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 2xg6_1_F DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQHGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP FLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.697 177.584 0.188 0.000 1.274 1 A CA 0.000 52.160 52.037 0.204 0.000 0.836 1 A CB 0.000 19.160 19.000 0.267 0.000 0.831 2 E N 2.691 122.966 120.200 0.124 0.000 2.341 2 E HA 0.173 4.523 4.350 -0.000 0.000 0.256 2 E C 0.619 177.294 176.600 0.124 0.000 1.125 2 E CA 0.418 56.889 56.400 0.117 0.000 0.939 2 E CB 0.062 29.806 29.700 0.074 0.000 0.991 2 E HN 0.687 nan 8.360 nan 0.000 0.458 3 I N 2.362 123.028 120.570 0.159 0.000 4.018 3 I HA 0.286 4.456 4.170 -0.000 0.000 0.337 3 I C -0.551 175.683 176.117 0.196 0.000 1.327 3 I CA -0.487 60.904 61.300 0.152 0.000 1.100 3 I CB 0.278 38.373 38.000 0.157 0.000 1.025 3 I HN 0.295 nan 8.210 nan 0.000 0.396 4 Y N 1.840 122.162 120.300 0.037 0.000 2.358 4 Y HA 0.569 5.119 4.550 -0.000 0.000 0.324 4 Y C -1.651 174.260 175.900 0.018 0.000 1.123 4 Y CA -0.994 57.117 58.100 0.019 0.000 1.067 4 Y CB 1.283 39.746 38.460 0.005 0.000 1.230 4 Y HN 0.117 nan 8.280 nan 0.000 0.429 5 N N 5.765 124.257 118.700 -0.348 0.000 2.599 5 N HA 0.334 5.074 4.740 -0.000 0.000 0.283 5 N C -2.163 173.150 175.510 -0.328 0.000 1.160 5 N CA -0.457 52.472 53.050 -0.203 0.000 0.869 5 N CB 1.399 39.842 38.487 -0.075 0.000 1.448 5 N HN 0.779 nan 8.380 nan 0.000 0.535 6 K N 2.286 122.515 120.400 -0.285 0.000 2.583 6 K HA 0.184 4.504 4.320 -0.000 0.000 0.260 6 K C -1.306 175.263 176.600 -0.051 0.000 0.931 6 K CA -0.374 55.769 56.287 -0.241 0.000 0.849 6 K CB 0.739 32.952 32.500 -0.478 0.000 1.347 6 K HN 0.380 nan 8.250 nan 0.000 0.425 7 D N 3.082 123.467 120.400 -0.025 0.000 2.692 7 D HA -0.228 4.412 4.640 -0.000 0.000 0.233 7 D C 0.760 177.084 176.300 0.041 0.000 1.172 7 D CA 2.120 56.130 54.000 0.016 0.000 0.636 7 D CB -0.986 39.835 40.800 0.034 0.000 1.028 7 D HN 1.075 nan 8.370 nan 0.000 0.419 8 G N -0.064 108.755 108.800 0.031 0.000 2.377 8 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.250 8 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.250 8 G C 0.351 175.294 174.900 0.073 0.000 1.039 8 G CA 0.554 45.680 45.100 0.044 0.000 0.625 8 G HN 0.623 nan 8.290 nan 0.000 0.526 9 N N 1.329 120.094 118.700 0.108 0.000 2.514 9 N HA 0.511 5.251 4.740 -0.000 0.000 0.277 9 N C -0.020 175.611 175.510 0.202 0.000 1.126 9 N CA 0.253 53.392 53.050 0.149 0.000 0.978 9 N CB 0.372 38.956 38.487 0.162 0.000 1.106 9 N HN 0.717 nan 8.380 nan 0.000 0.461 10 K N 1.914 122.419 120.400 0.175 0.000 2.422 10 K HA 0.610 4.930 4.320 -0.000 0.000 0.251 10 K C -1.635 175.073 176.600 0.180 0.000 0.933 10 K CA -1.037 55.370 56.287 0.200 0.000 0.798 10 K CB 1.906 34.471 32.500 0.109 0.000 1.238 10 K HN 0.354 nan 8.250 nan 0.000 0.428 11 L N 1.823 123.174 121.223 0.212 0.000 2.406 11 L HA 0.407 4.747 4.340 -0.000 0.000 0.272 11 L C -1.713 175.260 176.870 0.171 0.000 0.980 11 L CA -0.222 54.703 54.840 0.141 0.000 0.831 11 L CB 1.806 43.881 42.059 0.027 0.000 1.253 11 L HN 0.802 nan 8.230 nan 0.000 0.406 12 D N 4.725 125.234 120.400 0.183 0.000 2.349 12 D HA 0.309 4.949 4.640 -0.000 0.000 0.232 12 D C -1.365 175.132 176.300 0.329 0.000 1.071 12 D CA -0.224 53.894 54.000 0.196 0.000 0.832 12 D CB 1.643 42.503 40.800 0.099 0.000 1.086 12 D HN 0.465 nan 8.370 nan 0.000 0.504 13 L N 6.464 127.898 121.223 0.351 0.000 2.280 13 L HA 0.484 4.824 4.340 -0.000 0.000 0.287 13 L C -1.567 175.578 176.870 0.458 0.000 1.023 13 L CA -0.558 54.546 54.840 0.440 0.000 0.819 13 L CB 0.466 42.746 42.059 0.368 0.000 1.212 13 L HN 0.347 nan 8.230 nan 0.000 0.420 14 Y N 3.087 123.399 120.300 0.021 0.000 2.581 14 Y HA 1.013 5.563 4.550 -0.000 0.000 0.345 14 Y C -0.232 175.229 175.900 -0.733 0.000 1.036 14 Y CA -0.920 56.887 58.100 -0.488 0.000 1.042 14 Y CB 1.454 39.736 38.460 -0.298 0.000 1.289 14 Y HN 0.779 nan 8.280 nan 0.000 0.471 15 G N 1.301 109.264 108.800 -1.395 0.000 2.342 15 G HA2 0.559 4.519 3.960 -0.000 0.000 0.297 15 G HA3 0.559 4.519 3.960 -0.000 0.000 0.297 15 G C -2.247 172.327 174.900 -0.544 0.000 1.313 15 G CA -0.973 43.623 45.100 -0.839 0.000 0.830 15 G HN 1.069 nan 8.290 nan 0.000 0.506 16 K N -1.677 118.615 120.400 -0.180 0.000 2.568 16 K HA 0.720 5.040 4.320 -0.000 0.000 0.273 16 K C -1.797 174.781 176.600 -0.037 0.000 0.951 16 K CA -0.977 55.283 56.287 -0.045 0.000 0.854 16 K CB 2.261 34.693 32.500 -0.114 0.000 1.424 16 K HN 0.500 nan 8.250 nan 0.000 0.427 17 V N 1.522 121.461 119.914 0.041 0.000 2.357 17 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 17 V C -0.747 175.277 176.094 -0.116 0.000 1.018 17 V CA -0.444 61.824 62.300 -0.054 0.000 0.841 17 V CB 1.051 32.893 31.823 0.032 0.000 0.991 17 V HN 0.873 nan 8.190 nan 0.000 0.437 18 E N 3.850 123.856 120.200 -0.322 0.000 2.070 18 E HA 0.474 4.824 4.350 -0.000 0.000 0.261 18 E C 0.559 177.061 176.600 -0.162 0.000 0.926 18 E CA -0.403 55.831 56.400 -0.277 0.000 0.760 18 E CB 0.939 30.305 29.700 -0.558 0.000 1.133 18 E HN 0.813 nan 8.360 nan 0.000 0.420 19 G N 4.730 113.488 108.800 -0.070 0.000 2.588 19 G HA2 0.288 4.248 3.960 -0.000 0.000 0.297 19 G HA3 0.288 4.248 3.960 -0.000 0.000 0.297 19 G C -0.752 174.130 174.900 -0.030 0.000 0.874 19 G CA -0.207 44.871 45.100 -0.037 0.000 1.607 19 G HN 0.378 nan 8.290 nan 0.000 0.486 20 L N 2.182 123.407 121.223 0.003 0.000 2.346 20 L HA 0.720 5.060 4.340 -0.000 0.000 0.274 20 L C -0.776 176.119 176.870 0.041 0.000 1.007 20 L CA -1.332 53.526 54.840 0.029 0.000 0.818 20 L CB 2.188 44.316 42.059 0.116 0.000 1.284 20 L HN 0.573 nan 8.230 nan 0.000 0.424 21 H N 2.838 121.861 119.070 -0.078 0.000 2.934 21 H HA 0.458 5.014 4.556 -0.000 0.000 0.340 21 H C -1.608 173.590 175.328 -0.217 0.000 1.008 21 H CA -0.459 55.472 56.048 -0.196 0.000 1.317 21 H CB 0.854 30.420 29.762 -0.327 0.000 1.670 21 H HN 0.481 nan 8.280 nan 0.000 0.516 22 Y N 4.218 124.193 120.300 -0.541 0.000 2.304 22 Y HA 0.254 4.804 4.550 -0.000 0.000 0.328 22 Y C -0.632 175.011 175.900 -0.429 0.000 1.123 22 Y CA -0.455 57.454 58.100 -0.319 0.000 1.218 22 Y CB 0.293 38.660 38.460 -0.154 0.000 1.207 22 Y HN 0.483 nan 8.280 nan 0.000 0.495 23 F N 1.159 121.222 119.950 0.188 0.000 2.495 23 F HA 0.623 5.150 4.527 -0.000 0.000 0.327 23 F C 0.195 176.000 175.800 0.008 0.000 1.103 23 F CA -0.705 57.363 58.000 0.114 0.000 0.949 23 F CB 2.115 41.160 39.000 0.076 0.000 1.142 23 F HN 0.307 nan 8.300 nan 0.000 0.457 24 S N 1.063 116.884 115.700 0.203 0.000 2.578 24 S HA 0.262 4.732 4.470 -0.000 0.000 0.272 24 S C -0.267 174.373 174.600 0.067 0.000 1.145 24 S CA -0.634 57.611 58.200 0.075 0.000 0.835 24 S CB 1.224 64.451 63.200 0.046 0.000 1.104 24 S HN 0.556 nan 8.310 nan 0.000 0.458 25 D N 1.423 121.840 120.400 0.029 0.000 2.183 25 D HA 0.055 4.695 4.640 -0.000 0.000 0.203 25 D C 0.574 176.889 176.300 0.024 0.000 0.969 25 D CA 0.857 54.873 54.000 0.027 0.000 0.842 25 D CB -0.088 40.721 40.800 0.015 0.000 0.957 25 D HN 0.446 nan 8.370 nan 0.000 0.484 26 N N 1.486 120.196 118.700 0.015 0.000 2.452 26 N HA -0.066 4.674 4.740 -0.000 0.000 0.266 26 N C 0.280 175.805 175.510 0.025 0.000 1.209 26 N CA 0.196 53.253 53.050 0.012 0.000 0.929 26 N CB 0.863 39.349 38.487 -0.002 0.000 1.063 26 N HN -0.013 nan 8.380 nan 0.000 0.472 27 D N 1.223 121.634 120.400 0.018 0.000 2.183 27 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 27 D C 1.580 177.885 176.300 0.007 0.000 0.969 27 D CA 1.101 55.113 54.000 0.019 0.000 0.842 27 D CB 0.066 40.874 40.800 0.014 0.000 0.957 27 D HN 0.673 nan 8.370 nan 0.000 0.484 28 S N 0.115 115.814 115.700 -0.001 0.000 2.453 28 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 28 S C 1.314 175.911 174.600 -0.005 0.000 1.005 28 S CA 0.586 