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 1szr_1_D DATA FIRST_RESID 14 DATA SEQUENCE RFLEGFNTRD ALCKKISXXX XXXGDPFFVA DLGDIVRKHE TWKKCLPRVT DATA SEQUENCE PFYAVKCNDD WRVLGTLAAL GTGFDCASNT EIQRVRGIGV PPEKIIYANP DATA SEQUENCE CKQISHIRYA RDSGVDVMTF DCVDELEKVA KTHPKAKMVL RISTXXXXXX DATA SEQUENCE XXXXVKFGAK VEDCRFILEQ AKKLNIDVTG VSFHVGSGST DASTFAQAIS DATA SEQUENCE DSRFVFDMGT ELGFNMHILD IGGGFPGTRD APLKFEEIAG VINNALEKHF DATA SEQUENCE PPDLKLTIVA EPGRYYVASA FTLAVNVIAK AVTPXXXXXX XXXXXXXAQS DATA SEQUENCE FMYYVNDGVY GSFNCILYDH AVVRPLPQRE PIPNEKLYPS SVWGPTCDGL DATA SEQUENCE DQIVERYYLP EMQVGEWLLF EDMGAYTVVG TSSFNGFQSP TIYYVVS 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.313 176.300 0.021 0.000 0.893 14 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 14 R CB 0.000 30.204 30.300 -0.160 0.000 0.687 15 F N 0.756 120.826 119.950 0.200 0.000 2.399 15 F HA 0.438 4.965 4.527 0.001 0.000 0.313 15 F C 0.657 176.543 175.800 0.143 0.000 1.202 15 F CA -0.354 57.758 58.000 0.187 0.000 1.192 15 F CB 0.558 39.627 39.000 0.114 0.000 1.256 15 F HN -0.287 nan 8.300 nan 0.000 0.558 16 L N 0.661 122.081 121.223 0.328 0.000 2.409 16 L HA 0.317 4.658 4.340 0.001 0.000 0.262 16 L C -0.343 176.599 176.870 0.120 0.000 0.992 16 L CA -0.806 54.131 54.840 0.162 0.000 0.817 16 L CB 1.944 44.062 42.059 0.100 0.000 1.350 16 L HN 0.548 nan 8.230 nan 0.000 0.411 17 E N 0.774 121.016 120.200 0.070 0.000 2.374 17 E HA 0.574 4.925 4.350 0.001 0.000 0.260 17 E C -0.361 176.281 176.600 0.070 0.000 1.101 17 E CA 0.329 56.766 56.400 0.061 0.000 0.907 17 E CB 0.863 30.589 29.700 0.044 0.000 1.014 17 E HN 0.836 nan 8.360 nan 0.000 0.427 18 G N 1.407 110.268 108.800 0.103 0.000 2.528 18 G HA2 -0.157 3.804 3.960 0.001 0.000 0.681 18 G HA3 -0.157 3.804 3.960 0.001 0.000 0.681 18 G C -0.460 174.566 174.900 0.211 0.000 1.340 18 G CA -0.545 44.648 45.100 0.155 0.000 0.855 18 G HN 0.408 nan 8.290 nan 0.000 0.649 19 F N 1.577 121.530 119.950 0.005 0.000 2.000 19 F HA 0.092 4.619 4.527 0.001 0.000 0.295 19 F C 2.116 177.923 175.800 0.011 0.000 1.159 19 F CA 1.903 59.907 58.000 0.006 0.000 1.171 19 F CB -0.171 38.832 39.000 0.004 0.000 0.971 19 F HN 0.800 nan 8.300 nan 0.000 0.479 20 N N -1.313 117.525 118.700 0.229 0.000 2.643 20 N HA 0.074 4.814 4.740 0.001 0.000 0.305 20 N C 0.688 176.249 175.510 0.085 0.000 1.283 20 N CA 0.339 53.464 53.050 0.124 0.000 0.946 20 N CB 0.493 39.049 38.487 0.115 0.000 1.149 20 N HN 0.017 nan 8.380 nan 0.000 0.600 21 T N 0.725 115.317 114.554 0.062 0.000 2.770 21 T HA -0.030 4.320 4.350 0.001 0.000 0.263 21 T C 1.782 176.506 174.700 0.041 0.000 1.039 21 T CA 1.261 63.391 62.100 0.049 0.000 1.142 21 T CB -0.157 68.737 68.868 0.042 0.000 0.868 21 T HN 0.417 nan 8.240 nan 0.000 0.435 22 R N 1.159 121.681 120.500 0.036 0.000 2.148 22 R HA 0.031 4.372 4.340 0.001 0.000 0.227 22 R C 2.090 178.399 176.300 0.014 0.000 1.103 22 R CA 0.988 57.100 56.100 0.020 0.000 0.983 22 R CB -0.509 29.802 30.300 0.017 0.000 0.874 22 R HN 0.429 nan 8.270 nan 0.000 0.451 23 D N -0.161 120.256 120.400 0.029 0.000 2.123 23 D HA -0.017 4.624 4.640 0.001 0.000 0.200 23 D C 1.724 178.034 176.300 0.016 0.000 0.976 23 D CA 1.256 55.270 54.000 0.023 0.000 0.831 23 D CB 0.016 40.844 40.800 0.048 0.000 0.974 23 D HN 0.221 nan 8.370 nan 0.000 0.469 24 A N -0.082 122.757 122.820 0.031 0.000 1.969 24 A HA -0.068 4.253 4.320 0.001 0.000 0.218 24 A C 2.215 179.791 177.584 -0.013 0.000 1.169 24 A CA 0.787 52.834 52.037 0.018 0.000 0.635 24 A CB -0.684 18.340 19.000 0.041 0.000 0.810 24 A HN 0.321 nan 8.150 nan 0.000 0.445 25 L N -0.831 120.395 121.223 0.005 0.000 1.994 25 L HA -0.255 4.086 4.340 0.001 0.000 0.208 25 L C 2.693 179.522 176.870 -0.069 0.000 1.071 25 L CA 1.585 56.429 54.840 0.008 0.000 0.745 25 L CB -0.691 41.364 42.059 -0.007 0.000 0.892 25 L HN 0.473 nan 8.230 nan 0.000 0.431 26 C N -0.571 118.692 119.300 -0.063 0.000 2.422 26 C HA -0.163 4.297 4.460 0.001 0.000 0.279 26 C C 2.820 177.758 174.990 -0.087 0.000 1.305 26 C CA 0.742 59.715 59.018 -0.076 0.000 1.757 26 C CB -0.727 26.987 27.740 -0.043 0.000 1.962 26 C HN 0.428 nan 8.230 nan 0.000 0.499 27 K N 1.988 122.340 120.400 -0.080 0.000 2.002 27 K HA -0.167 4.154 4.320 0.001 0.000 0.209 27 K C 2.065 178.582 176.600 -0.139 0.000 1.048 27 K CA 1.678 57.914 56.287 -0.084 0.000 0.930 27 K CB -0.380 32.084 32.500 -0.060 0.000 0.714 27 K HN 0.424 nan 8.250 nan 0.000 0.438 28 K N 0.070 120.341 120.400 -0.215 0.000 2.211 28 K HA 0.000 4.321 4.320 0.001 0.000 0.203 28 K C -0.134 176.263 176.600 -0.339 0.000 1.050 28 K CA 0.655 56.735 56.287 -0.345 0.000 0.945 28 K CB -0.078 32.061 32.500 -0.600 0.000 0.732 28 K HN 0.169 nan 8.250 nan 0.000 0.451 29 I N 2.612 123.005 120.570 -0.295 0.000 2.574 29 I HA -0.077 4.094 4.170 0.001 0.000 0.291 29 I C -0.170 175.893 176.117 -0.089 0.000 1.131 29 I CA 0.032 61.182 61.300 -0.249 0.000 1.352 29 I CB 0.199 38.015 38.000 -0.307 0.000 1.431 29 I HN 0.230 nan 8.210 nan 0.000 0.543 38 D N 2.143 122.716 120.400 0.288 0.000 2.382 38 D HA 0.217 4.858 4.640 0.001 0.000 0.240 38 D C -1.924 174.658 176.300 0.469 0.000 1.146 38 D CA -0.385 53.792 54.000 0.293 0.000 0.897 38 D CB 2.002 42.953 40.800 0.251 0.000 1.197 38 D HN 0.205 nan 8.370 nan 0.000 0.432 39 P HA 0.227 nan 4.420 nan 0.000 0.274 39 P C -0.812 176.698 177.300 0.351 0.000 1.231 39 P CA -0.267 63.036 63.100 0.338 0.000 0.790 39 P CB 0.469 32.247 31.700 0.130 0.000 0.951 40 F N -1.256 118.742 119.950 0.080 0.000 2.641 40 F HA 0.615 5.144 4.527 0.002 0.000 0.308 40 F C -1.434 174.345 175.800 -0.036 0.000 1.105 40 F CA -1.473 56.572 58.000 0.076 0.000 0.964 40 F CB 0.725 39.816 39.000 0.152 0.000 1.294 40 F HN 0.037 nan 8.300 nan 0.000 0.442 41 F N 1.529 121.610 119.950 0.220 0.000 2.377 41 F HA 0.674 5.202 4.527 0.001 0.000 0.328 41 F C -0.112 175.781 175.800 0.155 0.000 1.094 41 F CA -0.936 57.136 58.000 0.120 0.000 1.093 41 F CB 1.904 41.021 39.000 0.195 0.000 1.214 41 F HN 0.332 nan 8.300 nan 0.000 0.518 42 V N 2.589 122.648 119.914 0.242 0.000 2.409 42 V HA 0.590 4.710 4.120 0.001 0.000 0.290 42 V C -0.518 175.495 176.094 -0.134 0.000 1.017 42 V CA -0.852 61.499 62.300 0.086 0.000 0.841 42 V CB 1.336 33.227 31.823 0.114 0.000 1.003 42 V HN 0.828 nan 8.190 nan 0.000 0.426 43 A N 3.026 125.626 122.820 -0.366 0.000 2.256 43 A HA 0.562 4.883 4.320 0.001 0.000 0.317 43 A C -0.254 177.191 177.584 -0.231 0.000 1.318 43 A CA -0.420 51.211 52.037 -0.677 0.000 0.894 43 A CB 0.457 18.705 19.000 -1.253 0.000 1.165 43 A HN 0.743 nan 8.150 nan 0.000 0.525 44 D N 3.400 123.718 120.400 -0.136 0.000 2.435 44 D HA 0.181 4.822 4.640 0.001 0.000 0.230 44 D C 1.046 177.344 176.300 -0.004 0.000 1.215 44 D CA -0.068 53.918 54.000 -0.023 0.000 0.947 44 D CB 0.172 40.975 40.800 0.005 0.000 1.048 44 D HN 0.514 nan 8.370 nan 0.000 0.512 45 L N 2.353 123.592 121.223 0.026 0.000 2.265 45 L HA -0.036 4.304 4.340 0.001 0.000 0.215 45 L C 2.284 179.163 176.870 0.014 0.000 1.117 45 L CA 1.006 55.863 54.840 0.028 0.000 0.782 45 L CB -0.138 41.947 42.059 0.043 0.000 0.914 45 L HN 0.426 nan 8.230 nan 0.000 0.441 46 G N -0.656 108.153 108.800 0.014 0.000 2.511 46 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 46 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 46 G C 1.136 176.050 174.900 0.022 0.000 1.133 46 G CA 0.570 45.676 45.100 0.010 0.000 0.792 46 G HN 0.324 nan 8.290 nan 0.000 0.539 47 D N 0.655 121.070 120.400 0.025 0.000 2.144 47 D HA -0.076 4.565 4.640 0.001 0.000 0.199 47 D C 2.436 178.756 176.300 0.034 0.000 0.984 47 D CA 0.620 54.636 54.000 0.027 0.000 0.834 47 D CB -0.129 40.690 40.800 0.031 0.000 0.955 47 D HN 0.360 nan 8.370 nan 0.000 0.465 48 I N -0.430 120.168 120.570 0.047 0.000 2.286 48 I HA -0.214 3.956 4.170 0.001 0.000 0.248 48 I C 2.289 178.477 176.117 0.119 0.000 1.115 48 I CA 0.426 61.775 61.300 0.082 0.000 1.392 48 I CB -0.167 37.846 38.000 0.022 0.000 1.065 48 I HN -0.005 nan 8.210 nan 0.000 0.418 49 V N 0.980 120.937 119.914 0.071 0.000 2.343 49 V HA -0.247 3.874 4.120 0.001 0.000 0.247 49 V C 2.530 178.708 176.094 0.140 0.000 1.051 49 V CA 1.827 64.184 62.300 0.096 0.000 1.036 49 V CB -0.694 31.156 31.823 0.045 0.000 0.654 49 V HN 0.380 nan 8.190 nan 0.000 0.451 50 R N -0.257 120.299 120.500 0.092 0.000 2.148 50 R HA -0.081 4.260 4.340 0.001 0.000 0.227 50 R C 2.317 178.675 176.300 0.096 0.000 1.103 50 R CA 0.706 56.856 56.100 0.084 0.000 0.983 50 R CB -0.197 30.132 30.300 0.049 0.000 0.874 50 R HN 0.389 nan 8.270 nan 0.000 0.451 51 K N -0.184 120.260 120.400 0.074 0.000 2.103 51 K HA -0.133 4.188 4.320 0.001 0.000 0.204 51 K C 1.847 178.616 176.600 0.280 0.000 1.052 51 K CA 1.295 57.568 56.287 -0.023 0.000 0.945 51 K CB -0.314 31.992 32.500 -0.324 0.000 0.722 51 K HN 0.245 nan 8.250 nan 0.000 0.443 52 H N 1.620 120.866 119.070 0.293 0.000 2.357 52 H HA -0.009 4.548 4.556 0.001 0.000 0.301 52 H C 1.807 177.314 175.328 0.299 0.000 1.082 52 H CA 1.470 57.749 56.048 0.386 0.000 1.342 52 H CB 0.338 30.276 29.762 0.293 0.000 1.389 52 H HN 0.111 nan 8.280 nan 0.000 0.511 53 E N -0.501 119.821 120.200 0.203 0.000 2.077 53 E HA -0.119 4.232 4.350 0.001 0.000 0.193 53 E C 2.148 178.818 176.600 0.118 0.000 0.989 53 E CA 1.604 58.067 56.400 0.105 0.000 0.800 53 E CB -0.346 29.415 29.700 0.102 0.000 0.746 53 E HN 0.515 nan 8.360 nan 0.000 0.452 54 T N 0.935 115.602 114.554 0.188 0.000 2.833 54 T HA -0.143 4.208 4.350 0.001 0.000 0.269 54 T C 1.317 176.197 174.700 0.300 0.000 1.054 54 T CA 0.843 63.084 62.100 0.234 0.000 1.135 54 T CB -0.170 68.868 68.868 0.284 0.000 0.869 54 T HN 0.374 nan 8.240 nan 0.000 0.466 55 W N 2.333 123.701 121.300 0.112 0.000 2.407 55 W HA 0.007 4.668 4.660 0.002 0.000 0.305 55 W C 1.762 178.228 176.519 -0.088 0.000 1.196 55 W CA 0.862 58.210 57.345 0.005 0.000 1.311 55 W CB -0.274 29.118 29.460 -0.113 0.000 1.135 55 W HN 0.197 nan 8.180 nan 0.000 0.514 56 K N 0.386 120.859 120.400 0.122 0.000 2.209 56 K HA -0.225 4.096 4.320 0.001 0.000 0.204 56 K C 2.107 178.679 176.600 -0.047 0.000 1.048 56 K CA 1.681 57.975 56.287 0.012 0.000 0.940 56 K CB -0.276 32.188 32.500 -0.059 0.000 0.729 56 K HN 0.104 nan 8.250 nan 0.000 0.451 57 K N 0.407 120.785 120.400 -0.038 0.000 2.098 57 K HA -0.058 4.262 4.320 0.001 0.000 0.203 57 K C 1.833 178.355 176.600 -0.130 0.000 1.051 57 K CA 1.132 57.384 56.287 -0.057 0.000 0.957 57 K CB 0.064 32.556 32.500 -0.014 0.000 0.738 57 K HN 0.093 nan 8.250 nan 0.000 0.447 58 C N 0.520 119.702 119.300 -0.197 0.000 2.512 58 C HA 0.279 4.739 4.460 0.001 0.000 0.276 58 C C 0.920 175.615 174.990 -0.491 0.000 1.368 58 C CA -0.150 58.656 59.018 -0.354 0.000 1.755 58 C CB -0.234 27.213 27.740 -0.489 0.000 2.008 58 C HN 0.388 nan 8.230 nan 0.000 0.511 59 L N 1.124 122.012 121.223 -0.559 0.000 2.551 59 L HA 0.222 4.562 4.340 0.001 0.000 0.248 59 L C -1.695 174.965 176.870 -0.350 0.000 1.509 59 L CA -0.778 53.701 54.840 -0.601 0.000 0.842 59 L CB 0.970 42.366 42.059 -1.105 0.000 1.087 59 L HN 0.020 nan 8.230 nan 0.000 0.512 60 P HA -0.090 nan 4.420 nan 0.000 0.223 60 P C 1.055 178.339 177.300 -0.026 0.000 1.151 60 P CA 0.982 64.035 63.100 -0.079 0.000 0.787 60 P CB 0.212 31.872 31.700 -0.068 0.000 0.788 61 R N -0.487 119.986 120.500 -0.046 0.000 2.297 61 R HA 0.177 4.517 4.340 0.001 0.000 0.197 61 R C 0.165 176.487 176.300 0.037 0.000 0.943 61 R CA 0.152 56.251 56.100 -0.002 0.000 1.038 61 R CB 0.215 30.504 30.300 -0.018 0.000 0.957 61 R HN 0.083 nan 8.270 nan 0.000 0.484 62 V N 1.610 121.561 119.914 0.061 0.000 2.384 62 V HA 0.167 4.288 4.120 0.001 0.000 0.287 62 V C 0.085 176.399 176.094 0.368 0.000 1.020 62 V CA -0.632 61.771 62.300 0.172 0.000 0.850 62 V CB 1.736 33.632 31.823 0.122 0.000 0.987 62 V HN 0.023 nan 8.190 nan 0.000 0.436 63 T N 8.295 123.033 114.554 0.308 0.000 2.729 63 T HA 0.285 4.636 4.350 0.001 0.000 0.296 63 T C -2.423 172.479 174.700 0.337 0.000 0.928 63 T CA -0.898 61.385 62.100 0.306 0.000 1.045 63 T CB 0.988 70.035 68.868 0.298 0.000 0.902 63 T HN 0.478 nan 8.240 nan 0.000 0.500 64 P HA 0.292 nan 4.420 nan 0.000 0.282 64 P C -0.980 176.300 177.300 -0.034 0.000 1.274 64 P CA -0.492 62.566 63.100 -0.070 0.000 0.770 64 P CB 0.242 31.619 31.700 -0.538 0.000 0.867 65 F N 3.397 123.287 119.950 -0.100 0.000 2.332 65 F HA 0.237 4.765 4.527 0.001 0.000 0.368 65 F C 0.696 176.439 175.800 -0.096 0.000 1.110 65 F CA -0.947 56.975 58.000 -0.129 0.000 1.087 65 F CB 0.296 39.275 39.000 -0.035 0.000 1.235 65 F HN 0.285 nan 8.300 nan 0.000 0.470 66 Y N 3.328 123.466 120.300 -0.271 0.000 2.620 66 Y HA 0.391 4.942 4.550 0.001 0.000 0.330 66 Y C 0.198 176.133 175.900 