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 3mmy_1_G DATA FIRST_RESID 4 DATA SEQUENCE FXXXSGFGTS GTSMFXXXXT DNHNPMKDIE VTSSPDDSIG CLSFSPPTLP DATA SEQUENCE GNFLIAGSWA NDVRCWEVQD SGQTIPKAQQ MHTGPVLDVC WSDDGSKVFT DATA SEQUENCE ASCDKTAKMW DLSSNQAIQI AQHDAPVKTI HWIKAPNYSC VMTGSWDKTL DATA SEQUENCE KFWDTRSSNP MMVLQLPERC YCADVIYPMA VVATAERGLI VYQLENQPSE DATA SEQUENCE FRRIESPLKH QHRCVAIFKD KQNKPTGFAL GSIEGRVAIH YINPPNPAKD DATA SEQUENCE NFTFKCHRSN GTNTSAPQDI YAVNGIAFHP VHGTLATVGS DGRFSFWDKD DATA SEQUENCE ARTKLKTSEQ LDQPISACCF NHNGNIFAYA SSYDWSKGHE FYNPQKKNYI DATA SEQUENCE FLRNAAEELK PR 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.805 175.800 0.009 0.000 0.967 4 F CA 0.000 58.004 58.000 0.007 0.000 1.383 4 F CB 0.000 39.005 39.000 0.008 0.000 1.145 9 G N 1.113 109.914 108.800 0.002 0.000 2.640 9 G HA2 0.110 4.070 3.960 0.001 0.000 0.686 9 G HA3 0.110 4.070 3.960 0.001 0.000 0.686 9 G C -0.241 174.747 174.900 0.145 0.000 1.229 9 G CA -0.108 44.965 45.100 -0.046 0.000 0.796 9 G HN 0.518 nan 8.290 nan 0.000 0.654 10 F N 1.869 121.839 119.950 0.033 0.000 2.407 10 F HA 0.328 4.855 4.527 0.001 0.000 0.299 10 F C 2.345 178.166 175.800 0.035 0.000 1.097 10 F CA 1.434 59.457 58.000 0.038 0.000 1.422 10 F CB -1.034 37.998 39.000 0.052 0.000 1.067 10 F HN 1.882 nan 8.300 nan 0.000 0.539 11 G N 0.133 109.053 108.800 0.201 0.000 2.601 11 G HA2 -0.220 3.741 3.960 0.001 0.000 0.252 11 G HA3 -0.220 3.741 3.960 0.001 0.000 0.252 11 G C -0.360 174.612 174.900 0.121 0.000 1.294 11 G CA -0.121 45.051 45.100 0.120 0.000 0.912 11 G HN 0.295 nan 8.290 nan 0.000 0.574 12 T N 0.393 114.995 114.554 0.079 0.000 2.916 12 T HA 0.642 4.992 4.350 0.001 0.000 0.298 12 T C 0.018 174.741 174.700 0.039 0.000 1.031 12 T CA 0.122 62.258 62.100 0.059 0.000 0.993 12 T CB 1.754 70.646 68.868 0.041 0.000 1.045 12 T HN 0.847 nan 8.240 nan 0.000 0.454 13 S N 1.418 117.134 115.700 0.028 0.000 2.565 13 S HA 0.658 5.128 4.470 0.001 0.000 0.276 13 S C 0.668 175.268 174.600 0.000 0.000 1.326 13 S CA -0.693 57.514 58.200 0.012 0.000 1.045 13 S CB 0.929 64.130 63.200 0.001 0.000 0.918 13 S HN 0.916 nan 8.310 nan 0.000 0.505 14 G N 0.991 109.789 108.800 -0.003 0.000 2.511 14 G HA2 0.666 4.626 3.960 0.001 0.000 0.318 14 G HA3 0.666 4.626 3.960 0.001 0.000 0.318 14 G C -0.601 174.287 174.900 -0.019 0.000 1.210 14 G CA -0.749 44.342 45.100 -0.015 0.000 0.969 14 G HN 0.692 nan 8.290 nan 0.000 0.484 15 T N -2.124 112.410 114.554 -0.033 0.000 2.918 15 T HA 0.609 4.960 4.350 0.001 0.000 0.286 15 T C 0.490 175.156 174.700 -0.057 0.000 1.026 15 T CA -0.514 61.566 62.100 -0.033 0.000 1.031 15 T CB 1.603 70.451 68.868 -0.034 0.000 1.046 15 T HN 0.692 nan 8.240 nan 0.000 0.479 16 S N 1.172 116.845 115.700 -0.044 0.000 2.558 16 S HA 0.036 4.506 4.470 0.001 0.000 0.288 16 S C 1.456 175.933 174.600 -0.205 0.000 1.318 16 S CA -0.470 57.683 58.200 -0.077 0.000 1.056 16 S CB -0.266 62.943 63.200 0.016 0.000 0.853 16 S HN 0.716 nan 8.310 nan 0.000 0.505 17 M N 3.506 122.829 119.600 -0.463 0.000 2.539 17 M HA 0.049 4.530 4.480 0.001 0.000 0.261 17 M C -0.462 175.373 176.300 -0.774 0.000 1.069 17 M CA 1.107 55.949 55.300 -0.763 0.000 1.081 17 M CB -0.143 31.740 32.600 -1.195 0.000 1.412 17 M HN 0.591 nan 8.290 nan 0.000 0.482 24 D N 0.781 121.205 120.400 0.040 0.000 2.252 24 D HA 0.619 5.259 4.640 0.001 0.000 0.245 24 D C 0.001 176.334 176.300 0.056 0.000 1.009 24 D CA -0.566 53.477 54.000 0.072 0.000 0.870 24 D CB 1.760 42.636 40.800 0.128 0.000 1.251 24 D HN 0.128 nan 8.370 nan 0.000 0.460 25 N N 0.481 119.220 118.700 0.065 0.000 2.275 25 N HA -0.010 4.730 4.740 0.001 0.000 0.236 25 N C 0.853 176.376 175.510 0.021 0.000 1.154 25 N CA -0.117 52.941 53.050 0.013 0.000 0.866 25 N CB 0.073 38.569 38.487 0.014 0.000 1.093 25 N HN 0.490 nan 8.380 nan 0.000 0.515 26 H N -1.860 117.188 119.070 -0.037 0.000 2.436 26 H HA 0.093 4.649 4.556 0.001 0.000 0.294 26 H C -0.218 175.031 175.328 -0.130 0.000 1.048 26 H CA 0.788 56.806 56.048 -0.050 0.000 1.353 26 H CB 0.246 29.945 29.762 -0.105 0.000 1.414 26 H HN 0.076 nan 8.280 nan 0.000 0.536 27 N N 1.562 119.726 118.700 -0.894 0.000 2.752 27 N HA 0.149 4.889 4.740 0.001 0.000 0.260 27 N C -2.122 173.056 175.510 -0.554 0.000 1.562 27 N CA -1.814 50.657 53.050 -0.966 0.000 0.788 27 N CB 1.028 38.785 38.487 -1.217 0.000 1.192 27 N HN 0.089 nan 8.380 nan 0.000 0.503 28 P HA -0.020 nan 4.420 nan 0.000 0.229 28 P C 1.077 178.265 177.300 -0.186 0.000 1.160 28 P CA 0.635 63.602 63.100 -0.221 0.000 0.777 28 P CB 0.320 31.922 31.700 -0.163 0.000 0.814 29 M N -0.804 118.680 119.600 -0.192 0.000 2.595 29 M HA 0.066 4.547 4.480 0.001 0.000 0.248 29 M C 0.562 176.809 176.300 -0.089 0.000 1.119 29 M CA 0.316 55.562 55.300 -0.090 0.000 1.079 29 M CB -1.065 31.563 32.600 0.046 0.000 1.472 29 M HN -0.059 nan 8.290 nan 0.000 0.501 30 K N 1.620 121.906 120.400 -0.190 0.000 3.148 30 K HA -0.161 4.159 4.320 0.001 0.000 0.267 30 K C -0.639 175.903 176.600 -0.095 0.000 0.996 30 K CA 0.312 56.503 56.287 -0.160 0.000 0.737 30 K CB -1.284 31.165 32.500 -0.085 0.000 1.308 30 K HN 0.348 nan 8.250 nan 0.000 0.470 31 D N 0.383 120.696 120.400 -0.146 0.000 2.358 31 D HA 0.138 4.779 4.640 0.001 0.000 0.244 31 D C 1.038 177.335 176.300 -0.006 0.000 1.163 31 D CA -0.353 53.644 54.000 -0.006 0.000 0.945 31 D CB 0.591 41.440 40.800 0.083 0.000 1.152 31 D HN 0.003 nan 8.370 nan 0.000 0.451 32 I N 1.267 121.831 120.570 -0.011 0.000 2.710 32 I HA -0.101 4.069 4.170 0.001 0.000 0.286 32 I C 0.822 176.954 176.117 0.024 0.000 1.181 32 I CA 0.726 61.957 61.300 -0.115 0.000 1.430 32 I CB -0.152 37.560 38.000 -0.480 0.000 1.367 32 I HN 0.159 nan 8.210 nan 0.000 0.577 33 E N 5.000 125.225 120.200 0.041 0.000 2.156 33 E HA 0.312 4.663 4.350 0.001 0.000 0.279 33 E C -0.734 175.810 176.600 -0.094 0.000 0.965 33 E CA -0.748 55.688 56.400 0.060 0.000 0.789 33 E CB 2.011 31.819 29.700 0.181 0.000 1.098 33 E HN 0.277 nan 8.360 nan 0.000 0.397 34 V N 3.560 123.335 119.914 -0.233 0.000 2.585 34 V HA -0.023 4.097 4.120 0.001 0.000 0.296 34 V C 0.804 176.778 176.094 -0.201 0.000 1.035 34 V CA -0.035 62.047 62.300 -0.363 0.000 1.084 34 V CB 0.406 31.776 31.823 -0.754 0.000 0.953 34 V HN 0.792 nan 8.190 nan 0.000 0.483 35 T N 1.856 116.365 114.554 -0.075 0.000 2.918 35 T HA 0.271 4.621 4.350 0.001 0.000 0.302 35 T C 0.435 175.269 174.700 0.224 0.000 1.045 35 T CA 0.012 62.159 62.100 0.077 0.000 1.114 35 T CB 0.847 69.784 68.868 0.116 0.000 0.965 35 T HN 0.959 nan 8.240 nan 0.000 0.540 36 S N 1.026 116.832 115.700 0.178 0.000 3.572 36 S HA -0.134 4.336 4.470 0.001 0.000 0.394 36 S C 0.590 175.383 174.600 0.322 0.000 0.923 36 S CA 0.390 58.718 58.200 0.213 0.000 1.291 36 S CB -2.221 61.105 63.200 0.211 0.000 0.914 36 S HN 1.448 nan 8.310 nan 0.000 0.545 37 S N 0.616 116.409 115.700 0.156 0.000 2.614 37 S HA 0.620 5.091 4.470 0.001 0.000 0.265 37 S C -2.038 172.650 174.600 0.147 0.000 1.303 37 S CA -1.419 56.863 58.200 0.136 0.000 1.000 37 S CB 0.215 63.354 63.200 -0.102 0.000 0.935 37 S HN 0.231 nan 8.310 nan 0.000 0.551 38 P HA 0.178 nan 4.420 nan 0.000 0.269 38 P C -0.171 177.162 177.300 0.055 0.000 1.217 38 P CA -0.155 63.020 63.100 0.126 0.000 0.783 38 P CB 0.272 32.061 31.700 0.149 0.000 0.898 39 D N -0.349 120.084 120.400 0.055 0.000 2.340 39 D HA 0.041 4.681 4.640 0.001 0.000 0.220 39 D C 0.211 176.560 176.300 0.082 0.000 1.039 39 D CA 1.105 55.130 54.000 0.042 0.000 0.866 39 D CB 0.117 40.938 40.800 0.035 0.000 0.913 39 D HN 0.338 nan 8.370 nan 0.000 0.523 40 D N -1.243 119.230 120.400 0.122 0.000 2.610 40 D HA 0.208 4.848 4.640 0.001 0.000 0.271 40 D C -0.693 175.730 176.300 0.206 0.000 1.174 40 D CA -0.588 53.531 54.000 0.197 0.000 0.949 40 D CB 1.599 42.545 40.800 0.244 0.000 1.430 40 D HN -0.328 nan 8.370 nan 0.000 0.467 41 S N 0.197 116.045 115.700 0.247 0.000 2.561 41 S HA 0.115 4.585 4.470 0.001 0.000 0.294 41 S C 0.394 175.156 174.600 0.270 0.000 1.294 41 S CA 0.026 58.352 58.200 0.210 0.000 1.055 41 S CB -0.065 63.190 63.200 0.092 0.000 0.819 41 S HN 0.225 nan 8.310 nan 0.000 0.503 42 I N 2.492 123.180 120.570 0.197 0.000 2.315 42 I HA 0.290 4.461 4.170 0.001 0.000 0.291 42 I C 1.410 177.656 176.117 0.216 0.000 1.006 42 I CA -0.120 61.291 61.300 0.184 0.000 1.265 42 I CB 1.190 39.250 38.000 0.101 0.000 1.387 42 I HN 0.833 nan 8.210 nan 0.000 0.475 43 G N 5.257 114.204 108.800 0.246 0.000 2.492 43 G HA2 0.078 4.039 3.960 0.001 0.000 0.214 43 G HA3 0.078 4.039 3.960 0.001 0.000 0.214 43 G C 0.254 175.235 174.900 0.135 0.000 1.147 43 G CA 0.474 45.718 45.100 0.240 0.000 0.809 43 G HN 0.697 nan 8.290 nan 0.000 0.533 44 C N -1.365 117.992 119.300 0.096 0.000 3.171 44 C HA 0.830 5.291 4.460 0.001 0.000 0.336 44 C C -0.962 174.073 174.990 0.075 0.000 1.198 44 C CA -1.676 57.388 59.018 0.078 0.000 1.319 44 C CB 0.872 28.640 27.740 0.048 0.000 1.682 44 C HN 0.123 nan 8.230 nan 0.000 0.497 45 L N 2.013 123.282 121.223 0.076 0.000 2.422 45 L HA 0.843 5.183 4.340 0.001 0.000 0.264 45 L C -0.176 176.758 176.870 0.106 0.000 0.984 45 L CA -0.223 54.649 54.840 0.054 0.000 0.819 45 L CB 2.002 44.052 42.059 -0.015 0.000 1.330 45 L HN 0.926 nan 8.230 nan 0.000 0.410 46 S N 1.510 117.291 115.700 0.134 0.000 2.603 46 S HA 0.623 5.093 4.470 0.001 0.000 0.274 46 S C -1.286 173.533 174.600 0.366 0.000 1.168 46 S CA -0.421 57.953 58.200 0.290 0.000 0.963 46 S CB 0.801 64.228 63.200 0.379 0.000 1.078 46 S HN 0.375 nan 8.310 nan 0.000 0.477 47 F N 3.208 123.328 119.950 0.284 0.000 2.379 47 F HA 0.416 4.944 4.527 0.001 0.000 0.332 47 F C 1.351 176.962 175.800 -0.315 0.000 1.096 47 F CA -0.260 57.815 58.000 0.123 0.000 1.105 47 F CB 1.496 40.546 39.000 0.085 0.000 1.189 47 F HN 0.684 nan 8.300 nan 0.000 0.515 48 S N 3.732 119.145 115.700 -0.478 0.000 2.566 48 S HA 0.175 4.645 4.470 0.001 0.000 0.280 48 S C -2.531 171.736 174.600 -0.555 0.000 1.343 48 S CA -1.232 56.145 58.200 -1.372 0.000 1.036 48 S CB 0.090 62.678 63.200 -1.019 0.000 0.866 48 S HN 0.311 nan 8.310 nan 0.000 0.526 49 P HA 0.268 nan 4.420 nan 0.000 0.276 49 P C -2.002 175.128 177.300 -0.284 0.000 1.252 49 P CA -1.900 61.075 63.100 -0.208 0.000 0.802 49 P CB -0.178 31.459 31.700 -0.106 0.000 1.035 50 P HA -0.129 nan 4.420 nan 0.000 0.226 50 P C 1.244 178.323 177.300 -0.368 0.000 1.146 50 P CA 1.508 64.198 63.100 -0.683 0.000 0.773 50 P CB -0.764 30.679 31.700 -0.428 0.000 0.772 51 T N -3.126 111.303 114.554 -0.208 0.000 2.995 51 T HA 0.009 4.359 4.350 0.001 0.000 0.269 51 T C 1.004 175.638 174.700 -0.112 0.000 1.091 51 T CA 0.298 62.324 62.100 -0.124 0.000 1.128 51 T CB -0.515 68.311 68.868 -0.069 0.000 0.891 51 T HN 0.029 nan 8.240 nan 0.000 0.492 52 L N 2.717 123.857 121.223 -0.138 0.000 2.276 52 L HA 0.400 4.741 4.340 0.001 0.000 0.286 52 L C -2.362 174.497 176.870 -0.017 0.000 1.061 52 L CA -2.424 52.377 54.840 -0.064 0.000 0.807 52 L CB 1.102 43.121 42.059 -0.066 0.000 1.177 52 L HN 0.028 nan 8.230 nan 0.000 0.429 53 P HA 0.254 nan 4.420 nan 0.000 0.271 53 P C 0.184 177.563 177.300 0.132 0.000 1.216 53 P CA 0.284 63.419 63.100 0.059 0.000 0.771 53 P CB 0.945 32.679 31.700 0.057 0.000 0.864 54 G N 2.618 111.455 108.800 0.062 0.000 2.782 54 G HA2 -0.175 3.786 3.960 0.001 0.000 0.228 54 G HA3 -0.175 3.786 3.960 0.001 0.000 0.228 54 G C -1.072 173.801 174.900 -0.044 0.000 1.372 54 G CA -0.783 44.303 45.100 -0.023 0.000 0.862 54 G HN 0.602 nan 8.290 nan 0.000 0.547 55 N N -0.390 118.174 118.700 -0.227 0.000 2.346 55 N HA 0.656 5.396 4.740 0.001 0.000 0.289 55 N C -1.367 174.009 175.510 -0.224 0.000 1.027 55 N CA -0.238 52.768 53.050 -0.074 0.000 0.864 55 N CB 1.432 39.910 38.487 -0.015 0.000 1.370 55 N HN 0.343 nan 8.380 nan 0.000 0.481 56 F N 1.431 121.546 119.950 0.274 0.000 2.493 56 F HA 0.427 4.955 4.527 0.001 0.000 0.329 56 F C 0.018 176.018 175.800 0.333 0.000 1.126 56 F CA -0.959 57.219 58.000 0.296 0.000 0.937 56 F CB 1.660 40.814 39.000 0.256 0.000 1.146 56 F HN 0.193 nan 8.300 nan 0.000 0.442 57 L N 5.025 126.457 121.223 0.348 0.000 2.317 57 L HA 0.671 5.011 4.340 0.001 0.000 0.281 57 L C -1.125 175.962 176.870 0.361 0.000 1.024 57 L CA -0.439 54.395 54.840 -0.010 0.000 0.810 57 L CB 0.817 42.620 42.059 -0.426 0.000 1.240 57 L HN 0.359 