58.778 58.200 -0.013 0.000 0.949 28 S CB 0.097 63.283 63.200 -0.022 0.000 0.774 28 S HN -0.048 nan 8.310 nan 0.000 0.510 29 K N 1.955 122.373 120.400 0.030 0.000 2.981 29 K HA 0.357 4.677 4.320 -0.000 0.000 0.213 29 K C -0.931 175.761 176.600 0.152 0.000 1.154 29 K CA -0.008 56.343 56.287 0.107 0.000 1.111 29 K CB 0.118 32.692 32.500 0.123 0.000 0.975 29 K HN 0.409 nan 8.250 nan 0.000 0.462 30 D N -0.149 120.284 120.400 0.055 0.000 2.964 30 D HA 0.520 5.160 4.640 -0.000 0.000 0.234 30 D C -0.153 176.094 176.300 -0.089 0.000 1.223 30 D CA 0.056 54.074 54.000 0.031 0.000 0.889 30 D CB 2.065 42.908 40.800 0.071 0.000 1.609 30 D HN 0.337 nan 8.370 nan 0.000 0.523 31 G N 2.743 111.371 108.800 -0.286 0.000 2.325 31 G HA2 0.039 3.999 3.960 -0.000 0.000 0.285 31 G HA3 0.039 3.999 3.960 -0.000 0.000 0.285 31 G C -1.194 173.261 174.900 -0.742 0.000 1.303 31 G CA -0.723 44.122 45.100 -0.425 0.000 0.970 31 G HN 0.491 nan 8.290 nan 0.000 0.490 32 D N 0.420 120.570 120.400 -0.417 0.000 2.417 32 D HA 0.424 5.064 4.640 -0.000 0.000 0.250 32 D C 0.666 176.822 176.300 -0.241 0.000 1.166 32 D CA 0.148 53.992 54.000 -0.260 0.000 0.881 32 D CB 0.738 41.498 40.800 -0.066 0.000 1.164 32 D HN 0.327 nan 8.370 nan 0.000 0.467 33 K N 2.760 123.022 120.400 -0.229 0.000 2.758 33 K HA 0.132 4.452 4.320 -0.000 0.000 0.208 33 K C -0.194 176.395 176.600 -0.020 0.000 1.091 33 K CA -0.376 55.780 56.287 -0.219 0.000 1.059 33 K CB 0.436 32.647 32.500 -0.481 0.000 0.801 33 K HN 0.363 nan 8.250 nan 0.000 0.470 34 T N 2.374 116.929 114.554 0.002 0.000 2.902 34 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 34 T C -0.227 174.539 174.700 0.111 0.000 1.012 34 T CA 0.547 62.672 62.100 0.042 0.000 1.151 34 T CB -0.114 68.754 68.868 0.001 0.000 0.946 34 T HN 0.282 nan 8.240 nan 0.000 0.542 35 Y N 1.589 121.853 120.300 -0.060 0.000 2.689 35 Y HA 0.826 5.376 4.550 -0.000 0.000 0.333 35 Y C -1.066 174.788 175.900 -0.077 0.000 1.190 35 Y CA -1.863 56.185 58.100 -0.086 0.000 1.063 35 Y CB 1.598 39.990 38.460 -0.114 0.000 1.294 35 Y HN 0.472 nan 8.280 nan 0.000 0.466 36 M N 2.491 122.028 119.600 -0.106 0.000 2.421 36 M HA 0.571 5.051 4.480 -0.000 0.000 0.287 36 M C -2.270 173.959 176.300 -0.119 0.000 1.183 36 M CA -0.432 54.759 55.300 -0.182 0.000 0.916 36 M CB 2.733 35.282 32.600 -0.085 0.000 1.701 36 M HN 1.056 nan 8.290 nan 0.000 0.470 37 R N 2.555 122.957 120.500 -0.162 0.000 2.854 37 R HA 0.882 5.222 4.340 -0.000 0.000 0.271 37 R C -1.624 174.512 176.300 -0.273 0.000 0.994 37 R CA -1.037 54.925 56.100 -0.231 0.000 0.945 37 R CB 2.794 32.964 30.300 -0.217 0.000 1.194 37 R HN 0.726 nan 8.270 nan 0.000 0.476 38 L N -0.126 120.857 121.223 -0.400 0.000 2.543 38 L HA 0.707 5.047 4.340 -0.000 0.000 0.265 38 L C -1.181 175.252 176.870 -0.729 0.000 0.945 38 L CA -0.005 54.595 54.840 -0.401 0.000 0.869 38 L CB 2.340 44.337 42.059 -0.104 0.000 1.294 38 L HN 0.798 nan 8.230 nan 0.000 0.405 39 G N 2.674 110.962 108.800 -0.852 0.000 2.687 39 G HA2 0.710 4.670 3.960 -0.000 0.000 0.291 39 G HA3 0.710 4.670 3.960 -0.000 0.000 0.291 39 G C -1.908 172.919 174.900 -0.121 0.000 1.420 39 G CA -0.472 44.147 45.100 -0.803 0.000 0.796 39 G HN 0.796 nan 8.290 nan 0.000 0.485 40 F N -1.133 119.027 119.950 0.351 0.000 2.581 40 F HA 0.791 5.318 4.527 -0.000 0.000 0.311 40 F C -0.586 175.432 175.800 0.363 0.000 1.113 40 F CA -1.353 56.910 58.000 0.439 0.000 0.935 40 F CB 1.968 41.139 39.000 0.284 0.000 1.232 40 F HN 0.248 nan 8.300 nan 0.000 0.445 41 K N 2.271 122.941 120.400 0.451 0.000 2.183 41 K HA 0.692 5.012 4.320 -0.000 0.000 0.274 41 K C -0.032 176.744 176.600 0.293 0.000 1.009 41 K CA -0.696 55.732 56.287 0.234 0.000 0.888 41 K CB 1.948 34.447 32.500 -0.002 0.000 1.078 41 K HN 0.964 nan 8.250 nan 0.000 0.459 42 G N 1.445 110.422 108.800 0.296 0.000 2.511 42 G HA2 0.556 4.516 3.960 -0.000 0.000 0.318 42 G HA3 0.556 4.516 3.960 -0.000 0.000 0.318 42 G C -1.392 173.628 174.900 0.199 0.000 1.210 42 G CA -0.320 44.908 45.100 0.213 0.000 0.969 42 G HN 0.588 nan 8.290 nan 0.000 0.484 43 E N -1.099 119.196 120.200 0.157 0.000 2.422 43 E HA 0.484 4.834 4.350 -0.000 0.000 0.289 43 E C -1.819 174.857 176.600 0.125 0.000 0.985 43 E CA -0.621 55.879 56.400 0.166 0.000 0.812 43 E CB 2.255 32.038 29.700 0.138 0.000 1.226 43 E HN 0.538 nan 8.360 nan 0.000 0.419 44 T N 2.671 117.297 114.554 0.120 0.000 2.921 44 T HA 0.266 4.616 4.350 -0.000 0.000 0.297 44 T C -1.331 173.420 174.700 0.084 0.000 1.013 44 T CA -0.683 61.471 62.100 0.090 0.000 0.990 44 T CB 1.392 70.302 68.868 0.070 0.000 1.023 44 T HN 0.322 nan 8.240 nan 0.000 0.447 45 Q N 3.502 123.343 119.800 0.068 0.000 2.296 45 Q HA 0.270 4.610 4.340 -0.000 0.000 0.262 45 Q C 0.998 177.030 176.000 0.052 0.000 0.981 45 Q CA -0.001 55.835 55.803 0.055 0.000 0.905 45 Q CB 1.582 30.343 28.738 0.039 0.000 1.186 45 Q HN 0.626 nan 8.270 nan 0.000 0.399 46 V N 1.260 121.208 119.914 0.056 0.000 2.690 46 V HA 0.083 4.203 4.120 -0.000 0.000 0.240 46 V C 1.022 177.147 176.094 0.052 0.000 1.078 46 V CA 1.412 63.746 62.300 0.058 0.000 1.102 46 V CB 0.213 32.080 31.823 0.074 0.000 0.800 46 V HN 0.876 nan 8.190 nan 0.000 0.479 47 T N -3.968 110.613 114.554 0.045 0.000 2.681 47 T HA 0.307 4.656 4.350 -0.000 0.000 0.296 47 T C 0.215 174.911 174.700 -0.007 0.000 1.157 47 T CA -0.122 61.996 62.100 0.030 0.000 1.025 47 T CB 1.574 70.475 68.868 0.055 0.000 1.441 47 T HN -0.030 nan 8.240 nan 0.000 0.504 48 D N 0.349 120.737 120.400 -0.021 0.000 2.133 48 D HA -0.133 4.507 4.640 -0.000 0.000 0.192 48 D C 2.042 178.267 176.300 -0.125 0.000 1.001 48 D CA 1.795 55.763 54.000 -0.054 0.000 0.844 48 D CB 0.054 40.825 40.800 -0.048 0.000 0.944 48 D HN 0.493 nan 8.370 nan 0.000 0.447 49 Q N -0.716 118.955 119.800 -0.215 0.000 2.274 49 Q HA 0.105 4.445 4.340 -0.000 0.000 0.198 49 Q C 0.871 176.617 176.000 -0.424 0.000 0.955 49 Q CA -0.129 55.355 55.803 -0.531 0.000 0.859 49 Q CB -0.261 27.827 28.738 -1.083 0.000 0.956 49 Q HN 0.242 nan 8.270 nan 0.000 0.516 50 L N 1.772 122.900 121.223 -0.157 0.000 2.331 50 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 50 L C -0.775 176.137 176.870 0.069 0.000 1.106 50 L CA 0.706 55.594 54.840 0.080 0.000 0.824 50 L CB 1.314 43.517 42.059 0.241 0.000 1.142 50 L HN -0.069 nan 8.230 nan 0.000 0.443 51 T N 3.964 118.585 114.554 0.111 0.000 2.921 51 T HA 0.696 5.046 4.350 -0.000 0.000 0.297 51 T C -0.254 174.550 174.700 0.172 0.000 1.013 51 T CA -0.385 61.791 62.100 0.126 0.000 0.990 51 T CB 1.531 70.476 68.868 0.127 0.000 1.023 51 T HN 0.839 nan 8.240 nan 0.000 0.447 52 G N 1.923 110.802 108.800 0.132 0.000 2.420 52 G HA2 0.734 4.694 3.960 -0.000 0.000 0.331 52 G HA3 0.734 4.694 3.960 -0.000 0.000 0.331 52 G C -1.524 173.455 174.900 0.132 0.000 1.168 52 G CA -0.738 44.395 45.100 0.055 0.000 0.936 52 G HN 0.714 nan 8.290 nan 0.000 0.479 53 Y N -0.995 119.369 120.300 0.107 0.000 2.562 53 Y HA 0.818 5.368 4.550 -0.000 0.000 0.345 53 Y C 0.097 176.072 175.900 0.125 0.000 1.045 53 Y CA -1.437 56.732 58.100 0.115 0.000 1.028 53 Y CB 1.418 39.959 38.460 0.135 0.000 1.297 53 Y HN 0.807 nan 8.280 nan 0.000 0.463 54 G N 0.708 109.693 108.800 0.308 0.000 2.569 54 G HA2 0.598 4.558 3.960 -0.000 0.000 0.300 54 G HA3 0.598 4.558 3.960 -0.000 0.000 0.300 54 G C -2.104 172.891 174.900 0.159 0.000 1.269 54 G CA -1.082 44.151 45.100 0.223 0.000 0.959 54 G HN 0.875 nan 8.290 nan 0.000 0.478 55 Q N -0.787 118.925 119.800 -0.147 0.000 2.403 55 Q HA 0.456 4.796 4.340 -0.000 0.000 0.267 55 Q C -2.424 173.327 176.000 -0.415 0.000 0.991 55 Q CA -0.807 54.801 55.803 -0.324 0.000 0.906 55 Q CB 2.504 30.878 28.738 -0.607 0.000 1.422 55 Q HN 0.643 nan 8.270 nan 0.000 0.400 56 W N 2.690 123.578 121.300 -0.686 0.000 3.033 56 W HA 0.689 5.349 4.660 -0.000 0.000 