0.058 0.000 1.186 66 Y CA -1.001 57.006 58.100 -0.155 0.000 1.467 66 Y CB 0.529 38.749 38.460 -0.400 0.000 1.262 66 Y HN 0.647 nan 8.280 nan 0.000 0.550 67 A N 7.226 129.684 122.820 -0.602 0.000 2.437 67 A HA 0.266 4.587 4.320 0.001 0.000 0.303 67 A C 0.913 178.022 177.584 -0.791 0.000 1.324 67 A CA 0.021 51.786 52.037 -0.453 0.000 0.983 67 A CB -0.028 18.853 19.000 -0.198 0.000 1.142 67 A HN 1.017 nan 8.150 nan 0.000 0.541 68 V N 3.937 123.643 119.914 -0.346 0.000 2.626 68 V HA -0.243 3.878 4.120 0.001 0.000 0.252 68 V C 2.443 178.477 176.094 -0.100 0.000 1.067 68 V CA 2.642 64.884 62.300 -0.097 0.000 1.081 68 V CB -0.626 31.271 31.823 0.123 0.000 0.686 68 V HN 1.045 nan 8.190 nan 0.000 0.468 69 K N -0.523 119.813 120.400 -0.107 0.000 2.286 69 K HA -0.235 4.086 4.320 0.001 0.000 0.203 69 K C 2.165 178.672 176.600 -0.155 0.000 1.045 69 K CA 2.041 58.292 56.287 -0.059 0.000 0.935 69 K CB -1.362 31.155 32.500 0.028 0.000 0.737 69 K HN 0.527 nan 8.250 nan 0.000 0.460 70 C N 0.652 119.737 119.300 -0.358 0.000 2.466 70 C HA 0.065 4.526 4.460 0.001 0.000 0.278 70 C C 0.392 175.083 174.990 -0.499 0.000 1.288 70 C CA 0.806 59.328 59.018 -0.827 0.000 1.722 70 C CB -1.169 26.132 27.740 -0.733 0.000 2.017 70 C HN 0.744 nan 8.230 nan 0.000 0.488 71 N N -0.396 118.200 118.700 -0.172 0.000 2.976 71 N HA 0.116 4.857 4.740 0.001 0.000 0.249 71 N C -1.073 174.479 175.510 0.070 0.000 1.258 71 N CA 0.093 53.072 53.050 -0.119 0.000 0.864 71 N CB 0.568 38.939 38.487 -0.194 0.000 1.551 71 N HN 0.408 nan 8.380 nan 0.000 0.607 72 D N 1.712 122.126 120.400 0.023 0.000 2.395 72 D HA 0.039 4.680 4.640 0.001 0.000 0.226 72 D C -0.040 176.316 176.300 0.093 0.000 1.146 72 D CA -0.219 53.830 54.000 0.082 0.000 0.830 72 D CB -0.090 40.733 40.800 0.039 0.000 0.958 72 D HN 0.524 nan 8.370 nan 0.000 0.501 73 D N -0.452 120.002 120.400 0.090 0.000 2.443 73 D HA -0.077 4.564 4.640 0.001 0.000 0.239 73 D C 0.679 177.110 176.300 0.218 0.000 1.136 73 D CA -0.240 53.858 54.000 0.163 0.000 0.879 73 D CB 0.582 41.519 40.800 0.229 0.000 1.195 73 D HN -0.031 nan 8.370 nan 0.000 0.443 74 W N 3.115 124.411 121.300 -0.008 0.000 2.335 74 W HA -0.114 4.547 4.660 0.002 0.000 0.311 74 W C 2.116 178.566 176.519 -0.114 0.000 1.213 74 W CA 0.841 58.144 57.345 -0.070 0.000 1.274 74 W CB -0.361 29.052 29.460 -0.079 0.000 1.148 74 W HN 0.501 nan 8.180 nan 0.000 0.498 75 R N -0.561 119.959 120.500 0.034 0.000 2.115 75 R HA -0.090 4.251 4.340 0.001 0.000 0.230 75 R C 2.148 178.381 176.300 -0.111 0.000 1.111 75 R CA 1.332 57.308 56.100 -0.207 0.000 0.976 75 R CB -1.110 28.794 30.300 -0.659 0.000 0.870 75 R HN 0.074 nan 8.270 nan 0.000 0.445 76 V N 0.508 120.427 119.914 0.008 0.000 2.358 76 V HA -0.188 3.932 4.120 0.001 0.000 0.246 76 V C 2.111 178.123 176.094 -0.137 0.000 1.047 76 V CA 1.565 63.849 62.300 -0.027 0.000 1.035 76 V CB -0.380 31.476 31.823 0.054 0.000 0.658 76 V HN 0.249 nan 8.190 nan 0.000 0.452 77 L N 0.299 121.465 121.223 -0.094 0.000 2.083 77 L HA -0.063 4.278 4.340 0.001 0.000 0.209 77 L C 2.623 179.410 176.870 -0.137 0.000 1.083 77 L CA 1.744 56.530 54.840 -0.091 0.000 0.752 77 L CB -1.213 40.752 42.059 -0.157 0.000 0.899 77 L HN 0.475 nan 8.230 nan 0.000 0.433 78 G N -0.550 108.113 108.800 -0.228 0.000 2.408 78 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 78 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 78 G C 1.583 176.371 174.900 -0.186 0.000 1.150 78 G CA 1.091 46.041 45.100 -0.251 0.000 0.776 78 G HN 0.272 nan 8.290 nan 0.000 0.542 79 T N 1.401 115.849 114.554 -0.177 0.000 2.720 79 T HA -0.053 4.298 4.350 0.001 0.000 0.268 79 T C 2.389 176.952 174.700 -0.228 0.000 1.037 79 T CA 0.920 62.916 62.100 -0.173 0.000 1.144 79 T CB -0.160 68.620 68.868 -0.147 0.000 0.864 79 T HN 0.141 nan 8.240 nan 0.000 0.444 80 L N 0.504 121.567 121.223 -0.267 0.000 2.072 80 L HA 0.066 4.406 4.340 0.001 0.000 0.205 80 L C 3.005 179.684 176.870 -0.319 0.000 1.079 80 L CA 0.926 55.511 54.840 -0.426 0.000 0.752 80 L CB -0.569 41.139 42.059 -0.585 0.000 0.906 80 L HN 0.221 nan 8.230 nan 0.000 0.436 81 A N 0.007 122.803 122.820 -0.040 0.000 1.933 81 A HA -0.155 4.166 4.320 0.001 0.000 0.218 81 A C 2.426 179.944 177.584 -0.110 0.000 1.175 81 A CA 1.713 53.763 52.037 0.021 0.000 0.628 81 A CB -0.606 18.436 19.000 0.071 0.000 0.814 81 A HN 0.395 nan 8.150 nan 0.000 0.444 82 A N -0.802 121.933 122.820 -0.142 0.000 2.067 82 A HA 0.218 4.539 4.320 0.001 0.000 0.217 82 A C 1.933 179.429 177.584 -0.147 0.000 1.156 82 A CA 0.932 52.890 52.037 -0.131 0.000 0.683 82 A CB -0.385 18.539 19.000 -0.125 0.000 0.808 82 A HN 0.446 nan 8.150 nan 0.000 0.455 83 L N -1.508 119.575 121.223 -0.233 0.000 2.492 83 L HA 0.172 4.513 4.340 0.001 0.000 0.223 83 L C 1.640 178.356 176.870 -0.257 0.000 1.132 83 L CA 0.743 55.411 54.840 -0.287 0.000 0.850 83 L CB 0.003 41.722 42.059 -0.566 0.000 0.966 83 L HN 0.556 nan 8.230 nan 0.000 0.454 84 G N 0.196 108.846 108.800 -0.249 0.000 2.138 84 G HA2 -0.240 3.720 3.960 0.001 0.000 0.193 84 G HA3 -0.240 3.720 3.960 0.001 0.000 0.193 84 G C 0.376 175.117 174.900 -0.265 0.000 0.998 84 G CA 0.149 45.144 45.100 -0.174 0.000 0.668 84 G HN 0.342 nan 8.290 nan 0.000 0.516 85 T N -0.852 113.427 114.554 -0.459 0.000 2.868 85 T HA 0.655 5.006 4.350 0.001 0.000 0.292 85 T C 1.285 175.510 174.700 -0.793 0.000 1.028 85 T CA 0.618 62.344 62.100 -0.623 0.000 1.059 85 T CB 1.899 70.264 68.868 -0.838 0.000 0.991 85 T HN 1.370 nan 8.240 nan 0.000 0.531 86 G N 0.229 108.392 108.800 -1.062 0.000 2.508 86 G HA2 0.586 4.547 3.960 0.001 0.000 0.278 86 G HA3 0.586 4.547 3.960 0.001 0.000 0.278 86 G C -1.201 173.031 174.900 -1.113 0.000 1.389 86 G CA -1.006 43.304 45.100 -1.317 0.000 1.050 86 G HN 0.669 nan 8.290 nan 0.000 0.522 87 F N -0.731 119.138 119.950 -0.135 0.000 2.607 87 F HA 0.262 4.790 4.527 0.001 0.000 0.322 87 F C -0.800 175.159 175.800 0.265 0.000 1.176 87 F CA -0.967 57.097 58.000 0.107 0.000 0.977 87 F CB 2.371 41.397 39.000 0.043 0.000 1.242 87 F HN 0.336 nan 8.300 nan 0.000 0.465 88 D N 3.228 123.827 120.400 0.332 0.000 2.316 88 D HA 0.369 5.010 4.640 0.001 0.000 0.245 88 D C -1.044 175.353 176.300 0.163 0.000 1.171 88 D CA 0.125 54.256 54.000 0.218 0.000 0.856 88 D CB 0.895 41.766 40.800 0.119 0.000 1.090 88 D HN 0.449 nan 8.370 nan 0.000 0.476 89 C N 3.170 122.571 119.300 0.169 0.000 2.456 89 C HA 0.786 5.247 4.460 0.001 0.000 0.325 89 C C 1.240 176.340 174.990 0.183 0.000 1.217 89 C CA -0.547 58.540 59.018 0.114 0.000 1.687 89 C CB 0.973 28.738 27.740 0.041 0.000 2.270 89 C HN 0.774 nan 8.230 nan 0.000 0.499 90 A N 1.680 124.581 122.820 0.135 0.000 2.382 90 A HA 0.520 4.841 4.320 0.001 0.000 0.228 90 A C 0.663 178.397 177.584 0.251 0.000 1.217 90 A CA 0.455 52.619 52.037 0.212 0.000 0.923 90 A CB -0.004 19.061 19.000 0.108 0.000 0.979 90 A HN 1.081 nan 8.150 nan 0.000 0.515 91 S N -1.193 114.533 115.700 0.044 0.000 2.625 91 S HA 0.300 4.771 4.470 0.001 0.000 0.271 91 S C 0.536 174.923 174.600 -0.354 0.000 1.161 91 S CA -0.099 58.032 58.200 -0.115 0.000 0.820 91 S CB 0.572 63.696 63.200 -0.127 0.000 1.137 91 S HN 0.237 nan 8.310 nan 0.000 0.470 92 N N 1.226 119.580 118.700 -0.576 0.000 2.104 92 N HA -0.141 4.600 4.740 0.001 0.000 0.190 92 N C 1.231 176.423 175.510 -0.529 0.000 1.024 92 N CA 2.407 55.047 53.050 -0.684 0.000 0.853 92 N CB -1.702 36.163 38.487 -1.037 0.000 1.008 92 N HN 0.653 nan 8.380 nan 0.000 0.424 93 T N 0.867 115.182 114.554 -0.398 0.000 2.821 93 T HA -0.045 4.306 4.350 0.001 0.000 0.267 93 T C 1.563 176.170 174.700 -0.154 0.000 1.046 93 T CA 1.249 63.200 62.100 -0.248 0.000 1.139 93 T CB -0.107 68.653 68.868 -0.180 0.000 0.871 93 T HN 0.438 nan 8.240 nan 0.000 0.454 94 E N 0.375 120.491 120.200 -0.140 0.000 2.158 94 E HA 0.058 4.409 4.350 0.001 0.000 0.191 94 E C 2.117 178.669 176.600 -0.080 0.000 0.982 94 E CA 0.534 56.884 56.400 -0.083 0.000 0.823 94 E CB -0.118 29.550 29.700 -0.053 0.000 0.766 94 E HN 0.465 nan 8.360 nan 0.000 0.468 95 I N 1.176 121.686 120.570 -0.101 0.000 2.252 95 I HA -0.287 3.884 4.170 0.001 0.000 0.245 95 I C 2.750 178.867 176.117 -0.000 0.000 1.102 95 I CA 1.129 62.398 61.300 -0.052 0.000 1.385 95 I CB -0.178 37.793 38.000 -0.048 0.000 1.064 95 I HN 0.126 nan 8.210 nan 0.000 0.414 96 Q N 0.996 120.814 119.800 0.029 0.000 2.170 96 Q HA -0.248 4.093 4.340 0.001 0.000 0.203 96 Q C 2.344 178.347 176.000 0.004 0.000 0.976 96 Q CA 1.438 57.276 55.803 0.059 0.000 0.858 96 Q CB 0.020 28.786 28.738 0.047 0.000 0.907 96 Q HN 0.351 nan 8.270 nan 0.000 0.433 97 R N -0.180 120.304 120.500 -0.026 0.000 2.090 97 R HA -0.105 4.235 4.340 0.001 0.000 0.228 97 R C 2.264 178.518 176.300 -0.077 0.000 1.110 97 R CA 1.380 57.473 56.100 -0.011 0.000 0.973 97 R CB -0.005 30.292 30.300 -0.005 0.000 0.869 97 R HN 0.337 nan 8.270 nan 0.000 0.440 98 V N -1.684 118.133 119.914 -0.162 0.000 2.535 98 V HA 0.014 4.134 4.120 0.001 0.000 0.246 98 V C 2.061 178.014 176.094 -0.235 0.000 1.045 98 V CA 0.927 63.030 62.300 -0.329 0.000 1.058 98 V CB -0.490 31.029 31.823 -0.506 0.000 0.689 98 V HN 0.183 nan 8.190 nan 0.000 0.461 99 R N 1.270 121.694 120.500 -0.128 0.000 2.152 99 R HA -0.011 4.330 4.340 0.001 0.000 0.232 99 R C 2.390 178.648 176.300 -0.071 0.000 1.117 99 R CA 1.416 57.466 56.100 -0.083 0.000 0.981 99 R CB -0.945 29.329 30.300 -0.043 0.000 0.870 99 R HN 0.660 nan 8.270 nan 0.000 0.451 100 G N 1.519 110.288 108.800 -0.052 0.000 2.484 100 G HA2 -0.146 3.815 3.960 0.001 0.000 0.218 100 G HA3 -0.146 3.815 3.960 0.001 0.000 0.218 100 G C 1.348 176.216 174.900 -0.054 0.000 1.130 100 G CA 0.304 45.396 45.100 -0.013 0.000 0.784 100 G HN 0.453 nan 8.290 nan 0.000 0.543 101 I N -2.984 117.499 120.570 -0.146 0.000 3.884 101 I HA 0.558 4.729 4.170 0.001 0.000 0.330 101 I C 1.122 177.113 176.117 -0.210 0.000 1.451 101 I CA 0.078 61.228 61.300 -0.249 0.000 1.165 101 I CB 0.017 37.766 38.000 -0.418 0.000 1.097 101 I HN 0.084 nan 8.210 nan 0.000 0.404 102 G N 1.318 110.032 108.800 -0.143 0.000 2.171 102 G HA2 -0.184 3.777 3.960 0.001 0.000 0.238 102 G HA3 -0.184 3.777 3.960 0.001 0.000 0.238 102 G C -0.129 174.710 174.900 -0.102 0.000 1.039 102 G CA 0.047 45.081 45.100 -0.110 0.000 0.759 102 G HN 0.329 nan 8.290 nan 0.000 0.501 103 V N 2.215 122.060 119.914 -0.116 0.000 2.394 103 V HA 0.527 4.648 4.120 0.001 0.000 0.282 103 V C -1.100 174.970 176.094 -0.040 0.000 1.031 103 V CA -1.451 60.801 62.300 -0.080 0.000 0.881 103 V CB 1.674 33.414 31.823 -0.138 0.000 0.982 103 V HN 0.274 nan 8.190 nan 0.000 0.451 104 P HA 0.254 nan 4.420 nan 0.000 0.274 104 P C -2.238 175.083 177.300 0.035 0.000 1.246 104 P CA -1.761 61.343 63.100 0.007 0.000 0.795 104 P CB 0.397 32.105 31.700 0.013 0.000 1.006 105 P HA -0.101 nan 4.420 nan 0.000 0.223 105 P C 0.924 178.289 177.300 0.108 0.000 1.151 105 P CA 1.324 64.462 63.100 0.062 0.000 0.787 105 P CB 0.125 31.851 31.700 0.043 0.000 0.788 106 E N 0.554 120.817 120.200 0.106 0.000 2.107 106 E HA -0.083 4.268 4.350 0.001 0.000 0.191 106 E C 1.550 178.279 176.600 0.215 0.000 0.982 106 E CA 0.936 57.421 56.400 0.143 0.000 0.809 106 E CB -0.478 29.290 29.700 0.112 0.000 0.756 106 E HN 0.289 nan 8.360 nan 0.000 0.459 107 K N 0.461 120.958 120.400 0.162 0.000 2.546 107 K HA 0.152 4.473 4.320 0.001 0.000 0.198 107 K C -0.166 176.589 176.600 0.259 0.000 1.028 107 K CA 0.272 56.630 56.287 0.119 0.000 1.150 107 K CB 0.145 32.643 32.500 -0.003 0.000 0.876 107 K HN 0.185 nan 8.250 nan 0.000 0.508 108 I N 1.308 122.086 120.570 0.348 0.000 2.465 108 I HA 0.340 4.510 4.170 0.001 0.000 0.291 108 I C -0.301 176.030 176.117 0.357 0.000 1.014 108 I CA -0.874 60.643 61.300 0.363 0.000 1.093 108 I CB 1.750 39.871 38.000 0.203 0.000 1.267 108 I HN -0.158 nan 8.210 nan 0.000 0.431 109 I N 5.562 126.341 120.570 0.347 0.000 2.441 109 I HA 0.219 4.390 4.170 0.001 0.000 0.295 109 I C -1.007 175.244 176.117 0.224 0.000 0.994 109 I CA -0.812 60.584 61.300 0.161 0.000 1.144 109 I CB 1.886 39.832 38.000 -0.089 0.000 1.314 109 I HN 0.465 nan 8.210 nan 0.000 0.445 110 Y N 6.354 126.684 120.300 0.050 0.000 2.880 110 Y HA 0.535 5.086 4.550 0.001 0.000 0.329 110 Y C 0.286 176.186 175.900 -0.000 0.000 1.156 110 Y CA -1.956 56.172 58.100 0.045 0.000 1.348 110 Y CB 0.634 39.137 38.460 0.072 0.000 1.280 110 Y HN 0.562 nan 8.280 nan 0.000 0.516 111 A N 4.799 127.696 122.820 0.128 0.000 3.105 111 A HA 0.178 4.498 4.320 0.001 0.000 0.272 111 A C 0.157 177.660 177.584 -0.135 0.000 1.466 111 A CA -0.446 51.560 52.037 -0.052 0.000 1.101 111 A CB -1.005 17.964 19.000 -0.052 0.000 1.065 111 A HN 0.787 nan 8.150 nan 0.000 0.643 112 N N 1.041 119.612 118.700 -0.215 