nan 8.230 nan 0.000 0.427 58 I N 4.332 125.077 120.570 0.293 0.000 2.474 58 I HA 0.725 4.895 4.170 0.001 0.000 0.294 58 I C -0.146 176.120 176.117 0.249 0.000 1.005 58 I CA -0.639 60.818 61.300 0.262 0.000 1.113 58 I CB 1.317 39.374 38.000 0.094 0.000 1.289 58 I HN 0.776 nan 8.210 nan 0.000 0.436 59 A N 3.955 126.968 122.820 0.322 0.000 2.422 59 A HA 0.848 5.168 4.320 0.001 0.000 0.302 59 A C -0.215 177.464 177.584 0.157 0.000 1.041 59 A CA -0.508 51.680 52.037 0.251 0.000 0.708 59 A CB 1.723 20.948 19.000 0.375 0.000 1.257 59 A HN 0.824 nan 8.150 nan 0.000 0.414 60 G N 0.434 109.287 108.800 0.088 0.000 2.400 60 G HA2 0.640 4.601 3.960 0.001 0.000 0.333 60 G HA3 0.640 4.601 3.960 0.001 0.000 0.333 60 G C -0.098 174.823 174.900 0.036 0.000 1.143 60 G CA 0.253 45.366 45.100 0.022 0.000 0.914 60 G HN 1.662 nan 8.290 nan 0.000 0.480 61 S N -0.180 115.522 115.700 0.002 0.000 2.697 61 S HA 0.391 4.862 4.470 0.001 0.000 0.289 61 S C -0.418 174.169 174.600 -0.021 0.000 1.149 61 S CA -0.882 57.362 58.200 0.073 0.000 0.850 61 S CB 1.140 64.417 63.200 0.128 0.000 1.151 61 S HN 0.561 nan 8.310 nan 0.000 0.491 62 W N 0.851 122.136 121.300 -0.024 0.000 3.204 62 W HA 0.408 5.069 4.660 0.001 0.000 0.249 62 W C 1.699 178.199 176.519 -0.031 0.000 1.322 62 W CA 0.281 57.595 57.345 -0.052 0.000 1.593 62 W CB -0.286 29.128 29.460 -0.076 0.000 1.122 62 W HN 0.842 nan 8.180 nan 0.000 0.710 63 A N 0.456 123.340 122.820 0.108 0.000 2.423 63 A HA 0.168 4.489 4.320 0.001 0.000 0.246 63 A C 0.931 178.504 177.584 -0.018 0.000 1.278 63 A CA 0.290 52.361 52.037 0.058 0.000 0.903 63 A CB -0.342 18.699 19.000 0.068 0.000 0.997 63 A HN 0.256 nan 8.150 nan 0.000 0.510 64 N N 0.207 118.862 118.700 -0.075 0.000 2.984 64 N HA -0.126 4.614 4.740 0.001 0.000 0.227 64 N C -0.636 174.822 175.510 -0.086 0.000 0.903 64 N CA 1.434 54.420 53.050 -0.106 0.000 0.995 64 N CB -1.621 36.817 38.487 -0.082 0.000 1.065 64 N HN 0.851 nan 8.380 nan 0.000 0.585 65 D N 0.253 120.605 120.400 -0.080 0.000 2.229 65 D HA 0.515 5.156 4.640 0.001 0.000 0.249 65 D C 0.100 176.346 176.300 -0.090 0.000 1.027 65 D CA -0.477 53.460 54.000 -0.105 0.000 0.923 65 D CB 2.005 42.748 40.800 -0.096 0.000 1.174 65 D HN -0.082 nan 8.370 nan 0.000 0.443 66 V N 1.197 121.024 119.914 -0.145 0.000 2.448 66 V HA 0.478 4.599 4.120 0.001 0.000 0.295 66 V C 0.228 176.259 176.094 -0.105 0.000 1.025 66 V CA -0.868 61.384 62.300 -0.081 0.000 0.859 66 V CB 1.379 33.167 31.823 -0.059 0.000 0.988 66 V HN 0.450 nan 8.190 nan 0.000 0.431 67 R N 2.281 122.741 120.500 -0.066 0.000 2.803 67 R HA 0.767 5.107 4.340 0.001 0.000 0.276 67 R C -1.211 174.929 176.300 -0.267 0.000 0.978 67 R CA -0.511 55.414 56.100 -0.290 0.000 0.939 67 R CB 2.168 32.052 30.300 -0.694 0.000 1.179 67 R HN 0.721 nan 8.270 nan 0.000 0.472 68 C N 2.524 121.621 119.300 -0.337 0.000 2.455 68 C HA 0.689 5.150 4.460 0.001 0.000 0.320 68 C C -1.169 173.681 174.990 -0.233 0.000 1.226 68 C CA -0.459 58.482 59.018 -0.129 0.000 1.569 68 C CB 0.633 28.321 27.740 -0.087 0.000 2.200 68 C HN 0.821 nan 8.230 nan 0.000 0.491 69 W N 3.631 125.030 121.300 0.165 0.000 2.819 69 W HA 0.392 5.052 4.660 0.001 0.000 0.337 69 W C -0.282 176.360 176.519 0.205 0.000 1.077 69 W CA -0.439 56.994 57.345 0.147 0.000 1.226 69 W CB 1.479 30.978 29.460 0.064 0.000 1.419 69 W HN 0.718 nan 8.180 nan 0.000 0.502 70 E N 1.498 121.916 120.200 0.363 0.000 2.289 70 E HA 0.341 4.692 4.350 0.001 0.000 0.278 70 E C -1.092 175.534 176.600 0.042 0.000 1.032 70 E CA -0.169 56.234 56.400 0.005 0.000 0.854 70 E CB 1.314 30.983 29.700 -0.052 0.000 1.046 70 E HN 0.146 nan 8.360 nan 0.000 0.409 71 V N 5.627 125.527 119.914 -0.025 0.000 2.347 71 V HA 0.174 4.294 4.120 0.001 0.000 0.280 71 V C 0.000 176.112 176.094 0.031 0.000 1.021 71 V CA -0.659 61.688 62.300 0.079 0.000 0.847 71 V CB 1.258 33.232 31.823 0.251 0.000 0.990 71 V HN 0.734 nan 8.190 nan 0.000 0.444 72 Q N 2.210 122.045 119.800 0.058 0.000 2.221 72 Q HA 0.261 4.601 4.340 0.001 0.000 0.242 72 Q C 0.228 176.326 176.000 0.163 0.000 0.940 72 Q CA -0.832 55.011 55.803 0.066 0.000 0.896 72 Q CB 1.419 30.189 28.738 0.053 0.000 1.226 72 Q HN 0.619 nan 8.270 nan 0.000 0.463 73 D N 0.636 121.113 120.400 0.127 0.000 2.190 73 D HA -0.173 4.468 4.640 0.001 0.000 0.200 73 D C 1.830 178.293 176.300 0.271 0.000 0.992 73 D CA 1.913 56.001 54.000 0.147 0.000 0.854 73 D CB -0.156 40.682 40.800 0.062 0.000 0.936 73 D HN 0.572 nan 8.370 nan 0.000 0.462 74 S N -0.991 114.843 115.700 0.224 0.000 2.481 74 S HA 0.112 4.582 4.470 0.001 0.000 0.231 74 S C 1.849 176.600 174.600 0.252 0.000 0.996 74 S CA 1.086 59.420 58.200 0.223 0.000 0.942 74 S CB 0.128 63.398 63.200 0.117 0.000 0.768 74 S HN 0.392 nan 8.310 nan 0.000 0.520 75 G N 0.109 109.018 108.800 0.181 0.000 2.179 75 G HA2 -0.242 3.718 3.960 0.001 0.000 0.220 75 G HA3 -0.242 3.718 3.960 0.001 0.000 0.220 75 G C -0.131 174.648 174.900 -0.202 0.000 0.990 75 G CA 0.059 44.933 45.100 -0.377 0.000 0.646 75 G HN 0.626 nan 8.290 nan 0.000 0.517 76 Q N 1.683 121.459 119.800 -0.040 0.000 2.311 76 Q HA 0.454 4.795 4.340 0.001 0.000 0.272 76 Q C 0.281 176.283 176.000 0.002 0.000 1.012 76 Q CA 1.068 56.863 55.803 -0.013 0.000 0.891 76 Q CB 0.404 29.157 28.738 0.026 0.000 1.201 76 Q HN 0.541 nan 8.270 nan 0.000 0.391 77 T N 1.299 115.861 114.554 0.013 0.000 2.824 77 T HA 0.642 4.992 4.350 0.001 0.000 0.282 77 T C -0.417 174.379 174.700 0.160 0.000 0.993 77 T CA -0.767 61.373 62.100 0.067 0.000 0.967 77 T CB 0.761 69.611 68.868 -0.031 0.000 0.960 77 T HN 0.387 nan 8.240 nan 0.000 0.441 78 I N 4.445 125.145 120.570 0.218 0.000 2.382 78 I HA 0.383 4.554 4.170 0.001 0.000 0.285 78 I C -2.477 173.793 176.117 0.255 0.000 1.007 78 I CA -2.487 58.934 61.300 0.203 0.000 1.142 78 I CB 1.846 39.929 38.000 0.138 0.000 1.289 78 I HN 0.412 nan 8.210 nan 0.000 0.453 79 P HA 0.074 nan 4.420 nan 0.000 0.265 79 P C 0.060 177.345 177.300 -0.026 0.000 1.193 79 P CA -0.057 63.016 63.100 -0.045 0.000 0.765 79 P CB 0.918 32.584 31.700 -0.056 0.000 0.823 80 K N 1.384 121.735 120.400 -0.082 0.000 2.380 80 K HA 0.526 4.847 4.320 0.001 0.000 0.200 80 K C 0.400 176.992 176.600 -0.012 0.000 1.201 80 K CA 0.415 56.706 56.287 0.007 0.000 0.916 80 K CB 0.718 33.272 32.500 0.090 0.000 1.187 80 K HN 0.544 nan 8.250 nan 0.000 0.498 81 A N 1.113 123.915 122.820 -0.030 0.000 2.569 81 A HA 0.466 4.787 4.320 0.001 0.000 0.292 81 A C -1.827 175.817 177.584 0.100 0.000 1.032 81 A CA -0.723 51.357 52.037 0.071 0.000 0.669 81 A CB 0.951 20.082 19.000 0.218 0.000 1.290 81 A HN 0.093 nan 8.150 nan 0.000 0.422 82 Q N 0.343 120.127 119.800 -0.026 0.000 2.456 82 Q HA 0.829 5.170 4.340 0.001 0.000 0.284 82 Q C -1.504 174.125 176.000 -0.617 0.000 1.061 82 Q CA -0.997 54.650 55.803 -0.261 0.000 0.799 82 Q CB 1.797 30.390 28.738 -0.242 0.000 1.445 82 Q HN 0.585 nan 8.270 nan 0.000 0.411 83 Q N 0.901 120.178 119.800 -0.872 0.000 2.495 83 Q HA 0.576 4.917 4.340 0.001 0.000 0.287 83 Q C -1.097 174.581 176.000 -0.536 0.000 1.078 83 Q CA -0.837 54.446 55.803 -0.866 0.000 0.793 83 Q CB 2.535 30.440 28.738 -1.387 0.000 1.459 83 Q HN 0.709 nan 8.270 nan 0.000 0.422 84 M N 1.050 120.381 119.600 -0.448 0.000 2.393 84 M HA 0.419 4.899 4.480 0.001 0.000 0.316 84 M C -0.366 175.730 176.300 -0.340 0.000 1.087 84 M CA -0.436 54.682 55.300 -0.303 0.000 0.937 84 M CB 1.541 34.004 32.600 -0.227 0.000 1.668 84 M HN 0.522 nan 8.290 nan 0.000 0.438 85 H N 0.643 119.577 119.070 -0.226 0.000 2.669 85 H HA 0.429 4.986 4.556 0.001 0.000 0.318 85 H C 0.583 175.809 175.328 -0.171 0.000 1.429 85 H CA 0.257 56.185 56.048 -0.201 0.000 1.460 85 H CB 1.537 31.171 29.762 -0.212 0.000 1.784 85 H HN 0.684 nan 8.280 nan 0.000 0.750 86 T N -2.079 112.476 114.554 0.002 0.000 3.092 86 T HA 0.348 4.699 4.350 0.001 0.000 0.258 86 T C 0.675 175.333 174.700 -0.069 0.000 1.031 86 T CA -0.019 62.052 62.100 -0.048 0.000 0.925 86 T CB 0.077 68.913 68.868 -0.052 0.000 1.036 86 T HN 0.612 nan 8.240 nan 0.000 0.544 87 G N 1.129 109.867 108.800 -0.103 0.000 2.695 87 G HA2 0.618 4.578 3.960 0.001 0.000 0.290 87 G HA3 0.618 4.578 3.960 0.001 0.000 0.290 87 G C -3.355 171.360 174.900 -0.308 0.000 1.410 87 G CA -1.870 43.116 45.100 -0.190 0.000 0.844 87 G HN -0.145 nan 8.290 nan 0.000 0.478 88 P HA 0.108 nan 4.420 nan 0.000 0.261 88 P C 0.030 176.903 177.300 -0.711 0.000 1.165 88 P CA -0.060 62.589 63.100 -0.752 0.000 0.759 88 P CB 0.665 31.460 31.700 -1.509 0.000 0.772 89 V N 5.746 125.320 119.914 -0.568 0.000 2.408 89 V HA 0.076 4.196 4.120 0.001 0.000 0.267 89 V C 1.552 177.394 176.094 -0.419 0.000 1.047 89 V CA 0.278 62.306 62.300 -0.454 0.000 0.937 89 V CB 0.472 32.140 31.823 -0.258 0.000 0.999 89 V HN 0.501 nan 8.190 nan 0.000 0.472 90 L N 2.339 123.323 121.223 -0.397 0.000 2.463 90 L HA 0.416 4.757 4.340 0.001 0.000 0.219 90 L C 0.391 177.175 176.870 -0.143 0.000 1.088 90 L CA 0.581 55.258 54.840 -0.270 0.000 0.849 90 L CB 0.269 42.131 42.059 -0.328 0.000 1.012 90 L HN 0.612 nan 8.230 nan 0.000 0.468 91 D N -0.692 119.615 120.400 -0.155 0.000 2.654 91 D HA 0.493 5.134 4.640 0.001 0.000 0.231 91 D C -1.332 174.924 176.300 -0.073 0.000 1.239 91 D CA -0.191 53.756 54.000 -0.088 0.000 0.790 91 D CB 2.799 43.538 40.800 -0.102 0.000 1.480 91 D HN -0.180 nan 8.370 nan 0.000 0.442 92 V N -0.668 119.231 119.914 -0.025 0.000 3.049 92 V HA 0.926 5.047 4.120 0.001 0.000 0.309 92 V C -0.136 175.985 176.094 0.045 0.000 1.148 92 V CA -0.830 61.471 62.300 0.002 0.000 0.990 92 V CB 0.999 32.823 31.823 0.002 0.000 1.039 92 V HN 1.049 nan 8.190 nan 0.000 0.430 93 C N 0.338 119.686 119.300 0.079 0.000 3.336 93 C HA 0.939 5.400 4.460 0.001 0.000 0.339 93 C C -1.713 173.380 174.990 0.172 0.000 1.468 93 C CA -0.589 58.556 59.018 0.212 0.000 1.287 93 C CB 0.924 28.803 27.740 0.232 0.000 1.682 93 C HN 1.067 nan 8.230 nan 0.000 0.451 94 W N 1.510 122.914 121.300 0.174 0.000 2.639 94 W HA 0.666 5.326 4.660 0.001 0.000 0.347 94 W C 0.569 177.128 176.519 0.067 0.000 1.067 94 W CA 0.026 57.406 57.345 0.057 0.000 1.218 94 W CB 1.608 31.080 29.460 0.020 0.000 1.393 94 W HN 0.983 nan 8.180 nan 0.000 0.557 95 S N 0.319 116.048 115.700 0.047 0.000 2.593 95 S HA -0.009 4.462 4.470 0.001 0.000 0.269 95 S C 1.044 175.566 174.600 -0.130 0.000 1.334 95 S CA 0.034 57.943 58.200 -0.484 0.000 1.015 95 S CB 0.956 63.727 63.200 -0.714 0.000 0.912 95 S HN 0.658 nan 8.310 nan 0.000 0.541 96 D N 1.035 121.401 120.400 -0.057 0.000 2.182 96 D HA -0.230 4.411 4.640 0.001 0.000 0.201 96 D C 0.887 177.227 176.300 0.066 0.000 0.986 96 D CA 1.535 55.636 54.000 0.169 0.000 0.847 96 D CB -0.489 40.509 40.800 0.330 0.000 0.942 96 D HN 0.768 nan 8.370 nan 0.000 0.467 97 D N -0.404 120.004 120.400 0.015 0.000 2.340 97 D HA 0.082 4.723 4.640 0.001 0.000 0.220 97 D C 1.723 178.007 176.300 -0.026 0.000 1.039 97 D CA 0.836 54.833 54.000 -0.006 0.000 0.866 97 D CB -0.228 40.570 40.800 -0.004 0.000 0.913 97 D HN 0.397 nan 8.370 nan 0.000 0.523 98 G N 0.299 109.102 108.800 0.005 0.000 2.162 98 G HA2 -0.367 3.594 3.960 0.001 0.000 0.260 98 G HA3 -0.367 3.594 3.960 0.001 0.000 0.260 98 G C 1.140 176.086 174.900 0.077 0.000 0.976 98 G CA 0.993 46.141 45.100 0.079 0.000 0.655 98 G HN 0.678 nan 8.290 nan 0.000 0.533 99 S N -1.311 114.354 115.700 -0.057 0.000 2.446 99 S HA 0.331 4.801 4.470 0.001 0.000 0.225 99 S C 0.936 175.368 174.600 -0.279 0.000 1.016 99 S CA 0.932 59.043 58.200 -0.148 0.000 0.943 99 S CB 0.475 63.591 63.200 -0.140 0.000 0.786 99 S HN 0.362 nan 8.310 nan 0.000 0.508 100 K N 1.197 121.382 120.400 -0.359 0.000 2.318 100 K HA 0.660 4.981 4.320 0.001 0.000 0.249 100 K C -1.416 174.687 176.600 -0.829 0.000 0.942 100 K CA -0.646 55.250 56.287 -0.652 0.000 0.808 100 K CB 2.310 34.302 32.500 -0.847 0.000 1.189 100 K HN 0.041 nan 8.250 nan 0.000 0.428 101 V N 3.397 122.723 119.914 -0.979 0.000 2.459 101 V HA 0.470 4.590 4.120 0.001 0.000 0.295 101 V C -0.731 174.931 176.094 -0.720 0.000 1.029 101 V CA -0.786 60.951 62.300 -0.939 0.000 0.874 101 V CB 0.826 32.055 31.823 -0.989 0.000 0.985 101 V HN 0.516 nan 8.190 nan 0.000 0.438 102 F N 2.418 122.254 119.950 -0.189 0.000 2.450 102 F HA 0.719 5.246 4.527 0.001 0.000 0.332 102 F C 0.601 176.368 175.800 -0.056 0.000 