0.336 56 W C -1.729 174.523 176.519 -0.445 0.000 1.173 56 W CA -0.415 56.521 57.345 -0.682 0.000 1.185 56 W CB 1.875 30.625 29.460 -1.182 0.000 1.425 56 W HN 0.722 nan 8.180 nan 0.000 0.536 57 E N 4.185 123.691 120.200 -1.156 0.000 2.406 57 E HA 0.212 4.562 4.350 -0.000 0.000 0.297 57 E C -2.325 173.604 176.600 -1.118 0.000 0.917 57 E CA -0.611 55.138 56.400 -1.084 0.000 0.795 57 E CB 1.253 30.667 29.700 -0.477 0.000 1.285 57 E HN 0.396 nan 8.360 nan 0.000 0.400 58 Y N 2.306 121.774 120.300 -1.387 0.000 2.496 58 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 58 Y C -0.773 174.697 175.900 -0.718 0.000 1.140 58 Y CA -0.443 57.108 58.100 -0.916 0.000 1.166 58 Y CB 1.975 39.989 38.460 -0.744 0.000 1.249 58 Y HN 0.588 nan 8.280 nan 0.000 0.479 59 Q N 4.512 123.641 119.800 -1.119 0.000 2.337 59 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 59 Q C -1.999 173.379 176.000 -1.037 0.000 1.043 59 Q CA -0.552 54.642 55.803 -1.015 0.000 0.794 59 Q CB 1.326 29.265 28.738 -1.331 0.000 1.281 59 Q HN 0.727 nan 8.270 nan 0.000 0.446 60 I N 3.628 123.903 120.570 -0.493 0.000 2.439 60 I HA 0.245 4.415 4.170 -0.000 0.000 0.285 60 I C -0.410 175.629 176.117 -0.130 0.000 1.021 60 I CA -1.074 60.066 61.300 -0.266 0.000 1.091 60 I CB 1.849 39.819 38.000 -0.051 0.000 1.242 60 I HN 0.503 nan 8.210 nan 0.000 0.439 61 Q N 4.024 123.774 119.800 -0.085 0.000 2.337 61 Q HA 0.193 4.533 4.340 -0.000 0.000 0.270 61 Q C 0.828 176.838 176.000 0.016 0.000 1.002 61 Q CA 0.118 55.927 55.803 0.010 0.000 0.888 61 Q CB 1.376 30.139 28.738 0.042 0.000 1.222 61 Q HN 0.929 nan 8.270 nan 0.000 0.400 62 G N 1.783 110.599 108.800 0.027 0.000 3.899 62 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.293 62 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.293 62 G C 0.399 175.302 174.900 0.005 0.000 1.054 62 G CA -0.347 44.759 45.100 0.010 0.000 0.846 62 G HN 0.583 nan 8.290 nan 0.000 0.525 63 N N -0.417 118.285 118.700 0.002 0.000 2.205 63 N HA 0.112 4.852 4.740 -0.000 0.000 0.201 63 N C 0.087 175.589 175.510 -0.013 0.000 1.128 63 N CA -0.229 52.812 53.050 -0.015 0.000 0.867 63 N CB 0.618 39.080 38.487 -0.043 0.000 0.996 63 N HN 0.326 nan 8.380 nan 0.000 0.503 64 E N 0.780 120.979 120.200 -0.002 0.000 2.244 64 E HA 0.463 4.813 4.350 -0.000 0.000 0.266 64 E C -2.329 174.274 176.600 0.005 0.000 0.914 64 E CA -1.934 54.467 56.400 0.001 0.000 0.794 64 E CB 1.988 31.692 29.700 0.008 0.000 1.210 64 E HN 0.158 nan 8.360 nan 0.000 0.414 65 P HA 0.148 nan 4.420 nan 0.000 0.284 65 P C -0.102 177.203 177.300 0.009 0.000 1.292 65 P CA -0.283 62.821 63.100 0.005 0.000 0.800 65 P CB 0.820 32.522 31.700 0.004 0.000 1.188 66 E N -0.402 119.803 120.200 0.008 0.000 2.265 66 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 66 E C 1.705 178.312 176.600 0.012 0.000 0.996 66 E CA 1.370 57.776 56.400 0.010 0.000 0.832 66 E CB 0.029 29.733 29.700 0.007 0.000 0.756 66 E HN 0.481 nan 8.360 nan 0.000 0.491 67 S N 1.151 116.857 115.700 0.011 0.000 2.315 67 S HA -0.133 4.337 4.470 -0.000 0.000 0.196 67 S C 0.906 175.516 174.600 0.016 0.000 1.045 67 S CA 0.342 58.549 58.200 0.012 0.000 1.055 67 S CB -0.460 62.745 63.200 0.009 0.000 0.963 67 S HN 0.131 nan 8.310 nan 0.000 0.439 68 D N 1.848 122.257 120.400 0.015 0.000 2.389 68 D HA 0.237 4.877 4.640 -0.000 0.000 0.247 68 D C -0.705 175.611 176.300 0.025 0.000 1.128 68 D CA -0.003 54.010 54.000 0.020 0.000 0.884 68 D CB 0.111 40.920 40.800 0.015 0.000 1.194 68 D HN 0.390 nan 8.370 nan 0.000 0.441 69 N N 2.637 121.359 118.700 0.038 0.000 2.685 69 N HA 0.059 4.799 4.740 -0.000 0.000 0.252 69 N C -1.292 174.258 175.510 0.066 0.000 1.261 69 N CA -0.410 52.667 53.050 0.045 0.000 0.768 69 N CB 0.822 39.334 38.487 0.042 0.000 1.304 69 N HN 0.457 nan 8.380 nan 0.000 0.536 70 S N 1.208 116.954 115.700 0.076 0.000 2.562 70 S HA 0.560 5.030 4.470 -0.000 0.000 0.281 70 S C 0.246 174.943 174.600 0.162 0.000 1.333 70 S CA -0.285 57.991 58.200 0.126 0.000 1.052 70 S CB 1.024 64.296 63.200 0.121 0.000 0.884 70 S HN 0.556 nan 8.310 nan 0.000 0.506 71 S N 1.157 116.981 115.700 0.206 0.000 2.565 71 S HA 0.742 5.212 4.470 -0.000 0.000 0.274 71 S C -1.349 173.203 174.600 -0.080 0.000 1.144 71 S CA -1.186 56.964 58.200 -0.082 0.000 0.849 71 S CB 0.083 63.230 63.200 -0.088 0.000 1.103 71 S HN 1.571 nan 8.310 nan 0.000 0.455 72 W N -0.560 120.216 121.300 -0.872 0.000 3.146 72 W HA 0.706 5.366 4.660 -0.000 0.000 0.319 72 W C -1.314 174.708 176.519 -0.829 0.000 1.258 72 W CA -0.916 56.027 57.345 -0.670 0.000 1.189 72 W CB 0.318 29.573 29.460 -0.342 0.000 1.412 72 W HN 0.589 nan 8.180 nan 0.000 0.567 73 T N 2.562 117.130 114.554 0.023 0.000 2.901 73 T HA 0.220 4.570 4.350 -0.000 0.000 0.301 73 T C 0.829 175.510 174.700 -0.031 0.000 1.012 73 T CA -0.123 62.039 62.100 0.104 0.000 1.135 73 T CB 1.272 70.325 68.868 0.307 0.000 0.936 73 T HN 0.534 nan 8.240 nan 0.000 0.539 74 R N 1.321 121.676 120.500 -0.240 0.000 2.102 74 R HA 0.297 4.637 4.340 -0.000 0.000 0.208 74 R C 0.439 176.554 176.300 -0.307 0.000 1.131 74 R CA 0.275 56.154 56.100 -0.367 0.000 1.054 74 R CB 0.420 30.457 30.300 -0.438 0.000 0.954 74 R HN 0.584 nan 8.270 nan 0.000 0.465 75 V N -2.487 117.325 119.914 -0.171 0.000 2.841 75 V HA 0.890 5.009 4.120 -0.000 0.000 0.310 75 V C -1.523 174.578 176.094 0.011 0.000 1.090 75 V CA -1.073 61.234 62.300 0.011 0.000 0.930 75 V CB 1.904 33.816 31.823 0.149 0.000 1.014 75 V HN 0.119 nan 8.190 nan 0.000 0.425 76 A N 5.241 128.135 122.820 0.123 0.000 2.547 76 A HA 0.914 5.234 4.320 -0.000 0.000 0.279 76 A C -1.092 176.577 177.584 0.141 0.000 1.088 76 A CA -0.375 51.720 52.037 0.097 0.000 0.796 76 A CB 0.735 19.854 19.000 0.198 0.000 1.308 76 A HN 2.129 nan 8.150 nan 0.000 0.415 77 F N -0.046 119.958 119.950 0.090 0.000 2.654 77 F HA 0.913 5.440 4.527 -0.000 0.000 0.308 77 F C -0.304 175.553 175.800 0.096 0.000 1.108 77 F CA -0.933 57.102 58.000 0.059 0.000 0.957 77 F CB 1.126 40.159 39.000 0.055 0.000 1.309 77 F HN 0.796 nan 8.300 nan 0.000 0.446 78 A N 0.993 123.974 122.820 0.270 0.000 2.380 78 A HA 1.051 5.371 4.320 -0.000 0.000 0.315 78 A C -0.307 177.246 177.584 -0.051 0.000 1.101 78 A CA -0.476 51.624 52.037 0.105 0.000 0.771 78 A CB 1.350 20.375 19.000 0.041 0.000 1.287 78 A HN 2.134 nan 8.150 nan 0.000 0.436 79 G N -0.540 108.004 108.800 -0.427 0.000 2.368 79 G HA2 0.523 4.483 3.960 -0.000 0.000 0.293 79 G HA3 0.523 4.483 3.960 -0.000 0.000 0.293 79 G C -1.517 172.835 174.900 -0.913 0.000 1.467 79 G CA -0.750 43.963 45.100 -0.644 0.000 0.804 79 G HN 0.763 nan 8.290 nan 0.000 0.535 80 L N -0.231 120.786 121.223 -0.343 0.000 2.332 80 L HA 0.847 5.187 4.340 -0.000 0.000 0.269 80 L C 0.035 177.025 176.870 0.200 0.000 1.016 80 L CA -1.051 53.752 54.840 -0.063 0.000 0.809 80 L CB 2.268 44.375 42.059 0.080 0.000 1.280 80 L HN 0.592 nan 8.230 nan 0.000 0.447 81 K N 1.227 121.794 120.400 0.280 0.000 2.588 81 K HA 0.392 4.712 4.320 -0.000 0.000 0.250 81 K C -2.075 174.694 176.600 0.282 0.000 0.972 81 K CA -0.448 56.032 56.287 0.322 0.000 0.821 81 K CB 1.774 34.486 32.500 0.355 0.000 1.249 81 K HN 0.396 nan 8.250 nan 0.000 0.442 82 F N 3.125 123.157 119.950 0.137 0.000 2.458 82 F HA 0.320 4.847 4.527 -0.000 0.000 0.336 82 F C 0.157 176.015 175.800 0.096 0.000 1.114 82 F CA -0.464 57.601 58.000 0.108 0.000 0.987 82 F CB 1.771 40.834 39.000 0.104 0.000 1.130 82 F HN 0.585 nan 8.300 nan 0.000 0.458 83 Q N 4.238 123.802 119.800 -0.393 0.000 2.283 83 Q HA 0.039 4.379 4.340 -0.000 0.000 0.301 83 Q C 0.135 176.167 176.000 0.054 0.000 1.063 83 Q CA 1.224 56.914 55.803 -0.189 0.000 0.952 83 Q CB 0.132 28.680 28.738 -0.316 0.000 1.166 83 Q HN 0.753 nan 8.270 nan 0.000 0.381 84 D N 1.556 122.017 120.400 0.102 0.000 3.070 84 D HA -0.203 4.437 4.640 -0.000 0.000 