0.000 2.446 112 N HA 0.350 5.091 4.740 0.001 0.000 0.265 112 N C -1.964 173.301 175.510 -0.408 0.000 0.975 112 N CA -2.007 50.868 53.050 -0.292 0.000 0.928 112 N CB 1.914 40.324 38.487 -0.128 0.000 1.160 112 N HN 0.031 nan 8.380 nan 0.000 0.495 113 P HA 0.081 nan 4.420 nan 0.000 0.236 113 P C -0.435 176.730 177.300 -0.226 0.000 1.177 113 P CA 0.337 63.206 63.100 -0.385 0.000 0.773 113 P CB 0.166 31.551 31.700 -0.525 0.000 0.878 114 C N 1.419 120.599 119.300 -0.199 0.000 2.521 114 C HA 0.401 4.862 4.460 0.001 0.000 0.291 114 C C 0.191 175.179 174.990 -0.002 0.000 1.074 114 C CA -0.707 58.301 59.018 -0.016 0.000 1.495 114 C CB -0.352 27.477 27.740 0.149 0.000 1.862 114 C HN 0.072 nan 8.230 nan 0.000 0.418 115 K N 1.604 121.988 120.400 -0.027 0.000 2.244 115 K HA 0.401 4.722 4.320 0.001 0.000 0.260 115 K C -0.136 176.484 176.600 0.033 0.000 0.951 115 K CA -0.334 55.965 56.287 0.019 0.000 0.826 115 K CB 1.533 34.001 32.500 -0.052 0.000 1.108 115 K HN 0.628 nan 8.250 nan 0.000 0.433 116 Q N 2.965 122.771 119.800 0.010 0.000 2.315 116 Q HA -0.041 4.300 4.340 0.001 0.000 0.289 116 Q C 0.868 176.843 176.000 -0.041 0.000 1.044 116 Q CA 0.158 55.896 55.803 -0.107 0.000 0.920 116 Q CB 0.543 29.032 28.738 -0.413 0.000 1.214 116 Q HN 0.667 nan 8.270 nan 0.000 0.392 117 I N 2.192 122.745 120.570 -0.028 0.000 2.151 117 I HA -0.365 3.806 4.170 0.001 0.000 0.243 117 I C 2.282 178.426 176.117 0.045 0.000 1.080 117 I CA 1.745 63.055 61.300 0.017 0.000 1.339 117 I CB -0.542 37.462 38.000 0.007 0.000 1.039 117 I HN 0.769 nan 8.210 nan 0.000 0.409 118 S N -0.031 115.671 115.700 0.003 0.000 2.399 118 S HA -0.235 4.236 4.470 0.001 0.000 0.231 118 S C 2.031 176.762 174.600 0.219 0.000 1.022 118 S CA 1.398 59.638 58.200 0.067 0.000 0.983 118 S CB -0.357 62.855 63.200 0.019 0.000 0.803 118 S HN 0.445 nan 8.310 nan 0.000 0.480 119 H N 1.083 120.218 119.070 0.109 0.000 2.395 119 H HA 0.168 4.725 4.556 0.001 0.000 0.299 119 H C 2.089 177.566 175.328 0.248 0.000 1.070 119 H CA 1.238 57.377 56.048 0.152 0.000 1.356 119 H CB -0.648 29.219 29.762 0.175 0.000 1.401 119 H HN 0.443 nan 8.280 nan 0.000 0.524 120 I N 0.270 121.058 120.570 0.363 0.000 2.226 120 I HA -0.253 3.918 4.170 0.001 0.000 0.245 120 I C 2.750 178.960 176.117 0.154 0.000 1.100 120 I CA 1.071 62.559 61.300 0.314 0.000 1.374 120 I CB -0.208 37.914 38.000 0.204 0.000 1.057 120 I HN 0.106 nan 8.210 nan 0.000 0.413 121 R N -0.004 120.566 120.500 0.116 0.000 2.105 121 R HA -0.259 4.081 4.340 0.001 0.000 0.239 121 R C 2.458 178.773 176.300 0.025 0.000 1.135 121 R CA 1.878 58.001 56.100 0.038 0.000 0.967 121 R CB -0.372 29.966 30.300 0.062 0.000 0.861 121 R HN 0.375 nan 8.270 nan 0.000 0.442 122 Y N 0.054 120.352 120.300 -0.004 0.000 2.263 122 Y HA -0.078 4.473 4.550 0.001 0.000 0.292 122 Y C 2.035 177.882 175.900 -0.089 0.000 1.130 122 Y CA 1.327 59.403 58.100 -0.040 0.000 1.179 122 Y CB -0.160 38.282 38.460 -0.030 0.000 0.998 122 Y HN 0.143 nan 8.280 nan 0.000 0.532 123 A N 0.794 123.639 122.820 0.041 0.000 1.898 123 A HA -0.173 4.148 4.320 0.001 0.000 0.216 123 A C 2.358 179.850 177.584 -0.154 0.000 1.181 123 A CA 1.607 53.617 52.037 -0.045 0.000 0.620 123 A CB -0.809 18.246 19.000 0.092 0.000 0.819 123 A HN 0.531 nan 8.150 nan 0.000 0.442 124 R N -0.104 120.192 120.500 -0.339 0.000 2.094 124 R HA -0.194 4.146 4.340 0.001 0.000 0.239 124 R C 1.062 177.191 176.300 -0.285 0.000 1.137 124 R CA 2.080 57.809 56.100 -0.618 0.000 0.943 124 R CB -0.478 29.327 30.300 -0.824 0.000 0.850 124 R HN 0.411 nan 8.270 nan 0.000 0.433 125 D N -0.340 119.901 120.400 -0.264 0.000 2.350 125 D HA -0.067 4.574 4.640 0.001 0.000 0.216 125 D C 1.259 177.410 176.300 -0.249 0.000 0.968 125 D CA 0.781 54.647 54.000 -0.224 0.000 0.894 125 D CB 0.168 40.833 40.800 -0.225 0.000 0.909 125 D HN 0.160 nan 8.370 nan 0.000 0.520 126 S N -1.284 114.240 115.700 -0.293 0.000 2.556 126 S HA 0.307 4.778 4.470 0.001 0.000 0.216 126 S C 1.462 175.992 174.600 -0.116 0.000 0.970 126 S CA 0.677 58.726 58.200 -0.252 0.000 0.912 126 S CB 0.104 63.095 63.200 -0.349 0.000 0.790 126 S HN 0.369 nan 8.310 nan 0.000 0.504 127 G N 0.352 109.110 108.800 -0.070 0.000 2.195 127 G HA2 -0.225 3.736 3.960 0.001 0.000 0.246 127 G HA3 -0.225 3.736 3.960 0.001 0.000 0.246 127 G C 0.096 175.030 174.900 0.057 0.000 0.984 127 G CA 0.167 45.268 45.100 0.001 0.000 0.633 127 G HN 0.501 nan 8.290 nan 0.000 0.525 128 V N 1.918 121.869 119.914 0.061 0.000 2.405 128 V HA 0.340 4.460 4.120 0.001 0.000 0.264 128 V C 0.727 176.969 176.094 0.247 0.000 1.048 128 V CA 0.501 62.878 62.300 0.128 0.000 0.966 128 V CB 1.364 33.244 31.823 0.094 0.000 1.015 128 V HN 0.278 nan 8.190 nan 0.000 0.477 129 D N 2.741 123.264 120.400 0.206 0.000 2.431 129 D HA 0.074 4.714 4.640 0.001 0.000 0.227 129 D C 0.657 177.007 176.300 0.084 0.000 1.030 129 D CA 0.533 54.633 54.000 0.166 0.000 0.897 129 D CB 0.712 41.563 40.800 0.085 0.000 1.058 129 D HN 0.374 nan 8.370 nan 0.000 0.500 130 V N 3.085 123.060 119.914 0.101 0.000 2.439 130 V HA 0.198 4.319 4.120 0.001 0.000 0.271 130 V C 0.418 176.567 176.094 0.091 0.000 1.040 130 V CA 0.390 62.724 62.300 0.058 0.000 1.002 130 V CB 0.305 32.143 31.823 0.025 0.000 1.000 130 V HN 0.004 nan 8.190 nan 0.000 0.477 131 M N 3.944 123.570 119.600 0.043 0.000 2.691 131 M HA 0.591 5.072 4.480 0.001 0.000 0.293 131 M C -0.128 176.163 176.300 -0.014 0.000 1.259 131 M CA -0.627 54.676 55.300 0.005 0.000 0.827 131 M CB 2.730 35.310 32.600 -0.033 0.000 1.753 131 M HN 0.596 nan 8.290 nan 0.000 0.465 132 T N -0.829 113.682 114.554 -0.072 0.000 2.952 132 T HA 0.906 5.257 4.350 0.001 0.000 0.286 132 T C -0.775 173.962 174.700 0.061 0.000 1.024 132 T CA -0.634 61.444 62.100 -0.035 0.000 1.029 132 T CB 1.620 70.395 68.868 -0.155 0.000 1.094 132 T HN 0.692 nan 8.240 nan 0.000 0.515 133 F N -0.565 119.281 119.950 -0.172 0.000 2.719 133 F HA 0.621 5.149 4.527 0.001 0.000 0.309 133 F C -0.987 174.752 175.800 -0.103 0.000 1.138 133 F CA -1.017 56.895 58.000 -0.146 0.000 0.943 133 F CB 1.254 40.180 39.000 -0.125 0.000 1.304 133 F HN 0.609 nan 8.300 nan 0.000 0.445 134 D N 0.039 120.367 120.400 -0.121 0.000 2.539 134 D HA 0.269 4.910 4.640 0.001 0.000 0.232 134 D C -0.108 176.200 176.300 0.014 0.000 1.256 134 D CA 0.272 54.176 54.000 -0.160 0.000 0.810 134 D CB 0.248 41.017 40.800 -0.052 0.000 1.090 134 D HN 0.971 nan 8.370 nan 0.000 0.519 135 C N -2.168 117.234 119.300 0.170 0.000 3.332 135 C HA 0.656 5.117 4.460 0.001 0.000 0.329 135 C C 1.525 176.640 174.990 0.210 0.000 1.434 135 C CA -0.622 58.501 59.018 0.175 0.000 1.314 135 C CB 1.057 28.875 27.740 0.131 0.000 1.664 135 C HN -0.083 nan 8.230 nan 0.000 0.457 136 V N 1.198 121.189 119.914 0.129 0.000 2.453 136 V HA -0.101 4.020 4.120 0.001 0.000 0.247 136 V C 2.308 178.419 176.094 0.027 0.000 1.048 136 V CA 2.416 64.746 62.300 0.051 0.000 1.049 136 V CB -0.678 31.149 31.823 0.007 0.000 0.672 136 V HN 0.960 nan 8.190 nan 0.000 0.457 137 D N -0.149 120.283 120.400 0.053 0.000 2.149 137 D HA -0.222 4.418 4.640 0.001 0.000 0.198 137 D C 2.169 178.479 176.300 0.017 0.000 0.990 137 D CA 1.569 55.590 54.000 0.035 0.000 0.839 137 D CB 0.151 40.981 40.800 0.049 0.000 0.948 137 D HN 0.464 nan 8.370 nan 0.000 0.460 138 E N 0.549 120.769 120.200 0.034 0.000 2.153 138 E HA -0.095 4.255 4.350 0.001 0.000 0.194 138 E C 2.292 178.847 176.600 -0.074 0.000 0.988 138 E CA 0.544 56.950 56.400 0.009 0.000 0.811 138 E CB -0.194 29.549 29.700 0.072 0.000 0.746 138 E HN 0.294 nan 8.360 nan 0.000 0.466 139 L N 0.160 121.304 121.223 -0.133 0.000 2.109 139 L HA -0.089 4.252 4.340 0.001 0.000 0.207 139 L C 2.260 179.052 176.870 -0.130 0.000 1.086 139 L CA 1.187 55.887 54.840 -0.234 0.000 0.760 139 L CB -0.427 41.446 42.059 -0.311 0.000 0.910 139 L HN 0.151 nan 8.230 nan 0.000 0.437 140 E N 0.373 120.528 120.200 -0.075 0.000 2.118 140 E HA -0.247 4.104 4.350 0.001 0.000 0.195 140 E C 2.145 178.726 176.600 -0.032 0.000 0.992 140 E CA 1.110 57.484 56.400 -0.044 0.000 0.804 140 E CB -0.013 29.674 29.700 -0.021 0.000 0.741 140 E HN 0.381 nan 8.360 nan 0.000 0.458 141 K N 0.467 120.850 120.400 -0.028 0.000 2.025 141 K HA -0.110 4.210 4.320 0.001 0.000 0.207 141 K C 2.157 178.752 176.600 -0.007 0.000 1.049 141 K CA 1.053 57.334 56.287 -0.011 0.000 0.933 141 K CB -0.008 32.489 32.500 -0.005 0.000 0.714 141 K HN -0.021 nan 8.250 nan 0.000 0.438 142 V N 1.088 120.980 119.914 -0.036 0.000 2.515 142 V HA -0.222 3.899 4.120 0.001 0.000 0.250 142 V C 2.221 178.301 176.094 -0.022 0.000 1.058 142 V CA 1.865 64.148 62.300 -0.028 0.000 1.064 142 V CB -0.465 31.290 31.823 -0.113 0.000 0.675 142 V HN 0.362 nan 8.190 nan 0.000 0.461 143 A N 0.024 122.817 122.820 -0.045 0.000 1.898 143 A HA -0.194 4.127 4.320 0.001 0.000 0.216 143 A C 2.270 179.852 177.584 -0.004 0.000 1.181 143 A CA 1.700 53.717 52.037 -0.034 0.000 0.620 143 A CB -0.340 18.633 19.000 -0.044 0.000 0.819 143 A HN 0.541 nan 8.150 nan 0.000 0.442 144 K N -1.086 119.314 120.400 0.001 0.000 2.217 144 K HA -0.014 4.307 4.320 0.001 0.000 0.202 144 K C 1.423 178.039 176.600 0.027 0.000 1.051 144 K CA 1.602 57.896 56.287 0.012 0.000 0.952 144 K CB -0.013 32.492 32.500 0.009 0.000 0.736 144 K HN 0.496 nan 8.250 nan 0.000 0.453 145 T N -1.758 112.823 114.554 0.046 0.000 3.058 145 T HA 0.017 4.367 4.350 0.001 0.000 0.247 145 T C 0.169 174.942 174.700 0.123 0.000 0.987 145 T CA 0.178 62.316 62.100 0.065 0.000 1.062 145 T CB 0.249 69.155 68.868 0.063 0.000 1.048 145 T HN 0.234 nan 8.240 nan 0.000 0.468 146 H N 1.872 120.944 119.070 0.005 0.000 2.439 146 H HA 0.226 4.783 4.556 0.001 0.000 0.228 146 H C -2.115 173.207 175.328 -0.010 0.000 1.423 146 H CA -2.038 54.015 56.048 0.008 0.000 1.386 146 H CB 1.474 31.253 29.762 0.028 0.000 1.641 146 H HN 0.033 nan 8.280 nan 0.000 0.508 147 P HA -0.115 nan 4.420 nan 0.000 0.225 147 P C 0.526 177.789 177.300 -0.062 0.000 1.148 147 P CA 0.870 63.962 63.100 -0.013 0.000 0.779 147 P CB 0.244 31.949 31.700 0.008 0.000 0.780 148 K N -0.385 119.970 120.400 -0.075 0.000 2.493 148 K HA 0.355 4.676 4.320 0.001 0.000 0.207 148 K C 0.521 176.977 176.600 -0.240 0.000 1.033 148 K CA -0.404 55.824 56.287 -0.098 0.000 1.161 148 K CB 0.505 32.996 32.500 -0.015 0.000 0.873 148 K HN 0.029 nan 8.250 nan 0.000 0.491 149 A N 1.539 124.087 122.820 -0.454 0.000 2.425 149 A HA 0.156 4.477 4.320 0.001 0.000 0.249 149 A C -0.369 177.089 177.584 -0.211 0.000 1.084 149 A CA -0.135 51.594 52.037 -0.514 0.000 0.781 149 A CB 0.202 18.841 19.000 -0.600 0.000 1.019 149 A HN 0.179 nan 8.150 nan 0.000 0.490 150 K N 2.512 122.842 120.400 -0.117 0.000 2.273 150 K HA 0.306 4.627 4.320 0.001 0.000 0.287 150 K C -0.467 176.109 176.600 -0.040 0.000 1.089 150 K CA 0.146 56.410 56.287 -0.039 0.000 0.909 150 K CB 0.564 33.079 32.500 0.024 0.000 1.123 150 K HN 0.583 nan 8.250 nan 0.000 0.473 151 M N 2.650 122.224 119.600 -0.045 0.000 2.318 151 M HA 0.307 4.788 4.480 0.001 0.000 0.347 151 M C -0.465 175.917 176.300 0.137 0.000 1.175 151 M CA -0.921 54.391 55.300 0.019 0.000 1.075 151 M CB 1.539 34.040 32.600 -0.165 0.000 1.614 151 M HN 0.163 nan 8.290 nan 0.000 0.456 152 V N 4.583 124.601 119.914 0.173 0.000 2.378 152 V HA 0.275 4.396 4.120 0.001 0.000 0.288 152 V C -0.442 175.544 176.094 -0.180 0.000 1.016 152 V CA -0.930 61.374 62.300 0.006 0.000 0.840 152 V CB 1.761 33.539 31.823 -0.075 0.000 0.994 152 V HN 0.685 nan 8.190 nan 0.000 0.431 153 L N 6.336 127.331 121.223 -0.380 0.000 2.485 153 L HA 0.342 4.683 4.340 0.001 0.000 0.279 153 L C 0.587 177.197 176.870 -0.433 0.000 1.124 153 L CA 0.321 54.658 54.840 -0.837 0.000 0.888 153 L CB 0.067 41.759 42.059 -0.612 0.000 1.217 153 L HN 0.694 nan 8.230 nan 0.000 0.464 154 R N 5.800 126.048 120.500 -0.420 0.000 2.401 154 R HA 0.447 4.788 4.340 0.001 0.000 0.299 154 R C -0.331 175.893 176.300 -0.126 0.000 1.064 154 R CA -0.183 55.799 56.100 -0.197 0.000 1.000 154 R CB 0.245 30.438 30.300 -0.178 0.000 0.973 154 R HN 0.799 nan 8.270 nan 0.000 0.438 155 I N 0.639 121.208 120.570 -0.001 0.000 2.750 155 I HA 0.453 4.624 4.170 0.001 0.000 0.308 155 I C -0.101 176.054 176.117 0.065 0.000 1.016 155 I CA -0.956 60.361 61.300 0.028 0.000 1.098 155 I CB 2.039 40.073 38.000 0.057 0.000 1.279 155 I HN 0.568 nan 8.210 nan 0.000 0.454 156 S N 2.826 118.549 115.700 0.039 0.000 2.564 156 S HA 0.392 4.863 4.470 0.001 0.000 0.278 156 S C 0.157 174.753 174.600 -0.007 0.000 1.333 156 S CA -0.222 57.997 58.200 0.032 0.000 1.048 156 S CB 0.322 63.534 63.200 0.020 0.000 0.900 156 S HN 0.784 nan 8.310 nan 0.000 0.505 169 K N 1.148 121.449 120.400 -0.164 0.000 1.980 169 K HA 0.193 4.514 