119.701 120.500 0.135 0.000 2.598 208 R HA 0.348 4.688 4.340 0.001 0.000 0.279 208 R C 0.314 176.766 176.300 0.253 0.000 0.984 208 R CA -0.613 55.599 56.100 0.186 0.000 0.999 208 R CB 0.745 31.186 30.300 0.235 0.000 1.114 208 R HN 0.602 nan 8.270 nan 0.000 0.493 209 H N 2.584 121.724 119.070 0.116 0.000 2.741 209 H HA 0.279 4.835 4.556 0.001 0.000 0.282 209 H C -1.256 174.169 175.328 0.163 0.000 1.122 209 H CA -0.406 55.721 56.048 0.131 0.000 1.293 209 H CB 0.557 30.363 29.762 0.074 0.000 1.415 209 H HN 0.139 nan 8.280 nan 0.000 0.472 210 V N 6.566 126.497 119.914 0.029 0.000 2.487 210 V HA 0.197 4.317 4.120 0.001 0.000 0.298 210 V C -0.325 175.837 176.094 0.112 0.000 1.028 210 V CA -0.776 61.567 62.300 0.073 0.000 0.860 210 V CB 1.752 33.670 31.823 0.158 0.000 0.991 210 V HN 0.810 nan 8.190 nan 0.000 0.427 211 E N 5.247 125.472 120.200 0.042 0.000 2.288 211 E HA 0.664 5.015 4.350 0.001 0.000 0.268 211 E C -1.553 175.132 176.600 0.143 0.000 0.885 211 E CA -0.982 55.489 56.400 0.119 0.000 0.767 211 E CB 2.626 32.319 29.700 -0.012 0.000 1.220 211 E HN 0.374 nan 8.360 nan 0.000 0.427 212 I N 2.283 122.997 120.570 0.241 0.000 2.336 212 I HA 0.166 4.336 4.170 0.001 0.000 0.292 212 I C -0.049 176.202 176.117 0.223 0.000 0.991 212 I CA -0.696 60.714 61.300 0.183 0.000 1.227 212 I CB 1.063 39.143 38.000 0.134 0.000 1.366 212 I HN 0.708 nan 8.210 nan 0.000 0.466 213 Q N 6.131 126.028 119.800 0.163 0.000 2.286 213 Q HA 0.486 4.827 4.340 0.001 0.000 0.257 213 Q C -0.866 175.247 176.000 0.188 0.000 0.941 213 Q CA -0.231 55.665 55.803 0.155 0.000 0.912 213 Q CB 1.207 30.016 28.738 0.118 0.000 1.192 213 Q HN 0.542 nan 8.270 nan 0.000 0.410 214 V N 1.940 121.968 119.914 0.191 0.000 2.914 214 V HA 0.742 4.863 4.120 0.001 0.000 0.314 214 V C -1.027 175.169 176.094 0.170 0.000 1.084 214 V CA -1.026 61.396 62.300 0.203 0.000 0.963 214 V CB 1.989 33.986 31.823 0.291 0.000 1.025 214 V HN 0.744 nan 8.190 nan 0.000 0.432 215 L N 2.865 124.180 121.223 0.152 0.000 2.409 215 L HA 0.933 5.274 4.340 0.001 0.000 0.272 215 L C -0.141 176.816 176.870 0.146 0.000 0.980 215 L CA -0.616 54.306 54.840 0.137 0.000 0.826 215 L CB 1.963 44.065 42.059 0.072 0.000 1.268 215 L HN 1.083 nan 8.230 nan 0.000 0.407 216 A N 1.116 124.039 122.820 0.172 0.000 2.449 216 A HA 0.575 4.895 4.320 0.001 0.000 0.302 216 A C -0.345 177.272 177.584 0.056 0.000 1.048 216 A CA -0.596 51.523 52.037 0.138 0.000 0.708 216 A CB 1.319 20.463 19.000 0.241 0.000 1.274 216 A HN 0.795 nan 8.150 nan 0.000 0.410 217 D N 0.677 121.095 120.400 0.029 0.000 2.349 217 D HA 0.274 4.914 4.640 0.001 0.000 0.215 217 D C 1.125 177.414 176.300 -0.018 0.000 1.016 217 D CA 0.889 54.888 54.000 -0.003 0.000 0.870 217 D CB 0.020 40.819 40.800 -0.002 0.000 0.917 217 D HN 1.655 nan 8.370 nan 0.000 0.524 218 G N 0.323 109.119 108.800 -0.008 0.000 2.147 218 G HA2 -0.335 3.625 3.960 0.001 0.000 0.244 218 G HA3 -0.335 3.625 3.960 0.001 0.000 0.244 218 G C 0.533 175.429 174.900 -0.007 0.000 1.005 218 G CA 0.372 45.461 45.100 -0.018 0.000 0.713 218 G HN 0.467 nan 8.290 nan 0.000 0.515 219 Q N -1.448 118.353 119.800 0.002 0.000 2.118 219 Q HA 0.453 4.794 4.340 0.001 0.000 0.219 219 Q C 1.628 177.631 176.000 0.006 0.000 0.794 219 Q CA 0.464 56.268 55.803 0.001 0.000 1.035 219 Q CB 1.255 29.991 28.738 -0.003 0.000 1.177 219 Q HN 1.382 nan 8.270 nan 0.000 0.478 220 G N 1.090 109.899 108.800 0.015 0.000 2.231 220 G HA2 -0.174 3.786 3.960 0.001 0.000 0.206 220 G HA3 -0.174 3.786 3.960 0.001 0.000 0.206 220 G C -0.170 174.742 174.900 0.021 0.000 0.996 220 G CA -0.599 44.511 45.100 0.017 0.000 0.645 220 G HN 0.238 nan 8.290 nan 0.000 0.498 221 N N 1.207 119.920 118.700 0.022 0.000 2.408 221 N HA 0.669 5.409 4.740 0.001 0.000 0.280 221 N C -0.271 175.264 175.510 0.043 0.000 1.002 221 N CA 0.584 53.648 53.050 0.022 0.000 0.907 221 N CB 1.948 40.441 38.487 0.010 0.000 1.161 221 N HN 0.828 nan 8.380 nan 0.000 0.488 222 A N 2.195 125.043 122.820 0.047 0.000 2.455 222 A HA 0.734 5.054 4.320 0.001 0.000 0.300 222 A C -0.447 177.170 177.584 0.056 0.000 1.040 222 A CA -0.777 51.306 52.037 0.076 0.000 0.697 222 A CB 1.093 20.157 19.000 0.108 0.000 1.265 222 A HN 0.706 nan 8.150 nan 0.000 0.407 223 I N -0.750 119.853 120.570 0.055 0.000 2.892 223 I HA 0.865 5.035 4.170 0.001 0.000 0.306 223 I C -0.855 175.304 176.117 0.070 0.000 1.078 223 I CA -1.208 60.093 61.300 0.001 0.000 1.032 223 I CB 2.065 40.012 38.000 -0.088 0.000 1.229 223 I HN 0.740 nan 8.210 nan 0.000 0.435 224 Y N 2.774 123.062 120.300 -0.020 0.000 2.387 224 Y HA 0.795 5.346 4.550 0.001 0.000 0.336 224 Y C -1.113 174.775 175.900 -0.020 0.000 1.067 224 Y CA -1.511 56.578 58.100 -0.017 0.000 1.114 224 Y CB 1.329 39.753 38.460 -0.059 0.000 1.208 224 Y HN 0.483 nan 8.280 nan 0.000 0.458 225 L N 4.861 126.149 121.223 0.109 0.000 2.784 225 L HA 0.685 5.026 4.340 0.001 0.000 0.241 225 L C 0.589 177.515 176.870 0.094 0.000 1.352 225 L CA 0.134 54.994 54.840 0.035 0.000 0.911 225 L CB -0.163 41.913 42.059 0.028 0.000 1.227 225 L HN 1.157 nan 8.230 nan 0.000 0.501 226 A N 0.697 123.622 122.820 0.176 0.000 6.082 226 A HA -0.131 4.189 4.320 0.001 0.000 0.269 226 A C 0.282 177.911 177.584 0.075 0.000 2.078 226 A CA 1.233 53.349 52.037 0.131 0.000 0.711 226 A CB -0.627 18.412 19.000 0.065 0.000 1.114 226 A HN 0.630 nan 8.150 nan 0.000 0.371 227 E N 0.412 120.629 120.200 0.027 0.000 2.410 227 E HA 0.791 5.141 4.350 0.001 0.000 0.269 227 E C -0.749 175.854 176.600 0.005 0.000 0.937 227 E CA -0.904 55.503 56.400 0.012 0.000 0.793 227 E CB 1.336 31.024 29.700 -0.020 0.000 1.314 227 E HN 0.775 nan 8.360 nan 0.000 0.447 228 R N 0.593 121.103 120.500 0.016 0.000 2.621 228 R HA 0.334 4.674 4.340 0.001 0.000 0.292 228 R C -0.984 175.329 176.300 0.020 0.000 0.969 228 R CA -0.848 55.260 56.100 0.013 0.000 0.887 228 R CB 1.581 31.898 30.300 0.028 0.000 1.180 228 R HN 0.503 nan 8.270 nan 0.000 0.450 229 D N 2.037 122.458 120.400 0.035 0.000 2.313 229 D HA 0.150 4.790 4.640 0.001 0.000 0.239 229 D C -0.346 176.022 176.300 0.113 0.000 1.142 229 D CA -0.271 53.769 54.000 0.068 0.000 0.847 229 D CB 1.094 41.936 40.800 0.071 0.000 1.082 229 D HN 0.561 nan 8.370 nan 0.000 0.480 230 C N 2.896 122.292 119.300 0.159 0.000 2.741 230 C HA 0.191 4.651 4.460 0.001 0.000 0.267 230 C C 1.909 177.040 174.990 0.234 0.000 1.549 230 C CA -0.475 58.675 59.018 0.219 0.000 1.772 230 C CB -1.116 26.808 27.740 0.306 0.000 2.962 230 C HN 0.532 nan 8.230 nan 0.000 0.514 231 S N 0.938 116.753 115.700 0.192 0.000 2.428 231 S HA -0.037 4.434 4.470 0.001 0.000 0.230 231 S C 0.871 175.530 174.600 0.097 0.000 1.014 231 S CA 0.664 58.951 58.200 0.145 0.000 0.957 231 S CB -0.175 63.108 63.200 0.139 0.000 0.784 231 S HN 0.659 nan 8.310 nan 0.000 0.499 232 M N 3.255 122.927 119.600 0.120 0.000 2.538 232 M HA 0.158 4.638 4.480 0.001 0.000 0.327 232 M C -0.465 175.858 176.300 0.039 0.000 1.545 232 M CA 0.051 55.413 55.300 0.103 0.000 1.380 232 M CB -0.455 32.213 32.600 0.114 0.000 1.657 232 M HN 0.229 nan 8.290 nan 0.000 0.459 233 Q N 2.754 122.554 119.800 0.000 0.000 2.565 233 Q HA 0.716 5.057 4.340 0.001 0.000 0.294 233 Q C -1.324 174.613 176.000 -0.104 0.000 1.005 233 Q CA -1.055 54.713 55.803 -0.059 0.000 0.771 233 Q CB 1.420 30.106 28.738 -0.086 0.000 1.486 233 Q HN 0.584 nan 8.270 nan 0.000 0.422 234 R N 0.518 120.928 120.500 -0.151 0.000 2.522 234 R HA 0.465 4.806 4.340 0.001 0.000 0.283 234 R C -0.903 175.273 176.300 -0.207 0.000 1.074 234 R CA -0.478 55.498 56.100 -0.206 0.000 0.925 234 R CB 0.998 31.115 30.300 -0.305 0.000 1.205 234 R HN 0.816 nan 8.270 nan 0.000 0.436 235 R N 4.446 124.816 120.500 -0.217 0.000 3.322 235 R HA -0.198 4.143 4.340 0.001 0.000 0.253 235 R C -0.624 175.633 176.300 -0.070 0.000 0.987 235 R CA 1.194 57.196 56.100 -0.163 0.000 0.666 235 R CB -1.825 28.421 30.300 -0.090 0.000 1.072 235 R HN 0.947 nan 8.270 nan 0.000 0.447 236 H N -2.621 116.406 119.070 -0.072 0.000 2.958 236 H HA -0.157 4.400 4.556 0.001 0.000 0.274 236 H C -0.267 175.009 175.328 -0.087 0.000 1.184 236 H CA 1.350 57.348 56.048 -0.082 0.000 1.143 236 H CB -0.714 29.013 29.762 -0.058 0.000 1.297 236 H HN 0.466 nan 8.280 nan 0.000 0.356 237 Q N 1.129 120.909 119.800 -0.033 0.000 2.357 237 Q HA 0.328 4.669 4.340 0.001 0.000 0.266 237 Q C 0.316 176.280 176.000 -0.060 0.000 1.021 237 Q CA -0.547 55.230 55.803 -0.044 0.000 0.784 237 Q CB 1.979 30.683 28.738 -0.056 0.000 1.243 237 Q HN 0.275 nan 8.270 nan 0.000 0.465 238 K N 0.934 121.310 120.400 -0.041 0.000 2.436 238 K HA 0.111 4.432 4.320 0.001 0.000 0.275 238 K C 0.697 177.287 176.600 -0.018 0.000 0.999 238 K CA -0.030 56.244 56.287 -0.021 0.000 0.980 238 K CB 0.931 33.433 32.500 0.003 0.000 0.919 238 K HN 0.283 nan 8.250 nan 0.000 0.484 239 V N 1.881 121.791 119.914 -0.007 0.000 2.996 239 V HA 0.042 4.163 4.120 0.001 0.000 0.235 239 V C -0.016 176.083 176.094 0.009 0.000 1.205 239 V CA 0.141 62.440 62.300 -0.001 0.000 1.225 239 V CB 1.108 32.925 31.823 -0.011 0.000 0.995 239 V HN 0.447 nan 8.190 nan 0.000 0.484 240 V N 1.115 121.038 119.914 0.016 0.000 2.656 240 V HA 0.647 4.767 4.120 0.001 0.000 0.307 240 V C -1.088 175.054 176.094 0.079 0.000 1.051 240 V CA -0.555 61.764 62.300 0.032 0.000 0.893 240 V CB 1.961 33.771 31.823 -0.022 0.000 0.999 240 V HN 0.462 nan 8.190 nan 0.000 0.426 241 E N 2.280 122.533 120.200 0.089 0.000 2.369 241 E HA 0.760 5.110 4.350 0.001 0.000 0.270 241 E C -1.136 175.534 176.600 0.116 0.000 0.909 241 E CA -0.883 55.577 56.400 0.100 0.000 0.775 241 E CB 2.550 32.288 29.700 0.064 0.000 1.270 241 E HN 0.885 nan 8.360 nan 0.000 0.445 242 E N -0.035 120.228 120.200 0.104 0.000 2.372 242 E HA 0.812 5.163 4.350 0.001 0.000 0.279 242 E C -1.644 174.933 176.600 -0.037 0.000 0.946 242 E CA -1.431 55.016 56.400 0.079 0.000 0.769 242 E CB 1.796 31.624 29.700 0.213 0.000 1.230 242 E HN 0.446 nan 8.360 nan 0.000 0.442 243 A N 2.722 125.432 122.820 -0.183 0.000 2.374 243 A HA 0.723 5.044 4.320 0.001 0.000 0.305 243 A C -2.678 174.546 177.584 -0.599 0.000 1.053 243 A CA -1.663 50.225 52.037 -0.248 0.000 0.726 243 A CB 1.415 20.354 19.000 -0.102 0.000 1.229 243 A HN 0.539 nan 8.150 nan 0.000 0.431 244 P HA 0.407 nan 4.420 nan 0.000 0.289 244 P C -0.102 177.129 177.300 -0.115 0.000 1.299 244 P CA -0.196 62.790 63.100 -0.189 0.000 0.766 244 P CB 0.748 32.400 31.700 -0.080 0.000 1.226 245 A N 0.625 123.416 122.820 -0.047 0.000 2.409 245 A HA 0.453 4.774 4.320 0.001 0.000 0.267 245 A C -2.153 175.423 177.584 -0.013 0.000 1.127 245 A CA -1.412 50.610 52.037 -0.024 0.000 0.795 245 A CB -1.330 17.626 19.000 -0.073 0.000 1.061 245 A HN 0.347 nan 8.150 nan 0.000 0.502 246 P HA 0.299 nan 4.420 nan 0.000 0.268 246 P C 1.120 178.379 177.300 -0.069 0.000 1.204 246 P CA 1.641 64.718 63.100 -0.037 0.000 0.768 246 P CB 0.871 32.509 31.700 -0.103 0.000 0.842 247 G N 2.711 111.471 108.800 -0.067 0.000 2.258 247 G HA2 -0.201 3.760 3.960 0.001 0.000 0.233 247 G HA3 -0.201 3.760 3.960 0.001 0.000 0.233 247 G C 0.138 175.003 174.900 -0.058 0.000 1.006 247 G CA -0.491 44.579 45.100 -0.049 0.000 0.620 247 G HN 0.470 nan 8.290 nan 0.000 0.511 248 I N 3.497 124.005 120.570 -0.104 0.000 2.452 248 I HA 0.298 4.469 4.170 0.001 0.000 0.287 248 I C 1.414 177.507 176.117 -0.041 0.000 1.079 248 I CA 0.407 61.638 61.300 -0.115 0.000 1.387 248 I CB 0.062 37.974 38.000 -0.146 0.000 1.404 248 I HN 0.385 nan 8.210 nan 0.000 0.522 249 T N 4.684 119.228 114.554 -0.018 0.000 2.899 249 T HA 0.325 4.676 4.350 0.001 0.000 0.284 249 T C -1.751 172.958 174.700 0.016 0.000 1.004 249 T CA -1.696 60.405 62.100 0.002 0.000 1.043 249 T CB 1.261 70.133 68.868 0.006 0.000 1.013 249 T HN 0.297 nan 8.240 nan 0.000 0.518 250 P HA -0.167 nan 4.420 nan 0.000 0.216 250 P C 1.613 178.941 177.300 0.047 0.000 1.150 250 P CA 1.079 64.205 63.100 0.042 0.000 0.843 250 P CB 0.091 31.817 31.700 0.044 0.000 0.787 251 E N -0.598 119.625 120.200 0.039 0.000 2.112 251 E HA -0.108 4.242 4.350 0.001 0.000 0.190 251 E C 1.996 178.630 176.600 0.057 0.000 0.979 251 E CA 0.799 57.226 56.400 0.045 0.000 0.814 251 E CB -1.366 28.353 29.700 0.032 0.000 0.762 251 E HN 0.199 nan 8.360 nan 0.000 0.460 252 L N 1.642 122.893 121.223 0.045 0.000 2.141 252 L HA -0.061 4.279 4.340 0.001 0.000 0.209 252 L C 2.726 179.639 176.870 0.072 0.000 1.094 252 L CA 1.552 56.440 54.840 0.080 0.000 0.763 252 L CB -0.466 41.646 42.059 0.087 0.000 0.908 252 L HN 0.026 nan 8.230 nan 0.000 0.437 253 R N -0.191 120.316 120.500 0.012 0.000 2.066 253 R HA -0.183 4.157 4.340 0.001 0.000 0.232 253 R C 2.484 178.674 176.300 -0.183 0.000 1.131 253 R CA 1.630 57.689 56.100 -0.069 0.000 0.955 253 R CB -0.212 30.092 30.300 0.006 0.000 0.851 253 R HN 0.511 nan 8.270 nan 0.000 0.432 254 R N -1.126 119.331 120.500 -0.071 0.000 2.115 254 R HA -0.170 4.170 4.340 0.001 0.000 0.230 254 R C 2.112 178.269 176.300 -0.237 0.000 1.111 254 R CA 1.481 57.502 56.100 -0.131 0.000 0.976 254 R CB -1.045 29.301 30.300 0.077 0.000 0.870 254 R HN 0.292 nan 8.270 nan 0.000 0.445 255 Y N 1.344 121.510 120.300 -0.224 0.000 2.053 255 Y HA -0.261 4.289 4.550 0.001 0.000 0.277 255 Y C 2.066 177.752 175.900 -0.357 0.000 1.159 255 Y CA 2.009 59.979 58.100 -0.218 0.000 1.125 255 Y CB -0.210 38.176 38.460 -0.123 0.000 0.969 255 Y HN 0.116 nan 8.280 nan 0.000 0.492 256 I N 0.483 120.845 120.570 -0.347 0.000 2.500 256 I HA -0.001 4.170 4.170 0.001 0.000 0.252 256 I C 2.418 178.076 176.117 -0.764 0.000 1.142 256 I CA 1.496 62.387 61.300 -0.681 0.000 1.451 256 I CB -0.932 36.314 38.000 -1.257 0.000 1.093 256 I HN 0.340 nan 8.210 nan 0.000 0.430 257 G N -0.376 107.884 108.800 -0.900 0.000 2.421 257 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 257 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 257 G C 1.574 175.826 174.900 -1.080 0.000 1.171 257 G CA 0.680 44.950 45.100 -1.385 0.000 0.775 257 G HN 0.443 nan 8.290 nan 0.000 0.543 258 E N -0.081 119.633 120.200 -0.809 0.000 2.150 258 E HA -0.054 4.296 4.350 0.001 0.000 0.193 258 E C 2.726 179.128 176.600 -0.330 0.000 0.985 258 E CA 0.459 56.656 56.400 -0.338 0.000 0.814 258 E CB -0.032 29.534 29.700 -0.223 0.000 0.752 258 E HN 0.299 nan 8.360 nan 0.000 0.466 259 R N -0.179 120.049 120.500 -0.454 0.000 2.092 259 R HA -0.066 4.274 4.340 0.001 0.000 0.231 259 R C 2.387 178.424 176.300 -0.437 0.000 1.119 259 R CA 1.168 57.019 56.100 -0.415 0.000 0.970 259 R CB -0.253 29.765 30.300 -0.469 0.000 0.864 259 R HN 0.225 nan 8.270 nan 0.000 0.440 260 C N -0.223 118.741 119.300 -0.560 0.000 2.432 260 C HA -0.040 4.421 4.460 0.001 0.000 0.277 260 C C 2.859 177.571 174.990 -0.463 0.000 1.249 260 C CA 0.798 59.303 59.018 -0.855 0.000 1.725 260 C CB -0.893 26.328 27.740 -0.864 0.000 2.028 260 C HN 0.608 nan 8.230 nan 0.000 0.477 261 A N 0.367 123.061 122.820 -0.211 0.000 1.902 261 A HA -0.239 4.082 4.320 0.001 0.000 0.217 261 A C 2.242 179.800 177.584 -0.043 0.000 1.181 261 A CA 2.047 54.069 52.037 -0.025 0.000 0.623 261 A CB -0.605 18.446 19.000 0.084 0.000 0.818 261 A HN 0.686 nan 8.150 nan 0.000 0.443 262 K N -0.307 120.027 120.400 -0.109 0.000 2.026 262 K HA -0.108 4.213 4.320 0.001 0.000 0.208 262 K C 2.183 178.736 176.600 -0.078 0.000 1.048 262 K CA 1.235 57.467 56.287 -0.091 0.000 0.929 262 K CB -0.353 32.070 32.500 -0.129 0.000 0.713 262 K HN 0.361 nan 8.250 nan 0.000 0.439 263 A N 0.977 123.715 122.820 -0.136 0.000 1.940 263 A HA -0.204 4.116 4.320 0.001 0.000 0.219 263 A C 2.455 180.069 177.584 0.051 0.000 1.176 263 A CA 1.801 53.788 52.037 -0.083 0.000 0.631 263 A CB -1.059 17.827 19.000 -0.189 0.000 0.814 263 A HN 0.579 nan 8.150 nan 0.000 0.446 264 C N -1.394 117.969 119.300 0.105 0.000 2.429 264 C HA -0.072 4.389 4.460 0.001 0.000 0.277 264 C C 2.738 177.819 174.990 0.151 0.000 1.262 264 C CA 1.060 60.195 59.018 0.194 0.000 1.733 264 C CB -1.319 26.557 27.740 0.227 0.000 2.010 264 C HN 0.475 nan 8.230 nan 0.000 0.483 265 V N 1.347 121.311 119.914 0.083 0.000 2.261 265 V HA -0.212 3.909 4.120 0.001 0.000 0.246 265 V C 2.095 178.216 176.094 0.044 0.000 1.047 265 V CA 2.379 64.713 62.300 0.056 0.000 1.015 265 V CB -0.787 31.051 31.823 0.025 0.000 0.642 265 V HN 0.445 nan 8.190 nan 0.000 0.446 266 D N 0.420 120.836 120.400 0.026 0.000 2.149 266 D HA -0.148 4.492 4.640 0.001 0.000 0.198 266 D C 1.756 178.074 176.300 0.029 0.000 0.990 266 D CA 1.879 55.888 54.000 0.013 0.000 0.839 266 D CB -0.252 40.541 40.800 -0.010 0.000 0.948 266 D HN 0.692 nan 8.370 nan 0.000 0.460 267 I N -4.026 116.579 120.570 0.059 0.000 3.875 267 I HA 0.354 4.524 4.170 0.001 0.000 0.329 267 I C 1.066 177.240 176.117 0.096 0.000 1.295 267 I CA 0.231 61.577 61.300 0.075 0.000 1.129 267 I CB -0.019 38.037 38.000 0.093 