0.220 84 D C 0.088 176.581 176.300 0.322 0.000 1.176 84 D CA 1.093 55.200 54.000 0.178 0.000 0.924 84 D CB -1.262 39.634 40.800 0.160 0.000 1.124 84 D HN 0.329 nan 8.370 nan 0.000 0.411 85 V N -1.692 118.437 119.914 0.358 0.000 2.950 85 V HA 0.623 4.743 4.120 -0.000 0.000 0.231 85 V C 1.445 177.718 176.094 0.298 0.000 1.205 85 V CA 1.311 63.859 62.300 0.413 0.000 1.239 85 V CB 1.041 33.100 31.823 0.393 0.000 1.050 85 V HN 0.509 nan 8.190 nan 0.000 0.498 86 G N 0.058 109.000 108.800 0.236 0.000 2.368 86 G HA2 0.428 4.388 3.960 -0.000 0.000 0.269 86 G HA3 0.428 4.388 3.960 -0.000 0.000 0.269 86 G C -1.088 173.944 174.900 0.220 0.000 1.291 86 G CA 0.253 45.442 45.100 0.148 0.000 0.903 86 G HN 0.980 nan 8.290 nan 0.000 0.483 87 S N -1.438 114.403 115.700 0.235 0.000 2.537 87 S HA 0.784 5.254 4.470 -0.000 0.000 0.270 87 S C -1.655 173.126 174.600 0.302 0.000 1.142 87 S CA -0.610 57.760 58.200 0.282 0.000 0.870 87 S CB 2.313 65.660 63.200 0.246 0.000 1.112 87 S HN 2.065 nan 8.310 nan 0.000 0.466 88 F N 2.454 122.455 119.950 0.085 0.000 2.585 88 F HA 0.614 5.140 4.527 -0.000 0.000 0.319 88 F C -2.022 173.788 175.800 0.017 0.000 1.165 88 F CA -0.885 57.070 58.000 -0.074 0.000 0.949 88 F CB 1.662 40.490 39.000 -0.287 0.000 1.218 88 F HN 0.776 nan 8.300 nan 0.000 0.453 89 D N 5.049 125.104 120.400 -0.575 0.000 2.686 89 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 89 D C -1.812 174.260 176.300 -0.380 0.000 1.260 89 D CA -0.274 53.464 54.000 -0.436 0.000 0.910 89 D CB 1.745 42.539 40.800 -0.009 0.000 1.323 89 D HN 0.498 nan 8.370 nan 0.000 0.561 90 Y N 1.694 121.723 120.300 -0.452 0.000 2.330 90 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 90 Y C 0.364 176.289 175.900 0.041 0.000 1.036 90 Y CA 0.681 58.678 58.100 -0.173 0.000 1.125 90 Y CB 1.334 39.706 38.460 -0.147 0.000 1.194 90 Y HN 0.837 nan 8.280 nan 0.000 0.469 91 G N 4.661 113.083 108.800 -0.631 0.000 2.362 91 G HA2 0.042 4.002 3.960 -0.000 0.000 0.288 91 G HA3 0.042 4.002 3.960 -0.000 0.000 0.288 91 G C -1.671 173.131 174.900 -0.164 0.000 1.305 91 G CA -1.340 43.526 45.100 -0.389 0.000 0.910 91 G HN 0.775 nan 8.290 nan 0.000 0.518 92 R N 0.737 121.214 120.500 -0.039 0.000 2.404 92 R HA 0.415 4.755 4.340 -0.000 0.000 0.315 92 R C -0.092 176.349 176.300 0.235 0.000 1.032 92 R CA 0.290 56.412 56.100 0.037 0.000 0.992 92 R CB -0.005 30.306 30.300 0.019 0.000 0.959 92 R HN 0.599 nan 8.270 nan 0.000 0.428 93 N N 2.498 121.383 118.700 0.309 0.000 3.418 93 N HA 0.216 4.956 4.740 -0.000 0.000 0.316 93 N C -1.751 173.854 175.510 0.157 0.000 1.601 93 N CA -0.708 52.493 53.050 0.252 0.000 0.805 93 N CB 0.601 39.103 38.487 0.026 0.000 1.873 93 N HN 0.342 nan 8.380 nan 0.000 0.615 94 Y N 0.429 120.732 120.300 0.005 0.000 2.304 94 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 94 Y C 1.487 177.000 175.900 -0.644 0.000 1.123 94 Y CA -0.198 57.776 58.100 -0.211 0.000 1.218 94 Y CB 0.895 39.249 38.460 -0.177 0.000 1.207 94 Y HN 0.488 nan 8.280 nan 0.000 0.495 95 G N 1.242 109.680 108.800 -0.602 0.000 2.614 95 G HA2 0.109 4.068 3.960 -0.000 0.000 0.239 95 G HA3 0.109 4.068 3.960 -0.000 0.000 0.239 95 G C 0.904 175.559 174.900 -0.409 0.000 1.240 95 G CA -0.410 44.147 45.100 -0.904 0.000 0.842 95 G HN 0.687 nan 8.290 nan 0.000 0.584 96 V N 2.042 121.750 119.914 -0.345 0.000 2.626 96 V HA -0.134 3.986 4.120 -0.000 0.000 0.252 96 V C 2.835 178.846 176.094 -0.140 0.000 1.067 96 V CA 1.756 63.946 62.300 -0.184 0.000 1.081 96 V CB -0.312 31.445 31.823 -0.109 0.000 0.686 96 V HN 0.493 nan 8.190 nan 0.000 0.468 97 V N -0.312 119.525 119.914 -0.129 0.000 2.324 97 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 97 V C 2.234 178.227 176.094 -0.169 0.000 1.060 97 V CA 2.754 64.974 62.300 -0.133 0.000 1.042 97 V CB -0.843 30.918 31.823 -0.104 0.000 0.650 97 V HN 0.763 nan 8.190 nan 0.000 0.450 98 Y N 1.540 121.645 120.300 -0.326 0.000 2.228 98 Y HA -0.314 4.236 4.550 -0.000 0.000 0.285 98 Y C 2.155 177.826 175.900 -0.382 0.000 1.178 98 Y CA 1.791 59.652 58.100 -0.398 0.000 1.202 98 Y CB -0.764 37.468 38.460 -0.379 0.000 0.974 98 Y HN 0.462 nan 8.280 nan 0.000 0.527 99 D N -0.922 119.302 120.400 -0.294 0.000 2.191 99 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 99 D C 2.245 178.156 176.300 -0.648 0.000 1.007 99 D CA 2.213 56.004 54.000 -0.349 0.000 0.865 99 D CB -0.455 40.220 40.800 -0.209 0.000 0.929 99 D HN 0.295 nan 8.370 nan 0.000 0.447 100 V N 0.008 119.507 119.914 -0.693 0.000 2.403 100 V HA -0.119 4.001 4.120 -0.000 0.000 0.239 100 V C 2.564 178.136 176.094 -0.869 0.000 1.041 100 V CA 1.745 63.411 62.300 -1.057 0.000 1.051 100 V CB -0.939 30.501 31.823 -0.638 0.000 0.704 100 V HN 0.336 nan 8.190 nan 0.000 0.472 101 T N -0.090 114.172 114.554 -0.487 0.000 2.897 101 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 101 T C 1.861 176.412 174.700 -0.248 0.000 1.084 101 T CA 1.631 63.581 62.100 -0.250 0.000 1.123 101 T CB -0.659 68.129 68.868 -0.134 0.000 0.865 101 T HN 0.585 nan 8.240 nan 0.000 0.496 102 S N -0.106 115.200 115.700 -0.656 0.000 2.474 102 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 102 S C 1.517 176.034 174.600 -0.139 0.000 0.997 102 S CA 0.245 57.981 58.200 -0.773 0.000 0.949 102 S CB -0.915 61.348 63.200 -1.562 0.000 0.766 102 S HN 0.659 nan 8.310 nan 0.000 0.517 103 W N 3.132 124.317 121.300 -0.190 0.000 2.468 103 W HA 0.084 4.744 4.660 -0.000 0.000 0.262 103 W C 2.308 178.870 176.519 0.072 0.000 1.241 103 W CA 1.098 58.434 57.345 -0.015 0.000 1.232 103 W CB -1.553 27.905 29.460 -0.003 0.000 1.124 103 W HN 0.612 nan 8.180 nan 0.000 0.597 104 T N -4.115 110.563 114.554 0.206 0.000 3.069 104 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 104 T C 0.634 175.390 174.700 0.094 0.000 1.053 104 T CA 0.079 62.255 62.100 0.127 0.000 0.964 104 T CB 0.071 68.953 68.868 0.024 0.000 1.005 104 T HN -0.201 nan 8.240 nan 0.000 0.532 105 D N 2.537 122.997 120.400 0.100 0.000 3.057 105 D HA 0.160 4.800 4.640 -0.000 0.000 0.246 105 D C 1.141 177.451 176.300 0.016 0.000 1.238 105 D CA -0.185 53.876 54.000 0.103 0.000 0.949 105 D CB 0.380 41.309 40.800 0.216 0.000 1.086 105 D HN 0.414 nan 8.370 nan 0.000 0.487 106 V N -1.162 118.732 119.914 -0.033 0.000 3.380 106 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 106 V C 0.582 176.548 176.094 -0.212 0.000 1.434 106 V CA -0.409 61.810 62.300 -0.135 0.000 1.075 106 V CB -0.498 31.212 31.823 -0.188 0.000 0.954 106 V HN 0.008 nan 8.190 nan 0.000 0.444 107 L N 1.381 122.468 121.223 -0.227 0.000 2.421 107 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 107 L C -0.786 175.840 176.870 -0.406 0.000 1.122 107 L CA -1.618 52.950 54.840 -0.453 0.000 0.804 107 L CB 1.028 42.883 42.059 -0.339 0.000 1.150 107 L HN 0.002 nan 8.230 nan 0.000 0.457 108 P HA -0.085 nan 4.420 nan 0.000 0.229 108 P C 0.440 177.421 177.300 -0.531 0.000 1.160 108 P CA 1.106 63.799 63.100 -0.678 0.000 0.777 108 P CB 0.701 31.684 31.700 -1.195 0.000 0.814 109 E N -1.970 118.007 120.200 -0.371 0.000 3.566 109 E HA 0.162 4.512 4.350 -0.000 0.000 0.241 109 E C 0.432 176.850 176.600 -0.303 0.000 1.208 109 E CA 0.120 56.328 56.400 -0.320 0.000 1.773 109 E CB -0.377 29.068 29.700 -0.424 0.000 1.818 109 E HN -0.108 nan 8.360 nan 0.000 0.865 110 F N 1.004 120.987 119.950 0.055 0.000 2.181 110 F HA 0.634 5.161 4.527 -0.000 0.000 0.285 110 F C 1.493 177.348 175.800 0.092 0.000 1.134 110 F CA 0.410 58.456 58.000 0.078 0.000 1.139 110 F CB -0.260 38.781 39.000 0.069 0.000 1.614 110 F HN 0.237 nan 8.300 nan 0.000 0.519 111 G N -1.046 108.007 108.800 0.423 0.000 2.814 111 G HA2 0.363 4.323 3.960 -0.000 0.000 0.677 111 G HA3 0.363 4.323 3.960 -0.000 0.000 0.677 111 G C 0.388 175.350 174.900 0.104 0.000 1.429 111 G CA -0.192 45.038 