4.320 0.001 0.000 0.208 169 K C 0.386 176.738 176.600 -0.414 0.000 1.043 169 K CA 1.874 57.930 56.287 -0.384 0.000 0.938 169 K CB -0.081 32.075 32.500 -0.572 0.000 0.724 169 K HN 0.445 nan 8.250 nan 0.000 0.438 170 F N -1.119 118.833 119.950 0.002 0.000 2.598 170 F HA 0.544 5.072 4.527 0.001 0.000 0.327 170 F C -0.075 175.723 175.800 -0.003 0.000 1.057 170 F CA -0.646 57.352 58.000 -0.005 0.000 0.957 170 F CB 2.576 41.568 39.000 -0.013 0.000 1.278 170 F HN 0.276 nan 8.300 nan 0.000 0.484 171 G N 1.076 110.003 108.800 0.212 0.000 3.444 171 G HA2 0.314 4.274 3.960 0.001 0.000 0.685 171 G HA3 0.314 4.274 3.960 0.001 0.000 0.685 171 G C -1.144 173.789 174.900 0.055 0.000 1.145 171 G CA -0.809 44.349 45.100 0.096 0.000 0.973 171 G HN 1.012 nan 8.290 nan 0.000 0.525 172 A N 2.933 125.759 122.820 0.011 0.000 2.454 172 A HA 0.636 4.956 4.320 0.001 0.000 0.260 172 A C 0.933 178.532 177.584 0.025 0.000 1.106 172 A CA 0.261 52.305 52.037 0.011 0.000 0.780 172 A CB 0.315 19.294 19.000 -0.035 0.000 1.044 172 A HN 0.809 nan 8.150 nan 0.000 0.498 173 K N 1.328 121.751 120.400 0.038 0.000 2.414 173 K HA 0.136 4.457 4.320 0.001 0.000 0.272 173 K C 1.475 178.112 176.600 0.061 0.000 0.993 173 K CA 0.319 56.630 56.287 0.041 0.000 0.964 173 K CB 0.810 33.331 32.500 0.037 0.000 0.925 173 K HN 0.621 nan 8.250 nan 0.000 0.487 174 V N 0.313 120.273 119.914 0.078 0.000 2.594 174 V HA -0.229 3.892 4.120 0.001 0.000 0.253 174 V C 1.736 177.933 176.094 0.172 0.000 1.069 174 V CA 1.537 63.922 62.300 0.142 0.000 1.082 174 V CB -0.687 31.253 31.823 0.195 0.000 0.680 174 V HN 0.819 nan 8.190 nan 0.000 0.469 175 E N 0.677 120.952 120.200 0.124 0.000 2.208 175 E HA -0.193 4.157 4.350 0.001 0.000 0.193 175 E C 1.311 177.976 176.600 0.109 0.000 0.988 175 E CA 1.367 57.838 56.400 0.118 0.000 0.828 175 E CB -0.495 29.247 29.700 0.070 0.000 0.763 175 E HN 0.619 nan 8.360 nan 0.000 0.478 176 D N 0.494 120.955 120.400 0.102 0.000 2.348 176 D HA 0.023 4.663 4.640 0.001 0.000 0.211 176 D C 1.565 177.960 176.300 0.159 0.000 0.998 176 D CA 0.186 54.266 54.000 0.134 0.000 0.873 176 D CB -0.281 40.593 40.800 0.122 0.000 0.925 176 D HN 0.181 nan 8.370 nan 0.000 0.524 177 C N 0.580 119.941 119.300 0.101 0.000 2.432 177 C HA -0.027 4.434 4.460 0.001 0.000 0.280 177 C C 2.621 177.637 174.990 0.042 0.000 1.353 177 C CA 0.226 59.272 59.018 0.047 0.000 1.766 177 C CB -0.635 27.104 27.740 -0.003 0.000 1.924 177 C HN 0.334 nan 8.230 nan 0.000 0.509 178 R N 0.042 120.586 120.500 0.074 0.000 2.062 178 R HA -0.137 4.203 4.340 0.001 0.000 0.231 178 R C 2.147 178.528 176.300 0.135 0.000 1.136 178 R CA 1.769 57.915 56.100 0.077 0.000 0.948 178 R CB -0.642 29.713 30.300 0.092 0.000 0.845 178 R HN 0.450 nan 8.270 nan 0.000 0.430 179 F N 1.177 121.149 119.950 0.036 0.000 2.161 179 F HA -0.152 4.375 4.527 0.001 0.000 0.300 179 F C 1.760 177.592 175.800 0.053 0.000 1.089 179 F CA 1.442 59.468 58.000 0.043 0.000 1.282 179 F CB -0.112 38.912 39.000 0.039 0.000 1.010 179 F HN 0.040 nan 8.300 nan 0.000 0.485 180 I N -0.272 120.307 120.570 0.016 0.000 2.286 180 I HA -0.287 3.884 4.170 0.001 0.000 0.245 180 I C 2.174 178.260 176.117 -0.050 0.000 1.104 180 I CA 1.104 62.375 61.300 -0.048 0.000 1.397 180 I CB -0.393 37.654 38.000 0.078 0.000 1.072 180 I HN 0.119 nan 8.210 nan 0.000 0.417 181 L N 0.012 121.229 121.223 -0.010 0.000 2.376 181 L HA -0.111 4.230 4.340 0.001 0.000 0.219 181 L C 2.267 179.223 176.870 0.144 0.000 1.133 181 L CA 0.884 55.734 54.840 0.016 0.000 0.816 181 L CB -0.398 41.669 42.059 0.014 0.000 0.933 181 L HN 0.255 nan 8.230 nan 0.000 0.449 182 E N -0.407 119.811 120.200 0.030 0.000 2.046 182 E HA -0.178 4.173 4.350 0.001 0.000 0.190 182 E C 2.184 178.750 176.600 -0.057 0.000 0.982 182 E CA 0.693 57.097 56.400 0.007 0.000 0.800 182 E CB 0.097 29.784 29.700 -0.021 0.000 0.756 182 E HN 0.403 nan 8.360 nan 0.000 0.449 183 Q N 0.073 119.753 119.800 -0.200 0.000 2.170 183 Q HA -0.102 4.239 4.340 0.001 0.000 0.203 183 Q C 2.083 178.029 176.000 -0.089 0.000 0.976 183 Q CA 1.226 56.905 55.803 -0.208 0.000 0.858 183 Q CB -0.239 28.281 28.738 -0.363 0.000 0.907 183 Q HN 0.227 nan 8.270 nan 0.000 0.433 184 A N 0.867 123.667 122.820 -0.032 0.000 1.969 184 A HA -0.168 4.153 4.320 0.001 0.000 0.218 184 A C 2.149 179.843 177.584 0.182 0.000 1.169 184 A CA 1.623 53.666 52.037 0.011 0.000 0.635 184 A CB -0.230 18.726 19.000 -0.073 0.000 0.810 184 A HN 0.167 nan 8.150 nan 0.000 0.445 185 K N 0.463 121.024 120.400 0.268 0.000 2.026 185 K HA -0.079 4.242 4.320 0.001 0.000 0.208 185 K C 1.875 178.481 176.600 0.010 0.000 1.048 185 K CA 1.828 58.179 56.287 0.108 0.000 0.929 185 K CB -0.202 32.289 32.500 -0.014 0.000 0.713 185 K HN 0.467 nan 8.250 nan 0.000 0.439 186 K N -0.093 120.304 120.400 -0.005 0.000 2.147 186 K HA -0.057 4.264 4.320 0.001 0.000 0.205 186 K C 1.618 178.203 176.600 -0.026 0.000 1.049 186 K CA 1.118 57.390 56.287 -0.026 0.000 0.936 186 K CB -0.041 32.438 32.500 -0.036 0.000 0.722 186 K HN 0.151 nan 8.250 nan 0.000 0.446 187 L N 0.495 121.702 121.223 -0.027 0.000 2.591 187 L HA 0.049 4.390 4.340 0.001 0.000 0.228 187 L C 0.072 176.925 176.870 -0.028 0.000 1.133 187 L CA -0.175 54.642 54.840 -0.038 0.000 0.880 187 L CB -0.392 41.627 42.059 -0.066 0.000 1.033 187 L HN 0.258 nan 8.230 nan 0.000 0.450 188 N N 0.461 119.157 118.700 -0.007 0.000 2.735 188 N HA -0.189 4.552 4.740 0.001 0.000 0.248 188 N C -0.322 175.194 175.510 0.010 0.000 1.083 188 N CA 0.320 53.369 53.050 -0.000 0.000 0.703 188 N CB -0.701 37.775 38.487 -0.018 0.000 1.005 188 N HN 0.043 nan 8.380 nan 0.000 0.550 189 I N 0.395 120.981 120.570 0.027 0.000 2.529 189 I HA 0.065 4.235 4.170 0.001 0.000 0.284 189 I C 0.919 177.084 176.117 0.080 0.000 1.082 189 I CA -0.128 61.156 61.300 -0.026 0.000 1.406 189 I CB 0.842 38.743 38.000 -0.165 0.000 1.405 189 I HN 0.149 nan 8.210 nan 0.000 0.548 190 D N 6.584 126.994 120.400 0.017 0.000 2.551 190 D HA 0.088 4.729 4.640 0.001 0.000 0.223 190 D C -0.313 176.002 176.300 0.026 0.000 1.144 190 D CA -0.162 53.881 54.000 0.071 0.000 1.025 190 D CB -0.008 40.806 40.800 0.023 0.000 1.085 190 D HN 0.126 nan 8.370 nan 0.000 0.506 191 V N 2.960 122.864 119.914 -0.016 0.000 2.479 191 V HA 0.117 4.238 4.120 0.001 0.000 0.281 191 V C 1.637 177.690 176.094 -0.068 0.000 1.031 191 V CA 0.568 62.754 62.300 -0.190 0.000 1.038 191 V CB 0.874 32.279 31.823 -0.696 0.000 0.981 191 V HN 0.620 nan 8.190 nan 0.000 0.478 192 T N 0.530 115.056 114.554 -0.046 0.000 3.111 192 T HA 0.579 4.929 4.350 0.001 0.000 0.284 192 T C 0.438 175.041 174.700 -0.161 0.000 0.983 192 T CA 0.283 62.379 62.100 -0.008 0.000 0.900 192 T CB 0.503 69.430 68.868 0.097 0.000 1.132 192 T HN 1.098 nan 8.240 nan 0.000 0.531 193 G N 0.228 108.922 108.800 -0.177 0.000 2.342 193 G HA2 0.510 4.470 3.960 0.001 0.000 0.297 193 G HA3 0.510 4.470 3.960 0.001 0.000 0.297 193 G C -2.269 172.588 174.900 -0.072 0.000 1.313 193 G CA -0.453 44.564 45.100 -0.139 0.000 0.830 193 G HN 0.335 nan 8.290 nan 0.000 0.506 194 V N 0.571 120.522 119.914 0.062 0.000 2.709 194 V HA 0.815 4.936 4.120 0.001 0.000 0.308 194 V C 0.086 176.184 176.094 0.006 0.000 1.062 194 V CA -0.215 62.119 62.300 0.057 0.000 0.901 194 V CB 1.642 33.602 31.823 0.228 0.000 1.003 194 V HN 1.463 nan 8.190 nan 0.000 0.425 195 S N 3.799 119.471 115.700 -0.047 0.000 2.599 195 S HA 0.977 5.448 4.470 0.001 0.000 0.294 195 S C -1.000 173.607 174.600 0.011 0.000 1.094 195 S CA -0.607 57.526 58.200 -0.112 0.000 0.931 195 S CB 2.409 65.521 63.200 -0.148 0.000 1.093 195 S HN 1.090 nan 8.310 nan 0.000 0.488 196 F N -1.236 118.719 119.950 0.009 0.000 2.715 196 F HA 0.823 5.350 4.527 0.001 0.000 0.318 196 F C -1.133 174.715 175.800 0.080 0.000 1.141 196 F CA -1.078 56.933 58.000 0.018 0.000 0.950 196 F CB 1.061 40.053 39.000 -0.013 0.000 1.374 196 F HN 0.857 nan 8.300 nan 0.000 0.477 197 H N 0.286 119.505 119.070 0.249 0.000 3.108 197 H HA 0.587 5.143 4.556 0.001 0.000 0.329 197 H C -0.626 174.731 175.328 0.048 0.000 0.978 197 H CA -0.668 55.446 56.048 0.110 0.000 1.413 197 H CB 1.931 31.723 29.762 0.051 0.000 1.670 197 H HN 0.545 nan 8.280 nan 0.000 0.512 198 V N 3.656 123.310 119.914 -0.434 0.000 2.346 198 V HA 0.250 4.370 4.120 0.001 0.000 0.244 198 V C 1.354 177.164 176.094 -0.474 0.000 1.037 198 V CA 1.352 63.333 62.300 -0.532 0.000 1.029 198 V CB -0.916 30.294 31.823 -1.021 0.000 0.663 198 V HN 1.156 nan 8.190 nan 0.000 0.454 199 G N 0.096 108.479 108.800 -0.696 0.000 2.663 199 G HA2 -0.149 3.812 3.960 0.001 0.000 0.686 199 G HA3 -0.149 3.812 3.960 0.001 0.000 0.686 199 G C 0.460 175.247 174.900 -0.189 0.000 1.288 199 G CA 0.115 44.996 45.100 -0.364 0.000 0.836 199 G HN 0.752 nan 8.290 nan 0.000 0.584 200 S N -0.964 114.694 115.700 -0.071 0.000 2.522 200 S HA 0.274 4.745 4.470 0.001 0.000 0.227 200 S C 1.881 176.465 174.600 -0.028 0.000 0.986 200 S CA 1.419 59.612 58.200 -0.012 0.000 0.929 200 S CB 0.453 63.671 63.200 0.031 0.000 0.769 200 S HN 2.113 nan 8.310 nan 0.000 0.529 201 G N 0.904 109.657 108.800 -0.078 0.000 3.562 201 G HA2 0.353 4.314 3.960 0.001 0.000 0.279 201 G HA3 0.353 4.314 3.960 0.001 0.000 0.279 201 G C -0.224 174.643 174.900 -0.056 0.000 1.314 201 G CA -0.433 44.617 45.100 -0.082 0.000 1.189 201 G HN 0.399 nan 8.290 nan 0.000 0.562 202 S N -0.159 115.526 115.700 -0.025 0.000 2.438 202 S HA 0.390 4.861 4.470 0.001 0.000 0.293 202 S C 1.570 176.189 174.600 0.031 0.000 1.141 202 S CA -0.092 58.104 58.200 -0.007 0.000 1.080 202 S CB 1.108 64.318 63.200 0.016 0.000 0.978 202 S HN 0.454 nan 8.310 nan 0.000 0.479 203 T N 0.398 114.963 114.554 0.020 0.000 3.037 203 T HA 0.203 4.553 4.350 0.001 0.000 0.251 203 T C 0.030 174.753 174.700 0.040 0.000 1.079 203 T CA 0.011 62.130 62.100 0.032 0.000 1.067 203 T CB 0.022 68.900 68.868 0.018 0.000 0.948 203 T HN 0.469 nan 8.240 nan 0.000 0.496 204 D N 0.119 120.541 120.400 0.038 0.000 2.696 204 D HA 0.661 5.302 4.640 0.001 0.000 0.251 204 D C 0.748 177.095 176.300 0.079 0.000 1.188 204 D CA -0.390 53.637 54.000 0.045 0.000 0.876 204 D CB 1.782 42.593 40.800 0.020 0.000 1.334 204 D HN 0.053 nan 8.370 nan 0.000 0.540 205 A N 2.489 125.374 122.820 0.108 0.000 2.225 205 A HA -0.076 4.245 4.320 0.001 0.000 0.215 205 A C 1.926 179.617 177.584 0.178 0.000 1.164 205 A CA 1.464 53.614 52.037 0.188 0.000 0.710 205 A CB -0.562 18.508 19.000 0.117 0.000 0.780 205 A HN 0.555 nan 8.150 nan 0.000 0.473 206 S N -0.786 114.965 115.700 0.084 0.000 2.447 206 S HA -0.134 4.337 4.470 0.001 0.000 0.233 206 S C 1.692 176.297 174.600 0.007 0.000 1.006 206 S CA 1.709 59.937 58.200 0.046 0.000 0.957 206 S CB -0.989 62.219 63.200 0.014 0.000 0.773 206 S HN 0.492 nan 8.310 nan 0.000 0.507 207 T N 1.640 116.176 114.554 -0.030 0.000 2.720 207 T HA -0.005 4.346 4.350 0.001 0.000 0.268 207 T C 1.182 175.742 174.700 -0.233 0.000 1.037 207 T CA 1.518 63.520 62.100 -0.163 0.000 1.144 207 T CB -0.594 68.126 68.868 -0.246 0.000 0.864 207 T HN 0.464 nan 8.240 nan 0.000 0.444 208 F N 1.655 121.548 119.950 -0.095 0.000 2.134 208 F HA 0.019 4.547 4.527 0.001 0.000 0.299 208 F C 2.655 178.395 175.800 -0.100 0.000 1.097 208 F CA 0.884 58.840 58.000 -0.073 0.000 1.264 208 F CB -0.675 38.360 39.000 0.058 0.000 1.001 208 F HN 0.140 nan 8.300 nan 0.000 0.479 209 A N -0.928 121.965 122.820 0.121 0.000 1.968 209 A HA -0.200 4.120 4.320 0.001 0.000 0.217 209 A C 2.040 179.604 177.584 -0.032 0.000 1.169 209 A CA 1.511 53.590 52.037 0.071 0.000 0.638 209 A CB -0.626 18.420 19.000 0.077 0.000 0.812 209 A HN 0.354 nan 8.150 nan 0.000 0.446 210 Q N -0.031 119.713 119.800 -0.094 0.000 2.123 210 Q HA 0.087 4.428 4.340 0.001 0.000 0.199 210 Q C 1.997 177.851 176.000 -0.243 0.000 0.966 210 Q CA 1.851 57.566 55.803 -0.146 0.000 0.845 210 Q CB -0.600 28.057 28.738 -0.134 0.000 0.907 210 Q HN 0.517 nan 8.270 nan 0.000 0.439 211 A N 0.097 122.668 122.820 -0.415 0.000 1.902 211 A HA -0.110 4.211 4.320 0.001 0.000 0.217 211 A C 2.107 179.376 177.584 -0.524 0.000 1.181 211 A CA 1.405 52.983 52.037 -0.765 0.000 0.623 211 A CB -0.651 17.291 19.000 -1.764 0.000 0.818 211 A HN 0.453 nan 8.150 nan 0.000 0.443 212 I N -0.795 119.626 120.570 -0.248 0.000 2.394 212 I HA -0.172 3.998 4.170 0.001 0.000 0.251 212 I C 2.799 178.923 176.117 0.013 0.000 1.136 212 I CA 1.306 62.678 61.300 0.119 0.000 1.425 212 I CB -0.085 38.058 38.000 0.238 0.000 1.079 212 I HN 0.412 nan 8.210 nan 0.000 0.425 213 S N 0.559 116.090 115.700 -0.281 0.000 2.355 213 S HA -0.200 4.270 4.470 0.001 0.000 0.222 213 S C 1.764 176.260 174.600 -0.173 0.000 1.031 213 S CA 1.559 59.418 58.200 -0.568 0.000 0.993 213 S CB -0.226 