1.093 102 F CA -0.483 57.473 58.000 -0.073 0.000 1.003 102 F CB 2.234 41.226 39.000 -0.014 0.000 1.151 102 F HN 0.521 nan 8.300 nan 0.000 0.474 103 T N -0.068 114.580 114.554 0.157 0.000 2.912 103 T HA 0.868 5.219 4.350 0.001 0.000 0.299 103 T C -1.059 173.651 174.700 0.016 0.000 1.052 103 T CA -0.912 61.242 62.100 0.090 0.000 0.996 103 T CB 1.723 70.699 68.868 0.179 0.000 1.070 103 T HN 0.866 nan 8.240 nan 0.000 0.465 104 A N 1.678 124.397 122.820 -0.168 0.000 2.356 104 A HA 0.887 5.208 4.320 0.001 0.000 0.310 104 A C -0.146 177.136 177.584 -0.503 0.000 1.075 104 A CA -0.793 51.072 52.037 -0.286 0.000 0.746 104 A CB 1.765 20.637 19.000 -0.212 0.000 1.221 104 A HN 1.185 nan 8.150 nan 0.000 0.443 105 S N 0.516 115.855 115.700 -0.602 0.000 2.595 105 S HA 0.374 4.845 4.470 0.001 0.000 0.281 105 S C 0.720 175.006 174.600 -0.523 0.000 1.117 105 S CA -0.247 57.538 58.200 -0.691 0.000 0.873 105 S CB 1.131 63.702 63.200 -1.048 0.000 1.108 105 S HN 0.906 nan 8.310 nan 0.000 0.477 106 C N 2.063 121.046 119.300 -0.528 0.000 2.422 106 C HA -0.017 4.444 4.460 0.001 0.000 0.286 106 C C 1.845 176.671 174.990 -0.274 0.000 1.412 106 C CA 1.130 59.888 59.018 -0.435 0.000 1.786 106 C CB -1.639 25.842 27.740 -0.431 0.000 1.835 106 C HN 0.960 nan 8.230 nan 0.000 0.533 107 D N 0.170 120.423 120.400 -0.245 0.000 2.352 107 D HA -0.078 4.563 4.640 0.001 0.000 0.232 107 D C 0.853 177.090 176.300 -0.105 0.000 1.055 107 D CA 0.400 54.319 54.000 -0.135 0.000 0.891 107 D CB -0.609 40.144 40.800 -0.078 0.000 0.897 107 D HN 0.524 nan 8.370 nan 0.000 0.529 108 K N -1.736 118.577 120.400 -0.145 0.000 3.467 108 K HA -0.152 4.168 4.320 0.001 0.000 0.309 108 K C 0.068 176.640 176.600 -0.047 0.000 1.350 108 K CA 1.234 57.472 56.287 -0.082 0.000 0.934 108 K CB -2.574 29.914 32.500 -0.022 0.000 1.312 108 K HN 0.570 nan 8.250 nan 0.000 0.461 109 T N -2.519 111.983 114.554 -0.086 0.000 2.926 109 T HA 0.850 5.201 4.350 0.001 0.000 0.289 109 T C -0.693 173.963 174.700 -0.074 0.000 1.054 109 T CA -0.358 61.700 62.100 -0.069 0.000 1.015 109 T CB 2.577 71.424 68.868 -0.034 0.000 1.167 109 T HN 0.348 nan 8.240 nan 0.000 0.526 110 A N 1.032 123.802 122.820 -0.084 0.000 2.449 110 A HA 0.790 5.111 4.320 0.001 0.000 0.302 110 A C -0.710 176.872 177.584 -0.004 0.000 1.048 110 A CA -1.007 51.013 52.037 -0.028 0.000 0.708 110 A CB 1.380 20.318 19.000 -0.103 0.000 1.274 110 A HN 0.848 nan 8.150 nan 0.000 0.410 111 K N 0.907 121.357 120.400 0.083 0.000 2.281 111 K HA 0.625 4.946 4.320 0.001 0.000 0.242 111 K C -0.862 175.778 176.600 0.065 0.000 0.971 111 K CA -0.549 55.733 56.287 -0.009 0.000 0.834 111 K CB 2.386 34.783 32.500 -0.172 0.000 1.181 111 K HN 0.763 nan 8.250 nan 0.000 0.435 112 M N 2.521 122.130 119.600 0.016 0.000 2.167 112 M HA 0.277 4.758 4.480 0.001 0.000 0.333 112 M C -1.851 174.380 176.300 -0.117 0.000 1.030 112 M CA -0.637 54.602 55.300 -0.100 0.000 0.963 112 M CB 0.811 33.424 32.600 0.021 0.000 1.589 112 M HN 0.678 nan 8.290 nan 0.000 0.431 113 W N 6.317 127.349 121.300 -0.447 0.000 2.318 113 W HA 0.384 5.044 4.660 0.001 0.000 0.315 113 W C -1.392 174.887 176.519 -0.400 0.000 1.033 113 W CA -1.028 56.091 57.345 -0.378 0.000 1.275 113 W CB 0.830 30.066 29.460 -0.374 0.000 1.250 113 W HN 0.664 nan 8.180 nan 0.000 0.421 114 D N 5.229 125.591 120.400 -0.063 0.000 2.365 114 D HA 0.093 4.733 4.640 0.001 0.000 0.237 114 D C 1.272 177.388 176.300 -0.307 0.000 1.190 114 D CA 0.054 53.919 54.000 -0.225 0.000 0.867 114 D CB 0.923 41.651 40.800 -0.120 0.000 1.050 114 D HN 0.482 nan 8.370 nan 0.000 0.491 115 L N 2.773 123.662 121.223 -0.555 0.000 2.046 115 L HA -0.152 4.189 4.340 0.001 0.000 0.208 115 L C 2.469 179.160 176.870 -0.298 0.000 1.077 115 L CA 1.215 55.686 54.840 -0.616 0.000 0.747 115 L CB -0.645 40.994 42.059 -0.699 0.000 0.896 115 L HN 0.527 nan 8.230 nan 0.000 0.432 116 S N -0.721 114.843 115.700 -0.226 0.000 2.383 116 S HA -0.159 4.311 4.470 0.001 0.000 0.227 116 S C 1.994 176.540 174.600 -0.090 0.000 1.026 116 S CA 1.210 59.322 58.200 -0.145 0.000 0.981 116 S CB -0.424 62.702 63.200 -0.123 0.000 0.818 116 S HN 0.504 nan 8.310 nan 0.000 0.472 117 S N 0.914 116.568 115.700 -0.076 0.000 2.575 117 S HA 0.163 4.633 4.470 0.001 0.000 0.215 117 S C 0.744 175.343 174.600 -0.001 0.000 0.966 117 S CA 0.433 58.611 58.200 -0.038 0.000 0.911 117 S CB -0.850 62.327 63.200 -0.037 0.000 0.780 117 S HN 0.542 nan 8.310 nan 0.000 0.514 118 N N 1.561 120.283 118.700 0.036 0.000 2.721 118 N HA -0.162 4.578 4.740 0.001 0.000 0.249 118 N C -1.027 174.568 175.510 0.143 0.000 1.072 118 N CA 0.751 53.915 53.050 0.189 0.000 0.710 118 N CB -1.289 37.272 38.487 0.123 0.000 0.993 118 N HN 0.634 nan 8.380 nan 0.000 0.547 119 Q N -0.275 119.594 119.800 0.114 0.000 2.282 119 Q HA 0.701 5.041 4.340 0.001 0.000 0.260 119 Q C -0.500 175.523 176.000 0.038 0.000 0.964 119 Q CA -0.336 55.478 55.803 0.020 0.000 0.880 119 Q CB 1.909 30.639 28.738 -0.015 0.000 1.286 119 Q HN 0.393 nan 8.270 nan 0.000 0.445 120 A N 3.467 126.222 122.820 -0.108 0.000 2.355 120 A HA 0.823 5.144 4.320 0.001 0.000 0.317 120 A C -0.426 177.068 177.584 -0.150 0.000 1.094 120 A CA -0.707 51.238 52.037 -0.153 0.000 0.764 120 A CB 0.724 19.509 19.000 -0.357 0.000 1.230 120 A HN 0.730 nan 8.150 nan 0.000 0.448 121 I N -0.838 119.663 120.570 -0.115 0.000 2.689 121 I HA 0.580 4.750 4.170 0.001 0.000 0.299 121 I C -0.258 175.796 176.117 -0.105 0.000 1.059 121 I CA -0.903 60.335 61.300 -0.103 0.000 1.055 121 I CB 1.954 39.916 38.000 -0.063 0.000 1.243 121 I HN 0.746 nan 8.210 nan 0.000 0.425 122 Q N 3.685 123.415 119.800 -0.117 0.000 2.337 122 Q HA 0.282 4.622 4.340 0.001 0.000 0.270 122 Q C 0.057 175.979 176.000 -0.129 0.000 1.002 122 Q CA 0.165 55.891 55.803 -0.129 0.000 0.888 122 Q CB 1.065 29.723 28.738 -0.133 0.000 1.222 122 Q HN 0.856 nan 8.270 nan 0.000 0.400 123 I N 0.276 120.734 120.570 -0.187 0.000 4.327 123 I HA 0.608 4.779 4.170 0.001 0.000 0.331 123 I C -0.131 175.571 176.117 -0.692 0.000 1.348 123 I CA -0.407 60.752 61.300 -0.235 0.000 1.152 123 I CB 1.080 39.046 38.000 -0.057 0.000 1.151 123 I HN 0.399 nan 8.210 nan 0.000 0.410 124 A N 0.850 123.150 122.820 -0.866 0.000 2.549 124 A HA 0.850 5.170 4.320 0.001 0.000 0.297 124 A C -1.434 175.694 177.584 -0.760 0.000 1.061 124 A CA -0.404 50.666 52.037 -1.612 0.000 0.690 124 A CB 1.730 19.835 19.000 -1.493 0.000 1.287 124 A HN 0.226 nan 8.150 nan 0.000 0.402 125 Q N 1.025 120.462 119.800 -0.606 0.000 2.305 125 Q HA 0.589 4.929 4.340 0.001 0.000 0.271 125 Q C -1.546 174.404 176.000 -0.082 0.000 1.046 125 Q CA -0.352 55.347 55.803 -0.172 0.000 0.798 125 Q CB 1.327 30.010 28.738 -0.091 0.000 1.286 125 Q HN 0.874 nan 8.270 nan 0.000 0.435 126 H N 1.624 120.716 119.070 0.036 0.000 2.864 126 H HA 0.330 4.887 4.556 0.001 0.000 0.354 126 H C -0.583 174.766 175.328 0.036 0.000 1.208 126 H CA -0.650 55.438 56.048 0.067 0.000 1.191 126 H CB 2.010 31.792 29.762 0.034 0.000 1.889 126 H HN 0.710 nan 8.280 nan 0.000 0.574 127 D N -0.024 120.493 120.400 0.195 0.000 2.339 127 D HA 0.325 4.965 4.640 0.001 0.000 0.217 127 D C 0.210 176.576 176.300 0.110 0.000 1.050 127 D CA 0.325 54.396 54.000 0.119 0.000 0.856 127 D CB 0.743 41.606 40.800 0.105 0.000 0.922 127 D HN 0.504 nan 8.370 nan 0.000 0.518 128 A N 0.152 123.041 122.820 0.114 0.000 2.557 128 A HA 0.591 4.911 4.320 0.001 0.000 0.292 128 A C -2.804 174.750 177.584 -0.050 0.000 1.139 128 A CA -1.342 50.744 52.037 0.082 0.000 0.665 128 A CB 0.620 19.725 19.000 0.175 0.000 1.285 128 A HN -0.241 nan 8.150 nan 0.000 0.433 129 P HA 0.219 nan 4.420 nan 0.000 0.265 129 P C -0.625 176.288 177.300 -0.645 0.000 1.187 129 P CA 0.193 62.995 63.100 -0.497 0.000 0.766 129 P CB 0.366 31.525 31.700 -0.900 0.000 0.820 130 V N 4.492 124.077 119.914 -0.548 0.000 2.385 130 V HA 0.122 4.243 4.120 0.001 0.000 0.269 130 V C 1.420 177.196 176.094 -0.531 0.000 1.043 130 V CA 0.224 62.215 62.300 -0.515 0.000 0.906 130 V CB 0.942 32.569 31.823 -0.327 0.000 0.995 130 V HN 0.491 nan 8.190 nan 0.000 0.467 131 K N 3.625 123.728 120.400 -0.495 0.000 2.284 131 K HA 0.079 4.400 4.320 0.001 0.000 0.198 131 K C 0.832 177.344 176.600 -0.147 0.000 1.048 131 K CA 0.983 57.069 56.287 -0.337 0.000 0.987 131 K CB 0.297 32.697 32.500 -0.168 0.000 0.800 131 K HN 0.867 nan 8.250 nan 0.000 0.486 132 T N -2.233 112.251 114.554 -0.117 0.000 2.903 132 T HA 0.626 4.977 4.350 0.001 0.000 0.299 132 T C -0.834 173.823 174.700 -0.072 0.000 1.093 132 T CA -0.813 61.264 62.100 -0.039 0.000 1.002 132 T CB 1.398 70.335 68.868 0.114 0.000 1.127 132 T HN 0.046 nan 8.240 nan 0.000 0.488 133 I N 1.318 121.788 120.570 -0.166 0.000 2.644 133 I HA 0.608 4.778 4.170 0.001 0.000 0.291 133 I C -1.851 174.041 176.117 -0.376 0.000 1.180 133 I CA -0.617 60.599 61.300 -0.140 0.000 1.040 133 I CB 1.803 39.763 38.000 -0.066 0.000 1.255 133 I HN 0.970 nan 8.210 nan 0.000 0.422 134 H N 5.469 124.574 119.070 0.058 0.000 2.961 134 H HA 0.324 4.880 4.556 0.001 0.000 0.371 134 H C -1.739 173.667 175.328 0.130 0.000 1.190 134 H CA -0.438 55.683 56.048 0.121 0.000 1.138 134 H CB 2.150 31.969 29.762 0.095 0.000 1.816 134 H HN 0.573 nan 8.280 nan 0.000 0.551 135 W N 5.163 126.532 121.300 0.116 0.000 2.391 135 W HA 0.519 5.179 4.660 0.001 0.000 0.311 135 W C -1.537 175.044 176.519 0.104 0.000 1.087 135 W CA -0.725 56.636 57.345 0.027 0.000 1.209 135 W CB 0.677 30.197 29.460 0.099 0.000 1.273 135 W HN 0.486 nan 8.180 nan 0.000 0.482 136 I N 6.685 126.929 120.570 -0.542 0.000 2.330 136 I HA 0.199 4.369 4.170 0.001 0.000 0.289 136 I C 0.183 175.798 176.117 -0.838 0.000 1.001 136 I CA -0.516 60.520 61.300 -0.439 0.000 1.193 136 I CB 1.574 39.501 38.000 -0.122 0.000 1.345 136 I HN 0.223 nan 8.210 nan 0.000 0.461 137 K N 6.427 126.476 120.400 -0.586 0.000 2.354 137 K HA 0.682 5.002 4.320 0.001 0.000 0.257 137 K C -0.730 175.428 176.600 -0.738 0.000 1.062 137 K CA -0.296 55.671 56.287 -0.533 0.000 0.971 137 K CB 1.153 33.561 32.500 -0.153 0.000 1.305 137 K HN 0.766 nan 8.250 nan 0.000 0.449 138 A N 4.405 126.618 122.820 -1.013 0.000 2.281 138 A HA 0.512 4.832 4.320 0.001 0.000 0.329 138 A C -1.971 175.180 177.584 -0.721 0.000 1.122 138 A CA -1.512 49.737 52.037 -1.313 0.000 0.850 138 A CB 0.467 18.547 19.000 -1.532 0.000 1.207 138 A HN 0.524 nan 8.150 nan 0.000 0.495 139 P HA -0.116 nan 4.420 nan 0.000 0.218 139 P C 0.756 177.966 177.300 -0.150 0.000 1.149 139 P CA 1.592 64.555 63.100 -0.229 0.000 0.817 139 P CB 0.119 31.753 31.700 -0.109 0.000 0.785 140 N N -1.775 116.848 118.700 -0.129 0.000 2.250 140 N HA -0.012 4.729 4.740 0.001 0.000 0.190 140 N C 0.115 175.680 175.510 0.091 0.000 1.116 140 N CA -0.023 53.033 53.050 0.011 0.000 0.881 140 N CB 0.034 38.576 38.487 0.092 0.000 1.006 140 N HN 0.264 nan 8.380 nan 0.000 0.491 141 Y N -2.067 118.168 120.300 -0.109 0.000 2.638 141 Y HA 0.764 5.315 4.550 0.001 0.000 0.335 141 Y C -1.328 174.463 175.900 -0.181 0.000 1.155 141 Y CA -1.263 56.770 58.100 -0.111 0.000 1.046 141 Y CB 0.960 39.360 38.460 -0.100 0.000 1.303 141 Y HN -0.164 nan 8.280 nan 0.000 0.460 142 S N 1.304 116.972 115.700 -0.052 0.000 2.571 142 S HA 0.804 5.274 4.470 0.001 0.000 0.284 142 S C -1.057 173.385 174.600 -0.263 0.000 1.128 142 S CA -0.371 57.622 58.200 -0.345 0.000 0.970 142 S CB 1.023 64.089 63.200 -0.224 0.000 1.039 142 S HN 1.318 nan 8.310 nan 0.000 0.485 143 C N 0.342 119.321 119.300 -0.534 0.000 3.320 143 C HA 0.876 5.336 4.460 0.001 0.000 0.335 143 C C -1.042 173.756 174.990 -0.320 0.000 1.430 143 C CA -0.771 58.112 59.018 -0.224 0.000 1.271 143 C CB 0.122 27.922 27.740 0.100 0.000 1.609 143 C HN 0.553 nan 8.230 nan 0.000 0.457 144 V N 2.044 121.965 119.914 0.012 0.000 2.427 144 V HA 0.535 4.655 4.120 0.001 0.000 0.286 144 V C 0.108 176.240 176.094 0.064 0.000 1.034 144 V CA -0.153 62.158 62.300 0.019 0.000 0.893 144 V CB 1.517 33.315 31.823 -0.041 0.000 0.982 144 V HN 0.964 nan 8.190 nan 0.000 0.452 145 M N 5.539 125.116 119.600 -0.037 0.000 2.205 145 M HA 0.558 5.039 4.480 0.001 0.000 0.344 145 M C -0.245 175.998 176.300 -0.096 0.000 1.085 145 M CA -0.203 54.918 55.300 -0.299 0.000 1.001 145 M CB 1.497 33.854 32.600 -0.406 0.000 1.626 145 M HN 0.838 nan 8.290 nan 0.000 0.442 