45.100 0.217 0.000 0.868 111 G HN 1.884 nan 8.290 nan 0.000 0.553 112 G N -0.411 108.392 108.800 0.004 0.000 2.395 112 G HA2 0.128 4.088 3.960 -0.000 0.000 0.300 112 G HA3 0.128 4.088 3.960 -0.000 0.000 0.300 112 G C 0.435 175.122 174.900 -0.355 0.000 0.998 112 G CA 1.345 46.398 45.100 -0.078 0.000 1.046 112 G HN 2.359 nan 8.290 nan 0.000 0.513 113 D N -1.436 118.748 120.400 -0.361 0.000 2.740 113 D HA 0.137 4.777 4.640 -0.000 0.000 0.301 113 D C 1.437 177.551 176.300 -0.310 0.000 1.408 113 D CA 0.453 54.283 54.000 -0.284 0.000 0.808 113 D CB -0.473 40.317 40.800 -0.016 0.000 1.128 113 D HN 0.409 nan 8.370 nan 0.000 0.465 114 T N -2.366 111.868 114.554 -0.534 0.000 3.107 114 T HA 0.176 4.526 4.350 -0.000 0.000 0.249 114 T C 0.119 174.738 174.700 -0.135 0.000 1.096 114 T CA -0.054 61.884 62.100 -0.270 0.000 1.012 114 T CB -0.734 68.033 68.868 -0.169 0.000 0.977 114 T HN 0.282 nan 8.240 nan 0.000 0.527 115 Y N -0.934 119.405 120.300 0.066 0.000 2.553 115 Y HA 0.834 5.384 4.550 -0.000 0.000 0.347 115 Y C -0.898 175.030 175.900 0.047 0.000 1.019 115 Y CA -1.922 56.223 58.100 0.075 0.000 1.032 115 Y CB 0.998 39.511 38.460 0.089 0.000 1.284 115 Y HN -0.151 nan 8.280 nan 0.000 0.466 116 D N -0.159 120.366 120.400 0.209 0.000 2.506 116 D HA 0.419 5.059 4.640 -0.000 0.000 0.254 116 D C -0.857 175.510 176.300 0.111 0.000 1.089 116 D CA -0.874 53.185 54.000 0.098 0.000 1.050 116 D CB 1.743 42.543 40.800 0.001 0.000 1.221 116 D HN 0.507 nan 8.370 nan 0.000 0.589 117 S N 0.328 116.056 115.700 0.046 0.000 2.565 117 S HA 0.141 4.611 4.470 -0.000 0.000 0.274 117 S C -0.212 174.382 174.600 -0.010 0.000 1.309 117 S CA -0.343 57.884 58.200 0.045 0.000 1.043 117 S CB 0.302 63.499 63.200 -0.004 0.000 0.939 117 S HN 0.386 nan 8.310 nan 0.000 0.504 118 D N 1.413 121.817 120.400 0.006 0.000 2.772 118 D HA -0.162 4.478 4.640 -0.000 0.000 0.233 118 D C -0.438 175.810 176.300 -0.087 0.000 1.143 118 D CA 0.446 54.415 54.000 -0.051 0.000 0.700 118 D CB -1.046 39.696 40.800 -0.097 0.000 1.076 118 D HN 0.444 nan 8.370 nan 0.000 0.430 119 N N -0.037 118.655 118.700 -0.014 0.000 3.170 119 N HA 0.278 5.018 4.740 -0.000 0.000 0.305 119 N C 0.141 175.696 175.510 0.075 0.000 1.499 119 N CA -0.181 52.852 53.050 -0.029 0.000 1.110 119 N CB -0.157 38.412 38.487 0.136 0.000 1.390 119 N HN 0.127 nan 8.380 nan 0.000 0.508 120 F N -1.022 119.002 119.950 0.124 0.000 2.183 120 F HA -0.392 4.135 4.527 -0.000 0.000 0.318 120 F C 1.226 177.127 175.800 0.169 0.000 0.276 120 F CA 0.669 58.727 58.000 0.096 0.000 0.912 120 F CB -0.857 38.184 39.000 0.069 0.000 4.135 120 F HN 0.140 nan 8.300 nan 0.000 0.137 121 M N 0.592 120.431 119.600 0.397 0.000 2.631 121 M HA 0.114 4.594 4.480 -0.000 0.000 0.241 121 M C 1.097 177.483 176.300 0.144 0.000 1.255 121 M CA 0.403 55.898 55.300 0.325 0.000 0.983 121 M CB 0.041 32.764 32.600 0.205 0.000 1.580 121 M HN 0.415 nan 8.290 nan 0.000 0.464 122 Q N 0.015 119.913 119.800 0.163 0.000 2.302 122 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 122 Q C 1.329 177.256 176.000 -0.122 0.000 0.936 122 Q CA 0.880 56.708 55.803 0.042 0.000 0.886 122 Q CB 0.794 29.625 28.738 0.154 0.000 0.986 122 Q HN 0.599 nan 8.270 nan 0.000 0.487 123 Q N -1.615 118.152 119.800 -0.055 0.000 2.555 123 Q HA 0.124 4.464 4.340 -0.000 0.000 0.409 123 Q C -0.699 175.248 176.000 -0.089 0.000 0.669 123 Q CA -0.507 55.156 55.803 -0.233 0.000 0.911 123 Q CB 0.654 29.240 28.738 -0.253 0.000 1.845 123 Q HN 0.246 nan 8.270 nan 0.000 0.292 124 H N -0.920 118.097 119.070 -0.088 0.000 2.913 124 H HA 0.428 4.984 4.556 -0.000 0.000 0.365 124 H C -0.032 175.350 175.328 0.089 0.000 1.155 124 H CA 1.264 57.240 56.048 -0.121 0.000 1.417 124 H CB 0.724 30.371 29.762 -0.191 0.000 1.386 124 H HN 0.600 nan 8.280 nan 0.000 0.614 125 G N 1.020 109.975 108.800 0.259 0.000 2.442 125 G HA2 0.127 4.087 3.960 -0.000 0.000 0.296 125 G HA3 0.127 4.087 3.960 -0.000 0.000 0.296 125 G C -1.536 173.114 174.900 -0.418 0.000 1.564 125 G CA -1.159 43.876 45.100 -0.109 0.000 0.828 125 G HN 0.637 nan 8.290 nan 0.000 0.571 126 N N -0.217 118.223 118.700 -0.434 0.000 2.529 126 N HA 0.482 5.222 4.740 -0.000 0.000 0.278 126 N C 0.960 176.156 175.510 -0.522 0.000 1.146 126 N CA 0.788 53.618 53.050 -0.368 0.000 0.980 126 N CB 1.377 39.736 38.487 -0.212 0.000 1.124 126 N HN 1.659 nan 8.380 nan 0.000 0.458 127 G N 0.891 109.430 108.800 -0.435 0.000 2.272 127 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 127 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 127 G C -0.711 174.062 174.900 -0.212 0.000 1.067 127 G CA -0.365 44.515 45.100 -0.366 0.000 0.902 127 G HN 0.388 nan 8.290 nan 0.000 0.500 128 F N 0.774 120.652 119.950 -0.119 0.000 2.421 128 F HA 0.598 5.125 4.527 -0.000 0.000 0.358 128 F C 0.842 176.727 175.800 0.142 0.000 1.115 128 F CA -0.626 57.384 58.000 0.018 0.000 1.160 128 F CB 1.437 40.416 39.000 -0.034 0.000 1.123 128 F HN 0.413 nan 8.300 nan 0.000 0.508 129 A N 2.744 125.912 122.820 0.580 0.000 2.276 129 A HA 0.636 4.956 4.320 -0.000 0.000 0.300 129 A C -0.107 177.738 177.584 0.434 0.000 1.235 129 A CA -0.423 51.964 52.037 0.584 0.000 0.867 129 A CB -0.054 19.371 19.000 0.709 0.000 1.137 129 A HN 0.732 nan 8.150 nan 0.000 0.527 130 T N 0.336 115.062 114.554 0.287 0.000 2.906 130 T HA 0.554 4.904 4.350 -0.000 0.000 0.302 130 T C -0.888 173.954 174.700 0.236 0.000 1.002 130 T CA -0.368 61.852 62.100 0.200 0.000 0.988 130 T CB 0.150 69.032 68.868 0.023 0.000 0.972 130 T HN 0.347 nan 8.240 nan 0.000 0.447 131 Y N 2.228 122.691 120.300 0.272 0.000 2.299 131 Y HA 0.627 5.177 4.550 -0.000 0.000 0.326 131 Y C 1.157 177.095 175.900 0.063 0.000 1.164 131 Y CA -0.502 57.716 58.100 0.196 0.000 1.234 131 Y CB 1.179 39.727 38.460 0.148 0.000 1.219 131 Y HN 0.533 nan 8.280 nan 0.000 0.497 132 R N 1.712 122.314 120.500 0.171 0.000 2.771 132 R HA 0.433 4.773 4.340 -0.000 0.000 0.274 132 R C -1.519 174.633 176.300 -0.246 0.000 0.987 132 R CA -1.245 54.814 56.100 -0.069 0.000 0.908 132 R CB 1.835 32.106 30.300 -0.050 0.000 1.213 132 R HN 0.526 nan 8.270 nan 0.000 0.468 133 N N 0.680 119.025 118.700 -0.591 0.000 2.558 133 N HA 0.120 4.859 4.740 -0.000 0.000 0.285 133 N C -1.605 173.579 175.510 -0.544 0.000 1.112 133 N CA -0.408 52.203 53.050 -0.733 0.000 0.857 133 N CB 1.606 39.242 38.487 -1.419 0.000 1.376 133 N HN 0.614 nan 8.380 nan 0.000 0.526 134 T N 0.346 114.733 114.554 -0.278 0.000 2.856 134 T HA 0.324 4.674 4.350 -0.000 0.000 0.292 134 T C -0.161 174.488 174.700 -0.086 0.000 0.980 134 T CA -0.353 61.664 62.100 -0.139 0.000 1.091 134 T CB 0.677 69.498 68.868 -0.078 0.000 0.936 134 T HN 0.461 nan 8.240 nan 0.000 0.503 135 D N 0.240 120.642 120.400 0.003 0.000 2.837 135 D HA -0.228 4.412 4.640 -0.000 0.000 0.230 135 D C 0.069 176.471 176.300 0.171 0.000 1.152 135 D CA 1.044 55.093 54.000 0.082 0.000 0.736 135 D CB -2.061 38.773 40.800 0.057 0.000 1.084 135 D HN 0.859 nan 8.370 nan 0.000 0.429 136 F N -0.217 119.700 119.950 -0.054 0.000 2.489 136 F HA -0.335 4.192 4.527 -0.000 0.000 0.203 136 F C 0.185 175.994 175.800 0.015 0.000 1.030 136 F CA 0.782 58.745 58.000 -0.063 0.000 0.877 136 F CB -1.457 37.632 39.000 0.147 0.000 0.855 136 F HN 0.125 nan 8.300 nan 0.000 0.832 137 F N 0.712 120.617 119.950 -0.075 0.000 3.093 137 F HA -0.189 4.338 4.527 -0.000 0.000 0.287 137 F C 1.492 177.320 175.800 0.047 0.000 0.882 137 F CA 1.363 59.329 58.000 -0.056 0.000 1.063 137 F CB -1.639 37.269 39.000 -0.153 0.000 1.097 137 F HN 1.110 nan 8.300 nan 0.000 0.604 138 G N -0.923 107.978 108.800 0.167 0.000 2.168 138 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 138 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 138 G C 0.810 175.813 174.900 0.171 0.000 0.997 138 G CA 0.560 45.746 45.100 0.144 