62.689 63.200 -0.475 0.000 0.859 213 S HN 0.354 nan 8.310 nan 0.000 0.453 214 D N 0.994 121.346 120.400 -0.080 0.000 2.149 214 D HA -0.036 4.605 4.640 0.001 0.000 0.198 214 D C 2.184 178.593 176.300 0.182 0.000 0.990 214 D CA 1.111 55.147 54.000 0.060 0.000 0.839 214 D CB -0.521 40.274 40.800 -0.008 0.000 0.948 214 D HN 0.380 nan 8.370 nan 0.000 0.460 215 S N 0.183 116.003 115.700 0.199 0.000 2.383 215 S HA -0.144 4.327 4.470 0.001 0.000 0.227 215 S C 1.897 176.779 174.600 0.471 0.000 1.026 215 S CA 0.771 59.192 58.200 0.369 0.000 0.981 215 S CB 0.109 63.586 63.200 0.462 0.000 0.818 215 S HN 0.102 nan 8.310 nan 0.000 0.472 216 R N 1.037 121.727 120.500 0.317 0.000 2.081 216 R HA -0.015 4.326 4.340 0.001 0.000 0.235 216 R C 1.832 178.246 176.300 0.190 0.000 1.131 216 R CA 1.261 57.377 56.100 0.027 0.000 0.960 216 R CB -0.876 29.270 30.300 -0.257 0.000 0.856 216 R HN 0.392 nan 8.270 nan 0.000 0.436 217 F N -0.088 119.895 119.950 0.054 0.000 2.134 217 F HA -0.122 4.405 4.527 0.001 0.000 0.299 217 F C 1.706 177.571 175.800 0.108 0.000 1.097 217 F CA 1.414 59.451 58.000 0.061 0.000 1.264 217 F CB -0.406 38.611 39.000 0.028 0.000 1.001 217 F HN -0.113 nan 8.300 nan 0.000 0.479 218 V N -0.574 119.348 119.914 0.014 0.000 2.488 218 V HA -0.228 3.893 4.120 0.001 0.000 0.246 218 V C 2.232 178.344 176.094 0.028 0.000 1.046 218 V CA 1.502 63.748 62.300 -0.090 0.000 1.053 218 V CB -0.984 30.851 31.823 0.020 0.000 0.679 218 V HN 0.296 nan 8.190 nan 0.000 0.458 219 F N 1.330 121.301 119.950 0.035 0.000 2.126 219 F HA -0.223 4.304 4.527 0.001 0.000 0.299 219 F C 2.246 178.068 175.800 0.036 0.000 1.096 219 F CA 2.071 60.121 58.000 0.083 0.000 1.255 219 F CB -0.181 38.928 39.000 0.181 0.000 0.997 219 F HN 0.226 nan 8.300 nan 0.000 0.479 220 D N -0.614 119.898 120.400 0.187 0.000 2.149 220 D HA -0.154 4.487 4.640 0.001 0.000 0.201 220 D C 2.430 178.736 176.300 0.010 0.000 0.972 220 D CA 1.069 55.129 54.000 0.099 0.000 0.835 220 D CB -0.288 40.569 40.800 0.095 0.000 0.966 220 D HN 0.302 nan 8.370 nan 0.000 0.476 221 M N 0.235 119.780 119.600 -0.092 0.000 2.117 221 M HA -0.068 4.413 4.480 0.001 0.000 0.262 221 M C 2.242 178.550 176.300 0.013 0.000 1.065 221 M CA 1.548 56.785 55.300 -0.104 0.000 1.114 221 M CB -0.390 32.067 32.600 -0.239 0.000 1.361 221 M HN 0.023 nan 8.290 nan 0.000 0.408 222 G N -0.513 108.296 108.800 0.014 0.000 2.421 222 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 222 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 222 G C 1.421 176.436 174.900 0.191 0.000 1.171 222 G CA 1.425 46.607 45.100 0.137 0.000 0.775 222 G HN 0.358 nan 8.290 nan 0.000 0.543 223 T N 0.302 114.895 114.554 0.064 0.000 2.788 223 T HA -0.079 4.272 4.350 0.001 0.000 0.268 223 T C 2.100 176.825 174.700 0.042 0.000 1.044 223 T CA 1.437 63.571 62.100 0.057 0.000 1.139 223 T CB -0.134 68.775 68.868 0.069 0.000 0.867 223 T HN 0.528 nan 8.240 nan 0.000 0.454 224 E N 0.767 120.992 120.200 0.041 0.000 2.077 224 E HA -0.093 4.258 4.350 0.001 0.000 0.193 224 E C 1.737 178.338 176.600 0.001 0.000 0.989 224 E CA 0.882 57.295 56.400 0.023 0.000 0.800 224 E CB -0.149 29.564 29.700 0.023 0.000 0.746 224 E HN 0.450 nan 8.360 nan 0.000 0.452 225 L N -0.770 120.465 121.223 0.020 0.000 2.599 225 L HA 0.163 4.503 4.340 0.001 0.000 0.230 225 L C 1.498 178.208 176.870 -0.266 0.000 1.141 225 L CA 0.532 55.339 54.840 -0.054 0.000 0.877 225 L CB 0.357 42.464 42.059 0.081 0.000 1.009 225 L HN 0.469 nan 8.230 nan 0.000 0.447 226 G N -0.847 107.833 108.800 -0.200 0.000 2.201 226 G HA2 -0.254 3.707 3.960 0.001 0.000 0.212 226 G HA3 -0.254 3.707 3.960 0.001 0.000 0.212 226 G C 0.229 174.972 174.900 -0.263 0.000 0.994 226 G CA -0.603 44.343 45.100 -0.256 0.000 0.644 226 G HN 0.145 nan 8.290 nan 0.000 0.508 227 F N 0.920 120.844 119.950 -0.043 0.000 2.490 227 F HA 0.431 4.958 4.527 0.001 0.000 0.336 227 F C 1.080 176.851 175.800 -0.048 0.000 1.178 227 F CA 0.151 58.122 58.000 -0.049 0.000 1.301 227 F CB 0.476 39.437 39.000 -0.064 0.000 1.175 227 F HN 0.063 nan 8.300 nan 0.000 0.593 228 N N 2.518 121.324 118.700 0.177 0.000 3.083 228 N HA 0.137 4.877 4.740 0.001 0.000 0.260 228 N C -1.093 174.493 175.510 0.127 0.000 1.163 228 N CA -0.336 52.780 53.050 0.109 0.000 1.060 228 N CB -0.008 38.523 38.487 0.074 0.000 1.345 228 N HN 0.296 nan 8.380 nan 0.000 0.515 229 M N 3.126 122.711 119.600 -0.026 0.000 2.220 229 M HA 0.100 4.580 4.480 0.001 0.000 0.343 229 M C 0.579 176.850 176.300 -0.048 0.000 1.470 229 M CA 0.175 55.263 55.300 -0.354 0.000 1.161 229 M CB -0.016 31.965 32.600 -1.031 0.000 1.737 229 M HN 0.563 nan 8.290 nan 0.000 0.464 230 H N 2.413 121.504 119.070 0.033 0.000 3.650 230 H HA 0.450 5.006 4.556 0.001 0.000 0.260 230 H C -0.711 174.813 175.328 0.327 0.000 1.194 230 H CA -0.122 56.102 56.048 0.293 0.000 1.135 230 H CB 0.471 30.328 29.762 0.158 0.000 1.612 230 H HN 0.548 nan 8.280 nan 0.000 0.703 231 I N 2.177 122.730 120.570 -0.028 0.000 2.466 231 I HA 0.262 4.433 4.170 0.001 0.000 0.289 231 I C -1.275 174.911 176.117 0.115 0.000 1.026 231 I CA -1.179 60.072 61.300 -0.082 0.000 1.078 231 I CB 2.856 40.673 38.000 -0.304 0.000 1.249 231 I HN -0.022 nan 8.210 nan 0.000 0.429 232 L N 6.560 127.761 121.223 -0.037 0.000 2.325 232 L HA 0.574 4.915 4.340 0.001 0.000 0.281 232 L C -1.087 175.657 176.870 -0.209 0.000 1.004 232 L CA 0.055 54.788 54.840 -0.179 0.000 0.823 232 L CB 1.429 43.118 42.059 -0.618 0.000 1.236 232 L HN 0.447 nan 8.230 nan 0.000 0.415 233 D N 4.755 125.021 120.400 -0.224 0.000 2.453 233 D HA 0.239 4.880 4.640 0.001 0.000 0.238 233 D C 0.649 176.686 176.300 -0.439 0.000 1.088 233 D CA -0.335 53.515 54.000 -0.249 0.000 0.854 233 D CB 1.042 41.710 40.800 -0.219 0.000 1.076 233 D HN 0.641 nan 8.370 nan 0.000 0.533 234 I N 1.118 121.458 120.570 -0.383 0.000 3.812 234 I HA 0.443 4.614 4.170 0.001 0.000 0.320 234 I C 0.978 176.895 176.117 -0.335 0.000 1.276 234 I CA -0.067 60.822 61.300 -0.685 0.000 1.164 234 I CB -0.286 37.666 38.000 -0.080 0.000 1.009 234 I HN 0.438 nan 8.210 nan 0.000 0.431 235 G N 0.993 109.731 108.800 -0.103 0.000 2.598 235 G HA2 -0.064 3.897 3.960 0.001 0.000 0.244 235 G HA3 -0.064 3.897 3.960 0.001 0.000 0.244 235 G C -0.029 175.057 174.900 0.311 0.000 1.302 235 G CA -0.395 44.796 45.100 0.151 0.000 0.903 235 G HN 0.824 nan 8.290 nan 0.000 0.575 236 G N -3.214 105.786 108.800 0.333 0.000 3.217 236 G HA2 0.788 4.748 3.960 0.001 0.000 0.213 236 G HA3 0.788 4.748 3.960 0.001 0.000 0.213 236 G C 1.179 175.887 174.900 -0.321 0.000 1.294 236 G CA 1.000 46.200 45.100 0.167 0.000 0.987 236 G HN 2.591 nan 8.290 nan 0.000 0.584 237 G N -2.104 106.613 108.800 -0.139 0.000 2.184 237 G HA2 -0.164 3.796 3.960 0.001 0.000 0.206 237 G HA3 -0.164 3.796 3.960 0.001 0.000 0.206 237 G C 0.201 175.083 174.900 -0.030 0.000 0.995 237 G CA -0.095 44.924 45.100 -0.134 0.000 0.651 237 G HN 0.619 nan 8.290 nan 0.000 0.511 238 F N 3.135 123.282 119.950 0.327 0.000 2.538 238 F HA 0.415 4.942 4.527 0.001 0.000 0.371 238 F C -0.937 175.041 175.800 0.296 0.000 1.087 238 F CA -1.697 56.494 58.000 0.318 0.000 1.250 238 F CB 0.355 39.528 39.000 0.288 0.000 1.110 238 F HN -0.089 nan 8.300 nan 0.000 0.570 239 P HA 0.089 nan 4.420 nan 0.000 0.271 239 P C 0.294 177.738 177.300 0.241 0.000 1.216 239 P CA -0.112 63.164 63.100 0.293 0.000 0.776 239 P CB 1.057 32.911 31.700 0.256 0.000 0.881 240 G N 0.890 109.776 108.800 0.142 0.000 3.519 240 G HA2 0.211 4.171 3.960 0.001 0.000 0.269 240 G HA3 0.211 4.171 3.960 0.001 0.000 0.269 240 G C 0.178 175.080 174.900 0.004 0.000 1.028 240 G CA -0.014 45.080 45.100 -0.010 0.000 0.809 240 G HN 0.652 nan 8.290 nan 0.000 0.521 241 T N -3.707 110.886 114.554 0.065 0.000 2.926 241 T HA 0.533 4.884 4.350 0.001 0.000 0.289 241 T C 0.884 175.631 174.700 0.078 0.000 1.054 241 T CA -0.780 61.363 62.100 0.071 0.000 1.015 241 T CB 2.749 71.674 68.868 0.096 0.000 1.167 241 T HN -0.104 nan 8.240 nan 0.000 0.526 242 R N 0.342 120.886 120.500 0.074 0.000 2.073 242 R HA 0.051 4.392 4.340 0.001 0.000 0.229 242 R C 1.397 177.747 176.300 0.082 0.000 1.120 242 R CA 1.754 57.899 56.100 0.075 0.000 0.967 242 R CB -0.462 29.878 30.300 0.066 0.000 0.862 242 R HN 0.921 nan 8.270 nan 0.000 0.436 243 D N -0.616 119.835 120.400 0.086 0.000 2.323 243 D HA 0.097 4.738 4.640 0.001 0.000 0.239 243 D C -0.368 175.986 176.300 0.091 0.000 1.129 243 D CA -0.043 54.009 54.000 0.086 0.000 0.865 243 D CB 0.320 41.174 40.800 0.090 0.000 0.913 243 D HN 0.140 nan 8.370 nan 0.000 0.517 244 A N 1.572 124.452 122.820 0.099 0.000 2.409 244 A HA 0.350 4.670 4.320 0.001 0.000 0.262 244 A C -0.930 176.713 177.584 0.098 0.000 1.113 244 A CA -1.116 50.985 52.037 0.106 0.000 0.790 244 A CB 0.672 19.750 19.000 0.130 0.000 1.046 244 A HN 0.114 nan 8.150 nan 0.000 0.496 245 P HA -0.026 nan 4.420 nan 0.000 0.214 245 P C 0.437 177.785 177.300 0.080 0.000 1.162 245 P CA 0.363 63.508 63.100 0.075 0.000 0.871 245 P CB -0.061 31.677 31.700 0.064 0.000 0.783 246 L N 1.624 122.902 121.223 0.091 0.000 2.385 246 L HA 0.154 4.494 4.340 0.001 0.000 0.281 246 L C 0.350 177.300 176.870 0.133 0.000 1.106 246 L CA -0.128 54.773 54.840 0.101 0.000 0.856 246 L CB -0.486 41.638 42.059 0.108 0.000 1.186 246 L HN -0.181 nan 8.230 nan 0.000 0.453 247 K N 3.905 124.376 120.400 0.118 0.000 2.202 247 K HA 0.007 4.328 4.320 0.001 0.000 0.264 247 K C 0.846 177.564 176.600 0.196 0.000 1.010 247 K CA -0.278 56.100 56.287 0.150 0.000 0.940 247 K CB 0.645 33.207 32.500 0.104 0.000 0.983 247 K HN 0.537 nan 8.250 nan 0.000 0.475 248 F N 2.582 122.586 119.950 0.091 0.000 2.095 248 F HA -0.192 4.335 4.527 0.001 0.000 0.298 248 F C 1.663 177.448 175.800 -0.024 0.000 1.104 248 F CA 1.871 59.916 58.000 0.074 0.000 1.232 248 F CB 0.023 39.110 39.000 0.145 0.000 0.987 248 F HN 0.623 nan 8.300 nan 0.000 0.475 249 E N 0.132 120.266 120.200 -0.110 0.000 2.153 249 E HA -0.229 4.122 4.350 0.001 0.000 0.194 249 E C 2.105 178.567 176.600 -0.229 0.000 0.988 249 E CA 1.439 57.687 56.400 -0.254 0.000 0.811 249 E CB -0.353 29.296 29.700 -0.086 0.000 0.746 249 E HN 0.699 nan 8.360 nan 0.000 0.466 250 E N 0.357 120.485 120.200 -0.119 0.000 2.107 250 E HA -0.140 4.210 4.350 0.001 0.000 0.191 250 E C 1.912 178.437 176.600 -0.125 0.000 0.982 250 E CA 0.799 57.145 56.400 -0.090 0.000 0.809 250 E CB -0.110 29.576 29.700 -0.022 0.000 0.756 250 E HN 0.235 nan 8.360 nan 0.000 0.459 251 I N 1.302 121.789 120.570 -0.137 0.000 2.142 251 I HA -0.257 3.914 4.170 0.001 0.000 0.240 251 I C 2.613 178.526 176.117 -0.340 0.000 1.078 251 I CA 1.222 62.415 61.300 -0.178 0.000 1.343 251 I CB -0.353 37.600 38.000 -0.078 0.000 1.046 251 I HN 0.251 nan 8.210 nan 0.000 0.405 252 A N 0.741 123.236 122.820 -0.542 0.000 1.940 252 A HA -0.153 4.168 4.320 0.001 0.000 0.219 252 A C 2.403 179.751 177.584 -0.393 0.000 1.176 252 A CA 1.916 53.572 52.037 -0.635 0.000 0.631 252 A CB -1.462 16.942 19.000 -0.993 0.000 0.814 252 A HN 0.497 nan 8.150 nan 0.000 0.446 253 G N -0.554 108.065 108.800 -0.301 0.000 2.421 253 G HA2 -0.142 3.819 3.960 0.001 0.000 0.216 253 G HA3 -0.142 3.819 3.960 0.001 0.000 0.216 253 G C 1.493 176.312 174.900 -0.134 0.000 1.171 253 G CA 1.287 46.272 45.100 -0.191 0.000 0.775 253 G HN 0.338 nan 8.290 nan 0.000 0.543 254 V N 0.883 120.729 119.914 -0.114 0.000 2.515 254 V HA -0.083 4.037 4.120 0.001 0.000 0.250 254 V C 2.739 178.814 176.094 -0.032 0.000 1.058 254 V CA 1.242 63.513 62.300 -0.049 0.000 1.064 254 V CB -0.274 31.545 31.823 -0.007 0.000 0.675 254 V HN 0.377 nan 8.190 nan 0.000 0.461 255 I N 0.422 120.933 120.570 -0.097 0.000 2.202 255 I HA -0.234 3.937 4.170 0.001 0.000 0.242 255 I C 2.224 178.316 176.117 -0.041 0.000 1.091 255 I CA 1.914 63.179 61.300 -0.059 0.000 1.368 255 I CB -0.483 37.412 38.000 -0.176 0.000 1.058 255 I HN 0.388 nan 8.210 nan 0.000 0.410 256 N N 0.698 119.334 118.700 -0.107 0.000 2.166 256 N HA -0.178 4.563 4.740 0.001 0.000 0.186 256 N C 1.522 177.012 175.510 -0.034 0.000 1.019 256 N CA 1.122 54.121 53.050 -0.085 0.000 0.856 256 N CB -0.144 38.263 38.487 -0.133 0.000 0.993 256 N HN 0.291 nan 8.380 nan 0.000 0.426 257 N N 1.073 119.755 118.700 -0.030 0.000 2.120 257 N HA -0.083 4.658 4.740 0.001 0.000 0.188 257 N C 1.618 177.148 175.510 0.034 0.000 1.024 257 N CA 1.143 54.188 53.050 -0.008 0.000 0.852 257 N CB -0.390 38.089 38.487 -0.013 0.000 1.003 257 N HN 0.229 nan 8.380 nan 0.000 0.424 258 A N 0.113 122.981 122.820 0.080 0.000 1.930 258 A HA -0.027 4.293 4.320 0.001 0.000 0.217 258 A C 2.006 179.736 177.584 0.244 0.000 1.175 258 A CA 0.857 53.008 52.037 0.190 0.000 0.627 258 A CB -0.464 18.660 19.000 