146 T N 1.637 116.163 114.554 -0.046 0.000 2.856 146 T HA 0.863 5.213 4.350 0.001 0.000 0.283 146 T C -0.128 174.566 174.700 -0.009 0.000 1.008 146 T CA -0.774 61.380 62.100 0.089 0.000 0.997 146 T CB 1.739 70.832 68.868 0.375 0.000 0.992 146 T HN 0.795 nan 8.240 nan 0.000 0.454 147 G N 0.331 109.074 108.800 -0.095 0.000 2.513 147 G HA2 0.595 4.555 3.960 0.001 0.000 0.317 147 G HA3 0.595 4.555 3.960 0.001 0.000 0.317 147 G C -1.034 173.705 174.900 -0.268 0.000 1.277 147 G CA -0.733 44.291 45.100 -0.127 0.000 0.955 147 G HN 0.914 nan 8.290 nan 0.000 0.484 148 S N 0.432 115.967 115.700 -0.276 0.000 2.632 148 S HA 0.509 4.979 4.470 0.001 0.000 0.289 148 S C -0.099 174.524 174.600 0.039 0.000 1.115 148 S CA -0.746 57.246 58.200 -0.346 0.000 0.889 148 S CB 0.901 63.657 63.200 -0.739 0.000 1.116 148 S HN 0.517 nan 8.310 nan 0.000 0.486 149 W N 1.818 123.089 121.300 -0.048 0.000 2.961 149 W HA 0.104 4.765 4.660 0.001 0.000 0.240 149 W C 1.182 177.715 176.519 0.024 0.000 1.305 149 W CA 0.460 57.820 57.345 0.024 0.000 1.465 149 W CB -1.061 28.427 29.460 0.047 0.000 1.135 149 W HN 0.843 nan 8.180 nan 0.000 0.688 150 D N -0.199 120.323 120.400 0.205 0.000 2.336 150 D HA -0.080 4.561 4.640 0.001 0.000 0.229 150 D C 0.586 176.974 176.300 0.145 0.000 1.061 150 D CA 0.213 54.316 54.000 0.172 0.000 0.875 150 D CB -0.498 40.414 40.800 0.187 0.000 0.904 150 D HN 0.084 nan 8.370 nan 0.000 0.525 151 K N -0.976 119.505 120.400 0.136 0.000 3.230 151 K HA -0.145 4.175 4.320 0.001 0.000 0.285 151 K C -0.305 176.358 176.600 0.105 0.000 1.196 151 K CA 1.114 57.463 56.287 0.102 0.000 0.838 151 K CB -2.592 29.953 32.500 0.075 0.000 1.262 151 K HN 0.591 nan 8.250 nan 0.000 0.492 152 T N -2.083 112.549 114.554 0.129 0.000 2.916 152 T HA 0.705 5.056 4.350 0.001 0.000 0.292 152 T C -0.846 173.935 174.700 0.134 0.000 1.055 152 T CA -1.158 61.029 62.100 0.145 0.000 1.009 152 T CB 2.228 71.210 68.868 0.189 0.000 1.118 152 T HN 0.075 nan 8.240 nan 0.000 0.497 153 L N 1.540 122.818 121.223 0.093 0.000 2.349 153 L HA 0.655 4.995 4.340 0.001 0.000 0.278 153 L C -0.557 176.289 176.870 -0.041 0.000 0.996 153 L CA -0.352 54.477 54.840 -0.018 0.000 0.825 153 L CB 1.287 43.301 42.059 -0.075 0.000 1.243 153 L HN 0.778 nan 8.230 nan 0.000 0.412 154 K N 4.220 124.519 120.400 -0.169 0.000 2.340 154 K HA 0.648 4.969 4.320 0.001 0.000 0.244 154 K C -1.572 174.569 176.600 -0.764 0.000 0.973 154 K CA -0.515 55.564 56.287 -0.346 0.000 0.828 154 K CB 2.224 34.475 32.500 -0.414 0.000 1.226 154 K HN 0.289 nan 8.250 nan 0.000 0.437 155 F N 0.823 120.355 119.950 -0.696 0.000 2.529 155 F HA 0.438 4.966 4.527 0.001 0.000 0.320 155 F C -1.089 174.333 175.800 -0.631 0.000 1.118 155 F CA -0.660 57.057 58.000 -0.472 0.000 0.915 155 F CB 1.342 40.167 39.000 -0.291 0.000 1.161 155 F HN 0.396 nan 8.300 nan 0.000 0.445 156 W N 2.396 123.743 121.300 0.078 0.000 2.883 156 W HA 0.300 4.961 4.660 0.001 0.000 0.335 156 W C 0.338 176.901 176.519 0.073 0.000 1.083 156 W CA -0.848 56.529 57.345 0.053 0.000 1.233 156 W CB 1.204 30.680 29.460 0.027 0.000 1.412 156 W HN 0.505 nan 8.180 nan 0.000 0.490 157 D N -0.169 120.411 120.400 0.300 0.000 2.340 157 D HA -0.084 4.556 4.640 0.001 0.000 0.220 157 D C 1.363 177.830 176.300 0.278 0.000 1.039 157 D CA 1.122 55.264 54.000 0.237 0.000 0.866 157 D CB -0.436 40.458 40.800 0.158 0.000 0.913 157 D HN 0.621 nan 8.370 nan 0.000 0.523 158 T N -2.948 111.788 114.554 0.303 0.000 6.412 158 T HA -0.317 4.033 4.350 0.001 0.000 0.279 158 T C 1.256 176.064 174.700 0.179 0.000 2.177 158 T CA 1.513 63.769 62.100 0.259 0.000 3.599 158 T CB -1.913 67.159 68.868 0.340 0.000 1.259 158 T HN 0.431 nan 8.240 nan 0.000 1.146 159 R N 1.197 121.797 120.500 0.168 0.000 2.140 159 R HA 0.360 4.701 4.340 0.001 0.000 0.200 159 R C 1.067 177.430 176.300 0.105 0.000 1.069 159 R CA 0.807 56.978 56.100 0.119 0.000 1.088 159 R CB 0.455 30.820 30.300 0.109 0.000 1.012 159 R HN 0.672 nan 8.270 nan 0.000 0.500 160 S N -0.241 115.537 115.700 0.131 0.000 2.608 160 S HA 0.161 4.631 4.470 0.001 0.000 0.291 160 S C 0.805 175.510 174.600 0.174 0.000 1.146 160 S CA -0.567 57.705 58.200 0.121 0.000 1.043 160 S CB 1.918 65.178 63.200 0.099 0.000 1.037 160 S HN 0.191 nan 8.310 nan 0.000 0.520 161 S N 0.752 116.536 115.700 0.140 0.000 2.562 161 S HA 0.054 4.525 4.470 0.001 0.000 0.221 161 S C 0.200 174.970 174.600 0.282 0.000 0.975 161 S CA -0.392 57.909 58.200 0.169 0.000 0.918 161 S CB -0.721 62.527 63.200 0.081 0.000 0.772 161 S HN 0.718 nan 8.310 nan 0.000 0.531 162 N N 4.189 123.012 118.700 0.206 0.000 2.422 162 N HA 0.318 5.059 4.740 0.001 0.000 0.264 162 N C -2.914 172.640 175.510 0.073 0.000 1.063 162 N CA -1.354 51.774 53.050 0.131 0.000 0.959 162 N CB 0.771 39.289 38.487 0.052 0.000 1.087 162 N HN 0.280 nan 8.380 nan 0.000 0.483 163 P HA 0.005 nan 4.420 nan 0.000 0.268 163 P C 1.041 178.143 177.300 -0.329 0.000 1.204 163 P CA -0.061 62.627 63.100 -0.685 0.000 0.768 163 P CB 0.613 31.708 31.700 -1.008 0.000 0.842 164 M N 1.535 120.973 119.600 -0.269 0.000 2.476 164 M HA 0.145 4.626 4.480 0.001 0.000 0.262 164 M C 0.640 176.821 176.300 -0.199 0.000 1.079 164 M CA 1.521 56.720 55.300 -0.169 0.000 1.104 164 M CB -0.088 32.444 32.600 -0.114 0.000 1.409 164 M HN 0.308 nan 8.290 nan 0.000 0.467 165 M N 0.672 120.144 119.600 -0.214 0.000 2.523 165 M HA 0.462 4.942 4.480 0.001 0.000 0.287 165 M C -2.253 173.992 176.300 -0.091 0.000 1.160 165 M CA -0.583 54.612 55.300 -0.176 0.000 0.902 165 M CB 2.566 34.984 32.600 -0.303 0.000 1.752 165 M HN -0.160 nan 8.290 nan 0.000 0.504 166 V N 4.819 124.692 119.914 -0.069 0.000 2.482 166 V HA 0.527 4.647 4.120 0.001 0.000 0.295 166 V C -0.856 175.256 176.094 0.031 0.000 1.026 166 V CA -0.562 61.724 62.300 -0.022 0.000 0.856 166 V CB 1.740 33.523 31.823 -0.067 0.000 1.001 166 V HN 0.742 nan 8.190 nan 0.000 0.424 167 L N 4.161 125.447 121.223 0.104 0.000 2.317 167 L HA 0.575 4.916 4.340 0.001 0.000 0.281 167 L C -0.124 176.810 176.870 0.108 0.000 1.024 167 L CA -0.700 54.207 54.840 0.111 0.000 0.810 167 L CB 1.917 44.077 42.059 0.168 0.000 1.240 167 L HN 0.513 nan 8.230 nan 0.000 0.427 168 Q N 3.560 123.418 119.800 0.097 0.000 2.267 168 Q HA 0.483 4.823 4.340 0.001 0.000 0.255 168 Q C -0.661 175.405 176.000 0.109 0.000 0.923 168 Q CA -0.245 55.610 55.803 0.088 0.000 0.925 168 Q CB 2.113 30.888 28.738 0.061 0.000 1.195 168 Q HN 0.491 nan 8.270 nan 0.000 0.417 169 L N 4.310 125.592 121.223 0.099 0.000 2.360 169 L HA 0.307 4.648 4.340 0.001 0.000 0.271 169 L C -1.043 175.860 176.870 0.056 0.000 1.057 169 L CA -1.773 53.126 54.840 0.098 0.000 0.803 169 L CB 0.920 43.035 42.059 0.093 0.000 1.207 169 L HN 0.420 nan 8.230 nan 0.000 0.445 170 P HA -0.054 nan 4.420 nan 0.000 0.222 170 P C 0.131 177.420 177.300 -0.017 0.000 1.147 170 P CA 1.257 64.360 63.100 0.005 0.000 0.790 170 P CB 0.673 32.369 31.700 -0.007 0.000 0.780 171 E N -1.369 118.815 120.200 -0.026 0.000 2.415 171 E HA 0.281 4.632 4.350 0.001 0.000 0.271 171 E C -0.560 176.006 176.600 -0.056 0.000 1.094 171 E CA -0.904 55.456 56.400 -0.068 0.000 0.881 171 E CB 1.269 30.882 29.700 -0.145 0.000 1.581 171 E HN -0.143 nan 8.360 nan 0.000 0.460 172 R N 0.229 120.670 120.500 -0.097 0.000 2.522 172 R HA 0.104 4.445 4.340 0.001 0.000 0.284 172 R C 0.277 176.596 176.300 0.032 0.000 1.032 172 R CA -0.012 56.102 56.100 0.022 0.000 1.049 172 R CB 0.118 30.425 30.300 0.011 0.000 0.956 172 R HN 0.290 nan 8.270 nan 0.000 0.422 173 C N 5.268 124.714 119.300 0.242 0.000 2.657 173 C HA 0.076 4.536 4.460 0.001 0.000 0.404 173 C C 0.898 176.219 174.990 0.552 0.000 1.369 173 C CA -0.290 58.885 59.018 0.261 0.000 1.665 173 C CB -0.843 26.998 27.740 0.169 0.000 2.453 173 C HN 0.734 nan 8.230 nan 0.000 0.599 174 Y N 3.622 124.050 120.300 0.212 0.000 2.522 174 Y HA 0.256 4.807 4.550 0.001 0.000 0.277 174 Y C 1.446 177.462 175.900 0.193 0.000 1.104 174 Y CA 0.140 58.377 58.100 0.229 0.000 1.260 174 Y CB -0.466 38.094 38.460 0.167 0.000 1.151 174 Y HN 0.925 nan 8.280 nan 0.000 0.539 175 C N -1.741 117.748 119.300 0.314 0.000 3.306 175 C HA 0.948 5.409 4.460 0.001 0.000 0.335 175 C C -0.678 174.412 174.990 0.167 0.000 1.382 175 C CA -1.053 58.099 59.018 0.222 0.000 1.254 175 C CB 1.288 29.151 27.740 0.204 0.000 1.555 175 C HN 0.387 nan 8.230 nan 0.000 0.463 176 A N 0.702 123.626 122.820 0.174 0.000 2.608 176 A HA 0.884 5.205 4.320 0.001 0.000 0.292 176 A C -2.040 175.583 177.584 0.065 0.000 1.066 176 A CA 0.061 52.155 52.037 0.096 0.000 0.676 176 A CB 1.729 20.785 19.000 0.094 0.000 1.277 176 A HN 1.211 nan 8.150 nan 0.000 0.413 177 D N -0.804 119.504 120.400 -0.152 0.000 2.602 177 D HA 0.647 5.288 4.640 0.001 0.000 0.236 177 D C -1.748 174.346 176.300 -0.344 0.000 1.209 177 D CA -0.035 53.827 54.000 -0.230 0.000 0.831 177 D CB 2.323 43.153 40.800 0.049 0.000 1.478 177 D HN 0.553 nan 8.370 nan 0.000 0.438 178 V N 2.872 122.606 119.914 -0.300 0.000 2.569 178 V HA 0.515 4.635 4.120 0.001 0.000 0.301 178 V C -0.458 175.653 176.094 0.028 0.000 1.044 178 V CA -0.553 61.671 62.300 -0.128 0.000 0.874 178 V CB 1.652 33.407 31.823 -0.114 0.000 1.002 178 V HN 0.482 nan 8.190 nan 0.000 0.424 179 I N 4.997 125.584 120.570 0.028 0.000 2.476 179 I HA 0.319 4.490 4.170 0.001 0.000 0.281 179 I C -0.585 175.560 176.117 0.047 0.000 1.040 179 I CA -0.777 60.561 61.300 0.065 0.000 1.094 179 I CB 1.469 39.494 38.000 0.042 0.000 1.219 179 I HN 0.627 nan 8.210 nan 0.000 0.450 180 Y N 9.763 130.053 120.300 -0.017 0.000 2.904 180 Y HA -0.004 4.547 4.550 0.001 0.000 0.336 180 Y C -1.317 174.556 175.900 -0.045 0.000 1.263 180 Y CA -0.479 57.596 58.100 -0.042 0.000 1.547 180 Y CB 0.694 39.111 38.460 -0.071 0.000 1.272 180 Y HN 0.411 nan 8.280 nan 0.000 0.596 181 P HA 0.074 nan 4.420 nan 0.000 0.249 181 P C -0.620 176.424 177.300 -0.427 0.000 1.544 181 P CA 0.344 62.770 63.100 -1.122 0.000 0.932 181 P CB -0.068 30.985 31.700 -1.079 0.000 1.524 182 M N 0.764 120.220 119.600 -0.239 0.000 2.456 182 M HA 0.677 5.158 4.480 0.001 0.000 0.324 182 M C -1.543 174.731 176.300 -0.043 0.000 1.124 182 M CA -0.719 54.498 55.300 -0.138 0.000 0.959 182 M CB 2.544 35.051 32.600 -0.154 0.000 1.692 182 M HN -0.107 nan 8.290 nan 0.000 0.444 183 A N 3.824 126.658 122.820 0.024 0.000 2.401 183 A HA 0.838 5.158 4.320 0.001 0.000 0.310 183 A C -1.677 175.952 177.584 0.075 0.000 1.075 183 A CA -0.633 51.425 52.037 0.034 0.000 0.746 183 A CB 1.932 20.972 19.000 0.066 0.000 1.277 183 A HN 0.631 nan 8.150 nan 0.000 0.425 184 V N 1.634 121.534 119.914 -0.023 0.000 2.638 184 V HA 0.594 4.714 4.120 0.001 0.000 0.306 184 V C -0.782 175.275 176.094 -0.061 0.000 1.052 184 V CA -0.449 61.786 62.300 -0.108 0.000 0.885 184 V CB 1.819 33.404 31.823 -0.397 0.000 0.999 184 V HN 0.746 nan 8.190 nan 0.000 0.424 185 V N 3.319 123.244 119.914 0.019 0.000 2.588 185 V HA 0.878 4.999 4.120 0.001 0.000 0.304 185 V C 0.076 176.188 176.094 0.031 0.000 1.042 185 V CA -0.564 61.775 62.300 0.065 0.000 0.877 185 V CB 1.899 33.830 31.823 0.180 0.000 0.996 185 V HN 1.006 nan 8.190 nan 0.000 0.425 186 A N 3.085 125.942 122.820 0.060 0.000 2.337 186 A HA 0.976 5.296 4.320 0.001 0.000 0.329 186 A C 0.053 177.717 177.584 0.133 0.000 1.146 186 A CA -0.172 51.940 52.037 0.125 0.000 0.800 186 A CB 1.658 20.747 19.000 0.148 0.000 1.220 186 A HN 1.035 nan 8.150 nan 0.000 0.472 187 T N -1.320 113.261 114.554 0.044 0.000 2.831 187 T HA 0.794 5.145 4.350 0.001 0.000 0.287 187 T C 0.333 174.724 174.700 -0.515 0.000 1.070 187 T CA -0.092 61.890 62.100 -0.197 0.000 1.010 187 T CB 1.012 69.804 68.868 -0.126 0.000 1.264 187 T HN 1.870 nan 8.240 nan 0.000 0.532 188 A N 0.110 122.361 122.820 -0.950 0.000 2.492 188 A HA 0.411 4.732 4.320 0.001 0.000 0.236 188 A C 0.741 178.100 177.584 -0.375 0.000 1.078 188 A CA 0.368 51.895 52.037 -0.850 0.000 0.773 188 A CB -1.104 17.490 19.000 -0.677 0.000 1.023 188 A HN 1.125 nan 8.150 nan 0.000 0.504 189 E N -0.459 119.587 120.200 -0.258 0.000 2.586 189 E HA -0.258 4.093 4.350 0.001 0.000 0.259 189 E C -0.142 176.322 176.600 -0.227 0.000 1.107 189 E CA 0.708 56.996 56.400 -0.187 0.000 0.754 189 E CB -1.311 28.308 29.700 -0.135 0.000 1.335 189 E HN 0.740 nan 8.360 nan 0.000 0.411 190 R N -3.093 