0.000 1.008 267 I HN -0.028 nan 8.210 nan 0.000 0.413 268 G N 1.665 110.519 108.800 0.090 0.000 2.273 268 G HA2 -0.366 3.594 3.960 0.001 0.000 0.280 268 G HA3 -0.366 3.594 3.960 0.001 0.000 0.280 268 G C 0.017 174.975 174.900 0.096 0.000 1.047 268 G CA 0.349 45.493 45.100 0.074 0.000 0.869 268 G HN 0.692 nan 8.290 nan 0.000 0.502 269 Y N 0.285 120.606 120.300 0.034 0.000 2.597 269 Y HA 0.408 4.959 4.550 0.001 0.000 0.336 269 Y C 0.972 176.891 175.900 0.032 0.000 1.216 269 Y CA 0.261 58.384 58.100 0.037 0.000 1.463 269 Y CB 0.513 39.008 38.460 0.058 0.000 1.303 269 Y HN 0.377 nan 8.280 nan 0.000 0.576 270 R N 4.155 124.241 120.500 -0.690 0.000 2.532 270 R HA 0.551 4.892 4.340 0.001 0.000 0.297 270 R C -0.304 175.680 176.300 -0.527 0.000 0.984 270 R CA 0.267 56.123 56.100 -0.407 0.000 0.884 270 R CB 1.105 31.262 30.300 -0.238 0.000 1.182 270 R HN 1.018 nan 8.270 nan 0.000 0.442 271 G N 2.052 110.728 108.800 -0.206 0.000 2.472 271 G HA2 0.006 3.966 3.960 0.001 0.000 0.205 271 G HA3 0.006 3.966 3.960 0.001 0.000 0.205 271 G C -1.121 173.835 174.900 0.095 0.000 1.270 271 G CA -0.407 44.633 45.100 -0.100 0.000 0.974 271 G HN 0.842 nan 8.290 nan 0.000 0.542 272 A N -0.341 122.544 122.820 0.107 0.000 2.327 272 A HA 0.941 5.261 4.320 0.001 0.000 0.283 272 A C 0.766 178.533 177.584 0.305 0.000 1.127 272 A CA 1.098 53.243 52.037 0.180 0.000 0.810 272 A CB 1.032 20.082 19.000 0.084 0.000 1.066 272 A HN 2.513 nan 8.150 nan 0.000 0.492 273 G N -0.374 108.553 108.800 0.211 0.000 2.684 273 G HA2 0.626 4.586 3.960 0.001 0.000 0.290 273 G HA3 0.626 4.586 3.960 0.001 0.000 0.290 273 G C -1.141 173.712 174.900 -0.079 0.000 1.425 273 G CA -0.402 44.695 45.100 -0.005 0.000 0.822 273 G HN 0.790 nan 8.290 nan 0.000 0.482 274 T N 0.568 115.006 114.554 -0.193 0.000 2.928 274 T HA 0.472 4.823 4.350 0.001 0.000 0.296 274 T C -1.296 173.271 174.700 -0.222 0.000 1.000 274 T CA -0.210 61.839 62.100 -0.086 0.000 0.989 274 T CB 1.050 69.920 68.868 0.003 0.000 1.005 274 T HN 0.293 nan 8.240 nan 0.000 0.442 275 F N 2.324 122.299 119.950 0.042 0.000 2.404 275 F HA 0.337 4.865 4.527 0.001 0.000 0.358 275 F C 1.122 176.905 175.800 -0.029 0.000 1.120 275 F CA -0.782 57.252 58.000 0.058 0.000 1.144 275 F CB 0.769 39.875 39.000 0.177 0.000 1.133 275 F HN 0.422 nan 8.300 nan 0.000 0.495 276 E N 3.889 124.027 120.200 -0.104 0.000 2.200 276 E HA 0.381 4.732 4.350 0.001 0.000 0.283 276 E C -1.181 175.222 176.600 -0.329 0.000 1.015 276 E CA -0.379 55.931 56.400 -0.151 0.000 0.819 276 E CB 1.198 30.845 29.700 -0.088 0.000 1.081 276 E HN 0.348 nan 8.360 nan 0.000 0.397 277 F N 1.665 121.653 119.950 0.063 0.000 2.546 277 F HA 0.361 4.889 4.527 0.001 0.000 0.320 277 F C -0.078 175.868 175.800 0.244 0.000 1.076 277 F CA -0.945 57.191 58.000 0.227 0.000 0.928 277 F CB 1.121 40.385 39.000 0.439 0.000 1.189 277 F HN 0.182 nan 8.300 nan 0.000 0.465 278 L N 3.153 124.662 121.223 0.478 0.000 2.290 278 L HA 0.309 4.650 4.340 0.001 0.000 0.284 278 L C -0.916 176.249 176.870 0.491 0.000 1.078 278 L CA -0.341 54.737 54.840 0.396 0.000 0.815 278 L CB 0.736 42.941 42.059 0.242 0.000 1.162 278 L HN 0.523 nan 8.230 nan 0.000 0.435 279 F N 4.087 124.139 119.950 0.171 0.000 2.375 279 F HA 0.448 4.975 4.527 0.001 0.000 0.361 279 F C -0.047 175.751 175.800 -0.004 0.000 1.117 279 F CA -0.195 57.782 58.000 -0.037 0.000 1.037 279 F CB 0.900 39.748 39.000 -0.253 0.000 1.192 279 F HN 0.468 nan 8.300 nan 0.000 0.452 280 E N 4.427 124.345 120.200 -0.470 0.000 2.331 280 E HA 0.246 4.597 4.350 0.001 0.000 0.275 280 E C -0.651 175.667 176.600 -0.470 0.000 0.895 280 E CA -0.746 55.434 56.400 -0.367 0.000 0.753 280 E CB 1.184 30.817 29.700 -0.112 0.000 1.216 280 E HN 0.693 nan 8.360 nan 0.000 0.434 281 N N 2.079 120.551 118.700 -0.380 0.000 2.716 281 N HA -0.245 4.495 4.740 0.001 0.000 0.250 281 N C 0.527 175.809 175.510 -0.380 0.000 1.033 281 N CA 1.488 54.370 53.050 -0.279 0.000 0.727 281 N CB -1.378 37.028 38.487 -0.134 0.000 0.950 281 N HN 0.942 nan 8.380 nan 0.000 0.541 282 G N -1.418 106.969 108.800 -0.688 0.000 2.155 282 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 282 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 282 G C -0.300 174.292 174.900 -0.513 0.000 0.983 282 G CA 0.721 45.523 45.100 -0.497 0.000 0.676 282 G HN 0.489 nan 8.290 nan 0.000 0.528 283 E N -0.702 119.034 120.200 -0.773 0.000 2.222 283 E HA 0.610 4.960 4.350 0.001 0.000 0.267 283 E C -0.606 175.616 176.600 -0.630 0.000 0.884 283 E CA -0.792 55.276 56.400 -0.553 0.000 0.764 283 E CB 1.280 30.698 29.700 -0.471 0.000 1.169 283 E HN 0.133 nan 8.360 nan 0.000 0.413 284 F N 1.596 121.383 119.950 -0.272 0.000 2.394 284 F HA 0.311 4.838 4.527 0.001 0.000 0.340 284 F C -0.169 175.514 175.800 -0.194 0.000 1.105 284 F CA -0.432 57.524 58.000 -0.074 0.000 1.124 284 F CB 0.775 39.645 39.000 -0.216 0.000 1.145 284 F HN 0.305 nan 8.300 nan 0.000 0.505 285 Y N 3.426 124.107 120.300 0.637 0.000 2.327 285 Y HA 0.250 4.801 4.550 0.001 0.000 0.325 285 Y C -0.413 175.783 175.900 0.492 0.000 0.999 285 Y CA -1.277 57.113 58.100 0.482 0.000 1.195 285 Y CB 1.029 39.637 38.460 0.246 0.000 1.132 285 Y HN 0.476 nan 8.280 nan 0.000 0.455 286 F N 5.508 125.665 119.950 0.346 0.000 2.578 286 F HA 0.220 4.747 4.527 0.001 0.000 0.376 286 F C 0.848 176.639 175.800 -0.015 0.000 1.085 286 F CA 0.137 58.037 58.000 -0.166 0.000 1.260 286 F CB 0.642 39.519 39.000 -0.205 0.000 1.095 286 F HN 0.566 nan 8.300 nan 0.000 0.573 287 I N 0.760 120.800 120.570 -0.884 0.000 3.812 287 I HA 0.369 4.540 4.170 0.001 0.000 0.292 287 I C -0.722 174.884 176.117 -0.852 0.000 1.206 287 I CA -0.104 60.848 61.300 -0.581 0.000 1.370 287 I CB 0.191 38.070 38.000 -0.202 0.000 1.328 287 I HN 0.569 nan 8.210 nan 0.000 0.453 288 E N 1.337 120.796 120.200 -1.234 0.000 2.396 288 E HA 0.403 4.754 4.350 0.001 0.000 0.280 288 E C -1.501 174.819 176.600 -0.466 0.000 1.065 288 E CA -0.870 55.085 56.400 -0.741 0.000 0.831 288 E CB 1.860 31.393 29.700 -0.278 0.000 1.272 288 E HN 0.143 nan 8.360 nan 0.000 0.443 289 M N 2.127 121.681 119.600 -0.077 0.000 2.268 289 M HA 0.384 4.864 4.480 0.001 0.000 0.344 289 M C -1.456 174.771 176.300 -0.122 0.000 1.106 289 M CA -0.743 54.480 55.300 -0.127 0.000 1.010 289 M CB 1.310 33.783 32.600 -0.211 0.000 1.649 289 M HN 0.454 nan 8.290 nan 0.000 0.443 290 N N 3.318 121.936 118.700 -0.136 0.000 2.439 290 N HA 0.190 4.931 4.740 0.001 0.000 0.249 290 N C -0.404 175.089 175.510 -0.029 0.000 1.003 290 N CA -0.072 52.949 53.050 -0.049 0.000 0.942 290 N CB 1.302 39.780 38.487 -0.015 0.000 1.115 290 N HN 0.592 nan 8.380 nan 0.000 0.505 291 T N 0.322 114.912 114.554 0.061 0.000 3.591 291 T HA 0.375 4.726 4.350 0.001 0.000 0.232 291 T C 0.453 175.284 174.700 0.218 0.000 1.116 291 T CA -0.627 61.593 62.100 0.201 0.000 1.063 291 T CB -0.492 68.525 68.868 0.249 0.000 1.227 291 T HN 0.696 nan 8.240 nan 0.000 0.685 292 R N -1.062 119.543 120.500 0.174 0.000 2.829 292 R HA 0.562 4.902 4.340 0.001 0.000 0.284 292 R C -1.589 174.787 176.300 0.128 0.000 1.006 292 R CA -1.215 54.972 56.100 0.146 0.000 0.844 292 R CB 0.173 30.571 30.300 0.165 0.000 1.309 292 R HN 0.118 nan 8.270 nan 0.000 0.494 293 I N 1.126 121.772 120.570 0.126 0.000 2.836 293 I HA 0.097 4.268 4.170 0.001 0.000 0.285 293 I C -0.270 175.959 176.117 0.187 0.000 1.174 293 I CA 0.497 61.863 61.300 0.111 0.000 1.405 293 I CB 0.885 38.904 38.000 0.031 0.000 1.385 293 I HN 0.479 nan 8.210 nan 0.000 0.594 294 Q N 3.854 123.759 119.800 0.175 0.000 2.351 294 Q HA 0.332 4.673 4.340 0.001 0.000 0.273 294 Q C 0.941 177.019 176.000 0.131 0.000 1.077 294 Q CA -0.899 54.965 55.803 0.102 0.000 0.843 294 Q CB 2.028 30.797 28.738 0.052 0.000 1.367 294 Q HN 0.533 nan 8.270 nan 0.000 0.449 295 V N 1.292 121.024 119.914 -0.303 0.000 2.250 295 V HA -0.318 3.803 4.120 0.001 0.000 0.253 295 V C 1.851 177.903 176.094 -0.070 0.000 1.065 295 V CA 2.470 64.584 62.300 -0.310 0.000 1.039 295 V CB -0.582 30.971 31.823 -0.451 0.000 0.647 295 V HN 0.864 nan 8.190 nan 0.000 0.446 296 E N 0.906 121.076 120.200 -0.050 0.000 2.445 296 E HA -0.160 4.191 4.350 0.001 0.000 0.189 296 E C 1.748 178.328 176.600 -0.034 0.000 1.069 296 E CA 0.574 56.946 56.400 -0.047 0.000 0.871 296 E CB -0.838 28.858 29.700 -0.008 0.000 0.991 296 E HN 0.930 nan 8.360 nan 0.000 0.481 297 H N 1.021 120.104 119.070 0.021 