0.206 0.000 0.815 258 A HN 0.126 nan 8.150 nan 0.000 0.443 259 L N -0.337 120.987 121.223 0.168 0.000 2.027 259 L HA -0.076 4.265 4.340 0.001 0.000 0.206 259 L C 2.364 179.323 176.870 0.147 0.000 1.074 259 L CA 2.218 57.174 54.840 0.194 0.000 0.745 259 L CB -1.035 41.076 42.059 0.086 0.000 0.898 259 L HN 0.468 nan 8.230 nan 0.000 0.433 260 E N -0.219 120.019 120.200 0.063 0.000 2.160 260 E HA -0.249 4.102 4.350 0.001 0.000 0.195 260 E C 2.244 178.836 176.600 -0.014 0.000 0.991 260 E CA 1.386 57.798 56.400 0.020 0.000 0.810 260 E CB -0.017 29.679 29.700 -0.007 0.000 0.742 260 E HN 0.328 nan 8.360 nan 0.000 0.466 261 K N -1.576 118.799 120.400 -0.041 0.000 2.007 261 K HA -0.101 4.220 4.320 0.001 0.000 0.206 261 K C 1.675 178.104 176.600 -0.286 0.000 1.047 261 K CA 1.552 57.720 56.287 -0.199 0.000 0.937 261 K CB -0.084 32.241 32.500 -0.293 0.000 0.718 261 K HN 0.263 nan 8.250 nan 0.000 0.438 262 H N -2.488 116.574 119.070 -0.012 0.000 2.557 262 H HA 0.173 4.730 4.556 0.001 0.000 0.281 262 H C -0.263 174.823 175.328 -0.404 0.000 0.990 262 H CA 0.374 56.322 56.048 -0.165 0.000 1.278 262 H CB 0.611 30.313 29.762 -0.100 0.000 1.451 262 H HN -0.021 nan 8.280 nan 0.000 0.516 263 F N 2.580 122.556 119.950 0.042 0.000 2.449 263 F HA 0.293 4.821 4.527 0.001 0.000 0.329 263 F C -2.376 173.407 175.800 -0.028 0.000 1.245 263 F CA -2.745 55.228 58.000 -0.044 0.000 1.193 263 F CB 0.766 39.709 39.000 -0.095 0.000 1.425 263 F HN -0.073 nan 8.300 nan 0.000 0.544 264 P HA 0.107 nan 4.420 nan 0.000 0.269 264 P C -2.503 174.837 177.300 0.067 0.000 1.209 264 P CA -1.194 61.936 63.100 0.050 0.000 0.776 264 P CB 0.098 31.804 31.700 0.011 0.000 0.876 265 P HA 0.095 nan 4.420 nan 0.000 0.264 265 P C -0.441 176.895 177.300 0.059 0.000 1.183 265 P CA 1.023 64.155 63.100 0.055 0.000 0.763 265 P CB 0.222 31.944 31.700 0.036 0.000 0.807 266 D N 1.772 122.216 120.400 0.072 0.000 2.812 266 D HA 0.071 4.712 4.640 0.001 0.000 0.210 266 D C 0.673 177.026 176.300 0.088 0.000 1.260 266 D CA -0.488 53.560 54.000 0.080 0.000 0.817 266 D CB 1.089 41.949 40.800 0.099 0.000 1.694 266 D HN 0.061 nan 8.370 nan 0.000 0.530 267 L N 2.529 123.798 121.223 0.076 0.000 2.191 267 L HA -0.062 4.278 4.340 0.001 0.000 0.212 267 L C 1.968 178.896 176.870 0.096 0.000 1.103 267 L CA 0.974 55.859 54.840 0.076 0.000 0.769 267 L CB -0.065 42.029 42.059 0.058 0.000 0.908 267 L HN 0.268 nan 8.230 nan 0.000 0.438 268 K N -0.286 120.181 120.400 0.111 0.000 2.366 268 K HA -0.002 4.318 4.320 0.001 0.000 0.198 268 K C 0.302 177.035 176.600 0.221 0.000 1.044 268 K CA 0.235 56.605 56.287 0.138 0.000 0.973 268 K CB 0.175 32.752 32.500 0.128 0.000 0.767 268 K HN 0.029 nan 8.250 nan 0.000 0.475 269 L N 1.478 122.824 121.223 0.205 0.000 2.289 269 L HA 0.206 4.547 4.340 0.001 0.000 0.285 269 L C -0.646 176.321 176.870 0.162 0.000 1.049 269 L CA 0.005 54.981 54.840 0.226 0.000 0.804 269 L CB 1.324 43.504 42.059 0.202 0.000 1.195 269 L HN -0.002 nan 8.230 nan 0.000 0.428 270 T N 3.872 118.514 114.554 0.147 0.000 2.807 270 T HA 0.645 4.996 4.350 0.001 0.000 0.279 270 T C -0.136 174.579 174.700 0.026 0.000 0.993 270 T CA -0.576 61.581 62.100 0.095 0.000 0.970 270 T CB 1.112 70.051 68.868 0.118 0.000 0.950 270 T HN 0.438 nan 8.240 nan 0.000 0.441 271 I N 2.493 123.073 120.570 0.016 0.000 2.412 271 I HA 0.670 4.841 4.170 0.001 0.000 0.296 271 I C -0.548 175.590 176.117 0.034 0.000 0.987 271 I CA -1.218 60.060 61.300 -0.036 0.000 1.180 271 I CB 1.820 39.786 38.000 -0.057 0.000 1.340 271 I HN 0.365 nan 8.210 nan 0.000 0.455 272 V N 4.229 124.144 119.914 0.002 0.000 3.049 272 V HA 0.853 4.973 4.120 0.001 0.000 0.309 272 V C -0.427 175.719 176.094 0.085 0.000 1.148 272 V CA -0.385 61.949 62.300 0.057 0.000 0.990 272 V CB 2.241 33.983 31.823 -0.134 0.000 1.039 272 V HN 0.935 nan 8.190 nan 0.000 0.430 273 A N 2.708 125.663 122.820 0.226 0.000 2.530 273 A HA 0.917 5.238 4.320 0.001 0.000 0.288 273 A C -0.688 177.063 177.584 0.279 0.000 1.172 273 A CA -0.536 51.684 52.037 0.306 0.000 0.733 273 A CB 1.786 21.139 19.000 0.588 0.000 1.320 273 A HN 0.801 nan 8.150 nan 0.000 0.419 274 E N 1.014 121.404 120.200 0.318 0.000 4.044 274 E HA 0.218 4.569 4.350 0.001 0.000 0.216 274 E C -2.658 174.124 176.600 0.303 0.000 1.104 274 E CA -1.538 55.007 56.400 0.242 0.000 1.383 274 E CB 0.866 30.654 29.700 0.147 0.000 1.195 274 E HN 0.455 nan 8.360 nan 0.000 0.442 275 P HA 0.030 nan 4.420 nan 0.000 0.271 275 P C 0.275 177.779 177.300 0.340 0.000 1.216 275 P CA 0.301 63.671 63.100 0.450 0.000 0.771 275 P CB 2.025 33.895 31.700 0.284 0.000 0.864 276 G N 3.894 112.884 108.800 0.318 0.000 2.621 276 G HA2 -0.040 3.921 3.960 0.001 0.000 0.209 276 G HA3 -0.040 3.921 3.960 0.001 0.000 0.209 276 G C 1.298 176.398 174.900 0.333 0.000 1.379 276 G CA -0.117 45.078 45.100 0.158 0.000 0.766 276 G HN 0.518 nan 8.290 nan 0.000 0.599 277 R N -0.652 120.038 120.500 0.317 0.000 2.148 277 R HA -0.023 4.318 4.340 0.001 0.000 0.227 277 R C 2.131 178.578 176.300 0.245 0.000 1.103 277 R CA 1.424 57.688 56.100 0.274 0.000 0.983 277 R CB -0.902 29.602 30.300 0.339 0.000 0.874 277 R HN 0.380 nan 8.270 nan 0.000 0.451 278 Y N 1.239 121.647 120.300 0.179 0.000 2.069 278 Y HA -0.337 4.213 4.550 0.001 0.000 0.278 278 Y C 1.546 177.404 175.900 -0.070 0.000 1.175 278 Y CA 1.878 59.982 58.100 0.008 0.000 1.134 278 Y CB -0.528 37.888 38.460 -0.074 0.000 0.965 278 Y HN 0.036 nan 8.280 nan 0.000 0.498 279 Y N -1.215 119.120 120.300 0.060 0.000 2.263 279 Y HA -0.102 4.449 4.550 0.001 0.000 0.292 279 Y C 2.343 178.198 175.900 -0.076 0.000 1.130 279 Y CA 1.703 59.761 58.100 -0.070 0.000 1.179 279 Y CB 0.056 38.522 38.460 0.011 0.000 0.998 279 Y HN 0.145 nan 8.280 nan 0.000 0.532 280 V N -4.628 115.384 119.914 0.162 0.000 3.556 280 V HA 0.453 4.574 4.120 0.001 0.000 0.287 280 V C 1.733 177.894 176.094 0.112 0.000 1.422 280 V CA 0.438 62.820 62.300 0.137 0.000 1.038 280 V CB -0.295 31.587 31.823 0.098 0.000 0.850 280 V HN 0.145 nan 8.190 nan 0.000 0.437 281 A N 2.484 125.350 122.820 0.078 0.000 1.865 281 A HA -0.147 4.174 4.320 0.001 0.000 0.217 281 A C 2.355 180.007 177.584 0.114 0.000 1.191 281 A CA 2.588 54.677 52.037 0.086 0.000 0.623 281 A CB -0.956 18.100 19.000 0.093 0.000 0.826 281 A HN 1.036 nan 8.150 nan 0.000 0.444 282 S N -0.761 114.990 115.700 0.084 0.000 2.593 282 S HA 0.443 4.914 4.470 0.001 0.000 0.217 282 S C 1.569 176.242 174.600 0.121 0.000 0.966 282 S CA 0.681 58.938 58.200 0.094 0.000 0.914 282 S CB 0.022 63.249 63.200 0.045 0.000 0.776 282 S HN 0.773 nan 8.310 nan 0.000 0.523 283 A N 0.580 123.505 122.820 0.175 0.000 2.021 283 A HA 0.417 4.738 4.320 0.001 0.000 0.216 283 A C 0.294 177.980 177.584 0.170 0.000 1.163 283 A CA 0.295 52.437 52.037 0.175 0.000 0.676 283 A CB -0.291 18.840 19.000 0.219 0.000 0.818 283 A HN 0.485 nan 8.150 nan 0.000 0.453 284 F N -0.042 119.938 119.950 0.051 0.000 2.443 284 F HA 0.510 5.038 4.527 0.001 0.000 0.335 284 F C 0.107 176.010 175.800 0.172 0.000 1.104 284 F CA -0.338 57.716 58.000 0.090 0.000 1.013 284 F CB 2.058 41.042 39.000 -0.027 0.000 1.136 284 F HN -0.233 nan 8.300 nan 0.000 0.470 285 T N 4.619 119.373 114.554 0.333 0.000 2.841 285 T HA 0.462 4.813 4.350 0.001 0.000 0.285 285 T C -1.178 173.652 174.700 0.216 0.000 0.991 285 T CA -0.498 61.747 62.100 0.243 0.000 0.966 285 T CB 1.458 70.393 68.868 0.111 0.000 0.962 285 T HN 0.344 nan 8.240 nan 0.000 0.438 286 L N 3.395 124.690 121.223 0.119 0.000 2.289 286 L HA 0.796 5.137 4.340 0.001 0.000 0.285 286 L C -0.284 176.485 176.870 -0.167 0.000 1.049 286 L CA -0.498 54.202 54.840 -0.234 0.000 0.804 286 L CB 0.558 42.396 42.059 -0.369 0.000 1.195 286 L HN 0.781 nan 8.230 nan 0.000 0.428 287 A N 5.353 127.900 122.820 -0.455 0.000 2.273 287 A HA 0.697 5.018 4.320 0.001 0.000 0.315 287 A C -1.115 176.423 177.584 -0.077 0.000 1.256 287 A CA -0.500 51.287 52.037 -0.416 0.000 0.851 287 A CB 1.191 19.436 19.000 -1.258 0.000 1.172 287 A HN 0.621 nan 8.150 nan 0.000 0.508 288 V N 2.789 122.853 119.914 0.251 0.000 2.769 288 V HA 0.469 4.590 4.120 0.001 0.000 0.312 288 V C -0.505 175.689 176.094 0.167 0.000 1.061 288 V CA -0.860 61.595 62.300 0.257 0.000 0.931 288 V CB 2.174 34.161 31.823 0.273 0.000 1.010 288 V HN 0.998 nan 8.190 nan 0.000 0.433 289 N N 3.055 121.664 118.700 -0.152 0.000 2.456 289 N HA 0.417 5.158 4.740 0.001 0.000 0.288 289 N C -0.829 174.522 175.510 -0.265 0.000 1.059 289 N CA -0.324 52.381 53.050 -0.575 0.000 0.946 289 N CB 1.770 39.751 38.487 -0.843 0.000 1.150 289 N HN 0.421 nan 8.380 nan 0.000 0.479 290 V N 5.729 125.483 119.914 -0.267 0.000 2.397 290 V HA 0.064 4.185 4.120 0.001 0.000 0.262 290 V C 1.470 177.512 176.094 -0.086 0.000 1.047 290 V CA 0.055 62.289 62.300 -0.110 0.000 1.003 290 V CB -0.457 31.291 31.823 -0.126 0.000 1.037 290 V HN 0.683 nan 8.190 nan 0.000 0.480 291 I N 2.162 122.728 120.570 -0.007 0.000 3.860 291 I HA 0.691 4.862 4.170 0.001 0.000 0.319 291 I C 0.753 176.888 176.117 0.030 0.000 1.279 291 I CA 0.370 61.665 61.300 -0.009 0.000 1.220 291 I CB 0.221 38.215 38.000 -0.009 0.000 1.027 291 I HN 0.532 nan 8.210 nan 0.000 0.428 292 A N 1.437 124.328 122.820 0.119 0.000 2.597 292 A HA 0.745 5.065 4.320 0.001 0.000 0.292 292 A C -1.372 176.399 177.584 0.312 0.000 1.057 292 A CA -0.820 51.294 52.037 0.128 0.000 0.674 292 A CB 1.282 20.250 19.000 -0.052 0.000 1.278 292 A HN 0.344 nan 8.150 nan 0.000 0.416 293 K N -0.219 120.328 120.400 0.246 0.000 2.512 293 K HA 0.930 5.251 4.320 0.001 0.000 0.263 293 K C -0.807 175.909 176.600 0.193 0.000 0.966 293 K CA -0.252 56.206 56.287 0.285 0.000 0.851 293 K CB 2.399 35.078 32.500 0.299 0.000 1.395 293 K HN 1.924 nan 8.250 nan 0.000 0.440 294 A N 1.350 124.265 122.820 0.158 0.000 2.459 294 A HA 0.606 4.926 4.320 0.001 0.000 0.296 294 A C -1.266 176.306 177.584 -0.021 0.000 1.039 294 A CA -0.770 51.311 52.037 0.073 0.000 0.698 294 A CB 1.493 20.544 19.000 0.086 0.000 1.261 294 A HN 0.416 nan 8.150 nan 0.000 0.405 295 V N 0.906 120.765 119.914 -0.093 0.000 2.630 295 V HA 0.772 4.892 4.120 0.001 0.000 0.305 295 V C 0.159 176.093 176.094 -0.267 0.000 1.046 295 V CA -0.477 61.629 62.300 -0.324 0.000 0.934 295 V CB 1.912 33.545 31.823 -0.316 0.000 1.003 295 V HN 0.860 nan 8.190 nan 0.000 0.451 296 T N 5.294 119.640 114.554 -0.347 0.000 2.892 296 T HA 0.455 4.806 4.350 0.001 0.000 0.311 296 T C -2.563 172.005 174.700 -0.221 0.000 1.033 296 T CA -0.752 61.217 62.100 -0.219 0.000 0.991 296 T CB 1.791 70.559 68.868 -0.167 0.000 0.981 296 T HN 0.576 nan 8.240 nan 0.000 0.457 312 Q N 1.301 121.096 119.800 -0.007 0.000 2.307 312 Q HA 0.600 4.941 4.340 0.001 0.000 0.261 312 Q C -0.391 175.529 176.000 -0.133 0.000 1.051 312 Q CA 0.433 56.171 55.803 -0.108 0.000 0.911 312 Q CB 0.427 29.140 28.738 -0.042 0.000 1.227 312 Q HN 0.718 nan 8.270 nan 0.000 0.418 313 S N 3.157 118.668 115.700 -0.315 0.000 2.599 313 S HA 0.675 5.146 4.470 0.001 0.000 0.294 313 S C -1.191 173.068 174.600 -0.568 0.000 1.094 313 S CA -0.599 57.444 58.200 -0.262 0.000 0.931 313 S CB 0.891 64.006 63.200 -0.140 0.000 1.093 313 S HN 0.509 nan 8.310 nan 0.000 0.488 314 F N 0.910 120.733 119.950 -0.211 0.000 2.546 314 F HA 0.613 5.141 4.527 0.001 0.000 0.320 314 F C -0.108 175.417 175.800 -0.458 0.000 1.076 314 F CA -0.811 56.947 58.000 -0.403 0.000 0.928 314 F CB 1.666 40.303 39.000 -0.606 0.000 1.189 314 F HN 0.222 nan 8.300 nan 0.000 0.465 315 M N 3.168 122.606 119.600 -0.270 0.000 2.134 315 M HA 0.398 4.878 4.480 0.001 0.000 0.310 315 M C -1.683 174.449 176.300 -0.281 0.000 0.966 315 M CA -0.388 54.802 55.300 -0.184 0.000 0.922 315 M CB 1.510 34.075 32.600 -0.059 0.000 1.537 315 M HN 0.482 nan 8.290 nan 0.000 0.424 316 Y N 1.848 122.194 120.300 0.076 0.000 2.360 316 Y HA 0.495 5.046 4.550 0.001 0.000 0.337 316 Y C -0.975 174.909 175.900 -0.027 0.000 1.039 316 Y CA -0.816 57.327 58.100 0.072 0.000 1.109 316 Y CB 1.285 39.778 38.460 0.055 0.000 1.201 316 Y HN 0.441 nan 8.280 nan 0.000 0.458 317 Y N 2.458 122.921 120.300 0.272 0.000 2.328 317 Y HA 0.518 5.069 4.550 0.001 0.000 0.337 317 Y C -0.004 175.955 175.900 0.098 0.000 0.966 317 Y CA -1.237 56.969 58.100 0.176 0.000 1.136 317 Y CB 1.302 39.813 38.460 0.084 0.000 1.170 317 Y HN 0.390 nan 8.280 nan 0.000 0.470 318 V N -0.148 119.874 119.914 0.180 0.000 3.019 318 V HA 0.545 4.666 4.120 0.001 0.000 0.317 318 V C 0.102 176.212 176.094 0.028 0.000 1.094 318 V CA -1.129 61.221 62.300 0.084 0.000 1.000 318 V CB 2.124 34.001 31.823 0.090 0.000 1.060 318 V HN 0.782 nan 8.190 nan 0.000 0.443 319 N N -0.025 118.671 118.700 -0.007 0.000 2.362 319 N HA 0.235 4.975 4.740 0.001 0.000 0.211 