117.179 120.500 -0.380 0.000 3.641 190 R HA -0.171 4.169 4.340 0.001 0.000 0.286 190 R C 0.598 176.772 176.300 -0.210 0.000 1.153 190 R CA 0.731 56.447 56.100 -0.641 0.000 0.775 190 R CB -2.208 27.809 30.300 -0.472 0.000 1.215 190 R HN 0.335 nan 8.270 nan 0.000 0.474 191 G N 0.483 109.215 108.800 -0.114 0.000 2.442 191 G HA2 0.442 4.403 3.960 0.001 0.000 0.249 191 G HA3 0.442 4.403 3.960 0.001 0.000 0.249 191 G C -0.627 174.337 174.900 0.106 0.000 1.263 191 G CA -0.360 44.738 45.100 -0.003 0.000 0.846 191 G HN 0.062 nan 8.290 nan 0.000 0.555 192 L N 2.195 123.457 121.223 0.065 0.000 2.580 192 L HA 0.614 4.955 4.340 0.001 0.000 0.266 192 L C -1.331 175.514 176.870 -0.042 0.000 0.955 192 L CA -0.538 54.313 54.840 0.018 0.000 0.886 192 L CB 1.733 43.810 42.059 0.030 0.000 1.263 192 L HN 0.414 nan 8.230 nan 0.000 0.406 193 I N 5.279 125.808 120.570 -0.068 0.000 2.533 193 I HA 0.571 4.742 4.170 0.001 0.000 0.290 193 I C -0.586 175.429 176.117 -0.170 0.000 1.056 193 I CA -0.632 60.582 61.300 -0.143 0.000 1.057 193 I CB 2.276 40.163 38.000 -0.188 0.000 1.240 193 I HN 0.174 nan 8.210 nan 0.000 0.423 194 V N 6.040 125.847 119.914 -0.177 0.000 2.472 194 V HA 0.433 4.554 4.120 0.001 0.000 0.290 194 V C -0.874 175.117 176.094 -0.172 0.000 1.037 194 V CA -0.648 61.619 62.300 -0.054 0.000 0.908 194 V CB 1.159 33.060 31.823 0.129 0.000 0.985 194 V HN 0.441 nan 8.190 nan 0.000 0.454 195 Y N 2.537 122.877 120.300 0.065 0.000 2.429 195 Y HA 0.601 5.151 4.550 0.001 0.000 0.342 195 Y C 0.230 176.134 175.900 0.006 0.000 1.004 195 Y CA -1.004 57.144 58.100 0.079 0.000 1.075 195 Y CB 1.814 40.319 38.460 0.076 0.000 1.214 195 Y HN 0.719 nan 8.280 nan 0.000 0.455 196 Q N 1.400 121.291 119.800 0.151 0.000 2.214 196 Q HA 0.608 4.949 4.340 0.001 0.000 0.251 196 Q C -1.245 174.785 176.000 0.050 0.000 0.936 196 Q CA -0.378 55.419 55.803 -0.009 0.000 0.894 196 Q CB 1.398 30.103 28.738 -0.055 0.000 1.252 196 Q HN 0.818 nan 8.270 nan 0.000 0.448 197 L N 0.053 121.268 121.223 -0.013 0.000 2.966 197 L HA 0.332 4.672 4.340 0.001 0.000 0.262 197 L C -0.171 176.850 176.870 0.251 0.000 1.165 197 L CA -0.263 54.657 54.840 0.133 0.000 0.978 197 L CB 0.455 42.640 42.059 0.210 0.000 1.337 197 L HN 0.711 nan 8.230 nan 0.000 0.563 198 E N 1.366 121.616 120.200 0.083 0.000 2.384 198 E HA 0.033 4.383 4.350 0.001 0.000 0.266 198 E C 0.016 176.726 176.600 0.182 0.000 1.012 198 E CA 0.295 56.800 56.400 0.174 0.000 0.901 198 E CB 0.486 30.216 29.700 0.050 0.000 0.967 198 E HN 0.251 nan 8.360 nan 0.000 0.435 199 N N 1.050 119.894 118.700 0.240 0.000 2.568 199 N HA -0.329 4.411 4.740 0.001 0.000 0.218 199 N C -0.341 175.209 175.510 0.067 0.000 0.244 199 N CA 2.178 55.319 53.050 0.152 0.000 4.081 199 N CB -0.650 37.875 38.487 0.063 0.000 0.872 199 N HN 0.720 nan 8.380 nan 0.000 0.235 200 Q N -0.769 119.021 119.800 -0.016 0.000 2.472 200 Q HA 0.615 4.956 4.340 0.001 0.000 0.281 200 Q C -3.416 172.490 176.000 -0.157 0.000 0.997 200 Q CA -1.900 53.764 55.803 -0.231 0.000 0.828 200 Q CB 2.730 31.296 28.738 -0.288 0.000 1.443 200 Q HN -0.086 nan 8.270 nan 0.000 0.390 201 P HA 0.036 nan 4.420 nan 0.000 0.264 201 P C -1.085 176.138 177.300 -0.128 0.000 1.193 201 P CA 0.507 63.467 63.100 -0.233 0.000 0.763 201 P CB 0.649 31.928 31.700 -0.702 0.000 0.810 202 S N 0.596 116.333 115.700 0.062 0.000 2.556 202 S HA 0.371 4.842 4.470 0.001 0.000 0.271 202 S C -0.851 173.894 174.600 0.242 0.000 1.135 202 S CA -1.096 57.177 58.200 0.121 0.000 0.858 202 S CB 1.303 64.534 63.200 0.053 0.000 1.114 202 S HN 0.422 nan 8.310 nan 0.000 0.468 203 E N 0.222 120.517 120.200 0.160 0.000 2.384 203 E HA 0.203 4.554 4.350 0.001 0.000 0.266 203 E C -0.499 176.084 176.600 -0.029 0.000 1.012 203 E CA -0.274 56.052 56.400 -0.124 0.000 0.901 203 E CB 0.389 29.983 29.700 -0.176 0.000 0.967 203 E HN 0.654 nan 8.360 nan 0.000 0.435 204 F N 4.726 124.544 119.950 -0.220 0.000 2.514 204 F HA 0.336 4.864 4.527 0.001 0.000 0.281 204 F C 0.375 176.110 175.800 -0.108 0.000 1.060 204 F CA 0.107 58.037 58.000 -0.116 0.000 1.397 204 F CB 0.712 39.666 39.000 -0.076 0.000 1.129 204 F HN 0.387 nan 8.300 nan 0.000 0.620 205 R N 0.824 121.251 120.500 -0.121 0.000 2.536 205 R HA 0.362 4.702 4.340 0.001 0.000 0.269 205 R C -1.435 174.802 176.300 -0.105 0.000 1.113 205 R CA -0.680 55.323 56.100 -0.162 0.000 0.948 205 R CB 1.549 31.804 30.300 -0.076 0.000 1.237 205 R HN 0.040 nan 8.270 nan 0.000 0.441 206 R N 3.972 124.411 120.500 -0.102 0.000 2.265 206 R HA 0.452 4.792 4.340 0.001 0.000 0.319 206 R C -0.417 175.870 176.300 -0.022 0.000 1.006 206 R CA -0.253 55.807 56.100 -0.068 0.000 0.880 206 R CB 1.003 31.265 30.300 -0.064 0.000 1.077 206 R HN 0.421 nan 8.270 nan 0.000 0.454 207 I N 2.121 122.692 120.570 0.000 0.000 2.404 207 I HA 0.147 4.318 4.170 0.001 0.000 0.293 207 I C 0.054 176.187 176.117 0.026 0.000 0.992 207 I CA -0.933 60.384 61.300 0.028 0.000 1.149 207 I CB 1.955 39.972 38.000 0.029 0.000 1.315 207 I HN 0.458 nan 8.210 nan 0.000 0.446 208 E N 4.912 125.136 120.200 0.039 0.000 2.351 208 E HA 0.024 4.375 4.350 0.001 0.000 0.266 208 E C -0.091 176.544 176.600 0.059 0.000 1.031 208 E CA 0.235 56.662 56.400 0.046 0.000 0.911 208 E CB 0.715 30.444 29.700 0.048 0.000 0.986 208 E HN 0.498 nan 8.360 nan 0.000 0.446 209 S N 5.605 121.356 115.700 0.086 0.000 2.546 209 S HA 0.077 4.548 4.470 0.001 0.000 0.290 209 S C -1.418 173.250 174.600 0.113 0.000 1.290 209 S CA -1.009 57.272 58.200 0.136 0.000 1.069 209 S CB 0.527 63.909 63.200 0.303 0.000 0.846 209 S HN 0.551 nan 8.310 nan 0.000 0.495 210 P HA 0.094 nan 4.420 nan 0.000 0.237 210 P C -0.348 177.016 177.300 0.108 0.000 1.178 210 P CA 0.574 63.742 63.100 0.113 0.000 0.766 210 P CB 0.028 31.810 31.700 0.136 0.000 0.876 211 L N -0.334 120.975 121.223 0.143 0.000 2.342 211 L HA 0.397 4.737 4.340 0.001 0.000 0.271 211 L C 1.516 178.478 176.870 0.153 0.000 1.008 211 L CA -0.762 54.173 54.840 0.159 0.000 0.818 211 L CB 2.345 44.515 42.059 0.185 0.000 1.296 211 L HN -0.357 nan 8.230 nan 0.000 0.427 212 K N 0.433 120.905 120.400 0.120 0.000 2.393 212 K HA 0.123 4.443 4.320 0.001 0.000 0.193 212 K C -0.288 176.193 176.600 -0.198 0.000 1.026 212 K CA 0.327 56.597 56.287 -0.028 0.000 1.064 212 K CB 0.230 32.701 32.500 -0.049 0.000 0.833 212 K HN 0.600 nan 8.250 nan 0.000 0.521 213 H N -0.656 118.445 119.070 0.052 0.000 2.797 213 H HA 0.154 4.710 4.556 0.001 0.000 0.362 213 H C -0.837 174.521 175.328 0.050 0.000 1.183 213 H CA -0.658 55.413 56.048 0.038 0.000 1.197 213 H CB 1.155 30.942 29.762 0.042 0.000 1.835 213 H HN -0.076 nan 8.280 nan 0.000 0.567 214 Q N 1.334 121.240 119.800 0.177 0.000 2.304 214 Q HA -0.059 4.282 4.340 0.001 0.000 0.315 214 Q C -0.707 175.436 176.000 0.238 0.000 1.075 214 Q CA 0.341 56.221 55.803 0.127 0.000 0.988 214 Q CB 0.219 29.047 28.738 0.149 0.000 1.146 214 Q HN 0.645 nan 8.270 nan 0.000 0.383 215 H N 2.952 122.136 119.070 0.190 0.000 2.652 215 H HA 0.113 4.669 4.556 0.001 0.000 0.349 215 H C 0.581 176.038 175.328 0.214 0.000 1.099 215 H CA -0.433 55.722 56.048 0.179 0.000 1.417 215 H CB 1.282 31.135 29.762 0.153 0.000 1.457 215 H HN 0.641 nan 8.280 nan 0.000 0.568 216 R N 1.171 121.833 120.500 0.270 0.000 2.562 216 R HA 0.176 4.517 4.340 0.001 0.000 0.191 216 R C -0.650 175.746 176.300 0.161 0.000 0.835 216 R CA 0.626 56.833 56.100 0.178 0.000 1.036 216 R CB 0.782 31.151 30.300 0.115 0.000 1.437 216 R HN 0.698 nan 8.270 nan 0.000 0.654 217 C N -1.403 117.983 119.300 0.144 0.000 3.086 217 C HA 0.858 5.319 4.460 0.001 0.000 0.311 217 C C -0.898 174.175 174.990 0.139 0.000 1.260 217 C CA -1.182 57.924 59.018 0.146 0.000 1.426 217 C CB 1.475 29.301 27.740 0.144 0.000 1.826 217 C HN 0.046 nan 8.230 nan 0.000 0.474 218 V N 1.022 121.034 119.914 0.163 0.000 2.969 218 V HA 0.907 5.028 4.120 0.001 0.000 0.304 218 V C -0.718 175.523 176.094 0.245 0.000 1.192 218 V CA 0.469 62.872 62.300 0.171 0.000 0.962 218 V CB 2.052 33.898 31.823 0.040 0.000 1.045 218 V HN 2.009 nan 8.190 nan 0.000 0.428 219 A N 6.262 129.295 122.820 0.355 0.000 2.427 219 A HA 0.831 5.151 4.320 0.001 0.000 0.298 219 A C -1.034 176.821 177.584 0.452 0.000 1.036 219 A CA -0.554 51.745 52.037 0.436 0.000 0.701 219 A CB 1.321 20.675 19.000 0.589 0.000 1.250 219 A HN 0.806 nan 8.150 nan 0.000 0.412 220 I N 2.441 123.161 120.570 0.250 0.000 2.519 220 I HA 0.435 4.606 4.170 0.001 0.000 0.287 220 I C -0.161 175.873 176.117 -0.139 0.000 1.047 220 I CA -0.050 61.283 61.300 0.054 0.000 1.381 220 I CB 0.789 38.786 38.000 -0.004 0.000 1.417 220 I HN 0.684 nan 8.210 nan 0.000 0.540 221 F N 3.868 123.571 119.950 -0.411 0.000 2.579 221 F HA 0.765 5.293 4.527 0.001 0.000 0.324 221 F C -0.833 174.779 175.800 -0.314 0.000 1.058 221 F CA -1.177 56.401 58.000 -0.704 0.000 0.944 221 F CB 0.981 39.118 39.000 -1.439 0.000 1.245 221 F HN 0.199 nan 8.300 nan 0.000 0.477 222 K N 0.809 121.209 120.400 -0.001 0.000 2.221 222 K HA 0.345 4.665 4.320 0.001 0.000 0.243 222 K C -1.051 175.631 176.600 0.136 0.000 0.968 222 K CA -1.016 55.279 56.287 0.012 0.000 0.846 222 K CB 1.482 33.990 32.500 0.012 0.000 1.141 222 K HN 0.806 nan 8.250 nan 0.000 0.434 223 D N 0.167 120.624 120.400 0.095 0.000 2.478 223 D HA 0.017 4.657 4.640 0.001 0.000 0.269 223 D C 0.776 177.133 176.300 0.095 0.000 1.232 223 D CA -0.369 53.709 54.000 0.131 0.000 1.059 223 D CB 0.531 41.392 40.800 0.101 0.000 1.104 223 D HN 0.402 nan 8.370 nan 0.000 0.566 224 K N -1.226 119.226 120.400 0.085 0.000 2.152 224 K HA -0.216 4.104 4.320 0.001 0.000 0.206 224 K C 1.285 177.913 176.600 0.047 0.000 1.048 224 K CA 1.282 57.607 56.287 0.063 0.000 0.933 224 K CB 0.013 32.545 32.500 0.052 0.000 0.721 224 K HN 0.282 nan 8.250 nan 0.000 0.447 225 Q N 0.135 119.959 119.800 0.041 0.000 2.365 225 Q HA 0.050 4.390 4.340 0.001 0.000 0.203 225 Q C -0.144 175.873 176.000 0.028 0.000 0.929 225 Q CA 0.184 56.005 55.803 0.029 0.000 0.948 225 Q CB 0.305 29.056 28.738 0.022 0.000 1.043 225 Q HN 0.344 nan 8.270 nan 0.000 0.505 226 N N -0.140 118.580 118.700 0.034 0.000 2.829 226 N HA -0.178 4.562 4.740 0.001 0.000 0.250 226 N C -1.354 174.167 175.510 0.018 0.000 1.090 226 N CA 0.716 53.785 53.050 0.031 0.000 0.781 226 N CB -0.561 37.945 38.487 0.032 0.000 1.124 226 N HN 0.191 nan 8.380 nan 0.000 0.559 227 K N 0.748 121.151 120.400 0.006 0.000 2.159 227 K HA 0.404 4.725 4.320 0.001 0.000 0.266 227 K C -2.394 174.175 176.600 -0.052 0.000 0.975 227 K CA -1.807 54.466 56.287 -0.024 0.000 0.865 227 K CB 1.133 33.615 32.500 -0.030 0.000 1.087 227 K HN 0.045 nan 8.250 nan 0.000 0.446 228 P HA -0.082 nan 4.420 nan 0.000 0.264 228 P C -0.028 177.165 177.300 -0.179 0.000 1.193 228 P CA 0.391 63.404 63.100 -0.145 0.000 0.763 228 P CB 0.939 32.555 31.700 -0.140 0.000 0.810 229 T N 0.649 115.031 114.554 -0.288 0.000 3.131 229 T HA 0.423 4.774 4.350 0.001 0.000 0.283 229 T C 0.226 174.680 174.700 -0.410 0.000 0.906 229 T CA 0.503 62.468 62.100 -0.224 0.000 0.882 229 T CB -0.040 68.803 68.868 -0.042 0.000 1.208 229 T HN 0.637 nan 8.240 nan 0.000 0.561 230 G N 0.931 109.221 108.800 -0.851 0.000 2.430 230 G HA2 0.520 4.480 3.960 0.001 0.000 0.300 230 G HA3 0.520 4.480 3.960 0.001 0.000 0.300 230 G C -2.073 172.187 174.900 -1.066 0.000 1.330 230 G CA -0.444 43.974 45.100 -1.137 0.000 0.813 230 G HN 0.440 nan 8.290 nan 0.000 0.487 231 F N -1.916 117.718 119.950 -0.528 0.000 2.668 231 F HA 0.908 5.436 4.527 0.001 0.000 0.309 231 F C -0.171 175.825 175.800 0.327 0.000 1.117 231 F CA -1.345 56.614 58.000 -0.068 0.000 0.951 231 F CB 1.349 40.328 39.000 -0.034 0.000 1.323 231 F HN 1.021 nan 8.300 nan 0.000 0.451 232 A N 1.881 125.108 122.820 0.679 0.000 2.312 232 A HA 0.858 5.179 4.320 0.001 0.000 0.328 232 A C -1.771 176.051 177.584 0.396 0.000 1.158 232 A CA -0.760 51.553 52.037 0.460 0.000 0.821 232 A CB 1.470 20.748 19.000 0.462 0.000 1.170 232 A HN 1.156 nan 8.150 nan 0.000 0.490 233 L N 1.603 122.952 121.223 0.210 0.000 2.470 233 L HA 0.767 5.107 4.340 0.001 0.000 0.268 233 L C 0.004 176.881 176.870 0.013 0.000 0.964 233 L CA 0.114 55.033 54.840 0.131 0.000 0.839 233 L CB 1.944 44.070 42.059 0.111 0.000 1.276 233 L HN 0.850 nan 8.230 nan 0.000 0.403 234 G N 2.113 110.931 108.800 0.030 0.000 