0.000 0.708 138 G HN 0.587 nan 8.290 nan 0.000 0.520 139 L N -1.181 120.191 121.223 0.249 0.000 2.347 139 L HA 0.285 4.625 4.340 -0.000 0.000 0.196 139 L C 1.228 178.222 176.870 0.206 0.000 1.072 139 L CA 0.429 55.417 54.840 0.246 0.000 0.817 139 L CB 0.165 42.437 42.059 0.355 0.000 1.029 139 L HN 0.072 nan 8.230 nan 0.000 0.478 140 V N 1.200 121.267 119.914 0.255 0.000 2.304 140 V HA 0.117 4.237 4.120 -0.000 0.000 0.269 140 V C -0.759 175.427 176.094 0.154 0.000 1.036 140 V CA -0.696 61.710 62.300 0.177 0.000 0.840 140 V CB 0.604 32.516 31.823 0.149 0.000 1.036 140 V HN 0.159 nan 8.190 nan 0.000 0.466 141 D N 5.053 125.511 120.400 0.098 0.000 2.385 141 D HA 0.342 4.982 4.640 -0.000 0.000 0.260 141 D C 1.105 177.409 176.300 0.006 0.000 1.326 141 D CA 1.223 55.257 54.000 0.057 0.000 1.023 141 D CB 1.131 41.958 40.800 0.045 0.000 1.083 141 D HN 0.875 nan 8.370 nan 0.000 0.517 142 G N 1.655 110.452 108.800 -0.006 0.000 3.382 142 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.214 142 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.214 142 G C -0.013 174.867 174.900 -0.034 0.000 1.025 142 G CA -0.646 44.365 45.100 -0.148 0.000 0.869 142 G HN 0.411 nan 8.290 nan 0.000 0.458 143 L N 3.374 124.702 121.223 0.174 0.000 2.295 143 L HA 0.697 5.037 4.340 -0.000 0.000 0.288 143 L C -1.141 175.892 176.870 0.272 0.000 1.079 143 L CA -0.887 54.137 54.840 0.308 0.000 0.830 143 L CB 0.403 42.654 42.059 0.320 0.000 1.200 143 L HN 0.095 nan 8.230 nan 0.000 0.438 144 D N 5.029 125.561 120.400 0.221 0.000 2.228 144 D HA 0.666 5.306 4.640 -0.000 0.000 0.247 144 D C -0.583 175.864 176.300 0.245 0.000 0.995 144 D CA 0.268 54.348 54.000 0.134 0.000 0.903 144 D CB 1.536 42.367 40.800 0.053 0.000 1.205 144 D HN 0.374 nan 8.370 nan 0.000 0.459 145 F N -1.054 118.925 119.950 0.048 0.000 2.745 145 F HA 0.873 5.400 4.527 -0.000 0.000 0.316 145 F C -1.798 174.020 175.800 0.030 0.000 1.155 145 F CA -1.198 56.829 58.000 0.046 0.000 0.937 145 F CB 1.098 40.144 39.000 0.075 0.000 1.361 145 F HN 0.405 nan 8.300 nan 0.000 0.472 146 A N 0.643 123.646 122.820 0.305 0.000 2.594 146 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 146 A C -2.236 175.514 177.584 0.276 0.000 1.071 146 A CA -0.787 51.363 52.037 0.188 0.000 0.685 146 A CB 1.789 20.832 19.000 0.071 0.000 1.285 146 A HN 1.179 nan 8.150 nan 0.000 0.405 147 V N 1.953 122.035 119.914 0.279 0.000 2.419 147 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 147 V C -0.227 176.040 176.094 0.288 0.000 1.017 147 V CA -0.288 62.171 62.300 0.264 0.000 0.844 147 V CB 1.145 33.127 31.823 0.264 0.000 1.011 147 V HN 0.915 nan 8.190 nan 0.000 0.429 148 Q N 3.150 123.082 119.800 0.219 0.000 2.309 148 Q HA 0.611 4.951 4.340 -0.000 0.000 0.264 148 Q C -1.964 174.224 176.000 0.313 0.000 1.008 148 Q CA -0.737 55.207 55.803 0.234 0.000 0.853 148 Q CB 2.713 31.504 28.738 0.089 0.000 1.314 148 Q HN 0.743 nan 8.270 nan 0.000 0.448 149 Y N 1.799 122.246 120.300 0.245 0.000 2.462 149 Y HA 0.376 4.926 4.550 -0.000 0.000 0.346 149 Y C -1.485 174.603 175.900 0.313 0.000 0.976 149 Y CA -0.575 57.669 58.100 0.240 0.000 1.044 149 Y CB 1.976 40.562 38.460 0.210 0.000 1.230 149 Y HN 0.598 nan 8.280 nan 0.000 0.455 150 Q N 4.180 123.695 119.800 -0.476 0.000 2.292 150 Q HA 0.509 4.849 4.340 -0.000 0.000 0.270 150 Q C -0.566 175.032 176.000 -0.669 0.000 1.024 150 Q CA -0.874 54.725 55.803 -0.340 0.000 0.768 150 Q CB 1.592 30.293 28.738 -0.062 0.000 1.250 150 Q HN 1.067 nan 8.270 nan 0.000 0.447 151 G N 2.707 111.286 108.800 -0.370 0.000 2.594 151 G HA2 0.053 4.013 3.960 -0.000 0.000 0.243 151 G HA3 0.053 4.013 3.960 -0.000 0.000 0.243 151 G C -0.518 174.331 174.900 -0.086 0.000 1.229 151 G CA -0.396 44.620 45.100 -0.140 0.000 0.843 151 G HN 0.674 nan 8.290 nan 0.000 0.578 152 K N 0.459 120.854 120.400 -0.008 0.000 2.484 152 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 152 K C -0.583 176.017 176.600 0.001 0.000 1.013 152 K CA 0.155 56.447 56.287 0.008 0.000 1.029 152 K CB 0.144 32.669 32.500 0.042 0.000 0.902 152 K HN 0.382 nan 8.250 nan 0.000 0.481 153 N N 2.955 121.649 118.700 -0.010 0.000 2.762 153 N HA 0.221 4.961 4.740 -0.000 0.000 0.252 153 N C -0.301 175.201 175.510 -0.014 0.000 1.269 153 N CA -0.332 52.703 53.050 -0.026 0.000 0.799 153 N CB 1.700 40.146 38.487 -0.068 0.000 1.173 153 N HN 0.751 nan 8.380 nan 0.000 0.516 154 G N -0.011 108.790 108.800 0.002 0.000 2.975 154 G HA2 0.394 4.354 3.960 -0.000 0.000 0.159 154 G HA3 0.394 4.354 3.960 -0.000 0.000 0.159 154 G C 0.136 175.029 174.900 -0.013 0.000 1.525 154 G CA -0.188 44.920 45.100 0.013 0.000 1.075 154 G HN 0.379 nan 8.290 nan 0.000 0.574 155 S N -1.755 113.937 115.700 -0.012 0.000 2.745 155 S HA 0.611 5.081 4.470 -0.000 0.000 0.292 155 S C 0.956 175.501 174.600 -0.093 0.000 1.133 155 S CA 0.242 58.402 58.200 -0.066 0.000 0.998 155 S CB 1.682 64.852 63.200 -0.050 0.000 1.087 155 S HN 1.148 nan 8.310 nan 0.000 0.551 156 A N -0.381 122.313 122.820 -0.210 0.000 2.178 156 A HA 0.222 4.542 4.320 -0.000 0.000 0.211 156 A C 0.269 177.832 177.584 -0.034 0.000 1.157 156 A CA 0.240 52.177 52.037 -0.167 0.000 0.780 156 A CB -0.510 18.356 19.000 -0.224 0.000 0.828 156 A HN 0.798 nan 8.150 nan 0.000 0.476 157 H N -0.469 118.602 119.070 0.003 0.000 2.690 157 H HA 0.438 4.994 4.556 -0.000 0.000 0.280 157 H C 1.541 176.853 175.328 -0.026 0.000 1.138 157 H CA -0.369 55.675 56.048 -0.007 0.000 1.241 157 H CB 0.154 29.917 29.762 0.001 0.000 1.394 157 H HN 0.364 nan 8.280 nan 0.000 0.489 158 G N 4.057 112.905 108.800 0.081 0.000 4.637 158 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.359 158 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.359 158 G C 0.352 175.227 174.900 -0.042 0.000 1.577 158 G CA 0.665 45.767 45.100 0.004 0.000 1.463 158 G HN 0.586 nan 8.290 nan 0.000 0.849 159 E N 1.960 122.105 120.200 -0.091 0.000 2.217 159 E HA 0.439 4.789 4.350 -0.000 0.000 0.279 159 E C 0.850 177.389 176.600 -0.102 0.000 1.068 159 E CA 0.407 56.687 56.400 -0.200 0.000 0.882 159 E CB 0.417 29.845 29.700 -0.453 0.000 1.039 159 E HN 1.707 nan 8.360 nan 0.000 0.418 160 G N 3.823 112.584 108.800 -0.065 0.000 2.256 160 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.272 160 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.272 160 G C -0.093 174.821 174.900 0.024 0.000 1.076 160 G CA 0.255 45.368 45.100 0.021 0.000 0.882 160 G HN 0.505 nan 8.290 nan 0.000 0.497 161 M N 1.219 120.822 119.600 0.005 0.000 2.367 161 M HA 0.727 5.207 4.480 -0.000 0.000 0.339 161 M C 0.684 176.991 176.300 0.011 0.000 1.177 161 M CA 0.187 55.490 55.300 0.005 0.000 1.068 161 M CB 1.404 34.006 32.600 0.004 0.000 1.602 161 M HN 0.600 nan 8.290 nan 0.000 0.457 162 T N -0.650 113.908 114.554 0.007 0.000 2.907 162 T HA 0.298 4.648 4.350 -0.000 0.000 0.290 162 T C 0.516 175.222 174.700 0.010 0.000 1.066 162 T CA -0.472 61.636 62.100 0.013 0.000 1.012 162 T CB 1.461 70.338 68.868 0.014 0.000 1.184 162 T HN 0.697 nan 8.240 nan 0.000 0.522 163 T N 0.761 115.325 114.554 0.017 0.000 2.881 163 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 163 T C 1.330 176.036 174.700 0.011 0.000 1.068 163 T CA 1.764 63.874 62.100 0.017 0.000 1.131 163 T CB -0.788 68.096 68.868 0.025 0.000 0.871 163 T HN 0.765 nan 8.240 nan 0.000 0.479 164 N N 0.464 119.168 118.700 0.007 0.000 2.251 164 N HA 0.203 4.943 4.740 -0.000 0.000 0.217 164 N C 0.713 176.210 175.510 -0.021 0.000 1.124 164 N CA -0.170 52.878 53.050 -0.004 0.000 0.843 164 N CB -0.488 37.997 38.487 -0.003 0.000 1.024 164 N HN 0.323 nan 8.380 nan 0.000 0.501 165 G N 1.306 110.091 108.800 -0.025 0.000 2.484 165 G HA2 0.165 4.125 3.960 -0.000 0.000 0.235 165 G HA3 0.165 4.125 3.960 -0.000 0.000 0.235 165 G C 0.099 174.959 174.900 -0.066 