319 N C -0.526 174.965 175.510 -0.033 0.000 1.170 319 N CA -0.013 52.998 53.050 -0.065 0.000 0.828 319 N CB -0.216 38.255 38.487 -0.027 0.000 1.034 319 N HN 0.815 nan 8.380 nan 0.000 0.475 320 D N -1.606 118.816 120.400 0.035 0.000 2.756 320 D HA 0.708 5.349 4.640 0.001 0.000 0.226 320 D C -0.521 175.901 176.300 0.203 0.000 1.186 320 D CA -0.427 53.644 54.000 0.118 0.000 0.845 320 D CB 2.133 43.019 40.800 0.143 0.000 1.610 320 D HN 0.199 nan 8.370 nan 0.000 0.465 321 G N -0.300 108.661 108.800 0.269 0.000 2.846 321 G HA2 0.332 4.293 3.960 0.001 0.000 0.299 321 G HA3 0.332 4.293 3.960 0.001 0.000 0.299 321 G C 0.728 175.810 174.900 0.303 0.000 1.242 321 G CA 0.007 45.258 45.100 0.252 0.000 0.800 321 G HN 0.598 nan 8.290 nan 0.000 0.538 322 V N -2.002 118.015 119.914 0.172 0.000 2.913 322 V HA 0.030 4.151 4.120 0.001 0.000 0.260 322 V C 1.812 177.881 176.094 -0.042 0.000 1.098 322 V CA 1.610 63.935 62.300 0.042 0.000 1.121 322 V CB -1.149 30.598 31.823 -0.127 0.000 0.714 322 V HN 0.550 nan 8.190 nan 0.000 0.487 323 Y N 1.639 122.032 120.300 0.155 0.000 2.490 323 Y HA 0.475 5.026 4.550 0.001 0.000 0.285 323 Y C 2.240 178.254 175.900 0.189 0.000 1.117 323 Y CA 0.727 58.927 58.100 0.168 0.000 1.262 323 Y CB -0.090 38.525 38.460 0.258 0.000 1.043 323 Y HN 0.407 nan 8.280 nan 0.000 0.553 324 G N -1.172 107.815 108.800 0.311 0.000 3.365 324 G HA2 0.018 3.978 3.960 0.001 0.000 0.185 324 G HA3 0.018 3.978 3.960 0.001 0.000 0.185 324 G C 1.315 176.293 174.900 0.130 0.000 1.565 324 G CA 0.262 45.492 45.100 0.218 0.000 0.984 324 G HN 0.084 nan 8.290 nan 0.000 0.604 325 S N 0.174 115.890 115.700 0.026 0.000 2.442 325 S HA -0.017 4.454 4.470 0.001 0.000 0.236 325 S C 1.378 175.807 174.600 -0.284 0.000 1.007 325 S CA 0.969 59.091 58.200 -0.131 0.000 0.965 325 S CB -0.294 62.720 63.200 -0.309 0.000 0.773 325 S HN 0.336 nan 8.310 nan 0.000 0.504 326 F N 2.265 122.216 119.950 0.001 0.000 2.660 326 F HA 0.198 4.726 4.527 0.001 0.000 0.297 326 F C 1.537 177.327 175.800 -0.016 0.000 1.132 326 F CA -0.587 57.384 58.000 -0.048 0.000 1.372 326 F CB -0.780 38.134 39.000 -0.144 0.000 1.003 326 F HN 0.236 nan 8.300 nan 0.000 0.524 327 N N 0.137 118.927 118.700 0.150 0.000 2.381 327 N HA -0.218 4.523 4.740 0.001 0.000 0.182 327 N C 1.859 177.496 175.510 0.211 0.000 1.025 327 N CA 1.312 54.464 53.050 0.170 0.000 0.888 327 N CB -0.899 37.743 38.487 0.259 0.000 0.965 327 N HN 0.389 nan 8.380 nan 0.000 0.438 328 C N -0.607 118.798 119.300 0.175 0.000 2.403 328 C HA 0.012 4.473 4.460 0.001 0.000 0.282 328 C C 2.322 177.384 174.990 0.120 0.000 1.297 328 C CA -0.045 59.075 59.018 0.170 0.000 1.785 328 C CB -1.680 26.150 27.740 0.151 0.000 1.963 328 C HN 0.525 nan 8.230 nan 0.000 0.507 329 I N 0.200 120.822 120.570 0.086 0.000 2.252 329 I HA -0.133 4.038 4.170 0.001 0.000 0.245 329 I C 2.621 178.686 176.117 -0.086 0.000 1.102 329 I CA 1.343 62.653 61.300 0.016 0.000 1.385 329 I CB -0.337 37.661 38.000 -0.002 0.000 1.064 329 I HN 0.255 nan 8.210 nan 0.000 0.414 330 L N -0.736 120.398 121.223 -0.149 0.000 2.127 330 L HA -0.102 4.239 4.340 0.001 0.000 0.203 330 L C 2.239 178.897 176.870 -0.353 0.000 1.080 330 L CA 1.843 56.493 54.840 -0.317 0.000 0.768 330 L CB -1.003 40.770 42.059 -0.477 0.000 0.924 330 L HN 0.157 nan 8.230 nan 0.000 0.444 331 Y N -1.436 118.801 120.300 -0.105 0.000 2.314 331 Y HA -0.077 4.473 4.550 0.001 0.000 0.294 331 Y C 1.719 177.591 175.900 -0.048 0.000 1.119 331 Y CA 0.948 59.000 58.100 -0.080 0.000 1.179 331 Y CB 0.199 38.638 38.460 -0.035 0.000 1.025 331 Y HN 0.126 nan 8.280 nan 0.000 0.541 332 D N -1.778 118.709 120.400 0.145 0.000 2.440 332 D HA 0.080 4.721 4.640 0.001 0.000 0.216 332 D C -0.654 175.819 176.300 0.287 0.000 1.150 332 D CA 0.032 54.135 54.000 0.171 0.000 0.832 332 D CB -0.343 40.513 40.800 0.093 0.000 0.992 332 D HN 0.195 nan 8.370 nan 0.000 0.502 333 H N -1.401 117.677 119.070 0.013 0.000 2.741 333 H HA -0.186 4.370 4.556 0.001 0.000 0.305 333 H C 0.014 175.363 175.328 0.034 0.000 1.169 333 H CA 0.566 56.620 56.048 0.011 0.000 1.144 333 H CB -2.139 27.627 29.762 0.006 0.000 1.397 333 H HN 0.217 nan 8.280 nan 0.000 0.409 334 A N 0.617 123.517 122.820 0.133 0.000 2.327 334 A HA 0.629 4.950 4.320 0.001 0.000 0.283 334 A C 0.518 178.166 177.584 0.107 0.000 1.127 334 A CA -0.039 52.077 52.037 0.132 0.000 0.810 334 A CB 0.712 19.799 19.000 0.144 0.000 1.066 334 A HN 0.739 nan 8.150 nan 0.000 0.492 335 V N 1.813 121.795 119.914 0.114 0.000 2.448 335 V HA 0.786 4.907 4.120 0.001 0.000 0.295 335 V C -0.187 175.983 176.094 0.126 0.000 1.025 335 V CA -0.544 61.816 62.300 0.100 0.000 0.859 335 V CB 0.700 32.579 31.823 0.094 0.000 0.988 335 V HN 1.363 nan 8.190 nan 0.000 0.431 336 V N 3.052 123.043 119.914 0.128 0.000 2.715 336 V HA 0.757 4.878 4.120 0.001 0.000 0.310 336 V C -0.279 175.890 176.094 0.125 0.000 1.054 336 V CA -1.005 61.416 62.300 0.201 0.000 0.928 336 V CB 1.986 34.001 31.823 0.320 0.000 1.007 336 V HN 1.007 nan 8.190 nan 0.000 0.437 337 R N 3.546 124.097 120.500 0.086 0.000 2.343 337 R HA 0.532 4.872 4.340 0.001 0.000 0.320 337 R C -2.862 173.198 176.300 -0.399 0.000 0.956 337 R CA -1.746 54.192 56.100 -0.270 0.000 0.836 337 R CB 2.066 32.266 30.300 -0.168 0.000 1.151 337 R HN 0.594 nan 8.270 nan 0.000 0.450 338 P HA 0.275 nan 4.420 nan 0.000 0.285 338 P C -0.861 176.095 177.300 -0.573 0.000 1.259 338 P CA -0.466 62.077 63.100 -0.928 0.000 0.794 338 P CB 1.082 32.447 31.700 -0.557 0.000 0.940 339 L N 5.307 126.220 121.223 -0.517 0.000 2.446 339 L HA 0.402 4.742 4.340 0.001 0.000 0.268 339 L C -2.467 174.288 176.870 -0.193 0.000 0.975 339 L CA -2.102 52.589 54.840 -0.249 0.000 0.848 339 L CB 2.393 44.343 42.059 -0.181 0.000 1.225 339 L HN 0.170 nan 8.230 nan 0.000 0.410 340 P HA 0.012 nan 4.420 nan 0.000 0.264 340 P C -0.196 177.079 177.300 -0.041 0.000 1.193 340 P CA -0.274 62.779 63.100 -0.078 0.000 0.763 340 P CB 0.826 32.494 31.700 -0.053 0.000 0.810 341 Q N 4.129 123.925 119.800 -0.006 0.000 2.187 341 Q HA -0.092 4.248 4.340 0.001 0.000 0.199 341 Q C 0.940 176.948 176.000 0.013 0.000 0.957 341 Q CA 0.932 56.738 55.803 0.005 0.000 0.857 341 Q CB -0.188 28.564 28.738 0.025 0.000 0.929 341 Q HN 0.271 nan 8.270 nan 0.000 0.453 342 R N 1.291 121.808 120.500 0.028 0.000 2.679 342 R HA -0.014 4.327 4.340 0.001 0.000 0.268 342 R C -0.606 175.700 176.300 0.009 0.000 1.044 342 R CA -0.128 55.986 56.100 0.024 0.000 1.105 342 R CB 0.359 30.676 30.300 0.027 0.000 0.989 342 R HN 0.297 nan 8.270 nan 0.000 0.447 343 E N 4.308 124.514 120.200 0.009 0.000 2.465 343 E HA 0.033 4.384 4.350 0.001 0.000 0.260 343 E C -2.019 174.586 176.600 0.007 0.000 0.980 343 E CA -1.099 55.304 56.400 0.006 0.000 0.927 343 E CB 0.606 30.309 29.700 0.005 0.000 0.934 343 E HN 0.305 nan 8.360 nan 0.000 0.459 344 P HA 0.124 nan 4.420 nan 0.000 0.280 344 P C -0.805 176.500 177.300 0.008 0.000 1.300 344 P CA -0.064 63.041 63.100 0.009 0.000 0.785 344 P CB 0.250 31.956 31.700 0.010 0.000 0.874 345 I N 6.616 127.192 120.570 0.011 0.000 2.588 345 I HA 0.151 4.322 4.170 0.001 0.000 0.283 345 I C -1.740 174.382 176.117 0.008 0.000 1.119 345 I CA -1.967 59.339 61.300 0.010 0.000 1.419 345 I CB -0.363 37.646 38.000 0.014 0.000 1.394 345 I HN 0.211 nan 8.210 nan 0.000 0.562 346 P HA -0.019 nan 4.420 nan 0.000 0.265 346 P C 0.218 177.519 177.300 0.002 0.000 1.193 346 P CA 0.170 63.271 63.100 0.003 0.000 0.765 346 P CB 0.279 31.980 31.700 0.002 0.000 0.823 347 N N 0.103 118.800 118.700 -0.004 0.000 2.725 347 N HA -0.188 4.553 4.740 0.001 0.000 0.249 347 N C -0.109 175.397 175.510 -0.007 0.000 1.103 347 N CA 0.857 53.902 53.050 -0.008 0.000 0.707 347 N CB -0.566 37.918 38.487 -0.005 0.000 1.043 347 N HN 0.734 nan 8.380 nan 0.000 0.553 348 E N 0.224 120.422 120.200 -0.003 0.000 2.343 348 E HA 0.296 4.646 4.350 0.001 0.000 0.269 348 E C -0.125 176.458 176.600 -0.028 0.000 1.047 348 E CA -0.542 55.859 56.400 0.002 0.000 0.874 348 E CB 0.955 30.666 29.700 0.019 0.000 1.033 348 E HN -0.017 nan 8.360 nan 0.000 0.409 349 K N 2.130 122.501 120.400 -0.049 0.000 2.326 349 K HA 0.197 4.518 4.320 0.001 0.000 0.275 349 K C -0.966 175.452 176.600 -0.305 0.000 1.018 349 K CA -0.320 55.848 56.287 -0.198 0.000 0.962 349 K CB 0.469 32.819 32.500 -0.250 0.000 0.953 349 K HN 0.347 nan 8.250 nan 0.000 0.475 350 L N 4.769 125.794 121.223 -0.330 0.000 2.329 350 L HA 0.443 4.784 4.340 0.001 0.000 0.279 350 L C -1.031 175.717 176.870 -0.204 0.000 1.014 350 L CA -0.510 54.244 54.840 -0.143 0.000 0.814 350 L CB 0.782 42.879 42.059 0.063 0.000 1.257 350 L HN 0.549 nan 8.230 nan 0.000 0.424 351 Y N 2.502 122.982 120.300 0.300 0.000 2.524 351 Y HA 0.591 5.142 4.550 0.001 0.000 0.344 351 Y C -2.123 173.733 175.900 -0.073 0.000 1.012 351 Y CA -2.819 55.423 58.100 0.236 0.000 1.068 351 Y CB 1.167 39.836 38.460 0.348 0.000 1.249 351 Y HN 0.438 nan 8.280 nan 0.000 0.468 352 P HA 0.149 nan 4.420 nan 0.000 0.271 352 P C -0.848 176.363 177.300 -0.149 0.000 1.226 352 P CA 0.052 62.789 63.100 -0.605 0.000 0.765 352 P CB 1.086 32.507 31.700 -0.465 0.000 0.835 353 S N 1.455 117.097 115.700 -0.097 0.000 2.541 353 S HA 0.523 4.994 4.470 0.001 0.000 0.280 353 S C -0.340 174.267 174.600 0.012 0.000 1.112 353 S CA -0.593 57.634 58.200 0.045 0.000 0.925 353 S CB 1.469 64.817 63.200 0.247 0.000 1.067 353 S HN 0.537 nan 8.310 nan 0.000 0.479 354 S N 0.939 116.625 115.700 -0.023 0.000 2.593 354 S HA 0.831 5.302 4.470 0.001 0.000 0.297 354 S C -0.645 173.880 174.600 -0.126 0.000 1.112 354 S CA -0.720 57.392 58.200 -0.147 0.000 1.043 354 S CB 1.170 64.254 63.200 -0.193 0.000 1.054 354 S HN 0.446 nan 8.310 nan 0.000 0.516 355 V N 1.846 121.582 119.914 -0.296 0.000 2.487 355 V HA 0.538 4.659 4.120 0.001 0.000 0.298 355 V C -1.233 174.595 176.094 -0.444 0.000 1.028 355 V CA -0.617 61.578 62.300 -0.176 0.000 0.860 355 V CB 0.746 32.543 31.823 -0.044 0.000 0.991 355 V HN 0.990 nan 8.190 nan 0.000 0.427 356 W N 1.766 122.925 121.300 -0.235 0.000 2.781 356 W HA 0.767 5.427 4.660 0.001 0.000 0.345 356 W C 0.687 177.136 176.519 -0.116 0.000 1.085 356 W CA -0.540 56.674 57.345 -0.218 0.000 1.198 356 W CB 1.573 30.823 29.460 -0.351 0.000 1.423 356 W HN 0.786 nan 8.180 nan 0.000 0.532 357 G N 1.361 110.273 108.800 0.186 0.000 2.621 357 G HA2 0.346 4.307 3.960 0.001 0.000 0.271 357 G HA3 0.346 4.307 3.960 0.001 0.000 0.271 357 G C -1.771 173.215 174.900 0.144 0.000 1.236 357 G CA -0.949 44.225 45.100 0.124 0.000 0.958 357 G HN 0.313 nan 8.290 nan 0.000 0.512 358 P HA 0.056 nan 4.420 nan 0.000 0.235 358 P C 1.055 178.235 177.300 -0.200 0.000 1.177 358 P CA 0.412 63.343 63.100 -0.281 0.000 0.785 358 P CB 0.208 31.382 31.700 -0.877 0.000 0.885 359 T N -0.159 114.389 114.554 -0.010 0.000 2.795 359 T HA 0.018 4.369 4.350 0.001 0.000 0.314 359 T C 0.750 175.595 174.700 0.242 0.000 1.069 359 T CA 0.185 62.437 62.100 0.254 0.000 1.071 359 T CB 0.086 69.198 68.868 0.408 0.000 0.988 359 T HN 0.002 nan 8.240 nan 0.000 0.543 360 C N 2.751 122.192 119.300 0.235 0.000 2.353 360 C HA 0.321 4.782 4.460 0.001 0.000 0.338 360 C C 0.208 175.311 174.990 0.189 0.000 1.343 360 C CA -0.481 58.631 59.018 0.156 0.000 1.760 360 C CB -1.838 25.947 27.740 0.076 0.000 2.111 360 C HN 0.721 nan 8.230 nan 0.000 0.576 361 D N -0.980 119.587 120.400 0.279 0.000 2.498 361 D HA 0.372 5.013 4.640 0.001 0.000 0.247 361 D C 1.040 177.491 176.300 0.252 0.000 1.070 361 D CA -0.187 53.987 54.000 0.291 0.000 0.842 361 D CB 1.770 42.834 40.800 0.441 0.000 1.361 361 D HN 0.193 nan 8.370 nan 0.000 0.484 362 G N 2.265 111.180 108.800 0.191 0.000 2.776 362 G HA2 -0.104 3.857 3.960 0.001 0.000 0.209 362 G HA3 -0.104 3.857 3.960 0.001 0.000 0.209 362 G C 1.175 176.254 174.900 0.297 0.000 1.145 362 G CA 0.222 45.443 45.100 0.202 0.000 0.791 362 G HN 0.461 nan 8.290 nan 0.000 0.530 363 L N -0.564 120.796 121.223 0.228 0.000 2.554 363 L HA 0.350 4.690 4.340 0.001 0.000 0.225 363 L C 0.610 177.560 176.870 0.133 0.000 1.104 363 L CA 0.217 55.143 54.840 0.143 0.000 0.866 363 L CB 0.438 42.534 42.059 0.061 0.000 1.047 363 L HN -0.056 nan 8.230 nan 0.000 0.468 364 D N 1.615 122.167 120.400 0.252 0.000 2.608 364 D HA 0.047 4.688 4.640 0.001 0.000 0.224 364 D C -0.586 175.849 176.300 0.225 0.000 1.123 364 D CA 0.179 54.318 54.000 0.233 0.000 1.030 364 D CB -0.034 40.980 40.800 0.357 0.000 1.093 364 D HN 0.381 nan 8.370 nan 0.000 0.497 365 Q N 2.393 122.171 119.800 -0.037 0.000 2.321 365 Q HA 0.348 4.689 4.340 0.001 0.000 0.270 365 Q C 0.308 176.067 176.000 -0.402 0.000 1.032 365 Q CA -0.639 54.917 55.803 -0.411 0.000 0.784 365 Q CB 1.495 29.775 28.738 -0.764 0.000 