2.420 234 G HA2 0.651 4.612 3.960 0.001 0.000 0.331 234 G HA3 0.651 4.612 3.960 0.001 0.000 0.331 234 G C -0.879 174.058 174.900 0.061 0.000 1.168 234 G CA 0.028 45.135 45.100 0.011 0.000 0.936 234 G HN 0.857 nan 8.290 nan 0.000 0.479 235 S N 0.122 115.859 115.700 0.062 0.000 2.798 235 S HA 0.444 4.914 4.470 0.001 0.000 0.312 235 S C 1.402 176.051 174.600 0.081 0.000 1.122 235 S CA -0.372 57.904 58.200 0.126 0.000 0.949 235 S CB 1.232 64.531 63.200 0.165 0.000 1.235 235 S HN 0.981 nan 8.310 nan 0.000 0.552 236 I N -2.388 118.233 120.570 0.086 0.000 3.176 236 I HA 0.224 4.394 4.170 0.001 0.000 0.275 236 I C 1.234 177.332 176.117 -0.031 0.000 1.298 236 I CA 0.943 62.264 61.300 0.035 0.000 1.445 236 I CB -0.222 37.802 38.000 0.040 0.000 1.075 236 I HN 0.636 nan 8.210 nan 0.000 0.482 237 E N 2.495 122.649 120.200 -0.075 0.000 2.511 237 E HA 0.167 4.518 4.350 0.001 0.000 0.214 237 E C 0.947 177.492 176.600 -0.090 0.000 1.062 237 E CA 0.005 56.283 56.400 -0.203 0.000 1.213 237 E CB -0.049 29.323 29.700 -0.546 0.000 1.214 237 E HN 0.573 nan 8.360 nan 0.000 0.441 238 G N 2.608 111.409 108.800 0.001 0.000 2.395 238 G HA2 -0.317 3.644 3.960 0.001 0.000 0.300 238 G HA3 -0.317 3.644 3.960 0.001 0.000 0.300 238 G C 0.034 174.933 174.900 -0.002 0.000 0.998 238 G CA 1.103 46.244 45.100 0.068 0.000 1.046 238 G HN 0.359 nan 8.290 nan 0.000 0.513 239 R N -1.357 119.104 120.500 -0.065 0.000 2.604 239 R HA 0.587 4.928 4.340 0.001 0.000 0.270 239 R C -1.162 174.963 176.300 -0.292 0.000 1.052 239 R CA -0.746 55.245 56.100 -0.182 0.000 0.902 239 R CB 2.107 32.349 30.300 -0.097 0.000 1.233 239 R HN 0.164 nan 8.270 nan 0.000 0.455 240 V N 2.083 121.617 119.914 -0.634 0.000 2.735 240 V HA 0.726 4.846 4.120 0.001 0.000 0.310 240 V C -0.595 175.138 176.094 -0.602 0.000 1.061 240 V CA -0.746 61.146 62.300 -0.680 0.000 0.913 240 V CB 1.850 33.053 31.823 -1.033 0.000 1.005 240 V HN 0.897 nan 8.190 nan 0.000 0.428 241 A N 5.460 128.099 122.820 -0.301 0.000 2.304 241 A HA 0.824 5.144 4.320 0.001 0.000 0.323 241 A C -0.777 176.688 177.584 -0.198 0.000 1.195 241 A CA -0.506 51.401 52.037 -0.216 0.000 0.826 241 A CB 0.586 19.547 19.000 -0.065 0.000 1.184 241 A HN 0.581 nan 8.150 nan 0.000 0.496 242 I N 2.517 122.869 120.570 -0.365 0.000 2.315 242 I HA 0.292 4.462 4.170 0.001 0.000 0.291 242 I C -0.281 175.718 176.117 -0.196 0.000 1.006 242 I CA -0.032 61.088 61.300 -0.300 0.000 1.265 242 I CB 0.667 38.303 38.000 -0.606 0.000 1.387 242 I HN 0.792 nan 8.210 nan 0.000 0.475 243 H N 5.944 124.786 119.070 -0.381 0.000 3.013 243 H HA 0.448 5.005 4.556 0.001 0.000 0.326 243 H C -1.315 173.674 175.328 -0.565 0.000 0.973 243 H CA -0.322 55.433 56.048 -0.488 0.000 1.369 243 H CB 0.970 30.221 29.762 -0.850 0.000 1.598 243 H HN 0.356 nan 8.280 nan 0.000 0.518 244 Y N 4.815 124.928 120.300 -0.312 0.000 2.301 244 Y HA 0.041 4.592 4.550 0.001 0.000 0.325 244 Y C 1.079 176.881 175.900 -0.162 0.000 1.203 244 Y CA -0.657 57.336 58.100 -0.178 0.000 1.255 244 Y CB 0.637 39.068 38.460 -0.048 0.000 1.232 244 Y HN 0.620 nan 8.280 nan 0.000 0.501 245 I N 1.314 121.925 120.570 0.068 0.000 2.233 245 I HA -0.186 3.985 4.170 0.001 0.000 0.243 245 I C 0.555 176.755 176.117 0.138 0.000 1.093 245 I CA 1.357 62.737 61.300 0.133 0.000 1.380 245 I CB -0.423 37.634 38.000 0.095 0.000 1.067 245 I HN 0.612 nan 8.210 nan 0.000 0.413 246 N N 1.198 119.964 118.700 0.110 0.000 2.733 246 N HA 0.247 4.988 4.740 0.001 0.000 0.271 246 N C -2.415 173.120 175.510 0.042 0.000 1.720 246 N CA -0.695 52.404 53.050 0.081 0.000 0.803 246 N CB 1.529 40.064 38.487 0.080 0.000 1.208 246 N HN 0.158 nan 8.380 nan 0.000 0.498 247 P HA 0.434 nan 4.420 nan 0.000 0.279 247 P C -2.032 175.239 177.300 -0.049 0.000 1.252 247 P CA -0.978 62.084 63.100 -0.063 0.000 0.811 247 P CB 1.159 32.796 31.700 -0.104 0.000 1.035 248 P HA -0.012 nan 4.420 nan 0.000 0.223 248 P C 0.294 177.573 177.300 -0.035 0.000 1.151 248 P CA 1.276 64.350 63.100 -0.043 0.000 0.787 248 P CB 0.239 31.909 31.700 -0.049 0.000 0.788 249 N N -1.334 117.338 118.700 -0.046 0.000 2.722 249 N HA 0.159 4.899 4.740 0.001 0.000 0.242 249 N C -2.342 173.156 175.510 -0.020 0.000 1.398 249 N CA -1.938 51.096 53.050 -0.028 0.000 0.755 249 N CB 0.637 39.106 38.487 -0.030 0.000 1.268 249 N HN -0.220 nan 8.380 nan 0.000 0.522 250 P HA -0.083 nan 4.420 nan 0.000 0.216 250 P C 1.080 178.392 177.300 0.020 0.000 1.153 250 P CA 1.318 64.413 63.100 -0.007 0.000 0.858 250 P CB 0.310 32.009 31.700 -0.002 0.000 0.789 251 A N 0.135 122.972 122.820 0.028 0.000 2.019 251 A HA -0.211 4.110 4.320 0.001 0.000 0.219 251 A C 2.112 179.730 177.584 0.057 0.000 1.164 251 A CA 2.137 54.201 52.037 0.046 0.000 0.644 251 A CB -0.967 18.055 19.000 0.036 0.000 0.805 251 A HN 0.388 nan 8.150 nan 0.000 0.449 252 K N -1.755 118.669 120.400 0.040 0.000 2.335 252 K HA 0.084 4.405 4.320 0.001 0.000 0.195 252 K C 0.651 177.290 176.600 0.065 0.000 1.058 252 K CA 0.796 57.107 56.287 0.039 0.000 0.988 252 K CB 0.077 32.579 32.500 0.003 0.000 0.880 252 K HN 0.087 nan 8.250 nan 0.000 0.513 253 D N 1.097 121.529 120.400 0.053 0.000 2.194 253 D HA -0.030 4.611 4.640 0.001 0.000 0.204 253 D C -0.124 176.364 176.300 0.312 0.000 0.964 253 D CA 0.638 54.682 54.000 0.073 0.000 0.846 253 D CB -0.117 40.617 40.800 -0.109 0.000 0.962 253 D HN 0.179 nan 8.370 nan 0.000 0.490 254 N N 0.685 119.522 118.700 0.229 0.000 2.472 254 N HA 0.353 5.093 4.740 0.001 0.000 0.277 254 N C -0.255 175.452 175.510 0.328 0.000 1.081 254 N CA -0.223 52.955 53.050 0.212 0.000 0.973 254 N CB 0.915 39.375 38.487 -0.044 0.000 1.105 254 N HN 0.069 nan 8.380 nan 0.000 0.470 255 F N -1.912 118.113 119.950 0.126 0.000 2.711 255 F HA 0.694 5.221 4.527 0.001 0.000 0.313 255 F C -0.417 175.463 175.800 0.134 0.000 1.141 255 F CA -1.130 56.943 58.000 0.122 0.000 0.941 255 F CB 1.162 40.235 39.000 0.121 0.000 1.349 255 F HN 0.288 nan 8.300 nan 0.000 0.464 256 T N -0.233 114.441 114.554 0.200 0.000 2.924 256 T HA 0.848 5.199 4.350 0.001 0.000 0.291 256 T C -1.166 173.697 174.700 0.271 0.000 1.045 256 T CA -0.669 61.447 62.100 0.027 0.000 1.015 256 T CB 2.037 70.907 68.868 0.003 0.000 1.103 256 T HN 1.177 nan 8.240 nan 0.000 0.496 257 F N -1.316 118.621 119.950 -0.021 0.000 2.601 257 F HA 0.775 5.302 4.527 0.001 0.000 0.309 257 F C -0.785 174.964 175.800 -0.086 0.000 1.089 257 F CA -1.404 56.588 58.000 -0.014 0.000 0.940 257 F CB 1.496 40.470 39.000 -0.043 0.000 1.273 257 F HN 0.566 nan 8.300 nan 0.000 0.450 258 K N 2.026 122.488 120.400 0.104 0.000 2.118 258 K HA 0.750 5.070 4.320 0.001 0.000 0.264 258 K C -0.816 175.853 176.600 0.114 0.000 1.000 258 K CA -0.542 55.767 56.287 0.037 0.000 0.929 258 K CB 1.488 34.036 32.500 0.079 0.000 1.021 258 K HN 1.004 nan 8.250 nan 0.000 0.463 259 C N -1.429 117.924 119.300 0.088 0.000 3.295 259 C HA 0.391 4.851 4.460 0.001 0.000 0.341 259 C C -0.517 174.568 174.990 0.160 0.000 1.418 259 C CA -1.084 58.032 59.018 0.164 0.000 1.240 259 C CB 0.787 28.633 27.740 0.178 0.000 1.562 259 C HN 1.043 nan 8.230 nan 0.000 0.457 260 H N -0.383 118.829 119.070 0.238 0.000 2.692 260 H HA -0.126 4.430 4.556 0.001 0.000 0.316 260 H C -0.008 175.466 175.328 0.243 0.000 1.176 260 H CA 1.612 57.772 56.048 0.187 0.000 1.142 260 H CB -0.903 28.964 29.762 0.174 0.000 1.475 260 H HN 0.722 nan 8.280 nan 0.000 0.423 261 R N 0.031 120.673 120.500 0.236 0.000 2.854 261 R HA 0.467 4.807 4.340 0.001 0.000 0.271 261 R C 0.252 176.663 176.300 0.186 0.000 0.994 261 R CA -0.185 56.058 56.100 0.237 0.000 0.945 261 R CB 1.647 32.030 30.300 0.139 0.000 1.194 261 R HN 0.258 nan 8.270 nan 0.000 0.476 262 S N 0.269 116.086 115.700 0.194 0.000 2.608 262 S HA 0.060 4.531 4.470 0.001 0.000 0.261 262 S C 0.201 174.845 174.600 0.073 0.000 1.314 262 S CA -0.781 57.495 58.200 0.127 0.000 0.992 262 S CB 0.584 63.865 63.200 0.134 0.000 0.935 262 S HN 0.668 nan 8.310 nan 0.000 0.564 263 N N 0.405 119.132 118.700 0.045 0.000 2.434 263 N HA 0.046 4.787 4.740 0.001 0.000 0.268 263 N C 0.896 176.425 175.510 0.032 0.000 1.256 263 N CA 0.256 53.324 53.050 0.030 0.000 0.914 263 N CB 0.353 38.848 38.487 0.013 0.000 1.088 263 N HN 0.848 nan 8.380 nan 0.000 0.478 264 G N 2.347 111.166 108.800 0.032 0.000 2.986 264 G HA2 -0.060 3.900 3.960 0.001 0.000 0.213 264 G HA3 -0.060 3.900 3.960 0.001 0.000 0.213 264 G C 1.175 176.088 174.900 0.022 0.000 1.156 264 G CA 0.181 45.298 45.100 0.028 0.000 0.763 264 G HN 0.551 nan 8.290 nan 0.000 0.547 265 T N 1.219 115.785 114.554 0.019 0.000 2.668 265 T HA -0.097 4.254 4.350 0.001 0.000 0.258 265 T C 2.214 176.920 174.700 0.010 0.000 1.051 265 T CA 1.522 63.631 62.100 0.014 0.000 1.155 265 T CB -0.241 68.634 68.868 0.011 0.000 0.864 265 T HN 0.360 nan 8.240 nan 0.000 0.413 266 N N 0.838 119.543 118.700 0.008 0.000 2.197 266 N HA 0.014 4.754 4.740 0.001 0.000 0.184 266 N C 1.064 176.578 175.510 0.007 0.000 1.030 266 N CA 0.967 54.020 53.050 0.005 0.000 0.851 266 N CB -0.302 38.186 38.487 0.001 0.000 1.003 266 N HN 0.454 nan 8.380 nan 0.000 0.430 267 T N -1.841 112.718 114.554 0.009 0.000 2.791 267 T HA 0.011 4.361 4.350 0.001 0.000 0.323 267 T C 1.259 175.965 174.700 0.010 0.000 1.082 267 T CA -0.271 61.835 62.100 0.010 0.000 1.084 267 T CB 1.370 70.247 68.868 0.014 0.000 0.992 267 T HN -0.004 nan 8.240 nan 0.000 0.547 268 S N 0.519 116.225 115.700 0.009 0.000 2.404 268 S HA 0.317 4.788 4.470 0.001 0.000 0.223 268 S C 1.296 175.902 174.600 0.009 0.000 1.040 268 S CA 0.248 58.454 58.200 0.009 0.000 0.957 268 S CB -0.927 62.277 63.200 0.007 0.000 0.826 268 S HN 1.108 nan 8.310 nan 0.000 0.491 269 A N 2.052 124.878 122.820 0.010 0.000 2.366 269 A HA 0.544 4.864 4.320 0.001 0.000 0.250 269 A C -2.161 175.429 177.584 0.009 0.000 1.099 269 A CA -0.995 51.048 52.037 0.010 0.000 0.794 269 A CB -0.904 18.103 19.000 0.012 0.000 1.056 269 A HN 0.416 nan 8.150 nan 0.000 0.499 270 P HA 0.097 nan 4.420 nan 0.000 0.268 270 P C -0.519 176.783 177.300 0.003 0.000 1.208 270 P CA -0.037 63.063 63.100 0.000 0.000 0.777 270 P CB 0.303 31.997 31.700 -0.009 0.000 0.875 271 Q N 1.980 121.782 119.800 0.003 0.000 2.288 271 Q HA 0.077 4.417 4.340 0.001 0.000 0.258 271 Q C -0.696 175.295 176.000 -0.016 0.000 0.957 271 Q CA -0.412 55.398 55.803 0.011 0.000 0.919 271 Q CB 0.320 29.070 28.738 0.020 0.000 1.185 271 Q HN 0.351 nan 8.270 nan 0.000 0.408 272 D N 4.639 125.035 120.400 -0.008 0.000 2.308 272 D HA 0.257 4.897 4.640 0.001 0.000 0.251 272 D C -0.341 175.874 176.300 -0.142 0.000 1.127 272 D CA 0.207 54.138 54.000 -0.116 0.000 0.876 272 D CB 0.782 41.537 40.800 -0.075 0.000 1.176 272 D HN 0.510 nan 8.370 nan 0.000 0.446 273 I N 2.756 123.154 120.570 -0.286 0.000 2.354 273 I HA 0.247 4.418 4.170 0.001 0.000 0.292 273 I C -0.558 175.348 176.117 -0.352 0.000 0.989 273 I CA -0.717 60.470 61.300 -0.187 0.000 1.188 273 I CB 0.836 38.754 38.000 -0.138 0.000 1.342 273 I HN 0.202 nan 8.210 nan 0.000 0.457 274 Y N 3.536 123.851 120.300 0.026 0.000 2.562 274 Y HA 0.667 5.217 4.550 0.001 0.000 0.343 274 Y C 0.518 176.429 175.900 0.018 0.000 1.025 274 Y CA -0.938 57.176 58.100 0.024 0.000 1.082 274 Y CB 1.674 40.169 38.460 0.060 0.000 1.264 274 Y HN 0.566 nan 8.280 nan 0.000 0.478 275 A N 1.140 124.055 122.820 0.159 0.000 2.462 275 A HA 0.456 4.776 4.320 0.001 0.000 0.243 275 A C -0.678 176.928 177.584 0.037 0.000 1.076 275 A CA -0.442 51.639 52.037 0.074 0.000 0.773 275 A CB -0.125 18.902 19.000 0.045 0.000 1.010 275 A HN 0.518 nan 8.150 nan 0.000 0.493 276 V N 3.784 123.708 119.914 0.016 0.000 2.408 276 V HA 0.111 4.231 4.120 0.001 0.000 0.267 276 V C 0.635 176.727 176.094 -0.004 0.000 1.047 276 V CA -0.325 61.948 62.300 -0.045 0.000 0.937 276 V CB 0.681 32.519 31.823 0.024 0.000 0.999 276 V HN 0.953 nan 8.190 nan 0.000 0.472 277 N N 3.174 121.860 118.700 -0.023 0.000 2.415 277 N HA 0.177 4.918 4.740 0.001 0.000 0.174 277 N C 0.615 176.172 175.510 0.078 0.000 1.048 277 N CA 0.839 53.909 53.050 0.033 0.000 0.895 277 N CB 0.994 39.499 38.487 0.030 0.000 1.036 277 N HN 0.793 nan 8.380 nan 0.000 0.449 278 G N -0.134 108.720 108.800 0.090 0.000 2.718 278 G HA2 0.686 4.647 3.960 0.001 0.000 0.295 278 G HA3 0.686 4.647 3.960 0.001 0.000 0.295 278 G C -1.707 173.307 174.900 