0.000 2.426 297 H HA 0.008 4.564 4.556 0.001 0.000 0.298 297 H C -0.966 174.380 175.328 0.031 0.000 1.107 297 H CA 1.035 57.104 56.048 0.036 0.000 1.298 297 H CB -1.590 28.205 29.762 0.054 0.000 1.377 297 H HN 0.171 nan 8.280 nan 0.000 0.519 298 P HA -0.138 nan 4.420 nan 0.000 0.218 298 P C 2.290 179.551 177.300 -0.065 0.000 1.148 298 P CA 1.901 64.858 63.100 -0.239 0.000 0.822 298 P CB -0.253 31.276 31.700 -0.285 0.000 0.784 299 V N -3.686 116.203 119.914 -0.043 0.000 2.490 299 V HA -0.208 3.912 4.120 0.001 0.000 0.250 299 V C 1.880 177.981 176.094 0.013 0.000 1.061 299 V CA 2.472 64.774 62.300 0.003 0.000 1.064 299 V CB -2.217 29.610 31.823 0.007 0.000 0.670 299 V HN 0.062 nan 8.190 nan 0.000 0.461 300 T N 0.506 115.074 114.554 0.023 0.000 2.812 300 T HA -0.100 4.250 4.350 0.001 0.000 0.264 300 T C 1.803 176.524 174.700 0.035 0.000 1.042 300 T CA 1.859 63.981 62.100 0.036 0.000 1.140 300 T CB -0.302 68.604 68.868 0.064 0.000 0.870 300 T HN 0.690 nan 8.240 nan 0.000 0.445 301 E N 0.929 121.155 120.200 0.044 0.000 2.085 301 E HA -0.124 4.226 4.350 0.001 0.000 0.194 301 E C 2.213 178.804 176.600 -0.015 0.000 0.994 301 E CA 1.010 57.428 56.400 0.030 0.000 0.801 301 E CB -0.184 29.549 29.700 0.055 0.000 0.743 301 E HN 0.338 nan 8.360 nan 0.000 0.453 302 M N 0.374 119.962 119.600 -0.021 0.000 2.159 302 M HA -0.115 4.366 4.480 0.001 0.000 0.263 302 M C 2.553 178.792 176.300 -0.102 0.000 1.063 302 M CA 1.319 56.567 55.300 -0.088 0.000 1.110 302 M CB -0.865 31.752 32.600 0.028 0.000 1.374 302 M HN 0.255 nan 8.290 nan 0.000 0.411 303 I N -2.719 117.869 120.570 0.031 0.000 3.427 303 I HA 0.016 4.187 4.170 0.001 0.000 0.288 303 I C 1.828 177.974 176.117 0.048 0.000 1.249 303 I CA 1.154 62.511 61.300 0.094 0.000 1.421 303 I CB -0.418 37.634 38.000 0.087 0.000 1.086 303 I HN 0.212 nan 8.210 nan 0.000 0.448 304 T N -3.235 111.327 114.554 0.014 0.000 3.000 304 T HA 0.438 4.788 4.350 0.001 0.000 0.248 304 T C 1.691 176.389 174.700 -0.004 0.000 1.034 304 T CA 0.573 62.679 62.100 0.009 0.000 1.060 304 T CB 0.456 69.323 68.868 -0.001 0.000 0.983 304 T HN 0.595 nan 8.240 nan 0.000 0.482 305 G N 1.035 109.821 108.800 -0.024 0.000 2.176 305 G HA2 -0.227 3.733 3.960 0.001 0.000 0.253 305 G HA3 -0.227 3.733 3.960 0.001 0.000 0.253 305 G C 0.080 174.973 174.900 -0.012 0.000 0.979 305 G CA -0.000 45.082 45.100 -0.029 0.000 0.641 305 G HN 0.724 nan 8.290 nan 0.000 0.530 306 V N 1.918 121.830 119.914 -0.003 0.000 2.488 306 V HA 0.357 4.478 4.120 0.001 0.000 0.277 306 V C 0.340 176.448 176.094 0.023 0.000 1.046 306 V CA -0.470 61.833 62.300 0.006 0.000 0.986 306 V CB 1.698 33.523 31.823 0.003 0.000 0.989 306 V HN 0.343 nan 8.190 nan 0.000 0.475 307 D N 4.541 124.954 120.400 0.022 0.000 2.352 307 D HA 0.175 4.816 4.640 0.001 0.000 0.245 307 D C 0.863 177.183 176.300 0.033 0.000 1.224 307 D CA 0.002 54.023 54.000 0.035 0.000 0.879 307 D CB 1.291 42.105 40.800 0.024 0.000 1.057 307 D HN 0.451 nan 8.370 nan 0.000 0.491 308 L N 4.145 125.398 121.223 0.050 0.000 2.179 308 L HA -0.100 4.240 4.340 0.001 0.000 0.208 308 L C 2.128 178.988 176.870 -0.015 0.000 1.096 308 L CA 0.301 55.155 54.840 0.023 0.000 0.779 308 L CB -0.040 42.044 42.059 0.042 0.000 0.922 308 L HN 0.513 nan 8.230 nan 0.000 0.443 309 I N 0.073 120.623 120.570 -0.034 0.000 2.286 309 I HA -0.219 3.952 4.170 0.001 0.000 0.245 309 I C 2.375 178.499 176.117 0.012 0.000 1.104 309 I CA 1.432 62.717 61.300 -0.025 0.000 1.397 309 I CB -0.871 37.091 38.000 -0.063 0.000 1.072 309 I HN 0.250 nan 8.210 nan 0.000 0.417 310 K N 0.585 120.990 120.400 0.008 0.000 2.057 310 K HA -0.171 4.149 4.320 0.001 0.000 0.207 310 K C 2.014 178.616 176.600 0.004 0.000 1.049 310 K CA 1.069 57.361 56.287 0.008 0.000 0.931 310 K CB 0.019 32.524 32.500 0.008 0.000 0.714 310 K HN 0.202 nan 8.250 nan 0.000 0.440 311 E N 1.056 121.258 120.200 0.003 0.000 2.077 311 E HA -0.204 4.147 4.350 0.001 0.000 0.193 311 E C 2.030 178.623 176.600 -0.011 0.000 0.989 311 E CA 1.202 57.602 56.400 -0.001 0.000 0.800 311 E CB -0.141 29.562 29.700 0.005 0.000 0.746 311 E HN 0.380 nan 8.360 nan 0.000 0.452 312 Q N 0.133 119.925 119.800 -0.013 0.000 2.077 312 Q HA -0.140 4.200 4.340 0.001 0.000 0.206 312 Q C 2.458 178.420 176.000 -0.063 0.000 0.989 312 Q CA 1.195 56.970 55.803 -0.047 0.000 0.853 312 Q CB -0.202 28.512 28.738 -0.040 0.000 0.907 312 Q HN 0.276 nan 8.270 nan 0.000 0.418 313 L N -0.167 121.041 121.223 -0.024 0.000 2.093 313 L HA -0.156 4.184 4.340 0.001 0.000 0.208 313 L C 2.484 179.340 176.870 -0.024 0.000 1.085 313 L CA 1.024 55.852 54.840 -0.020 0.000 0.755 313 L CB -0.295 41.770 42.059 0.011 0.000 0.904 313 L HN 0.126 nan 8.230 nan 0.000 0.435 314 R N 0.139 120.629 120.500 -0.017 0.000 2.075 314 R HA -0.105 4.236 4.340 0.001 0.000 0.232 314 R C 2.296 178.582 176.300 -0.023 0.000 1.126 314 R CA 1.354 57.444 56.100 -0.016 0.000 0.963 314 R CB -0.397 29.897 30.300 -0.010 0.000 0.858 314 R HN 0.292 nan 8.270 nan 0.000 0.435 315 I N 0.601 121.153 120.570 -0.030 0.000 2.226 315 I HA -0.237 3.933 4.170 0.001 0.000 0.245 315 I C 2.548 178.636 176.117 -0.048 0.000 1.100 315 I CA 1.185 62.463 61.300 -0.037 0.000 1.374 315 I CB -0.330 37.644 38.000 -0.043 0.000 1.057 315 I HN 0.186 nan 8.210 nan 0.000 0.413 316 A N 0.620 123.403 122.820 -0.063 0.000 1.972 316 A HA -0.057 4.263 4.320 0.001 0.000 0.219 316 A C 2.298 179.860 177.584 -0.037 0.000 1.169 316 A CA 1.582 53.579 52.037 -0.066 0.000 0.635 316 A CB -0.651 18.290 19.000 -0.098 0.000 0.810 316 A HN 0.416 nan 8.150 nan 0.000 0.446 317 A N -1.519 121.284 122.820 -0.028 0.000 2.276 317 A HA 0.418 4.738 4.320 0.001 0.000 0.212 317 A C 1.668 179.243 177.584 -0.016 0.000 1.230 317 A CA 1.069 53.096 52.037 -0.017 0.000 0.844 317 A CB -1.164 17.829 19.000 -0.011 0.000 0.860 317 A HN 1.863 nan 8.150 nan 0.000 0.486 318 G N -1.154 107.634 108.800 -0.020 0.000 2.136 318 G HA2 -0.257 3.704 3.960 0.001 0.000 0.242 318 G HA3 -0.257 3.704 3.960 0.001 0.000 0.242 318 G C 0.003 174.894 174.900 -0.015 0.000 0.989 318 G CA 0.315 45.404 45.100 -0.018 0.000 0.682 318 G HN 0.642 nan 8.290 nan 0.000 0.522 319 Q N 1.096 120.886 119.800 -0.015 0.000 2.267 319 Q HA 0.415 4.755 4.340 0.001 0.000 0.255 319 Q C -1.988 174.005 176.000 -0.012 0.000 0.923 319 Q CA -1.704 54.091 55.803 -0.012 0.000 0.925 319 Q CB 1.646 30.377 28.738 -0.011 0.000 1.195 319 Q HN 0.304 nan 8.270 nan 0.000 0.417 320 P HA 0.011 nan 4.420 nan 0.000 0.272 320 P C -0.494 176.801 177.300 -0.008 0.000 1.230 320 P CA -0.198 62.897 63.100 -0.008 0.000 0.788 320 P CB 0.737 32.433 31.700 -0.007 0.000 0.949 321 L N 1.623 122.843 121.223 -0.005 0.000 2.584 321 L HA -0.049 4.291 4.340 0.001 0.000 0.272 321 L C 1.851 178.714 176.870 -0.012 0.000 1.195 321 L CA 0.249 55.084 54.840 -0.007 0.000 0.920 321 L CB -0.152 41.904 42.059 -0.005 0.000 1.173 321 L HN 0.506 nan 8.230 nan 0.000 0.489 322 S N 3.017 118.709 115.700 -0.013 0.000 2.501 322 S HA 0.149 4.620 4.470 0.001 0.000 0.220 322 S C 0.576 175.163 174.600 -0.022 0.000 0.997 322 S CA -0.139 58.052 58.200 -0.015 0.000 0.919 322 S CB -0.108 63.085 63.200 -0.012 0.000 0.778 322 S HN 0.472 nan 8.310 nan 0.000 0.523 323 I N 2.163 122.716 120.570 -0.028 0.000 2.342 323 I HA 0.384 4.555 4.170 0.001 0.000 0.291 323 I C -0.119 175.964 176.117 -0.058 0.000 1.010 323 I CA -0.685 60.587 61.300 -0.045 0.000 1.308 323 I CB 1.095 39.064 38.000 -0.052 0.000 1.400 323 I HN -0.111 nan 8.210 nan 0.000 0.488 324 K N 3.593 123.951 120.400 -0.069 0.000 2.098 324 K HA 0.215 4.535 4.320 0.001 0.000 0.261 324 K C 0.584 177.103 176.600 -0.134 0.000 0.987 324 K CA -0.508 55.730 56.287 -0.081 0.000 0.916 324 K CB 0.910 33.374 32.500 -0.061 0.000 1.039 324 K HN 0.338 nan 8.250 nan 0.000 0.455 325 Q N 1.787 121.497 119.800 -0.149 0.000 2.181 325 Q HA -0.211 4.129 4.340 0.001 0.000 0.205 325 Q C 1.222 177.067 176.000 -0.258 0.000 0.980 325 Q CA 1.853 57.511 55.803 -0.242 0.000 0.862 325 Q CB 0.033 28.641 28.738 -0.217 0.000 0.905 325 Q HN 0.713 nan 8.270 nan 0.000 0.429 326 E N -0.413 119.684 120.200 -0.171 0.000 2.265 326 E HA -0.224 4.127 4.350 0.001 0.000 0.196 326 E C 1.018 177.469 176.600 -0.249 0.000 0.996 326 E CA 1.415 57.727 56.400 -0.147 0.000 0.832 326 E CB -0.146 29.520 29.700 -0.057 0.000 0.756 326 E HN 0.538 nan 8.360 nan 0.000 0.491 327 E N 0.702 120.749 120.200 -0.255 