1.264 365 Q HN 0.279 nan 8.270 nan 0.000 0.448 366 I N 2.494 122.769 120.570 -0.491 0.000 2.628 366 I HA 0.060 4.231 4.170 0.001 0.000 0.255 366 I C -0.073 175.803 176.117 -0.402 0.000 1.119 366 I CA 0.462 61.431 61.300 -0.552 0.000 1.448 366 I CB 0.859 38.303 38.000 -0.926 0.000 1.133 366 I HN 0.301 nan 8.210 nan 0.000 0.438 367 V N 0.370 120.055 119.914 -0.381 0.000 2.623 367 V HA 0.196 4.317 4.120 0.001 0.000 0.304 367 V C 0.658 176.562 176.094 -0.317 0.000 1.054 367 V CA -0.715 61.440 62.300 -0.241 0.000 0.882 367 V CB 1.940 33.698 31.823 -0.108 0.000 1.002 367 V HN 0.161 nan 8.190 nan 0.000 0.424 368 E N 3.633 123.693 120.200 -0.234 0.000 2.051 368 E HA 0.054 4.404 4.350 0.001 0.000 0.189 368 E C 0.968 177.487 176.600 -0.136 0.000 0.979 368 E CA 0.622 56.879 56.400 -0.239 0.000 0.803 368 E CB 0.407 30.014 29.700 -0.155 0.000 0.761 368 E HN 0.587 nan 8.360 nan 0.000 0.451 369 R N -0.218 120.254 120.500 -0.046 0.000 2.531 369 R HA 0.257 4.598 4.340 0.001 0.000 0.293 369 R C -2.258 174.083 176.300 0.068 0.000 1.124 369 R CA -0.447 55.636 56.100 -0.027 0.000 0.945 369 R CB 0.882 31.159 30.300 -0.040 0.000 1.195 369 R HN 0.095 nan 8.270 nan 0.000 0.433 370 Y N 2.864 123.106 120.300 -0.096 0.000 2.513 370 Y HA 0.356 4.907 4.550 0.001 0.000 0.340 370 Y C -1.547 174.313 175.900 -0.066 0.000 1.055 370 Y CA -0.798 57.294 58.100 -0.013 0.000 1.020 370 Y CB 1.657 40.133 38.460 0.025 0.000 1.301 370 Y HN 0.508 nan 8.280 nan 0.000 0.453 371 Y N 5.871 126.099 120.300 -0.119 0.000 2.504 371 Y HA 0.477 5.028 4.550 0.001 0.000 0.351 371 Y C -0.612 175.379 175.900 0.151 0.000 0.988 371 Y CA 0.100 58.209 58.100 0.014 0.000 1.239 371 Y CB 0.294 38.691 38.460 -0.105 0.000 1.128 371 Y HN 0.331 nan 8.280 nan 0.000 0.525 372 L N 6.460 127.860 121.223 0.295 0.000 2.341 372 L HA 0.596 4.937 4.340 0.001 0.000 0.267 372 L C -2.285 174.735 176.870 0.250 0.000 1.009 372 L CA -2.458 52.533 54.840 0.252 0.000 0.819 372 L CB 2.392 44.585 42.059 0.223 0.000 1.323 372 L HN 0.350 nan 8.230 nan 0.000 0.425 373 P HA 0.006 nan 4.420 nan 0.000 0.272 373 P C -0.901 176.487 177.300 0.147 0.000 1.230 373 P CA -0.384 62.816 63.100 0.166 0.000 0.788 373 P CB 0.559 32.304 31.700 0.075 0.000 0.949 374 E N 1.722 122.024 120.200 0.170 0.000 2.480 374 E HA 0.064 4.414 4.350 0.001 0.000 0.258 374 E C -0.280 176.211 176.600 -0.182 0.000 0.984 374 E CA 0.008 56.278 56.400 -0.218 0.000 0.930 374 E CB 0.117 29.657 29.700 -0.267 0.000 0.936 374 E HN 0.186 nan 8.360 nan 0.000 0.466 375 M N 2.691 122.136 119.600 -0.258 0.000 2.753 375 M HA 0.388 4.869 4.480 0.001 0.000 0.299 375 M C -0.291 175.919 176.300 -0.149 0.000 1.219 375 M CA -0.805 54.328 55.300 -0.279 0.000 0.900 375 M CB 1.561 33.774 32.600 -0.644 0.000 1.628 375 M HN 0.511 nan 8.290 nan 0.000 0.502 376 Q N 0.410 120.138 119.800 -0.119 0.000 2.451 376 Q HA 0.558 4.898 4.340 0.001 0.000 0.281 376 Q C -1.066 174.901 176.000 -0.054 0.000 1.099 376 Q CA -0.903 54.873 55.803 -0.045 0.000 0.806 376 Q CB 2.198 30.917 28.738 -0.032 0.000 1.419 376 Q HN 0.472 nan 8.270 nan 0.000 0.427 377 V N 1.147 121.052 119.914 -0.014 0.000 2.599 377 V HA 0.285 4.406 4.120 0.001 0.000 0.300 377 V C 1.360 177.406 176.094 -0.079 0.000 1.034 377 V CA 1.973 64.252 62.300 -0.035 0.000 1.115 377 V CB 0.223 32.043 31.823 -0.005 0.000 0.934 377 V HN 1.103 nan 8.190 nan 0.000 0.485 378 G N 3.476 112.184 108.800 -0.154 0.000 2.259 378 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 378 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 378 G C 0.148 174.857 174.900 -0.318 0.000 1.001 378 G CA 0.081 45.060 45.100 -0.201 0.000 0.627 378 G HN 0.630 nan 8.290 nan 0.000 0.501 379 E N -0.811 119.241 120.200 -0.246 0.000 2.376 379 E HA 0.480 4.830 4.350 0.001 0.000 0.254 379 E C -0.480 175.905 176.600 -0.360 0.000 1.213 379 E CA -0.373 55.919 56.400 -0.181 0.000 0.945 379 E CB 0.579 30.229 29.700 -0.083 0.000 1.057 379 E HN 0.349 nan 8.360 nan 0.000 0.479 380 W N 0.594 121.864 121.300 -0.049 0.000 2.666 380 W HA 0.470 5.131 4.660 0.000 0.000 0.334 380 W C -0.691 175.768 176.519 -0.100 0.000 1.051 380 W CA -0.463 56.853 57.345 -0.048 0.000 1.224 380 W CB 0.894 30.343 29.460 -0.018 0.000 1.405 380 W HN 0.174 nan 8.180 nan 0.000 0.513 381 L N 3.316 124.618 121.223 0.132 0.000 2.346 381 L HA 0.598 4.939 4.340 0.001 0.000 0.274 381 L C -0.550 176.289 176.870 -0.052 0.000 1.007 381 L CA -0.972 53.840 54.840 -0.046 0.000 0.818 381 L CB 1.291 43.290 42.059 -0.100 0.000 1.284 381 L HN 0.245 nan 8.230 nan 0.000 0.424 382 L N 2.812 123.888 121.223 -0.245 0.000 2.334 382 L HA 0.531 4.872 4.340 0.001 0.000 0.276 382 L C -1.305 175.315 176.870 -0.416 0.000 1.014 382 L CA -0.452 54.280 54.840 -0.181 0.000 0.815 382 L CB 1.831 43.822 42.059 -0.113 0.000 1.268 382 L HN 0.371 nan 8.230 nan 0.000 0.428 383 F N 0.793 120.759 119.950 0.026 0.000 2.496 383 F HA 0.370 4.898 4.527 0.001 0.000 0.341 383 F C 0.436 176.280 175.800 0.074 0.000 1.134 383 F CA -0.650 57.392 58.000 0.070 0.000 0.968 383 F CB 1.495 40.601 39.000 0.177 0.000 1.205 383 F HN 0.428 nan 8.300 nan 0.000 0.436 384 E N 1.819 122.127 120.200 0.181 0.000 2.345 384 E HA 0.164 4.515 4.350 0.001 0.000 0.259 384 E C -0.626 176.089 176.600 0.191 0.000 1.117 384 E CA -0.496 55.999 56.400 0.158 0.000 0.913 384 E CB 0.482 30.241 29.700 0.098 0.000 1.057 384 E HN 0.499 nan 8.360 nan 0.000 0.432 385 D N 0.955 121.461 120.400 0.176 0.000 2.716 385 D HA -0.163 4.477 4.640 0.001 0.000 0.239 385 D C -0.278 176.131 176.300 0.182 0.000 1.125 385 D CA 0.680 54.779 54.000 0.166 0.000 0.681 385 D CB -0.436 40.448 40.800 0.141 0.000 1.070 385 D HN 0.349 nan 8.370 nan 0.000 0.432 386 M N -0.576 119.159 119.600 0.225 0.000 2.778 386 M HA 0.243 4.724 4.480 0.001 0.000 0.359 386 M C 1.667 178.029 176.300 0.103 0.000 1.216 386 M CA 0.099 55.525 55.300 0.210 0.000 0.935 386 M CB 0.663 33.448 32.600 0.308 0.000 1.330 386 M HN 0.125 nan 8.290 nan 0.000 0.516 387 G N 0.047 108.852 108.800 0.009 0.000 2.887 387 G HA2 0.375 4.336 3.960 0.001 0.000 0.211 387 G HA3 0.375 4.336 3.960 0.001 0.000 0.211 387 G C 0.422 175.095 174.900 -0.378 0.000 1.152 387 G CA 0.096 44.973 45.100 -0.372 0.000 0.769 387 G HN 0.481 nan 8.290 nan 0.000 0.541 388 A N -0.057 122.681 122.820 -0.136 0.000 2.260 388 A HA 0.620 4.941 4.320 0.001 0.000 0.314 388 A C -0.178 177.407 177.584 0.001 0.000 1.257 388 A CA -0.786 51.180 52.037 -0.119 0.000 0.871 388 A CB -0.052 19.010 19.000 0.103 0.000 1.166 388 A HN 0.683 nan 8.150 nan 0.000 0.522 389 Y N 1.352 121.619 120.300 -0.055 0.000 3.305 389 Y HA -0.329 4.222 4.550 0.001 0.000 0.212 389 Y C 1.574 177.446 175.900 -0.045 0.000 1.248 389 Y CA 1.154 59.230 58.100 -0.040 0.000 1.359 389 Y CB -2.393 36.074 38.460 0.013 0.000 1.407 389 Y HN 0.892 nan 8.280 nan 0.000 0.572 390 T N -5.321 109.205 114.554 -0.047 0.000 3.311 390 T HA 0.068 4.419 4.350 0.001 0.000 0.239 390 T C 1.573 176.239 174.700 -0.056 0.000 0.976 390 T CA 0.532 62.609 62.100 -0.038 0.000 1.283 390 T CB -0.788 68.050 68.868 -0.050 0.000 1.113 390 T HN 0.394 nan 8.240 nan 0.000 0.392 391 V N 2.218 122.018 119.914 -0.191 0.000 3.241 391 V HA 0.050 4.171 4.120 0.001 0.000 0.269 391 V C 2.381 178.428 176.094 -0.078 0.000 1.151 391 V CA 1.014 63.232 62.300 -0.137 0.000 1.158 391 V CB -1.497 30.148 31.823 -0.297 0.000 0.764 391 V HN 0.583 nan 8.190 nan 0.000 0.508 392 V N -1.975 117.888 119.914 -0.084 0.000 3.125 392 V HA 0.477 4.598 4.120 0.001 0.000 0.249 392 V C 2.113 178.186 176.094 -0.034 0.000 1.113 392 V CA 1.191 63.456 62.300 -0.057 0.000 1.106 392 V CB -0.556 31.221 31.823 -0.077 0.000 0.768 392 V HN 0.440 nan 8.190 nan 0.000 0.468 393 G N 1.993 110.779 108.800 -0.023 0.000 3.314 393 G HA2 0.229 4.189 3.960 0.001 0.000 0.238 393 G HA3 0.229 4.189 3.960 0.001 0.000 0.238 393 G C 0.635 175.552 174.900 0.028 0.000 1.184 393 G CA 0.621 45.688 45.100 -0.055 0.000 0.806 393 G HN 0.664 nan 8.290 nan 0.000 0.536 394 T N -0.808 113.781 114.554 0.059 0.000 2.910 394 T HA 0.580 4.931 4.350 0.001 0.000 0.293 394 T C 0.432 175.212 174.700 0.133 0.000 1.015 394 T CA -0.066 62.104 62.100 0.117 0.000 1.094 394 T CB 1.823 70.762 68.868 0.119 0.000 0.968 394 T HN 0.277 nan 8.240 nan 0.000 0.521 395 S N 0.704 116.524 115.700 0.200 0.000 2.751 395 S HA 0.640 5.111 4.470 0.001 0.000 0.310 395 S C 0.210 174.955 174.600 0.241 0.000 1.128 395 S CA -0.510 57.820 58.200 0.217 0.000 0.931 395 S CB 1.462 64.829 63.200 0.279 0.000 1.177 395 S HN 1.171 nan 8.310 nan 0.000 0.530 396 S N 0.269 116.098 115.700 0.214 0.000 2.449 396 S HA 0.357 4.827 4.470 0.001 0.000 0.237 396 S C -0.488 174.221 174.600 0.183 0.000 1.214 396 S CA -0.660 57.652 58.200 0.187 0.000 1.226 396 S CB -0.958 62.306 63.200 0.107 0.000 0.904 396 S HN 0.589 nan 8.310 nan 0.000 0.490 397 F N 3.379 123.374 119.950 0.075 0.000 2.578 397 F HA 0.270 4.798 4.527 0.002 0.000 0.376 397 F C 1.164 176.933 175.800 -0.050 0.000 1.085 397 F CA 0.319 58.274 58.000 -0.075 0.000 1.260 397 F CB -0.289 38.492 39.000 -0.365 0.000 1.095 397 F HN 0.643 nan 8.300 nan 0.000 0.573 398 N N 3.088 121.341 118.700 -0.745 0.000 2.878 398 N HA -0.219 4.521 4.740 0.001 0.000 0.247 398 N C 0.923 176.065 175.510 -0.613 0.000 1.021 398 N CA 0.611 53.273 53.050 -0.648 0.000 0.873 398 N CB -1.331 36.921 38.487 -0.392 0.000 1.128 398 N HN 1.224 nan 8.380 nan 0.000 0.571 399 G N -0.227 108.352 108.800 -0.368 0.000 2.155 399 G HA2 -0.334 3.627 3.960 0.001 0.000 0.257 399 G HA3 -0.334 3.627 3.960 0.001 0.000 0.257 399 G C 0.037 174.762 174.900 -0.291 0.000 0.983 399 G CA 0.514 45.432 45.100 -0.303 0.000 0.676 399 G HN 0.446 nan 8.290 nan 0.000 0.528 400 F N 1.167 121.116 119.950 -0.001 0.000 2.427 400 F HA 0.441 4.968 4.527 0.001 0.000 0.352 400 F C 1.054 176.897 175.800 0.072 0.000 1.100 400 F CA -0.589 57.438 58.000 0.044 0.000 1.191 400 F CB 0.884 39.927 39.000 0.072 0.000 1.128 400 F HN -0.008 nan 8.300 nan 0.000 0.533 401 Q N 1.827 121.781 119.800 0.257 0.000 2.259 401 Q HA 0.213 4.554 4.340 0.001 0.000 0.246 401 Q C 0.006 176.120 176.000 0.191 0.000 0.920 401 Q CA -0.456 55.455 55.803 0.179 0.000 0.895 401 Q CB 1.709 30.529 28.738 0.135 0.000 1.220 401 Q HN 0.760 nan 8.270 nan 0.000 0.439 402 S N 2.064 117.863 115.700 0.165 0.000 2.585 402 S HA 0.383 4.854 4.470 0.001 0.000 0.273 402 S C -2.065 172.636 174.600 0.169 0.000 1.339 402 S CA -1.025 57.275 58.200 0.166 0.000 1.028 402 S CB 0.147 63.442 63.200 0.158 0.000 0.906 402 S HN 0.347 nan 8.310 nan 0.000 0.528 403 P HA 0.183 nan 4.420 nan 0.000 0.272 403 P C -0.151 177.302 177.300 0.254 0.000 1.223 403 P CA -0.303 62.913 63.100 0.194 0.000 0.784 403 P CB 0.065 31.797 31.700 0.054 0.000 0.923 404 T N 0.681 115.383 114.554 0.247 0.000 2.913 404 T HA 0.469 4.820 4.350 0.001 0.000 0.297 404 T C 0.558 175.367 174.700 0.181 0.000 1.029 404 T CA -0.503 61.680 62.100 0.138 0.000 1.104 404 T CB 0.185 69.075 68.868 0.037 0.000 0.964 404 T HN 0.177 nan 8.240 nan 0.000 0.532 405 I N 2.083 122.625 120.570 -0.046 0.000 2.359 405 I HA 0.400 4.571 4.170 0.001 0.000 0.294 405 I C -0.730 174.993 176.117 -0.656 0.000 0.987 405 I CA -0.799 60.416 61.300 -0.142 0.000 1.225 405 I CB 0.778 38.690 38.000 -0.147 0.000 1.366 405 I HN 0.592 nan 8.210 nan 0.000 0.466 406 Y N 4.808 124.855 120.300 -0.421 0.000 2.509 406 Y HA 0.579 5.129 4.550 0.000 0.000 0.341 406 Y C -0.907 174.620 175.900 -0.622 0.000 1.038 406 Y CA -0.725 57.098 58.100 -0.462 0.000 1.089 406 Y CB 1.512 39.873 38.460 -0.164 0.000 1.241 406 Y HN 0.319 nan 8.280 nan 0.000 0.468 407 Y N 0.968 121.298 120.300 0.050 0.000 2.350 407 Y HA 0.533 5.084 4.550 0.001 0.000 0.338 407 Y C -0.391 175.614 175.900 0.175 0.000 0.961 407 Y CA -1.216 56.904 58.100 0.032 0.000 1.100 407 Y CB 1.787 40.211 38.460 -0.060 0.000 1.179 407 Y HN 0.376 nan 8.280 nan 0.000 0.454 408 V N 4.619 124.675 119.914 0.236 0.000 2.427 408 V HA 0.621 4.742 4.120 0.001 0.000 0.286 408 V C -1.012 175.175 176.094 0.155 0.000 1.034 408 V CA -0.590 61.820 62.300 0.183 0.000 0.893 408 V CB 1.322 33.203 31.823 0.097 0.000 0.982 408 V HN 0.578 nan 8.190 nan 0.000 0.452 409 V N 7.039 127.016 119.914 0.105 0.000 2.239 409 V HA 0.339 4.460 4.120 0.001 0.000 0.267 409 V C 0.838 176.910 176.094 -0.037 0.000 1.056 409 V CA 0.282 62.596 62.300 0.023 0.000 0.830 409 V CB 0.260 32.052 31.823 -0.050 0.000 1.090 409 V HN 1.136 nan 8.190 nan 0.000 0.459 410 S N 0.000 115.683 115.700 -0.029 0.000 2.498 410 S HA 0.000 4.471 4.470 0.001 0.000 0.327 410 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 410 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 410 S HN 0.000 nan 8.310 nan 0.000 0.517