0.000 1.282 165 G CA -0.548 44.525 45.100 -0.044 0.000 0.857 165 G HN 0.514 nan 8.290 nan 0.000 0.571 166 R N 1.551 122.006 120.500 -0.075 0.000 2.562 166 R HA 0.348 4.688 4.340 -0.000 0.000 0.298 166 R C -1.096 175.140 176.300 -0.107 0.000 0.961 166 R CA -0.857 55.192 56.100 -0.084 0.000 0.881 166 R CB 1.903 32.161 30.300 -0.070 0.000 1.159 166 R HN 0.298 nan 8.270 nan 0.000 0.450 167 D N 0.515 120.839 120.400 -0.126 0.000 2.347 167 D HA -0.056 4.584 4.640 -0.000 0.000 0.215 167 D C -0.172 176.080 176.300 -0.079 0.000 0.976 167 D CA 0.974 54.891 54.000 -0.138 0.000 0.884 167 D CB 0.091 40.804 40.800 -0.146 0.000 0.915 167 D HN 0.515 nan 8.370 nan 0.000 0.526 168 D N -0.071 120.289 120.400 -0.067 0.000 2.382 168 D HA 0.002 4.642 4.640 -0.000 0.000 0.245 168 D C 1.240 177.490 176.300 -0.084 0.000 1.120 168 D CA -0.151 53.815 54.000 -0.057 0.000 0.890 168 D CB 1.901 42.687 40.800 -0.024 0.000 1.201 168 D HN -0.213 nan 8.370 nan 0.000 0.433 169 V N 3.474 123.280 119.914 -0.181 0.000 2.825 169 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 169 V C 1.773 177.781 176.094 -0.144 0.000 1.068 169 V CA 0.697 62.872 62.300 -0.209 0.000 1.088 169 V CB -0.543 31.076 31.823 -0.340 0.000 0.733 169 V HN 0.491 nan 8.190 nan 0.000 0.468 170 F N 0.944 120.907 119.950 0.022 0.000 2.325 170 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 170 F C 2.309 178.056 175.800 -0.088 0.000 1.090 170 F CA 1.009 59.018 58.000 0.016 0.000 1.392 170 F CB -0.488 38.429 39.000 -0.138 0.000 1.053 170 F HN 0.199 nan 8.300 nan 0.000 0.521 171 E N -0.133 120.098 120.200 0.052 0.000 2.285 171 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 171 E C 0.711 177.242 176.600 -0.114 0.000 0.997 171 E CA 0.164 56.529 56.400 -0.057 0.000 0.845 171 E CB -0.079 29.585 29.700 -0.059 0.000 0.782 171 E HN 0.499 nan 8.360 nan 0.000 0.491 172 Q N 1.230 120.978 119.800 -0.086 0.000 2.492 172 Q HA 0.124 4.464 4.340 -0.000 0.000 0.238 172 Q C 0.099 176.023 176.000 -0.127 0.000 1.045 172 Q CA 0.273 56.032 55.803 -0.073 0.000 0.934 172 Q CB 0.546 29.279 28.738 -0.009 0.000 1.276 172 Q HN 0.212 nan 8.270 nan 0.000 0.521 173 N N -1.476 117.211 118.700 -0.020 0.000 3.046 173 N HA 0.443 5.183 4.740 -0.000 0.000 0.243 173 N C -1.049 174.526 175.510 0.108 0.000 1.452 173 N CA -0.668 52.455 53.050 0.122 0.000 0.882 173 N CB 1.119 39.681 38.487 0.126 0.000 1.425 173 N HN 0.592 nan 8.380 nan 0.000 0.517 174 G N -0.322 108.562 108.800 0.141 0.000 2.938 174 G HA2 0.407 4.367 3.960 -0.000 0.000 0.258 174 G HA3 0.407 4.367 3.960 -0.000 0.000 0.258 174 G C -1.147 173.762 174.900 0.016 0.000 1.356 174 G CA -0.446 44.693 45.100 0.065 0.000 1.052 174 G HN 0.602 nan 8.290 nan 0.000 0.550 175 D N -0.417 119.985 120.400 0.003 0.000 2.417 175 D HA 0.475 5.115 4.640 -0.000 0.000 0.250 175 D C 0.487 176.764 176.300 -0.038 0.000 1.166 175 D CA 0.976 54.946 54.000 -0.050 0.000 0.881 175 D CB 1.288 42.135 40.800 0.078 0.000 1.164 175 D HN 0.572 nan 8.370 nan 0.000 0.467 176 G N 0.324 109.057 108.800 -0.113 0.000 2.667 176 G HA2 0.568 4.528 3.960 -0.000 0.000 0.298 176 G HA3 0.568 4.528 3.960 -0.000 0.000 0.298 176 G C -1.301 173.617 174.900 0.030 0.000 1.377 176 G CA -0.533 44.555 45.100 -0.021 0.000 0.964 176 G HN 0.378 nan 8.290 nan 0.000 0.493 177 V N -0.014 119.949 119.914 0.081 0.000 2.769 177 V HA 0.957 5.077 4.120 -0.000 0.000 0.312 177 V C 0.576 176.708 176.094 0.062 0.000 1.061 177 V CA -0.017 62.361 62.300 0.130 0.000 0.931 177 V CB 1.893 33.810 31.823 0.156 0.000 1.010 177 V HN 1.223 nan 8.190 nan 0.000 0.433 178 G N 1.282 110.126 108.800 0.073 0.000 2.690 178 G HA2 0.774 4.734 3.960 -0.000 0.000 0.293 178 G HA3 0.774 4.734 3.960 -0.000 0.000 0.293 178 G C -0.758 174.165 174.900 0.038 0.000 1.399 178 G CA -0.171 44.940 45.100 0.018 0.000 0.890 178 G HN 1.091 nan 8.290 nan 0.000 0.485 179 G N -0.915 107.888 108.800 0.006 0.000 2.680 179 G HA2 0.842 4.802 3.960 -0.000 0.000 0.290 179 G HA3 0.842 4.802 3.960 -0.000 0.000 0.290 179 G C -0.671 174.237 174.900 0.014 0.000 1.355 179 G CA 0.021 45.145 45.100 0.039 0.000 0.903 179 G HN 1.663 nan 8.290 nan 0.000 0.474 180 S N -0.969 114.766 115.700 0.060 0.000 2.533 180 S HA 0.733 5.203 4.470 -0.000 0.000 0.271 180 S C -1.268 173.403 174.600 0.117 0.000 1.143 180 S CA -0.739 57.483 58.200 0.036 0.000 0.891 180 S CB 1.679 64.875 63.200 -0.007 0.000 1.105 180 S HN 0.674 nan 8.310 nan 0.000 0.468 181 I N 2.654 123.278 120.570 0.090 0.000 2.534 181 I HA 0.414 4.584 4.170 -0.000 0.000 0.286 181 I C -0.572 175.635 176.117 0.150 0.000 1.094 181 I CA -0.406 60.987 61.300 0.156 0.000 1.055 181 I CB 2.390 40.455 38.000 0.108 0.000 1.225 181 I HN 0.954 nan 8.210 nan 0.000 0.435 182 T N 2.276 116.956 114.554 0.210 0.000 2.885 182 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 182 T C -1.104 173.800 174.700 0.340 0.000 1.019 182 T CA -0.827 61.447 62.100 0.289 0.000 1.010 182 T CB 2.297 71.363 68.868 0.331 0.000 1.022 182 T HN 0.409 nan 8.240 nan 0.000 0.466 183 Y N 1.926 122.358 120.300 0.220 0.000 2.354 183 Y HA 0.515 5.065 4.550 -0.000 0.000 0.330 183 Y C -1.101 174.900 175.900 0.168 0.000 1.011 183 Y CA -0.881 57.316 58.100 0.163 0.000 1.099 183 Y CB 1.594 40.127 38.460 0.121 0.000 1.179 183 Y HN 0.790 nan 8.280 nan 0.000 0.442 184 N N 4.781 123.273 118.700 -0.347 0.000 2.314 184 N HA 0.361 5.101 4.740 -0.000 0.000 0.304 184 N C -2.263 173.043 175.510 -0.339 0.000 1.073 184 N CA -0.608 52.295 53.050 -0.245 0.000 0.822 184 N CB 2.581 40.975 38.487 -0.154 0.000 1.280 184 N HN 0.681 nan 8.380 nan 0.000 0.489 185 Y N 1.220 121.383 120.300 -0.228 0.000 2.282 185 Y HA 0.058 4.607 4.550 -0.000 0.000 0.317 185 Y C -0.777 175.164 175.900 0.069 0.000 1.236 185 Y CA -0.611 57.421 58.100 -0.115 0.000 1.134 185 Y CB 0.288 38.707 38.460 -0.067 0.000 1.267 185 Y HN 0.592 nan 8.280 nan 0.000 0.410 186 E N 4.090 124.100 120.200 -0.316 0.000 2.586 186 E HA -0.264 4.086 4.350 -0.000 0.000 0.259 186 E C 1.099 177.668 176.600 -0.052 0.000 1.107 186 E CA 1.661 57.907 56.400 -0.258 0.000 0.754 186 E CB -1.462 27.975 29.700 -0.439 0.000 1.335 186 E HN 1.630 nan 8.360 nan 0.000 0.411 187 G N -0.778 107.949 108.800 -0.122 0.000 2.527 187 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 187 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 187 G C 0.287 175.057 174.900 -0.216 0.000 1.177 187 G CA 0.012 44.944 45.100 -0.281 0.000 0.695 187 G HN 0.200 nan 8.290 nan 0.000 0.517 188 F N 2.044 122.008 119.950 0.024 0.000 2.553 188 F HA 0.455 4.982 4.527 -0.000 0.000 0.356 188 F C 1.261 177.066 175.800 0.008 0.000 1.142 188 F CA 1.319 59.365 58.000 0.077 0.000 1.322 188 F CB 1.192 40.268 39.000 0.127 0.000 1.126 188 F HN 0.474 nan 8.300 nan 0.000 0.599 189 G N 4.200 113.096 108.800 0.160 0.000 2.575 189 G HA2 0.516 4.476 3.960 -0.000 0.000 0.279 189 G HA3 0.516 4.476 3.960 -0.000 0.000 0.279 189 G C -1.106 173.968 174.900 0.291 0.000 1.460 189 G CA -0.559 44.593 45.100 0.087 0.000 1.214 189 G HN 0.548 nan 8.290 nan 0.000 0.582 190 I N 1.309 122.120 120.570 0.401 0.000 2.581 190 I HA 0.601 4.771 4.170 -0.000 0.000 0.288 190 I C 0.816 177.217 176.117 0.473 0.000 1.047 190 I CA -0.118 61.417 61.300 0.393 0.000 1.374 190 I CB 1.809 39.970 38.000 0.268 0.000 1.423 190 I HN 0.539 nan 8.210 nan 0.000 0.549 191 G N 4.504 113.491 108.800 0.310 0.000 2.608 191 G HA2 0.630 4.590 3.960 -0.000 0.000 0.285 191 G HA3 0.630 4.590 3.960 -0.000 0.000 0.285 191 G C -1.422 173.459 174.900 -0.031 0.000 1.407 191 G CA -0.288 44.855 45.100 0.071 0.000 1.276 191 G HN 0.785 nan 8.290 nan 0.000 0.587 192 A N 1.046 123.861 122.820 -0.008 0.000 2.340 192 A HA 1.058 5.378 4.320 -0.000 0.000 0.331 192 A C 0.071 177.628 177.584 -0.046 0.000 1.140 192 A CA -0.224 51.805 52.037 -0.012 