0.000 2.447 327 E HA 0.082 4.432 4.350 0.001 0.000 0.195 327 E C -0.168 176.168 176.600 -0.440 0.000 1.028 327 E CA -0.078 56.168 56.400 -0.257 0.000 0.876 327 E CB 0.909 30.543 29.700 -0.109 0.000 0.885 327 E HN 0.015 nan 8.360 nan 0.000 0.500 328 V N 1.881 121.495 119.914 -0.499 0.000 2.432 328 V HA 0.137 4.258 4.120 0.001 0.000 0.271 328 V C -0.568 175.205 176.094 -0.535 0.000 1.046 328 V CA -0.082 61.974 62.300 -0.408 0.000 0.945 328 V CB 0.310 31.929 31.823 -0.339 0.000 0.992 328 V HN 0.193 nan 8.190 nan 0.000 0.471 329 H N 2.007 121.049 119.070 -0.047 0.000 2.689 329 H HA 0.480 5.037 4.556 0.001 0.000 0.346 329 H C -0.620 174.707 175.328 -0.002 0.000 1.037 329 H CA -0.848 55.188 56.048 -0.021 0.000 1.234 329 H CB 1.948 31.705 29.762 -0.009 0.000 1.572 329 H HN 0.454 nan 8.280 nan 0.000 0.524 330 V N 4.205 124.197 119.914 0.130 0.000 2.470 330 V HA 0.172 4.293 4.120 0.001 0.000 0.276 330 V C 0.294 176.450 176.094 0.104 0.000 1.040 330 V CA 0.195 62.551 62.300 0.092 0.000 1.008 330 V CB 0.381 32.245 31.823 0.068 0.000 0.990 330 V HN 0.685 nan 8.190 nan 0.000 0.477 331 R N 3.805 124.377 120.500 0.119 0.000 2.538 331 R HA 0.594 4.935 4.340 0.001 0.000 0.292 331 R C 0.352 176.790 176.300 0.230 0.000 1.008 331 R CA 0.493 56.679 56.100 0.144 0.000 0.896 331 R CB 1.713 32.096 30.300 0.138 0.000 1.187 331 R HN 0.996 nan 8.270 nan 0.000 0.440 332 G N 2.351 111.236 108.800 0.142 0.000 2.601 332 G HA2 -0.315 3.645 3.960 0.001 0.000 0.252 332 G HA3 -0.315 3.645 3.960 0.001 0.000 0.252 332 G C -1.137 173.779 174.900 0.027 0.000 1.294 332 G CA 0.272 45.378 45.100 0.010 0.000 0.912 332 G HN 0.842 nan 8.290 nan 0.000 0.574 333 H N -0.873 118.033 119.070 -0.273 0.000 2.974 333 H HA 0.678 5.234 4.556 0.001 0.000 0.366 333 H C -0.117 175.148 175.328 -0.106 0.000 1.155 333 H CA 0.322 56.290 56.048 -0.132 0.000 1.186 333 H CB 1.591 31.264 29.762 -0.149 0.000 1.799 333 H HN 1.403 nan 8.280 nan 0.000 0.541 334 A N 3.511 126.326 122.820 -0.008 0.000 2.414 334 A HA 0.678 4.998 4.320 0.001 0.000 0.306 334 A C -1.438 176.225 177.584 0.132 0.000 1.054 334 A CA -0.574 51.536 52.037 0.122 0.000 0.724 334 A CB 1.378 20.467 19.000 0.148 0.000 1.267 334 A HN 0.415 nan 8.150 nan 0.000 0.418 335 V N 1.327 121.342 119.914 0.169 0.000 2.680 335 V HA 0.583 4.704 4.120 0.001 0.000 0.309 335 V C -0.162 176.009 176.094 0.128 0.000 1.052 335 V CA -0.551 61.858 62.300 0.182 0.000 0.908 335 V CB 1.798 33.769 31.823 0.247 0.000 1.001 335 V HN 0.977 nan 8.190 nan 0.000 0.431 336 E N 2.306 122.569 120.200 0.105 0.000 2.199 336 E HA 0.487 4.838 4.350 0.001 0.000 0.265 336 E C -1.597 175.044 176.600 0.068 0.000 0.882 336 E CA -0.453 55.991 56.400 0.073 0.000 0.759 336 E CB 1.627 31.345 29.700 0.030 0.000 1.148 336 E HN 0.760 nan 8.360 nan 0.000 0.412 337 C N 4.754 124.099 119.300 0.074 0.000 2.281 337 C HA 0.452 4.912 4.460 0.001 0.000 0.325 337 C C 0.224 175.257 174.990 0.071 0.000 1.282 337 C CA -0.722 58.335 59.018 0.064 0.000 1.640 337 C CB 0.064 27.849 27.740 0.075 0.000 2.288 337 C HN 0.718 nan 8.230 nan 0.000 0.507 338 R N 3.001 123.531 120.500 0.050 0.000 2.438 338 R HA 0.392 4.733 4.340 0.001 0.000 0.287 338 R C -0.448 175.902 176.300 0.085 0.000 1.077 338 R CA -0.115 56.013 56.100 0.046 0.000 1.034 338 R CB 0.443 30.759 30.300 0.026 0.000 0.993 338 R HN 0.544 nan 8.270 nan 0.000 0.459 339 I N 3.400 124.029 120.570 0.099 0.000 2.328 339 I HA 0.222 4.393 4.170 0.001 0.000 0.287 339 I C -0.470 175.718 176.117 0.119 0.000 1.012 339 I CA -0.756 60.632 61.300 0.146 0.000 1.195 339 I CB 0.918 39.073 38.000 0.257 0.000 1.350 339 I HN 0.514 nan 8.210 nan 0.000 0.464 340 N N 4.006 122.778 118.700 0.119 0.000 2.362 340 N HA 0.537 5.277 4.740 0.001 0.000 0.298 340 N C 0.031 175.606 175.510 0.108 0.000 1.048 340 N CA -0.518 52.599 53.050 0.113 0.000 0.858 340 N CB 1.991 40.549 38.487 0.120 0.000 1.218 340 N HN 0.661 nan 8.380 nan 0.000 0.488 341 A N 2.232 125.110 122.820 0.097 0.000 2.981 341 A HA 0.258 4.578 4.320 0.001 0.000 0.280 341 A C -0.186 177.438 177.584 0.067 0.000 1.743 341 A CA 0.030 52.112 52.037 0.076 0.000 1.430 341 A CB -0.887 18.154 19.000 0.069 0.000 1.085 341 A HN 0.748 nan 8.150 nan 0.000 0.597 342 E N 0.949 121.188 120.200 0.065 0.000 2.390 342 E HA 0.213 4.564 4.350 0.001 0.000 0.280 342 E C -1.609 174.987 176.600 -0.006 0.000 0.992 342 E CA -0.988 55.448 56.400 0.060 0.000 0.790 342 E CB 0.711 30.497 29.700 0.143 0.000 1.248 342 E HN 0.244 nan 8.360 nan 0.000 0.447 343 D N 2.548 122.907 120.400 -0.068 0.000 2.493 343 D HA 0.007 4.647 4.640 0.001 0.000 0.240 343 D C -1.203 174.861 176.300 -0.394 0.000 1.142 343 D CA -1.278 52.616 54.000 -0.176 0.000 0.872 343 D CB 1.207 41.905 40.800 -0.169 0.000 1.173 343 D HN 0.245 nan 8.370 nan 0.000 0.467 344 P HA -0.091 nan 4.420 nan 0.000 0.226 344 P C 0.444 177.329 177.300 -0.693 0.000 1.153 344 P CA 0.878 63.742 63.100 -0.395 0.000 0.777 344 P CB 0.535 32.136 31.700 -0.165 0.000 0.794 345 N N -0.859 117.471 118.700 -0.616 0.000 2.571 345 N HA -0.015 4.725 4.740 0.001 0.000 0.195 345 N C 1.746 176.948 175.510 -0.512 0.000 1.040 345 N CA 1.714 54.480 53.050 -0.472 0.000 0.890 345 N CB -0.557 37.801 38.487 -0.215 0.000 1.233 345 N HN 0.239 nan 8.380 nan 0.000 0.435 346 T N -2.344 111.950 114.554 -0.434 0.000 3.015 346 T HA 0.167 4.517 4.350 0.001 0.000 0.250 346 T C 0.428 175.144 174.700 0.028 0.000 1.057 346 T CA -0.113 61.906 62.100 -0.134 0.000 1.066 346 T CB -0.248 68.582 68.868 -0.063 0.000 0.959 346 T HN 0.104 nan 8.240 nan 0.000 0.488 347 F N -0.520 119.430 119.950 0.000 0.000 3.034 347 F HA -0.138 4.390 4.527 0.001 0.000 0.286 347 F C 0.245 176.047 175.800 0.002 0.000 0.804 347 F CA -0.330 57.672 58.000 0.003 0.000 1.161 347 F CB -2.496 36.505 39.000 0.003 0.000 1.317 347 F HN 0.327 nan 8.300 nan 0.000 0.453 348 L N 3.209 124.480 121.223 0.080 0.000 2.455 348 L HA 0.381 4.721 4.340 0.001 0.000 0.272 348 L C -1.790 175.104 176.870 0.039 0.000 1.174 348 L CA -1.185 53.684 54.840 0.048 0.000 0.869 348 L CB 0.185 42.251 42.059 0.011 0.000 1.130 348 L HN -0.275 nan 8.230 nan 0.000 0.474 349 P HA 0.018 nan 4.420 nan 0.000 0.265 349 P C -1.034 176.269 177.300 0.006 0.000 1.193 349 P CA 0.108 63.226 63.100 0.029 0.000 0.765 349 P CB 0.679 32.388 31.700 0.015 0.000 0.823 350 S N 3.413 119.118 115.700 0.009 0.000 2.080 350 S HA 0.364 4.835 4.470 0.001 0.000 0.162 350 S C -2.382 172.210 174.600 -0.013 0.000 1.618 350 S CA -1.740 56.456 58.200 -0.006 0.000 1.200 350 S CB -0.326 62.873 63.200 -0.001 0.000 1.135 350 S HN 0.235 nan 8.310 nan 0.000 0.455 351 P HA 0.674 nan 4.420 nan 0.000 0.276 351 P C 0.369 177.626 177.300 -0.070 0.000 1.261 351 P CA 0.202 63.267 63.100 -0.058 0.000 0.800 351 P CB 0.912 32.551 31.700 -0.102 0.000 1.066 352 G N -0.712 108.031 108.800 -0.095 0.000 2.361 352 G HA2 0.032 3.992 3.960 0.001 0.000 0.331 352 G HA3 0.032 3.992 3.960 0.001 0.000 0.331 352 G C -1.522 173.308 174.900 -0.117 0.000 1.324 352 G CA -0.877 44.167 45.100 -0.094 0.000 0.984 352 G HN 0.654 nan 8.290 nan 0.000 0.586 353 K N 0.168 120.511 120.400 -0.094 0.000 2.339 353 K HA 0.477 4.797 4.320 0.001 0.000 0.286 353 K C 0.356 176.923 176.600 -0.055 0.000 1.050 353 K CA -0.472 55.757 56.287 -0.096 0.000 0.956 353 K CB 0.219 32.685 32.500 -0.058 0.000 0.990 353 K HN 0.352 nan 8.250 nan 0.000 0.475 354 I N 5.173 125.708 120.570 -0.059 0.000 2.363 354 I HA -0.035 4.135 4.170 0.001 0.000 0.292 354 I C 1.542 177.683 176.117 0.041 0.000 1.075 354 I CA -0.137 61.166 61.300 0.004 0.000 1.333 354 I CB 1.087 39.090 38.000 0.003 0.000 1.415 354 I HN 0.815 nan 8.210 nan 0.000 0.502 355 T N 2.847 117.435 114.554 0.055 0.000 3.044 355 T HA 0.095 4.445 4.350 0.001 0.000 0.255 355 T C 0.857 175.614 174.700 0.094 0.000 1.073 355 T CA 0.137 62.275 62.100 0.063 0.000 1.125 355 T CB 0.252 69.146 68.868 0.042 0.000 0.908 355 T HN 0.536 nan 8.240 nan 0.000 0.480 356 R N -0.350 120.221 120.500 0.118 0.000 2.604 356 R HA 0.616 4.956 4.340 0.001 0.000 0.281 356 R C -2.349 174.092 176.300 0.235 0.000 1.020 356 R CA -1.035 55.150 56.100 0.142 0.000 0.899 356 R CB 1.760 32.110 30.300 0.083 0.000 1.205 356 R HN 0.306 nan 8.270 nan 0.000 0.450 357 F N 3.216 123.212 119.950 0.076 0.000 2.574 357 F HA 0.421 4.948 4.527 0.001 0.000 0.313 357 F C -1.601 174.258 175.800 0.099 0.000 1.130 357 F CA -0.619 57.425 