0.191 0.000 1.421 278 G CA -0.354 44.836 45.100 0.149 0.000 0.902 278 G HN 0.040 nan 8.290 nan 0.000 0.501 279 I N 0.311 121.014 120.570 0.221 0.000 2.692 279 I HA 0.732 4.903 4.170 0.001 0.000 0.293 279 I C -0.746 175.543 176.117 0.286 0.000 1.200 279 I CA -0.745 60.700 61.300 0.242 0.000 1.036 279 I CB 2.063 40.185 38.000 0.204 0.000 1.258 279 I HN 0.923 nan 8.210 nan 0.000 0.421 280 A N 6.109 129.110 122.820 0.302 0.000 2.488 280 A HA 0.727 5.047 4.320 0.001 0.000 0.298 280 A C -1.789 176.058 177.584 0.438 0.000 1.044 280 A CA -0.334 51.964 52.037 0.435 0.000 0.693 280 A CB 0.935 20.220 19.000 0.475 0.000 1.272 280 A HN 0.505 nan 8.150 nan 0.000 0.402 281 F N 2.060 122.279 119.950 0.447 0.000 2.385 281 F HA 0.315 4.843 4.527 0.001 0.000 0.336 281 F C 1.138 176.982 175.800 0.074 0.000 1.100 281 F CA 0.187 58.366 58.000 0.299 0.000 1.116 281 F CB 1.070 40.215 39.000 0.243 0.000 1.166 281 F HN 0.657 nan 8.300 nan 0.000 0.511 282 H N 5.970 124.942 119.070 -0.164 0.000 2.848 282 H HA 0.092 4.649 4.556 0.001 0.000 0.317 282 H C -1.703 173.449 175.328 -0.294 0.000 1.046 282 H CA -1.534 54.066 56.048 -0.747 0.000 1.470 282 H CB 1.574 30.916 29.762 -0.701 0.000 1.483 282 H HN 0.340 nan 8.280 nan 0.000 0.548 283 P HA -0.097 nan 4.420 nan 0.000 0.230 283 P C 1.080 178.306 177.300 -0.123 0.000 1.158 283 P CA 0.494 63.475 63.100 -0.198 0.000 0.769 283 P CB 0.680 32.254 31.700 -0.209 0.000 0.807 284 V N -0.476 119.366 119.914 -0.121 0.000 2.690 284 V HA -0.021 4.100 4.120 0.001 0.000 0.240 284 V C 2.409 178.460 176.094 -0.073 0.000 1.078 284 V CA 1.246 63.466 62.300 -0.134 0.000 1.102 284 V CB -1.135 30.495 31.823 -0.322 0.000 0.800 284 V HN 0.104 nan 8.190 nan 0.000 0.479 285 H N 0.588 119.755 119.070 0.162 0.000 2.525 285 H HA 0.242 4.799 4.556 0.001 0.000 0.275 285 H C 2.129 177.483 175.328 0.043 0.000 0.984 285 H CA 0.773 56.803 56.048 -0.031 0.000 1.264 285 H CB -0.015 29.575 29.762 -0.286 0.000 1.432 285 H HN 0.513 nan 8.280 nan 0.000 0.549 286 G N 1.429 110.362 108.800 0.221 0.000 2.162 286 G HA2 -0.331 3.629 3.960 0.001 0.000 0.260 286 G HA3 -0.331 3.629 3.960 0.001 0.000 0.260 286 G C 0.833 175.954 174.900 0.367 0.000 0.976 286 G CA 0.812 46.079 45.100 0.278 0.000 0.655 286 G HN 0.632 nan 8.290 nan 0.000 0.533 287 T N -0.991 113.704 114.554 0.235 0.000 2.754 287 T HA 0.685 5.036 4.350 0.001 0.000 0.286 287 T C 0.395 175.153 174.700 0.098 0.000 0.997 287 T CA 0.135 62.323 62.100 0.148 0.000 0.982 287 T CB 1.927 70.812 68.868 0.027 0.000 1.027 287 T HN 1.546 nan 8.240 nan 0.000 0.529 288 L N -2.122 119.108 121.223 0.012 0.000 2.393 288 L HA 0.946 5.286 4.340 0.001 0.000 0.260 288 L C -0.771 176.264 176.870 0.274 0.000 1.002 288 L CA -1.654 53.118 54.840 -0.112 0.000 0.818 288 L CB 1.723 43.340 42.059 -0.737 0.000 1.369 288 L HN 0.890 nan 8.230 nan 0.000 0.412 289 A N 1.114 124.154 122.820 0.366 0.000 2.324 289 A HA 0.865 5.185 4.320 0.001 0.000 0.330 289 A C -0.098 177.780 177.584 0.491 0.000 1.165 289 A CA -0.070 52.270 52.037 0.505 0.000 0.813 289 A CB 1.276 20.475 19.000 0.332 0.000 1.197 289 A HN 0.904 nan 8.150 nan 0.000 0.484 290 T N -1.034 113.890 114.554 0.616 0.000 2.887 290 T HA 0.736 5.086 4.350 0.001 0.000 0.288 290 T C -0.315 174.708 174.700 0.539 0.000 1.021 290 T CA -0.244 62.204 62.100 0.580 0.000 1.000 290 T CB 1.067 70.405 68.868 0.783 0.000 1.034 290 T HN 1.791 nan 8.240 nan 0.000 0.467 291 V N -0.961 119.112 119.914 0.265 0.000 2.823 291 V HA 1.036 5.157 4.120 0.001 0.000 0.312 291 V C -0.014 175.890 176.094 -0.318 0.000 1.072 291 V CA -0.512 61.860 62.300 0.120 0.000 0.937 291 V CB 1.411 33.380 31.823 0.243 0.000 1.013 291 V HN 1.414 nan 8.190 nan 0.000 0.430 292 G N 0.632 109.196 108.800 -0.392 0.000 2.680 292 G HA2 0.486 4.447 3.960 0.001 0.000 0.290 292 G HA3 0.486 4.447 3.960 0.001 0.000 0.290 292 G C 0.183 175.018 174.900 -0.107 0.000 1.355 292 G CA 0.138 44.966 45.100 -0.453 0.000 0.903 292 G HN 0.925 nan 8.290 nan 0.000 0.474 293 S N -0.488 115.191 115.700 -0.035 0.000 2.507 293 S HA -0.103 4.367 4.470 0.001 0.000 0.235 293 S C 1.860 176.353 174.600 -0.178 0.000 0.988 293 S CA 1.598 59.814 58.200 0.026 0.000 0.944 293 S CB -0.160 63.144 63.200 0.173 0.000 0.762 293 S HN 0.691 nan 8.310 nan 0.000 0.526 294 D N 0.461 120.601 120.400 -0.432 0.000 2.378 294 D HA 0.072 4.713 4.640 0.001 0.000 0.227 294 D C 1.203 177.294 176.300 -0.349 0.000 1.012 294 D CA 0.849 54.313 54.000 -0.893 0.000 0.905 294 D CB -0.984 39.374 40.800 -0.736 0.000 0.895 294 D HN 0.393 nan 8.370 nan 0.000 0.532 295 G N 0.533 109.256 108.800 -0.130 0.000 2.198 295 G HA2 -0.311 3.650 3.960 0.001 0.000 0.257 295 G HA3 -0.311 3.650 3.960 0.001 0.000 0.257 295 G C -0.050 174.837 174.900 -0.020 0.000 1.042 295 G CA 0.078 45.170 45.100 -0.013 0.000 0.791 295 G HN 0.507 nan 8.290 nan 0.000 0.502 296 R N -1.031 119.469 120.500 -0.000 0.000 2.744 296 R HA 0.664 5.004 4.340 0.001 0.000 0.279 296 R C -0.007 176.333 176.300 0.067 0.000 0.977 296 R CA -0.906 55.139 56.100 -0.092 0.000 0.906 296 R CB 1.372 31.588 30.300 -0.140 0.000 1.197 296 R HN 0.382 nan 8.270 nan 0.000 0.463 297 F N -0.845 119.051 119.950 -0.090 0.000 2.425 297 F HA 0.752 5.279 4.527 0.001 0.000 0.331 297 F C -0.406 175.210 175.800 -0.306 0.000 1.085 297 F CA -0.710 57.234 58.000 -0.094 0.000 1.028 297 F CB 1.638 40.519 39.000 -0.199 0.000 1.177 297 F HN 0.167 nan 8.300 nan 0.000 0.487 298 S N 1.955 117.664 115.700 0.014 0.000 2.568 298 S HA 0.714 5.185 4.470 0.001 0.000 0.293 298 S C -1.483 172.896 174.600 -0.370 0.000 1.089 298 S CA -0.542 57.405 58.200 -0.422 0.000 0.945 298 S CB 1.485 64.352 63.200 -0.555 0.000 1.077 298 S HN 0.458 nan 8.310 nan 0.000 0.485 299 F N 0.970 120.574 119.950 -0.576 0.000 2.508 299 F HA 0.704 5.231 4.527 0.001 0.000 0.325 299 F C -0.822 174.615 175.800 -0.605 0.000 1.090 299 F CA -1.620 56.145 58.000 -0.391 0.000 0.945 299 F CB 1.148 40.014 39.000 -0.222 0.000 1.156 299 F HN 0.562 nan 8.300 nan 0.000 0.463 300 W N 0.958 122.335 121.300 0.129 0.000 3.107 300 W HA 0.416 5.077 4.660 0.001 0.000 0.331 300 W C -1.068 175.421 176.519 -0.050 0.000 1.204 300 W CA -0.701 56.628 57.345 -0.027 0.000 1.184 300 W CB 1.271 30.657 29.460 -0.122 0.000 1.421 300 W HN 0.248 nan 8.180 nan 0.000 0.544 301 D N 1.865 122.368 120.400 0.172 0.000 2.453 301 D HA 0.164 4.805 4.640 0.001 0.000 0.238 301 D C 0.519 176.870 176.300 0.086 0.000 1.088 301 D CA -0.578 53.477 54.000 0.092 0.000 0.854 301 D CB 1.354 42.176 40.800 0.036 0.000 1.076 301 D HN 0.454 nan 8.370 nan 0.000 0.533 302 K N 2.082 122.543 120.400 0.102 0.000 2.459 302 K HA 0.093 4.413 4.320 0.001 0.000 0.193 302 K C 0.597 177.312 176.600 0.192 0.000 1.030 302 K CA 0.644 57.031 56.287 0.166 0.000 1.026 302 K CB 0.477 33.050 32.500 0.121 0.000 0.809 302 K HN 0.113 nan 8.250 nan 0.000 0.504 303 D N 1.219 121.681 120.400 0.104 0.000 2.197 303 D HA 0.039 4.679 4.640 0.001 0.000 0.212 303 D C 1.728 178.036 176.300 0.013 0.000 0.963 303 D CA 1.433 55.480 54.000 0.078 0.000 0.864 303 D CB -0.065 40.775 40.800 0.067 0.000 1.009 303 D HN 0.340 nan 8.370 nan 0.000 0.479 304 A N 0.523 123.344 122.820 0.001 0.000 2.119 304 A HA -0.006 4.314 4.320 0.001 0.000 0.216 304 A C 0.614 178.164 177.584 -0.057 0.000 1.152 304 A CA 0.203 52.222 52.037 -0.029 0.000 0.708 304 A CB -0.277 18.710 19.000 -0.022 0.000 0.805 304 A HN 0.206 nan 8.150 nan 0.000 0.460 305 R N -0.130 120.341 120.500 -0.048 0.000 3.261 305 R HA -0.121 4.219 4.340 0.001 0.000 0.257 305 R C -0.439 175.838 176.300 -0.038 0.000 1.014 305 R CA 0.791 56.838 56.100 -0.089 0.000 0.681 305 R CB -2.896 27.241 30.300 -0.272 0.000 1.155 305 R HN 0.708 nan 8.270 nan 0.000 0.424 306 T N -2.904 111.658 114.554 0.013 0.000 2.916 306 T HA 0.493 4.844 4.350 0.001 0.000 0.292 306 T C -0.349 174.424 174.700 0.121 0.000 1.055 306 T CA -1.187 60.938 62.100 0.041 0.000 1.009 306 T CB 2.847 71.714 68.868 -0.000 0.000 1.118 306 T HN 0.251 nan 8.240 nan 0.000 0.497 307 K N 2.019 122.457 120.400 0.063 0.000 2.248 307 K HA 0.409 4.729 4.320 0.001 0.000 0.281 307 K C 0.331 176.804 176.600 -0.212 0.000 1.054 307 K CA -0.735 55.436 56.287 -0.193 0.000 0.903 307 K CB 0.666 32.965 32.500 -0.335 0.000 1.077 307 K HN 0.673 nan 8.250 nan 0.000 0.474 308 L N 2.889 123.971 121.223 -0.236 0.000 2.249 308 L HA 0.144 4.485 4.340 0.001 0.000 0.207 308 L C 0.722 177.504 176.870 -0.147 0.000 1.090 308 L CA 0.621 55.384 54.840 -0.128 0.000 0.802 308 L CB 0.046 42.084 42.059 -0.036 0.000 0.947 308 L HN 0.623 nan 8.230 nan 0.000 0.453 309 K N -0.871 119.365 120.400 -0.272 0.000 2.589 309 K HA 0.314 4.634 4.320 0.001 0.000 0.265 309 K C -1.536 174.759 176.600 -0.509 0.000 0.935 309 K CA -0.399 55.710 56.287 -0.298 0.000 0.850 309 K CB 2.095 34.502 32.500 -0.156 0.000 1.372 309 K HN -0.293 nan 8.250 nan 0.000 0.420 310 T N 1.644 115.923 114.554 -0.458 0.000 2.841 310 T HA 0.319 4.669 4.350 0.001 0.000 0.283 310 T C -0.388 173.968 174.700 -0.573 0.000 1.000 310 T CA -0.697 61.085 62.100 -0.530 0.000 0.977 310 T CB 1.459 70.085 68.868 -0.403 0.000 0.979 310 T HN 0.662 nan 8.240 nan 0.000 0.446 311 S N 2.715 117.881 115.700 -0.890 0.000 2.608 311 S HA 0.338 4.808 4.470 0.001 0.000 0.261 311 S C 0.195 174.473 174.600 -0.537 0.000 1.314 311 S CA -0.857 56.769 58.200 -0.958 0.000 0.992 311 S CB 0.375 62.477 63.200 -1.831 0.000 0.935 311 S HN 0.570 nan 8.310 nan 0.000 0.564 312 E N 0.670 120.628 120.200 -0.403 0.000 2.422 312 E HA 0.036 4.387 4.350 0.001 0.000 0.260 312 E C -0.044 176.407 176.600 -0.247 0.000 1.108 312 E CA 0.044 56.287 56.400 -0.262 0.000 0.943 312 E CB 0.259 29.843 29.700 -0.194 0.000 0.961 312 E HN 0.735 nan 8.360 nan 0.000 0.443 313 Q N 1.399 121.100 119.800 -0.166 0.000 2.288 313 Q HA 0.192 4.533 4.340 0.001 0.000 0.258 313 Q C -0.727 175.227 176.000 -0.077 0.000 0.957 313 Q CA -0.591 55.137 55.803 -0.124 0.000 0.919 313 Q CB 0.515 29.195 28.738 -0.097 0.000 1.185 313 Q HN 0.230 nan 8.270 nan 0.000 0.408 314 L N 2.879 124.082 121.223 -0.033 0.000 2.475 314 L HA 0.077 4.418 4.340 0.001 0.000 0.253 314 L C 0.939 177.841 176.870 0.053 0.000 1.198 314 L CA 0.390 55.251 54.840 0.034 0.000 0.814 314 L CB 0.601 42.746 42.059 0.143 0.000 1.134 314 L HN 0.788 nan 8.230 nan 0.000 0.478 315 D N -1.146 119.311 120.400 0.095 0.000 2.349 315 D HA -0.017 4.624 4.640 0.001 0.000 0.224 315 D C 0.022 176.401 176.300 0.133 0.000 1.029 315 D CA 0.104 54.164 54.000 0.101 0.000 0.879 315 D CB 0.040 40.908 40.800 0.113 0.000 0.906 315 D HN 0.596 nan 8.370 nan 0.000 0.528 316 Q N -1.889 118.009 119.800 0.163 0.000 2.590 316 Q HA 0.537 4.877 4.340 0.001 0.000 0.295 316 Q C -3.238 172.867 176.000 0.176 0.000 0.973 316 Q CA -2.235 53.682 55.803 0.190 0.000 0.768 316 Q CB 1.054 29.937 28.738 0.241 0.000 1.479 316 Q HN -0.275 nan 8.270 nan 0.000 0.419 317 P HA 0.052 nan 4.420 nan 0.000 0.267 317 P C -0.824 176.577 177.300 0.169 0.000 1.201 317 P CA 0.298 63.475 63.100 0.127 0.000 0.775 317 P CB 0.391 32.156 31.700 0.108 0.000 0.854 318 I N 1.457 122.121 120.570 0.157 0.000 2.315 318 I HA 0.076 4.247 4.170 0.001 0.000 0.291 318 I C 1.290 177.495 176.117 0.146 0.000 1.006 318 I CA 0.269 61.699 61.300 0.217 0.000 1.265 318 I CB 1.139 39.316 38.000 0.295 0.000 1.387 318 I HN 0.355 nan 8.210 nan 0.000 0.475 319 S N 4.200 119.986 115.700 0.144 0.000 2.511 319 S HA 0.568 5.039 4.470 0.001 0.000 0.214 319 S C 0.452 175.119 174.600 0.113 0.000 0.997 319 S CA 0.008 58.271 58.200 0.105 0.000 0.908 319 S CB 0.501 63.759 63.200 0.098 0.000 0.803 319 S HN 0.738 nan 8.310 nan 0.000 0.504 320 A N 0.163 123.059 122.820 0.128 0.000 2.597 320 A HA 0.669 4.989 4.320 0.001 0.000 0.292 320 A C -0.746 176.902 177.584 0.106 0.000 1.057 320 A CA -0.483 51.624 52.037 0.116 0.000 0.674 320 A CB 0.659 19.717 19.000 0.097 0.000 1.278 320 A HN 1.272 nan 8.150 nan 0.000 0.416 321 C N -0.635 118.719 119.300 0.090 0.000 3.311 321 C HA 0.984 5.445 4.460 0.001 0.000 0.325 321 C C -0.320 174.681 174.990 0.018 0.000 1.352 321 C CA -0.479 58.533 59.018 -0.010 0.000 1.308 321 C CB 0.614 28.389 27.740 0.058 0.000 1.619 321 C HN 2.629 nan 8.230 nan 0.000 0.469 322 C N -0.400 118.842 119.300 -0.097 0.000 3.275 322 C HA 0.842 5.303 4.460 0.001 0.000 