58.000 0.072 0.000 0.936 357 F CB 1.706 40.758 39.000 0.086 0.000 1.219 357 F HN 0.700 nan 8.300 nan 0.000 0.445 358 H N 4.224 122.740 119.070 -0.923 0.000 2.782 358 H HA 0.722 5.279 4.556 0.001 0.000 0.347 358 H C -1.268 173.332 175.328 -1.214 0.000 1.038 358 H CA -0.334 55.160 56.048 -0.922 0.000 1.255 358 H CB 1.773 31.280 29.762 -0.424 0.000 1.623 358 H HN 0.870 nan 8.280 nan 0.000 0.525 359 A N 6.175 128.074 122.820 -1.535 0.000 2.331 359 A HA 0.468 4.788 4.320 0.001 0.000 0.283 359 A C -2.344 174.761 177.584 -0.798 0.000 1.142 359 A CA -1.470 49.839 52.037 -1.213 0.000 0.812 359 A CB -0.005 18.445 19.000 -0.917 0.000 1.074 359 A HN 0.618 nan 8.150 nan 0.000 0.497 360 P HA 0.416 nan 4.420 nan 0.000 0.274 360 P C 0.222 177.424 177.300 -0.162 0.000 1.231 360 P CA 0.190 63.132 63.100 -0.264 0.000 0.790 360 P CB 1.377 32.969 31.700 -0.179 0.000 0.951 361 G N -1.109 107.653 108.800 -0.064 0.000 3.176 361 G HA2 0.738 4.699 3.960 0.001 0.000 0.272 361 G HA3 0.738 4.699 3.960 0.001 0.000 0.272 361 G C -0.443 174.487 174.900 0.049 0.000 1.349 361 G CA -0.593 44.505 45.100 -0.002 0.000 0.953 361 G HN 0.816 nan 8.290 nan 0.000 0.559 362 G N -2.020 106.830 108.800 0.083 0.000 2.570 362 G HA2 0.357 4.317 3.960 0.001 0.000 0.686 362 G HA3 0.357 4.317 3.960 0.001 0.000 0.686 362 G C -0.562 174.465 174.900 0.213 0.000 1.257 362 G CA -0.370 44.807 45.100 0.129 0.000 0.846 362 G HN 1.394 nan 8.290 nan 0.000 0.627 363 F N 1.982 121.963 119.950 0.052 0.000 2.623 363 F HA 0.416 4.944 4.527 0.001 0.000 0.383 363 F C 1.719 177.578 175.800 0.098 0.000 1.077 363 F CA 1.168 59.209 58.000 0.070 0.000 1.268 363 F CB 0.552 39.590 39.000 0.064 0.000 1.053 363 F HN 2.236 nan 8.300 nan 0.000 0.571 364 G N 3.771 112.543 108.800 -0.047 0.000 2.148 364 G HA2 -0.189 3.772 3.960 0.001 0.000 0.254 364 G HA3 -0.189 3.772 3.960 0.001 0.000 0.254 364 G C -0.461 174.474 174.900 0.058 0.000 0.981 364 G CA 0.170 45.215 45.100 -0.092 0.000 0.670 364 G HN 0.797 nan 8.290 nan 0.000 0.528 365 V N 0.729 120.702 119.914 0.098 0.000 2.370 365 V HA 0.679 4.800 4.120 0.001 0.000 0.283 365 V C 0.534 176.710 176.094 0.136 0.000 1.023 365 V CA -0.617 61.752 62.300 0.115 0.000 0.857 365 V CB 1.631 33.517 31.823 0.105 0.000 0.985 365 V HN 0.456 nan 8.190 nan 0.000 0.443 366 R N 4.925 125.518 120.500 0.154 0.000 2.476 366 R HA 0.334 4.674 4.340 0.001 0.000 0.305 366 R C -1.460 174.990 176.300 0.250 0.000 0.965 366 R CA -0.581 55.616 56.100 0.162 0.000 0.867 366 R CB 1.446 31.803 30.300 0.095 0.000 1.176 366 R HN 0.849 nan 8.270 nan 0.000 0.447 367 W N 6.409 127.736 121.300 0.044 0.000 2.329 367 W HA 0.322 4.983 4.660 0.001 0.000 0.312 367 W C -1.221 175.332 176.519 0.058 0.000 1.054 367 W CA -0.591 56.789 57.345 0.058 0.000 1.245 367 W CB 1.655 31.158 29.460 0.071 0.000 1.255 367 W HN 0.521 nan 8.180 nan 0.000 0.436 368 E N 4.834 124.724 120.200 -0.516 0.000 2.183 368 E HA 0.267 4.617 4.350 0.001 0.000 0.250 368 E C -1.010 175.134 176.600 -0.759 0.000 0.901 368 E CA -0.151 55.964 56.400 -0.475 0.000 0.741 368 E CB 1.726 31.275 29.700 -0.251 0.000 1.182 368 E HN 0.324 nan 8.360 nan 0.000 0.425 369 S N 1.490 116.770 115.700 -0.701 0.000 2.558 369 S HA 0.141 4.611 4.470 0.001 0.000 0.277 369 S C 0.266 174.732 174.600 -0.222 0.000 1.143 369 S CA -0.657 57.217 58.200 -0.543 0.000 0.865 369 S CB 0.521 63.178 63.200 -0.905 0.000 1.102 369 S HN 0.594 nan 8.310 nan 0.000 0.454 370 H N 3.506 122.454 119.070 -0.204 0.000 2.551 370 H HA 0.264 4.821 4.556 0.001 0.000 0.266 370 H C 1.086 176.272 175.328 -0.237 0.000 0.964 370 H CA 0.315 56.262 56.048 -0.169 0.000 1.180 370 H CB -0.692 28.957 29.762 -0.188 0.000 1.408 370 H HN 0.682 nan 8.280 nan 0.000 0.563 371 I N -0.117 120.035 120.570 -0.696 0.000 2.836 371 I HA 0.315 4.485 4.170 0.001 0.000 0.285 371 I C -0.611 175.195 176.117 -0.519 0.000 1.174 371 I CA -0.780 60.088 61.300 -0.720 0.000 1.405 371 I CB 0.545 38.166 38.000 -0.632 0.000 1.385 371 I HN 0.064 nan 8.210 nan 0.000 0.594 372 Y N 2.784 122.832 120.300 -0.420 0.000 2.656 372 Y HA 0.749 5.299 4.550 0.001 0.000 0.334 372 Y C -0.617 175.306 175.900 0.039 0.000 1.179 372 Y CA -1.530 56.468 58.100 -0.170 0.000 1.050 372 Y CB 0.503 38.961 38.460 -0.005 0.000 1.308 372 Y HN 0.815 nan 8.280 nan 0.000 0.456 373 A N 1.125 124.182 122.820 0.394 0.000 2.492 373 A HA 0.482 4.803 4.320 0.001 0.000 0.254 373 A C 1.325 179.082 177.584 0.289 0.000 1.091 373 A CA 0.810 53.028 52.037 0.301 0.000 0.768 373 A CB -1.205 17.977 19.000 0.305 0.000 1.028 373 A HN 2.247 nan 8.150 nan 0.000 0.498 374 G N 0.746 109.636 108.800 0.150 0.000 2.194 374 G HA2 -0.249 3.712 3.960 0.001 0.000 0.236 374 G HA3 -0.249 3.712 3.960 0.001 0.000 0.236 374 G C 0.122 175.049 174.900 0.045 0.000 0.987 374 G CA 0.350 45.532 45.100 0.137 0.000 0.635 374 G HN 1.522 nan 8.290 nan 0.000 0.520 375 Y N 2.691 122.773 120.300 -0.363 0.000 2.359 375 Y HA 0.575 5.125 4.550 0.001 0.000 0.330 375 Y C 0.378 176.124 175.900 -0.257 0.000 1.143 375 Y CA 0.462 58.212 58.100 -0.582 0.000 1.318 375 Y CB 1.118 38.782 38.460 -1.326 0.000 1.234 375 Y HN 0.050 nan 8.280 nan 0.000 0.522 376 T N 6.767 120.788 114.554 -0.889 0.000 2.733 376 T HA 0.293 4.644 4.350 0.001 0.000 0.294 376 T C -0.668 173.434 174.700 -0.997 0.000 0.956 376 T CA -0.567 61.123 62.100 -0.684 0.000 0.987 376 T CB 0.343 69.014 68.868 -0.329 0.000 0.920 376 T HN 0.478 nan 8.240 nan 0.000 0.470 377 V N 8.150 127.724 119.914 -0.565 0.000 2.446 377 V HA 0.181 4.302 4.120 0.001 0.000 0.276 377 V C -1.891 174.134 176.094 -0.115 0.000 1.030 377 V CA -1.465 60.702 62.300 -0.222 0.000 1.033 377 V CB 0.128 31.934 31.823 -0.028 0.000 0.993 377 V HN 0.690 nan 8.190 nan 0.000 0.477 378 P HA 0.278 nan 4.420 nan 0.000 0.277 378 P C -2.023 175.191 177.300 -0.143 0.000 1.240 378 P CA -1.894 61.199 63.100 -0.012 0.000 0.798 378 P CB 0.387 32.276 31.700 0.315 0.000 0.979 379 P HA -0.088 nan 4.420 nan 0.000 0.229 379 P C 0.697 177.739 177.300 -0.430 0.000 1.160 379 P CA 1.289 64.131 63.100 -0.431 0.000 0.777 379 P CB -0.178 31.214 31.700 -0.514 0.000 0.814 380 Y N -1.506 118.608 120.300 -0.310 0.000 2.509 380 Y HA -0.016 4.534 4.550 0.001 0.000 0.293 380 Y C 1.150 176.669 175.900 -0.635 0.000 1.133 380 Y CA 0.311 58.055 58.100 -0.594 0.000 1.283 380 Y CB -0.690 37.198 38.460 -0.955 0.000 1.001 380 Y HN -0.025 nan 8.280 nan 0.000 0.555 381 Y N -1.211 119.211 120.300 0.204 0.000 2.833 381 Y HA 0.309 4.859 4.550 0.001 0.000 0.319 381 Y C 0.039 175.996 175.900 0.096 0.000 1.254 381 Y CA -2.128 56.077 58.100 0.174 0.000 1.138 381 Y CB 0.175 38.765 38.460 0.216 0.000 1.352 381 Y HN -0.332 nan 8.280 nan 0.000 0.546 382 D N -0.241 120.317 120.400 0.263 0.000 2.362 382 D HA 0.034 4.674 4.640 0.001 0.000 0.238 382 D C 0.970 177.359 176.300 0.148 0.000 1.212 382 D CA 0.798 54.884 54.000 0.144 0.000 0.902 382 D CB 0.850 41.707 40.800 0.095 0.000 1.180 382 D HN 0.544 nan 8.370 nan 0.000 0.445 383 S N 1.742 117.507 115.700 0.109 0.000 2.470 383 S HA -0.057 4.413 4.470 0.001 0.000 0.225 383 S C 1.123 175.794 174.600 0.118 0.000 1.006 383 S CA -0.137 58.128 58.200 0.108 0.000 0.934 383 S CB -0.151 63.106 63.200 0.093 0.000 0.778 383 S HN 0.559 nan 8.310 nan 0.000 0.517 384 M N 2.856 122.524 119.600 0.114 0.000 2.292 384 M HA 0.268 4.749 4.480 0.001 0.000 0.342 384 M C 0.517 176.906 176.300 0.149 0.000 1.538 384 M CA -0.053 55.313 55.300 0.109 0.000 1.163 384 M CB 0.368 33.018 32.600 0.083 0.000 1.823 384 M HN 0.525 nan 8.290 nan 0.000 0.462 385 I N 1.459 122.101 120.570 0.120 0.000 4.139 385 I HA 0.574 4.745 4.170 0.001 0.000 0.335 385 I C 0.512 176.591 176.117 -0.063 0.000 1.327 385 I CA -0.266 61.092 61.300 0.096 0.000 1.112 385 I CB 0.470 38.501 38.000 0.053 0.000 1.058 385 I HN 0.615 nan 8.210 nan 0.000 0.396 386 G N 1.091 109.852 108.800 -0.064 0.000 2.601 386 G HA2 0.554 4.514 3.960 0.001 0.000 0.291 386 G HA3 0.554 4.514 3.960 0.001 0.000 0.291 386 G C -1.923 172.832 174.900 -0.242 0.000 1.456 386 G CA -0.878 44.033 45.100 -0.315 0.000 0.804 386 G HN 0.065 nan 8.290 nan 0.000 0.499 387 K N 0.084 120.225 120.400 -0.431 0.000 2.471 387 K HA 0.533 4.853 4.320 0.001 0.000 0.252 387 K C -1.585 174.948 176.600 -0.111 0.000 0.938 387 K CA -0.831 55.347 56.287 -0.182 0.000 0.796 387 K CB 2.870 35.287 32.500 -0.138 0.000 1.161 387 K HN 0.306 nan 8.250 nan 0.000 