0.340 322 C C -1.435 173.539 174.990 -0.027 0.000 1.366 322 C CA -0.711 58.343 59.018 0.060 0.000 1.227 322 C CB 0.220 28.080 27.740 0.200 0.000 1.512 322 C HN 1.013 nan 8.230 nan 0.000 0.461 323 F N 2.558 122.704 119.950 0.326 0.000 2.492 323 F HA 0.544 5.071 4.527 0.001 0.000 0.327 323 F C 0.996 176.850 175.800 0.091 0.000 1.079 323 F CA -0.217 57.899 58.000 0.193 0.000 0.967 323 F CB 1.365 40.390 39.000 0.042 0.000 1.169 323 F HN 0.935 nan 8.300 nan 0.000 0.472 324 N N 0.998 119.588 118.700 -0.182 0.000 2.263 324 N HA -0.081 4.659 4.740 0.001 0.000 0.239 324 N C 0.988 176.361 175.510 -0.228 0.000 1.317 324 N CA 0.225 52.925 53.050 -0.584 0.000 0.909 324 N CB 0.046 37.822 38.487 -1.184 0.000 1.171 324 N HN 0.874 nan 8.380 nan 0.000 0.492 325 H N -0.866 118.098 119.070 -0.176 0.000 2.422 325 H HA -0.094 4.462 4.556 0.001 0.000 0.298 325 H C 0.801 176.046 175.328 -0.138 0.000 1.098 325 H CA 2.062 58.047 56.048 -0.105 0.000 1.315 325 H CB -0.373 29.332 29.762 -0.095 0.000 1.382 325 H HN 0.735 nan 8.280 nan 0.000 0.523 326 N N -0.561 117.717 118.700 -0.703 0.000 2.236 326 N HA 0.110 4.851 4.740 0.001 0.000 0.196 326 N C 1.415 176.646 175.510 -0.465 0.000 1.114 326 N CA 0.392 53.156 53.050 -0.476 0.000 0.859 326 N CB 0.303 38.493 38.487 -0.494 0.000 0.982 326 N HN 0.636 nan 8.380 nan 0.000 0.493 327 G N 0.656 109.155 108.800 -0.501 0.000 2.155 327 G HA2 -0.367 3.594 3.960 0.001 0.000 0.257 327 G HA3 -0.367 3.594 3.960 0.001 0.000 0.257 327 G C 0.758 175.551 174.900 -0.177 0.000 0.983 327 G CA 0.458 45.192 45.100 -0.610 0.000 0.676 327 G HN 0.416 nan 8.290 nan 0.000 0.528 328 N N -0.130 118.450 118.700 -0.199 0.000 2.459 328 N HA 0.081 4.822 4.740 0.001 0.000 0.181 328 N C 0.906 176.340 175.510 -0.127 0.000 1.046 328 N CA 1.032 53.998 53.050 -0.140 0.000 0.904 328 N CB 0.093 38.456 38.487 -0.207 0.000 0.964 328 N HN 0.633 nan 8.380 nan 0.000 0.444 329 I N -0.140 120.369 120.570 -0.102 0.000 2.498 329 I HA 0.252 4.422 4.170 0.001 0.000 0.290 329 I C -1.007 175.245 176.117 0.224 0.000 1.032 329 I CA -0.946 60.362 61.300 0.013 0.000 1.073 329 I CB 1.996 39.938 38.000 -0.097 0.000 1.251 329 I HN -0.202 nan 8.210 nan 0.000 0.426 330 F N 6.113 126.149 119.950 0.144 0.000 2.427 330 F HA 0.802 5.330 4.527 0.001 0.000 0.346 330 F C -0.166 175.739 175.800 0.175 0.000 1.120 330 F CA -0.414 57.590 58.000 0.006 0.000 1.033 330 F CB 1.058 40.014 39.000 -0.074 0.000 1.126 330 F HN 0.506 nan 8.300 nan 0.000 0.462 331 A N 6.072 128.665 122.820 -0.378 0.000 2.330 331 A HA 0.697 5.017 4.320 0.001 0.000 0.327 331 A C -1.935 175.340 177.584 -0.514 0.000 1.155 331 A CA -0.499 51.377 52.037 -0.269 0.000 0.803 331 A CB 0.604 19.578 19.000 -0.044 0.000 1.208 331 A HN 0.902 nan 8.150 nan 0.000 0.477 332 Y N -0.721 119.318 120.300 -0.435 0.000 2.504 332 Y HA 0.774 5.324 4.550 0.001 0.000 0.344 332 Y C -0.322 175.549 175.900 -0.048 0.000 1.023 332 Y CA -1.325 56.624 58.100 -0.252 0.000 1.020 332 Y CB 1.176 39.528 38.460 -0.180 0.000 1.282 332 Y HN 0.852 nan 8.280 nan 0.000 0.454 333 A N 2.027 124.883 122.820 0.059 0.000 2.288 333 A HA 0.609 4.929 4.320 0.001 0.000 0.320 333 A C -0.448 177.212 177.584 0.127 0.000 1.217 333 A CA -0.618 51.412 52.037 -0.012 0.000 0.840 333 A CB 0.858 19.862 19.000 0.007 0.000 1.179 333 A HN 0.837 nan 8.150 nan 0.000 0.504 334 S N 2.227 117.986 115.700 0.097 0.000 2.404 334 S HA 0.634 5.105 4.470 0.001 0.000 0.309 334 S C -0.337 174.381 174.600 0.197 0.000 1.076 334 S CA -0.181 58.166 58.200 0.246 0.000 1.095 334 S CB -0.242 63.197 63.200 0.398 0.000 0.972 334 S HN 0.755 nan 8.310 nan 0.000 0.484 335 S N 3.371 119.192 115.700 0.200 0.000 2.535 335 S HA 0.304 4.774 4.470 0.001 0.000 0.272 335 S C -1.586 173.156 174.600 0.237 0.000 1.149 335 S CA -0.632 57.687 58.200 0.198 0.000 0.888 335 S CB 0.771 64.060 63.200 0.149 0.000 1.110 335 S HN 0.725 nan 8.310 nan 0.000 0.463 336 Y N 3.468 123.865 120.300 0.163 0.000 2.610 336 Y HA 0.118 4.669 4.550 0.001 0.000 0.332 336 Y C 1.038 177.010 175.900 0.120 0.000 1.201 336 Y CA 0.048 58.247 58.100 0.165 0.000 1.465 336 Y CB 0.542 39.156 38.460 0.256 0.000 1.283 336 Y HN 0.789 nan 8.280 nan 0.000 0.563 337 D N 3.632 123.680 120.400 -0.588 0.000 2.431 337 D HA -0.052 4.589 4.640 0.001 0.000 0.213 337 D C 0.710 176.731 176.300 -0.465 0.000 1.130 337 D CA -0.134 53.623 54.000 -0.405 0.000 0.834 337 D CB -0.550 40.142 40.800 -0.179 0.000 0.985 337 D HN 0.861 nan 8.370 nan 0.000 0.504 338 W N 1.460 121.902 121.300 -1.429 0.000 2.560 338 W HA -0.334 4.327 4.660 0.001 0.000 0.279 338 W C 0.996 177.283 176.519 -0.386 0.000 1.090 338 W CA 0.889 57.767 57.345 -0.779 0.000 0.535 338 W CB -1.780 27.411 29.460 -0.448 0.000 2.121 338 W HN 0.250 nan 8.180 nan 0.000 1.314 339 S N -0.476 115.035 115.700 -0.315 0.000 2.469 339 S HA -0.114 4.356 4.470 0.001 0.000 0.238 339 S C 1.152 175.695 174.600 -0.095 0.000 0.998 339 S CA 1.453 59.585 58.200 -0.113 0.000 0.957 339 S CB -0.095 63.075 63.200 -0.051 0.000 0.764 339 S HN 0.447 nan 8.310 nan 0.000 0.514 340 K N 0.959 121.303 120.400 -0.092 0.000 2.506 340 K HA 0.415 4.735 4.320 0.001 0.000 0.204 340 K C 0.794 177.335 176.600 -0.099 0.000 1.045 340 K CA 0.157 56.313 56.287 -0.219 0.000 1.074 340 K CB 0.887 32.962 32.500 -0.707 0.000 0.842 340 K HN 0.445 nan 8.250 nan 0.000 0.514 341 G N 1.969 110.673 108.800 -0.161 0.000 2.741 341 G HA2 -0.331 3.629 3.960 0.001 0.000 0.222 341 G HA3 -0.331 3.629 3.960 0.001 0.000 0.222 341 G C 0.470 174.988 174.900 -0.636 0.000 1.364 341 G CA 0.154 45.064 45.100 -0.317 0.000 0.866 341 G HN 0.487 nan 8.290 nan 0.000 0.555 342 H N 0.282 119.025 119.070 -0.545 0.000 2.457 342 H HA 0.059 4.615 4.556 0.001 0.000 0.294 342 H C 1.957 177.146 175.328 -0.232 0.000 1.064 342 H CA 1.933 57.687 56.048 -0.491 0.000 1.330 342 H CB -0.170 29.618 29.762 0.044 0.000 1.395 342 H HN 0.734 nan 8.280 nan 0.000 0.541 343 E N -0.106 119.627 120.200 -0.778 0.000 2.338 343 E HA -0.054 4.297 4.350 0.001 0.000 0.197 343 E C 0.441 176.682 176.600 -0.600 0.000 1.007 343 E CA 0.512 56.497 56.400 -0.692 0.000 0.849 343 E CB 0.021 29.355 29.700 -0.610 0.000 0.774 343 E HN 0.456 nan 8.360 nan 0.000 0.506 344 F N -1.067 118.616 119.950 -0.445 0.000 2.653 344 F HA 0.135 4.663 4.527 0.001 0.000 0.304 344 F C 0.333 175.652 175.800 -0.803 0.000 1.092 344 F CA -0.553 57.156 58.000 -0.486 0.000 1.279 344 F CB 0.107 38.892 39.000 -0.358 0.000 1.044 344 F HN -0.053 nan 8.300 nan 0.000 0.564 345 Y N 2.054 121.924 120.300 -0.717 0.000 2.436 345 Y HA 0.227 4.777 4.550 0.001 0.000 0.336 345 Y C 0.157 175.877 175.900 -0.300 0.000 1.049 345 Y CA -0.542 57.202 58.100 -0.593 0.000 1.294 345 Y CB 0.271 38.557 38.460 -0.290 0.000 1.179 345 Y HN -0.106 nan 8.280 nan 0.000 0.520 346 N N 9.061 127.452 118.700 -0.515 0.000 2.626 346 N HA 0.267 5.008 4.740 0.001 0.000 0.242 346 N C -2.149 173.006 175.510 -0.591 0.000 1.005 346 N CA -2.555 50.221 53.050 -0.457 0.000 0.905 346 N CB 1.224 39.560 38.487 -0.251 0.000 1.128 346 N HN 0.426 nan 8.380 nan 0.000 0.512 347 P HA -0.073 nan 4.420 nan 0.000 0.231 347 P C 0.319 177.476 177.300 -0.238 0.000 1.158 347 P CA 1.045 63.772 63.100 -0.622 0.000 0.763 347 P CB 0.569 32.016 31.700 -0.422 0.000 0.805 348 Q N -0.797 118.885 119.800 -0.197 0.000 2.352 348 Q HA 0.093 4.434 4.340 0.001 0.000 0.212 348 Q C 0.875 176.826 176.000 -0.083 0.000 0.888 348 Q CA -0.043 55.694 55.803 -0.109 0.000 0.934 348 Q CB 0.221 28.904 28.738 -0.091 0.000 1.093 348 Q HN 0.158 nan 8.270 nan 0.000 0.523 349 K N 1.967 122.315 120.400 -0.087 0.000 2.412 349 K HA 0.042 4.363 4.320 0.001 0.000 0.281 349 K C -0.401 176.178 176.600 -0.035 0.000 1.027 349 K CA 0.003 56.271 56.287 -0.031 0.000 0.989 349 K CB 0.565 33.063 32.500 -0.004 0.000 0.935 349 K HN -0.177 nan 8.250 nan 0.000 0.475 350 K N 3.010 123.372 120.400 -0.064 0.000 2.295 350 K HA 0.075 4.395 4.320 0.001 0.000 0.270 350 K C -0.433 175.956 176.600 -0.352 0.000 1.011 350 K CA -0.363 55.767 56.287 -0.262 0.000 0.953 350 K CB 0.554 32.789 32.500 -0.442 0.000 0.956 350 K HN 0.627 nan 8.250 nan 0.000 0.477 351 N N 2.261 120.716 118.700 -0.408 0.000 2.487 351 N HA 0.260 5.001 4.740 0.001 0.000 0.292 351 N C -1.278 173.861 175.510 -0.619 0.000 1.108 351 N CA -0.187 52.681 53.050 -0.302 0.000 0.956 351 N CB 1.048 39.481 38.487 -0.090 0.000 1.176 351 N HN 0.360 nan 8.380 nan 0.000 0.484 352 Y N 0.230 120.400 120.300 -0.217 0.000 2.512 352 Y HA 0.532 5.083 4.550 0.001 0.000 0.348 352 Y C -0.009 175.494 175.900 -0.661 0.000 0.990 352 Y CA -0.832 56.951 58.100 -0.530 0.000 1.033 352 Y CB 1.827 39.729 38.460 -0.930 0.000 1.259 352 Y HN 0.235 nan 8.280 nan 0.000 0.461 353 I N 3.133 123.367 120.570 -0.561 0.000 2.378 353 I HA 0.383 4.554 4.170 0.001 0.000 0.291 353 I C -1.170 174.533 176.117 -0.690 0.000 0.992 353 I CA -0.417 60.532 61.300 -0.584 0.000 1.154 353 I CB 1.041 38.721 38.000 -0.533 0.000 1.315 353 I HN 0.415 nan 8.210 nan 0.000 0.448 354 F N 6.088 125.738 119.950 -0.500 0.000 2.492 354 F HA 0.637 5.164 4.527 0.001 0.000 0.327 354 F C -0.220 175.320 175.800 -0.434 0.000 1.079 354 F CA -0.876 56.793 58.000 -0.553 0.000 0.967 354 F CB 1.670 40.119 39.000 -0.918 0.000 1.169 354 F HN 0.093 nan 8.300 nan 0.000 0.472 355 L N 2.761 123.998 121.223 0.023 0.000 2.362 355 L HA 0.697 5.038 4.340 0.001 0.000 0.271 355 L C -0.636 176.473 176.870 0.398 0.000 1.002 355 L CA -0.879 54.065 54.840 0.173 0.000 0.818 355 L CB 2.453 44.574 42.059 0.102 0.000 1.298 355 L HN 0.608 nan 8.230 nan 0.000 0.420 356 R N 1.316 122.154 120.500 0.564 0.000 2.604 356 R HA 0.358 4.698 4.340 0.001 0.000 0.281 356 R C -1.152 175.374 176.300 0.376 0.000 1.020 356 R CA -0.736 55.692 56.100 0.547 0.000 0.899 356 R CB 1.589 32.194 30.300 0.508 0.000 1.205 356 R HN 0.534 nan 8.270 nan 0.000 0.450 357 N N 2.900 121.695 118.700 0.158 0.000 2.508 357 N HA 0.135 4.875 4.740 0.001 0.000 0.253 357 N C -0.306 175.240 175.510 0.059 0.000 1.145 357 N CA 0.195 53.198 53.050 -0.079 0.000 0.973 357 N CB 1.585 39.915 38.487 -0.261 0.000 1.305 357 N HN 0.642 nan 8.380 nan 0.000 0.506 358 A N 1.040 123.922 122.820 0.103 0.000 2.430 358 A HA 0.357 4.678 4.320 0.001 0.000 0.243 358 A C 1.824 179.381 177.584 -0.046 0.000 1.254 358 A CA 0.147 52.217 52.037 0.055 0.000 0.914 358 A CB 0.136 19.130 19.000 -0.011 0.000 0.998 358 A HN 0.513 nan 8.150 nan 0.000 0.515 359 A N 0.376 123.203 122.820 0.011 0.000 1.908 359 A HA -0.162 4.159 4.320 0.001 0.000 0.218 359 A C 1.848 179.379 177.584 -0.088 0.000 1.181 359 A CA 1.724 53.769 52.037 0.012 0.000 0.627 359 A CB -0.265 18.786 19.000 0.085 0.000 0.818 359 A HN 0.397 nan 8.150 nan 0.000 0.445 360 E N -0.294 119.861 120.200 -0.075 0.000 2.285 360 E HA -0.090 4.261 4.350 0.001 0.000 0.194 360 E C 1.742 178.263 176.600 -0.132 0.000 0.997 360 E CA 0.748 57.078 56.400 -0.116 0.000 0.845 360 E CB -0.231 29.428 29.700 -0.069 0.000 0.782 360 E HN 0.773 nan 8.360 nan 0.000 0.491 361 E N 0.186 120.335 120.200 -0.086 0.000 2.268 361 E HA -0.066 4.284 4.350 0.001 0.000 0.195 361 E C 1.392 177.912 176.600 -0.134 0.000 0.995 361 E CA 0.414 56.799 56.400 -0.025 0.000 0.836 361 E CB 0.130 29.928 29.700 0.163 0.000 0.763 361 E HN 0.125 nan 8.360 nan 0.000 0.491 362 L N 0.301 121.336 121.223 -0.313 0.000 2.667 362 L HA 0.127 4.467 4.340 0.001 0.000 0.232 362 L C 0.597 177.213 176.870 -0.424 0.000 1.138 362 L CA -0.001 54.603 54.840 -0.393 0.000 0.921 362 L CB 0.447 42.176 42.059 -0.550 0.000 1.180 362 L HN -0.173 nan 8.230 nan 0.000 0.487 363 K N 1.980 122.073 120.400 -0.511 0.000 2.264 363 K HA 0.335 4.656 4.320 0.001 0.000 0.277 363 K C -2.384 173.990 176.600 -0.376 0.000 1.067 363 K CA -1.819 54.015 56.287 -0.755 0.000 0.900 363 K CB 1.169 33.193 32.500 -0.793 0.000 1.124 363 K HN -0.182 nan 8.250 nan 0.000 0.469 364 P HA 0.080 nan 4.420 nan 0.000 0.271 364 P C -0.588 176.625 177.300 -0.145 0.000 1.216 364 P CA -0.266 62.738 63.100 -0.160 0.000 0.771 364 P CB 0.759 32.397 31.700 -0.104 0.000 0.864 365 R N 0.000 120.435 120.500 -0.109 0.000 2.786 365 R HA 0.000 4.341 4.340 0.001 0.000 0.208 365 R CA 0.000 56.046 56.100 -0.090 0.000 0.921 365 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 365 R HN 0.000 nan 8.270 nan 0.000 0.535