0.425 388 L N 4.549 125.862 121.223 0.149 0.000 2.287 388 L HA 0.537 4.877 4.340 0.001 0.000 0.287 388 L C -1.491 175.482 176.870 0.172 0.000 1.022 388 L CA -0.553 54.475 54.840 0.313 0.000 0.814 388 L CB 0.882 43.191 42.059 0.416 0.000 1.217 388 L HN 0.536 nan 8.230 nan 0.000 0.420 389 I N 4.916 125.580 120.570 0.157 0.000 2.447 389 I HA 0.440 4.610 4.170 0.001 0.000 0.287 389 I C -0.777 175.417 176.117 0.128 0.000 1.023 389 I CA -0.080 61.287 61.300 0.112 0.000 1.083 389 I CB 1.733 39.770 38.000 0.061 0.000 1.245 389 I HN 0.482 nan 8.210 nan 0.000 0.434 390 C N 5.053 124.429 119.300 0.127 0.000 2.417 390 C HA 0.561 5.022 4.460 0.001 0.000 0.324 390 C C -0.565 174.509 174.990 0.140 0.000 1.240 390 C CA -0.851 58.239 59.018 0.120 0.000 1.632 390 C CB 1.039 28.836 27.740 0.095 0.000 2.241 390 C HN 0.698 nan 8.230 nan 0.000 0.499 391 Y N 1.353 121.640 120.300 -0.022 0.000 2.429 391 Y HA 0.755 5.306 4.550 0.001 0.000 0.342 391 Y C 0.165 176.007 175.900 -0.097 0.000 1.004 391 Y CA 0.101 58.173 58.100 -0.045 0.000 1.075 391 Y CB 1.546 39.962 38.460 -0.075 0.000 1.214 391 Y HN 0.834 nan 8.280 nan 0.000 0.455 392 G N 3.463 111.736 108.800 -0.877 0.000 2.690 392 G HA2 0.221 4.181 3.960 0.001 0.000 0.291 392 G HA3 0.221 4.181 3.960 0.001 0.000 0.291 392 G C -0.418 173.961 174.900 -0.868 0.000 1.403 392 G CA -0.647 44.027 45.100 -0.710 0.000 0.864 392 G HN 0.656 nan 8.290 nan 0.000 0.480 393 E N -0.547 119.389 120.200 -0.439 0.000 2.333 393 E HA -0.097 4.253 4.350 0.001 0.000 0.198 393 E C 0.384 176.881 176.600 -0.171 0.000 1.007 393 E CA 1.109 57.368 56.400 -0.233 0.000 0.845 393 E CB -0.243 29.413 29.700 -0.074 0.000 0.766 393 E HN 0.536 nan 8.360 nan 0.000 0.507 394 N N -1.111 117.474 118.700 -0.192 0.000 2.853 394 N HA 0.188 4.929 4.740 0.001 0.000 0.258 394 N C 0.207 175.587 175.510 -0.216 0.000 1.444 394 N CA -0.854 52.104 53.050 -0.153 0.000 0.837 394 N CB 1.103 39.514 38.487 -0.126 0.000 1.489 394 N HN -0.187 nan 8.380 nan 0.000 0.529 395 R N -0.554 119.729 120.500 -0.361 0.000 2.091 395 R HA -0.146 4.195 4.340 0.001 0.000 0.238 395 R C 0.199 176.303 176.300 -0.327 0.000 1.136 395 R CA 1.974 57.698 56.100 -0.625 0.000 0.959 395 R CB -0.413 29.344 30.300 -0.906 0.000 0.856 395 R HN 0.633 nan 8.270 nan 0.000 0.437 396 D N -0.346 119.912 120.400 -0.238 0.000 2.117 396 D HA -0.131 4.510 4.640 0.001 0.000 0.197 396 D C 1.886 178.125 176.300 -0.102 0.000 0.987 396 D CA 1.159 55.069 54.000 -0.150 0.000 0.829 396 D CB -0.104 40.625 40.800 -0.118 0.000 0.961 396 D HN 0.096 nan 8.370 nan 0.000 0.460 397 V N 1.191 121.036 119.914 -0.115 0.000 2.358 397 V HA -0.203 3.918 4.120 0.001 0.000 0.246 397 V C 2.502 178.544 176.094 -0.086 0.000 1.047 397 V CA 1.659 63.902 62.300 -0.095 0.000 1.035 397 V CB -0.766 30.984 31.823 -0.120 0.000 0.658 397 V HN 0.177 nan 8.190 nan 0.000 0.452 398 A N 0.070 122.824 122.820 -0.110 0.000 1.908 398 A HA -0.207 4.113 4.320 0.001 0.000 0.218 398 A C 2.180 179.778 177.584 0.022 0.000 1.181 398 A CA 2.106 54.115 52.037 -0.047 0.000 0.627 398 A CB -0.563 18.434 19.000 -0.005 0.000 0.818 398 A HN 0.514 nan 8.150 nan 0.000 0.445 399 I N -0.411 120.169 120.570 0.017 0.000 2.202 399 I HA -0.251 3.919 4.170 0.001 0.000 0.242 399 I C 2.979 179.136 176.117 0.068 0.000 1.091 399 I CA 0.998 62.350 61.300 0.088 0.000 1.368 399 I CB -0.366 37.685 38.000 0.085 0.000 1.058 399 I HN 0.355 nan 8.210 nan 0.000 0.410 400 A N 0.809 123.645 122.820 0.026 0.000 1.908 400 A HA -0.222 4.099 4.320 0.001 0.000 0.218 400 A C 2.388 179.991 177.584 0.031 0.000 1.181 400 A CA 1.620 53.672 52.037 0.025 0.000 0.627 400 A CB -0.578 18.426 19.000 0.007 0.000 0.818 400 A HN 0.305 nan 8.150 nan 0.000 0.445 401 R N -1.924 118.591 120.500 0.025 0.000 2.092 401 R HA -0.089 4.252 4.340 0.001 0.000 0.231 401 R C 2.199 178.530 176.300 0.051 0.000 1.119 401 R CA 1.645 57.765 56.100 0.034 0.000 0.970 401 R CB -0.324 29.989 30.300 0.021 0.000 0.864 401 R HN 0.569 nan 8.270 nan 0.000 0.440 402 M N 1.201 120.839 119.600 0.064 0.000 2.117 402 M HA -0.144 4.337 4.480 0.001 0.000 0.262 402 M C 1.571 177.909 176.300 0.063 0.000 1.065 402 M CA 1.795 57.142 55.300 0.078 0.000 1.114 402 M CB 0.053 32.714 32.600 0.101 0.000 1.361 402 M HN -0.118 nan 8.290 nan 0.000 0.408 403 K N -0.176 120.260 120.400 0.060 0.000 2.032 403 K HA -0.175 4.145 4.320 0.001 0.000 0.209 403 K C 1.848 178.468 176.600 0.034 0.000 1.048 403 K CA 2.107 58.422 56.287 0.047 0.000 0.927 403 K CB -0.520 32.009 32.500 0.049 0.000 0.712 403 K HN 0.585 nan 8.250 nan 0.000 0.441 404 N N 0.304 119.024 118.700 0.033 0.000 2.084 404 N HA -0.162 4.578 4.740 0.001 0.000 0.190 404 N C 1.936 177.457 175.510 0.018 0.000 1.030 404 N CA 0.851 53.916 53.050 0.025 0.000 0.849 404 N CB -0.141 38.364 38.487 0.030 0.000 1.012 404 N HN 0.187 nan 8.380 nan 0.000 0.423 405 A N 1.453 124.288 122.820 0.026 0.000 1.902 405 A HA -0.098 4.222 4.320 0.001 0.000 0.217 405 A C 2.162 179.742 177.584 -0.006 0.000 1.181 405 A CA 1.092 53.137 52.037 0.013 0.000 0.623 405 A CB -0.764 18.262 19.000 0.043 0.000 0.818 405 A HN 0.179 nan 8.150 nan 0.000 0.443 406 L N -0.715 120.519 121.223 0.018 0.000 2.131 406 L HA -0.201 4.140 4.340 0.001 0.000 0.210 406 L C 2.795 179.664 176.870 -0.001 0.000 1.092 406 L CA 1.002 55.852 54.840 0.017 0.000 0.759 406 L CB -0.372 41.709 42.059 0.036 0.000 0.903 406 L HN 0.410 nan 8.230 nan 0.000 0.435 407 Q N -0.206 119.593 119.800 -0.001 0.000 2.172 407 Q HA -0.167 4.173 4.340 0.001 0.000 0.200 407 Q C 1.960 177.946 176.000 -0.023 0.000 0.964 407 Q CA 1.138 56.936 55.803 -0.008 0.000 0.855 407 Q CB 0.045 28.782 28.738 -0.002 0.000 0.918 407 Q HN 0.591 nan 8.270 nan 0.000 0.444 408 E N 0.284 120.467 120.200 -0.029 0.000 2.216 408 E HA -0.074 4.276 4.350 0.001 0.000 0.192 408 E C 0.279 176.842 176.600 -0.063 0.000 0.988 408 E CA -0.187 56.193 56.400 -0.033 0.000 0.834 408 E CB 0.132 29.817 29.700 -0.024 0.000 0.772 408 E HN 0.036 nan 8.360 nan 0.000 0.479 409 L N 1.947 123.104 121.223 -0.109 0.000 2.477 409 L HA 0.117 4.457 4.340 0.001 0.000 0.272 409 L C -0.601 176.211 176.870 -0.095 0.000 1.157 409 L CA 0.738 55.470 54.840 -0.180 0.000 0.889 409 L CB 0.230 42.186 42.059 -0.172 0.000 1.158 409 L HN -0.083 nan 8.230 nan 0.000 0.473 410 I N 6.914 127.415 120.570 -0.114 0.000 2.389 410 I HA 0.382 4.553 4.170 0.001 0.000 0.288 410 I C -0.609 175.561 176.117 0.088 0.000 0.999 410 I CA -0.301 60.986 61.300 -0.023 0.000 1.129 410 I CB 1.346 39.328 38.000 -0.031 0.000 1.288 410 I HN 0.499 nan 8.210 nan 0.000 0.444 411 I N 5.510 126.159 120.570 0.131 0.000 2.517 411 I HA 0.296 4.467 4.170 0.001 0.000 0.280 411 I C -1.212 174.974 176.117 0.115 0.000 1.061 411 I CA -0.543 60.877 61.300 0.200 0.000 1.091 411 I CB 1.246 39.376 38.000 0.216 0.000 1.205 411 I HN 0.400 nan 8.210 nan 0.000 0.459 412 D N 3.703 124.167 120.400 0.106 0.000 2.217 412 D HA 0.638 5.279 4.640 0.001 0.000 0.248 412 D C 1.017 177.349 176.300 0.052 0.000 1.008 412 D CA 0.320 54.358 54.000 0.064 0.000 0.914 412 D CB 2.172 43.003 40.800 0.051 0.000 1.182 412 D HN 0.762 nan 8.370 nan 0.000 0.451 413 G N 0.138 108.956 108.800 0.029 0.000 2.254 413 G HA2 -0.190 3.771 3.960 0.001 0.000 0.225 413 G HA3 -0.190 3.771 3.960 0.001 0.000 0.225 413 G C 0.300 175.202 174.900 0.004 0.000 1.003 413 G CA 0.366 45.474 45.100 0.014 0.000 0.622 413 G HN 0.618 nan 8.290 nan 0.000 0.507 414 I N -3.003 117.574 120.570 0.012 0.000 3.174 414 I HA 0.835 5.005 4.170 0.001 0.000 0.313 414 I C -0.706 175.419 176.117 0.013 0.000 1.155 414 I CA -1.683 59.621 61.300 0.006 0.000 0.977 414 I CB 1.761 39.765 38.000 0.006 0.000 1.248 414 I HN -0.228 nan 8.210 nan 0.000 0.453 415 K N 2.329 122.732 120.400 0.005 0.000 2.174 415 K HA 0.542 4.863 4.320 0.001 0.000 0.275 415 K C -0.207 176.404 176.600 0.019 0.000 1.015 415 K CA -0.258 56.029 56.287 0.000 0.000 0.933 415 K CB 1.621 34.107 32.500 -0.023 0.000 1.025 415 K HN 0.949 nan 8.250 nan 0.000 0.463 416 T N -1.899 112.670 114.554 0.025 0.000 2.887 416 T HA 0.270 4.620 4.350 0.001 0.000 0.292 416 T C 0.557 175.279 174.700 0.037 0.000 1.087 416 T CA -0.912 61.219 62.100 0.052 0.000 1.009 416 T CB 0.971 69.890 68.868 0.085 0.000 1.203 416 T HN 0.454 nan 8.240 nan 0.000 0.518 417 N N 0.591 119.333 118.700 0.071 0.000 2.362 417 N HA 0.028 4.768 4.740 0.001 0.000 0.204 417 N C 1.327 176.879 175.510 0.069 0.000 1.166 417 N CA -0.158 52.937 53.050 0.075 0.000 0.831 417 N CB -0.605 37.973 38.487 0.152 0.000 1.008 417 N HN 0.385 nan 8.380 nan 0.000 0.472 418 V N 0.884 120.836 119.914 0.065 0.000 2.332 418 V HA -0.248 3.872 4.120 0.001 0.000 0.248 418 V C 1.610 177.726 176.094 0.037 0.000 1.055 418 V CA 2.050 64.387 62.300 0.061 0.000 1.038 418 V CB -0.429 31.431 31.823 0.063 0.000 0.651 418 V HN 0.255 nan 8.190 nan 0.000 0.450 419 D N -0.383 120.029 120.400 0.020 0.000 2.178 419 D HA -0.128 4.513 4.640 0.001 0.000 0.201 419 D C 1.906 178.213 176.300 0.011 0.000 0.980 419 D CA 0.950 54.954 54.000 0.007 0.000 0.842 419 D CB -0.249 40.545 40.800 -0.009 0.000 0.948 419 D HN 0.372 nan 8.370 nan 0.000 0.472 420 L N 0.887 122.122 121.223 0.021 0.000 2.056 420 L HA -0.158 4.183 4.340 0.001 0.000 0.207 420 L C 1.998 178.886 176.870 0.029 0.000 1.078 420 L CA 1.634 56.500 54.840 0.043 0.000 0.749 420 L CB -0.435 41.687 42.059 0.105 0.000 0.901 420 L HN -0.097 nan 8.230 nan 0.000 0.433 421 Q N -0.262 119.555 119.800 0.028 0.000 2.124 421 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 421 Q C 2.368 178.356 176.000 -0.019 0.000 0.977 421 Q CA 2.032 57.834 55.803 -0.003 0.000 0.850 421 Q CB -0.323 28.430 28.738 0.025 0.000 0.901 421 Q HN 0.615 nan 8.270 nan 0.000 0.429 422 I N 0.381 120.954 120.570 0.005 0.000 2.226 422 I HA -0.291 3.879 4.170 0.001 0.000 0.245 422 I C 2.583 178.705 176.117 0.008 0.000 1.100 422 I CA 1.125 62.431 61.300 0.009 0.000 1.374 422 I CB -0.247 37.762 38.000 0.016 0.000 1.057 422 I HN 0.136 nan 8.210 nan 0.000 0.413 423 R N 0.661 121.167 120.500 0.010 0.000 2.083 423 R HA -0.170 4.170 4.340 0.001 0.000 0.237 423 R C 2.337 178.646 176.300 0.015 0.000 1.137 423 R CA 1.660 57.771 56.100 0.020 0.000 0.951 423 R CB -0.431 29.883 30.300 0.024 0.000 0.851 423 R HN 0.351 nan 8.270 nan 0.000 0.434 424 I N 0.277 120.825 120.570 -0.036 0.000 2.226 424 I HA -0.282 3.888 4.170 0.001 0.000 0.245 424 I C 2.267 178.251 176.117 -0.223 0.000 1.100 424 I CA 0.983 62.204 61.300 -0.131 0.000 1.374 424 I CB -0.178 37.677 38.000 -0.243 0.000 1.057 424 I HN 0.164 nan 8.210 nan 0.000 0.413 425 M N 0.090 119.595 119.600 -0.159 0.000 2.229 425 M HA -0.137 4.343 4.480 0.001 0.000 0.264 425 M C 1.593 177.988 176.300 0.159 0.000 1.063 425 M CA 1.493 56.797 55.300 0.005 0.000 1.114 425 M CB -1.312 31.311 32.600 0.038 0.000 1.387 425 M HN 0.251 nan 8.290 nan 0.000 0.420 426 N N 0.692 119.451 118.700 0.098 0.000 2.461 426 N HA -0.041 4.699 4.740 0.001 0.000 0.188 426 N C 0.196 175.785 175.510 0.131 0.000 1.134 426 N CA 0.238 53.351 53.050 0.104 0.000 0.878 426 N CB -0.065 38.462 38.487 0.067 0.000 0.972 426 N HN 0.376 nan 8.380 nan 0.000 0.456 427 D N 1.256 121.760 120.400 0.174 0.000 2.383 427 D HA -0.009 4.632 4.640 0.001 0.000 0.252 427 D C 0.628 177.057 176.300 0.215 0.000 1.166 427 D CA 0.147 54.272 54.000 0.208 0.000 0.879 427 D CB 1.159 42.119 40.800 0.267 0.000 1.164 427 D HN 0.143 nan 8.370 nan 0.000 0.462 428 E N 2.721 123.013 120.200 0.153 0.000 2.153 428 E HA -0.150 4.200 4.350 0.001 0.000 0.194 428 E C 1.269 177.921 176.600 0.086 0.000 0.988 428 E CA 0.619 57.083 56.400 0.106 0.000 0.811 428 E CB 0.282 30.027 29.700 0.075 0.000 0.746 428 E HN 0.501 nan 8.360 nan 0.000 0.466 429 N N 0.175 118.922 118.700 0.078 0.000 2.250 429 N HA -0.119 4.622 4.740 0.001 0.000 0.181 429 N C 1.658 177.140 175.510 -0.046 0.000 1.017 429 N CA 0.623 53.646 53.050 -0.045 0.000 0.866 429 N CB -0.212 38.141 38.487 -0.225 0.000 0.985 429 N HN 0.152 nan 8.380 nan 0.000 0.429 430 F N 2.361 122.249 119.950 -0.103 0.000 2.146 430 F HA -0.126 4.401 4.527 0.001 0.000 0.298 430 F C 2.391 178.177 175.800 -0.023 0.000 1.096 430 F CA 1.295 59.261 58.000 -0.057 0.000 1.275 430 F CB -0.037 38.971 39.000 0.014 0.000 1.008 430 F HN -0.034 nan 8.300 nan 0.000 0.480 431 Q N -0.781 118.975 119.800 -0.073 0.000 2.170 431 Q HA -0.260 4.080 4.340 0.001 0.000 0.203 431 Q C 2.260 178.147 176.000 -0.188 0.000 0.976 431 Q CA 1.596 57.299 55.803 -0.167 0.000 0.858 431 Q CB -0.573 28.172 28.738 0.012 0.000 0.907 431 Q HN 0.614 nan 8.270 nan 0.000 0.433 432 H N -0.145 118.819 119.070 -0.177 0.000 2.326 432 H HA -0.008 4.548 4.556 0.001 0.000 0.301 432 H C 0.633 175.837 175.328 -0.206 0.000 1.081 432 H CA 1.590 57.544 56.048 -0.157 0.000 1.334 432 H CB 0.173 29.870 29.762 -0.108 0.000 1.385 432 H HN 0.256 nan 8.280 nan 0.000 0.504 433 G N -1.885 106.759 108.800 -0.260 0.000 2.663 433 G HA2 0.137 4.097 3.960 0.001 0.000 0.686 433 G HA3 0.137 4.097 3.960 0.001 0.000 0.686 433 G C 0.569 175.393 174.900 -0.127 0.000 1.246 433 G CA 0.241 45.157 45.100 -0.308 0.000 0.795 433 G HN 1.121 nan 8.290 nan 0.000 0.627 434 G N -1.159 107.596 108.800 -0.075 0.000 2.137 434 G HA2 0.206 4.167 3.960 0.001 0.000 0.237 434 G HA3 0.206 4.167 3.960 0.001 0.000 0.237 434 G C 0.865 175.787 174.900 0.037 0.000 1.002 434 G CA 1.269 46.373 45.100 0.008 0.000 0.702 434 G HN 2.782 nan 8.290 nan 0.000 0.515 435 T N -0.569 113.983 114.554 -0.004 0.000 2.918 435 T HA 0.489 4.839 4.350 0.001 0.000 0.302 435 T C 0.802 175.538 174.700 0.060 0.000 1.045 435 T CA 0.162 62.236 62.100 -0.043 0.000 1.114 435 T CB 1.358 70.070 68.868 -0.260 0.000 0.965 435 T HN 0.921 nan 8.240 nan 0.000 0.540 436 N N 1.660 120.417 118.700 0.095 0.000 2.364 436 N HA 0.189 4.929 4.740 0.001 0.000 0.264 436 N C 1.312 176.861 175.510 0.065 0.000 1.263 436 N CA -0.768 52.337 53.050 0.091 0.000 0.959 436 N CB 0.002 38.550 38.487 0.102 0.000 1.204 436 N HN 0.813 nan 8.380 nan 0.000 0.550 437 I N -4.232 116.293 120.570 -0.075 0.000 2.850 437 I HA -0.106 4.064 4.170 0.001 0.000 0.266 437 I C 0.601 176.565 176.117 -0.255 0.000 1.257 437 I CA 1.163 62.346 61.300 -0.196 0.000 1.465 437 I CB -0.457 37.349 38.000 -0.324 0.000 1.091 437 I HN 0.430 nan 8.210 nan 0.000 0.467 438 H N -0.969 118.147 119.070 0.076 0.000 2.648 438 H HA 0.058 4.614 4.556 0.001 0.000 0.265 438 H C 1.588 176.960 175.328 0.072 0.000 0.961 438 H CA 0.424 56.502 56.048 0.050 0.000 1.185 438 H CB -0.174 29.616 29.762 0.048 0.000 1.449 438 H HN 0.418 nan 8.280 nan 0.000 0.523 439 Y N 1.859 122.219 120.300 0.101 0.000 2.081 439 Y HA -0.262 4.288 4.550 0.001 0.000 0.280 439 Y C 2.392 178.328 175.900 0.060 0.000 1.163 439 Y CA 1.286 59.437 58.100 0.085 0.000 1.135 439 Y CB -0.421 38.092 38.460 0.088 0.000 0.970 439 Y HN 0.090 nan 8.280 nan 0.000 0.498 440 L N 0.719 121.959 121.223 0.030 0.000 2.083 440 L HA -0.193 4.147 4.340 0.001 0.000 0.209 440 L C 2.247 179.043 176.870 -0.124 0.000 1.083 440 L CA 2.146 56.945 54.840 -0.069 0.000 0.752 440 L CB -0.863 41.205 42.059 0.014 0.000 0.899 440 L HN 0.328 nan 8.230 nan 0.000 0.433 441 E N -0.563 119.589 120.200 -0.079 0.000 2.110 441 E HA -0.265 4.085 4.350 0.001 0.000 0.193 441 E C 2.081 178.633 176.600 -0.080 0.000 0.988 441 E CA 1.569 57.928 56.400 -0.069 0.000 0.804 441 E CB 0.004 29.684 29.700 -0.033 0.000 0.745 441 E HN 0.656 nan 8.360 nan 0.000 0.458 442 K N 0.369 120.701 120.400 -0.114 0.000 2.243 442 K HA -0.042 4.279 4.320 0.001 0.000 0.201 442 K C 2.029 178.527 176.600 -0.170 0.000 1.051 442 K CA 0.807 57.023 56.287 -0.118 0.000 0.970 442 K CB 0.042 32.492 32.500 -0.084 0.000 0.755 442 K HN -0.134 nan 8.250 nan 0.000 0.465 443 K N 0.716 120.935 120.400 -0.302 0.000 2.147 443 K HA -0.077 4.243 4.320 0.001 0.000 0.205 443 K C 1.046 177.575 176.600 -0.118 0.000 1.049 443 K CA 0.832 56.956 56.287 -0.272 0.000 0.936 443 K CB 0.085 32.330 32.500 -0.426 0.000 0.722 443 K HN 0.135 nan 8.250 nan 0.000 0.446 444 L N 0.137 121.309 121.223 -0.085 0.000 2.611 444 L HA 0.141 4.482 4.340 0.001 0.000 0.229 444 L C 1.568 178.434 176.870 -0.007 0.000 1.137 444 L CA 0.713 55.546 54.840 -0.012 0.000 0.901 444 L CB 0.460 42.538 42.059 0.033 0.000 1.098 444 L HN 0.210 nan 8.230 nan 0.000 0.456 445 G N -1.563 107.217 108.800 -0.033 0.000 3.277 445 G HA2 0.520 4.481 3.960 0.001 0.000 0.243 445 G HA3 0.520 4.481 3.960 0.001 0.000 0.243 445 G C 0.058 174.947 174.900 -0.018 0.000 1.107 445 G CA 0.915 46.002 45.100 -0.022 0.000 0.771 445 G HN 0.231 nan 8.290 nan 0.000 0.544 446 L N 0.000 121.212 121.223 -0.018 0.000 2.949 446 L HA 0.000 4.340 4.340 0.001 0.000 0.249 446 L CA 0.000 nan 54.840 nan 0.000 0.813 446 L CB 0.000 nan 42.059 nan 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502