0.000 0.801 192 A CB 1.839 20.852 19.000 0.023 0.000 1.234 192 A HN 2.361 nan 8.150 nan 0.000 0.469 193 A N 1.029 123.818 122.820 -0.051 0.000 2.512 193 A HA 0.593 4.913 4.320 -0.000 0.000 0.294 193 A C -1.492 176.034 177.584 -0.096 0.000 1.054 193 A CA -0.287 51.704 52.037 -0.077 0.000 0.756 193 A CB 1.020 19.944 19.000 -0.127 0.000 1.293 193 A HN 1.394 nan 8.150 nan 0.000 0.395 194 V N 2.333 122.173 119.914 -0.123 0.000 2.483 194 V HA 0.760 4.880 4.120 -0.000 0.000 0.297 194 V C 0.319 176.284 176.094 -0.215 0.000 1.027 194 V CA -0.058 62.092 62.300 -0.249 0.000 0.855 194 V CB 1.673 33.339 31.823 -0.260 0.000 0.995 194 V HN 1.277 nan 8.190 nan 0.000 0.424 195 S N 3.201 118.746 115.700 -0.258 0.000 2.648 195 S HA 0.883 5.353 4.470 -0.000 0.000 0.305 195 S C -0.511 173.962 174.600 -0.212 0.000 1.094 195 S CA -0.541 57.559 58.200 -0.167 0.000 0.983 195 S CB 2.152 65.295 63.200 -0.095 0.000 1.101 195 S HN 0.923 nan 8.310 nan 0.000 0.514 196 S N 1.101 116.724 115.700 -0.128 0.000 2.653 196 S HA 0.563 5.033 4.470 -0.000 0.000 0.268 196 S C -1.473 173.076 174.600 -0.085 0.000 1.153 196 S CA -0.522 57.602 58.200 -0.126 0.000 1.036 196 S CB 0.680 63.822 63.200 -0.097 0.000 1.103 196 S HN 0.782 nan 8.310 nan 0.000 0.466 197 S N 3.632 119.249 115.700 -0.140 0.000 2.503 197 S HA 0.504 4.974 4.470 -0.000 0.000 0.301 197 S C -0.369 174.149 174.600 -0.136 0.000 1.087 197 S CA -0.872 57.260 58.200 -0.114 0.000 1.042 197 S CB 1.690 64.826 63.200 -0.106 0.000 1.043 197 S HN 0.790 nan 8.310 nan 0.000 0.489 198 K N 1.396 121.762 120.400 -0.056 0.000 2.230 198 K HA 0.263 4.583 4.320 -0.000 0.000 0.253 198 K C -0.321 176.257 176.600 -0.037 0.000 1.008 198 K CA -0.044 56.221 56.287 -0.037 0.000 0.910 198 K CB 0.470 32.977 32.500 0.012 0.000 0.994 198 K HN 0.528 nan 8.250 nan 0.000 0.495 199 R N 0.477 120.957 120.500 -0.033 0.000 2.854 199 R HA 0.296 4.636 4.340 -0.000 0.000 0.271 199 R C -0.681 175.641 176.300 0.038 0.000 0.996 199 R CA -0.851 55.243 56.100 -0.009 0.000 0.961 199 R CB 2.028 32.254 30.300 -0.123 0.000 1.182 199 R HN 0.606 nan 8.270 nan 0.000 0.479 200 T N 0.183 114.777 114.554 0.067 0.000 2.882 200 T HA -0.003 4.347 4.350 -0.000 0.000 0.287 200 T C 0.601 175.379 174.700 0.130 0.000 1.014 200 T CA -0.483 61.683 62.100 0.111 0.000 1.049 200 T CB 0.737 69.674 68.868 0.114 0.000 1.001 200 T HN 0.653 nan 8.240 nan 0.000 0.525 201 W N 1.541 122.848 121.300 0.011 0.000 2.338 201 W HA -0.168 4.492 4.660 -0.000 0.000 0.304 201 W C 1.468 177.999 176.519 0.020 0.000 1.212 201 W CA 1.547 58.900 57.345 0.014 0.000 1.264 201 W CB -0.178 29.292 29.460 0.017 0.000 1.142 201 W HN 0.722 nan 8.180 nan 0.000 0.512 202 D N -0.346 120.246 120.400 0.321 0.000 2.117 202 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 202 D C 2.085 178.396 176.300 0.018 0.000 0.987 202 D CA 1.739 55.843 54.000 0.174 0.000 0.829 202 D CB -0.775 40.137 40.800 0.187 0.000 0.961 202 D HN 0.390 nan 8.370 nan 0.000 0.460 203 Q N -0.042 119.781 119.800 0.038 0.000 2.135 203 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 203 Q C 1.599 177.603 176.000 0.006 0.000 0.981 203 Q CA 0.995 56.836 55.803 0.064 0.000 0.856 203 Q CB -0.026 28.677 28.738 -0.058 0.000 0.902 203 Q HN 0.292 nan 8.270 nan 0.000 0.425 204 N N 0.322 118.947 118.700 -0.125 0.000 2.333 204 N HA -0.043 4.697 4.740 -0.000 0.000 0.178 204 N C 0.473 175.856 175.510 -0.211 0.000 1.018 204 N CA 0.754 53.709 53.050 -0.158 0.000 0.882 204 N CB 0.070 38.429 38.487 -0.214 0.000 0.984 204 N HN 0.211 nan 8.380 nan 0.000 0.434 205 N N 0.108 118.579 118.700 -0.381 0.000 2.389 205 N HA 0.076 4.816 4.740 -0.000 0.000 0.260 205 N C 0.380 175.728 175.510 -0.271 0.000 1.191 205 N CA 0.166 52.920 53.050 -0.494 0.000 0.885 205 N CB 0.492 38.250 38.487 -1.215 0.000 1.162 205 N HN 0.268 nan 8.380 nan 0.000 0.512 206 T N -3.955 110.529 114.554 -0.116 0.000 3.069 206 T HA 0.256 4.606 4.350 -0.000 0.000 0.252 206 T C 1.327 176.018 174.700 -0.015 0.000 1.053 206 T CA 0.279 62.356 62.100 -0.038 0.000 0.964 206 T CB 0.328 69.181 68.868 -0.024 0.000 1.005 206 T HN 0.228 nan 8.240 nan 0.000 0.532 207 G N 1.487 110.277 108.800 -0.018 0.000 2.147 207 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 207 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 207 G C -0.092 174.841 174.900 0.055 0.000 1.005 207 G CA 0.160 45.268 45.100 0.013 0.000 0.713 207 G HN 0.621 nan 8.290 nan 0.000 0.515 208 L N 0.500 121.777 121.223 0.090 0.000 2.421 208 L HA 0.643 4.983 4.340 -0.000 0.000 0.263 208 L C 1.716 178.707 176.870 0.202 0.000 1.122 208 L CA -1.190 53.728 54.840 0.130 0.000 0.804 208 L CB 0.709 42.831 42.059 0.104 0.000 1.150 208 L HN 0.355 nan 8.230 nan 0.000 0.457 209 I N -1.224 119.470 120.570 0.208 0.000 3.004 209 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 209 I C 1.035 177.356 176.117 0.340 0.000 1.144 209 I CA -0.237 61.204 61.300 0.234 0.000 1.353 209 I CB 0.231 38.361 38.000 0.218 0.000 1.417 209 I HN 0.761 nan 8.210 nan 0.000 0.602 210 G N 2.531 111.492 108.800 0.269 0.000 2.314 210 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.292 210 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.292 210 G C 0.069 175.106 174.900 0.229 0.000 1.059 210 G CA 0.324 45.590 45.100 0.276 0.000 0.982 210 G HN 1.271 nan 8.290 nan 0.000 0.505 211 T N -1.837 112.798 114.554 0.135 0.000 2.907 211 T HA 0.909 5.259 4.350 -0.000 0.000 0.284 211 T C 0.632 175.312 174.700 -0.034 0.000 1.004 211 T CA 0.223 62.334 62.100 0.019 0.000 1.063 211 T CB 2.988 71.873 68.868 0.028 0.000 0.992 211 T HN 1.773 nan 8.240 nan 0.000 0.483 212 G N 0.600 109.343 108.800 -0.096 0.000 2.554 212 G HA2 0.401 4.361 3.960 -0.000 0.000 0.306 212 G HA3 0.401 4.361 3.960 -0.000 0.000 0.306 212 G C -0.250 174.592 174.900 -0.097 0.000 1.320 212 G CA -0.188 44.865 45.100 -0.078 0.000 0.800 212 G HN 0.610 nan 8.290 nan 0.000 0.481 213 D N -0.718 119.641 120.400 -0.067 0.000 2.137 213 D HA 0.052 4.692 4.640 -0.000 0.000 0.202 213 D C 0.839 177.088 176.300 -0.085 0.000 0.970 213 D CA 0.992 54.958 54.000 -0.057 0.000 0.837 213 D CB 0.203 40.988 40.800 -0.026 0.000 0.981 213 D HN 0.343 nan 8.370 nan 0.000 0.475 214 R N -0.392 120.050 120.500 -0.096 0.000 2.628 214 R HA 0.725 5.064 4.340 -0.000 0.000 0.288 214 R C -1.010 175.168 176.300 -0.203 0.000 0.980 214 R CA -0.895 55.125 56.100 -0.134 0.000 0.891 214 R CB 2.312 32.573 30.300 -0.065 0.000 1.188 214 R HN -0.017 nan 8.270 nan 0.000 0.450 215 A N 2.649 125.238 122.820 -0.386 0.000 2.289 215 A HA 0.409 4.729 4.320 -0.000 0.000 0.298 215 A C -0.537 176.852 177.584 -0.325 0.000 1.208 215 A CA -0.381 51.361 52.037 -0.491 0.000 0.845 215 A CB 0.561 18.855 19.000 -1.176 0.000 1.125 215 A HN 0.747 nan 8.150 nan 0.000 0.517 216 E N 0.631 120.717 120.200 -0.191 0.000 2.317 216 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 216 E C -0.881 175.577 176.600 -0.237 0.000 0.885 216 E CA -0.775 55.503 56.400 -0.204 0.000 0.760 216 E CB 2.386 32.014 29.700 -0.120 0.000 1.227 216 E HN 0.714 nan 8.360 nan 0.000 0.434 217 T N -0.741 113.620 114.554 -0.321 0.000 2.893 217 T HA 0.595 4.945 4.350 -0.000 0.000 0.293 217 T C -1.276 173.158 174.700 -0.443 0.000 1.027 217 T CA -0.613 61.347 62.100 -0.232 0.000 0.988 217 T CB 0.613 69.414 68.868 -0.112 0.000 1.043 217 T HN 0.361 nan 8.240 nan 0.000 0.461 218 Y N 0.646 120.883 120.300 -0.104 0.000 2.425 218 Y HA 0.652 5.202 4.550 -0.000 0.000 0.344 218 Y C 0.263 176.168 175.900 0.009 0.000 0.969 218 Y CA -0.748 57.316 58.100 -0.060 0.000 1.052 218 Y CB 3.011 41.423 38.460 -0.080 0.000 1.215 218 Y HN 0.821 nan 8.280 nan 0.000 0.451 219 T N 1.936 116.566 114.554 0.126 0.000 3.143 219 T HA 0.529 4.879 4.350 -0.000 0.000 0.312 219 T C -0.232 174.506 174.700 0.064 0.000 0.986 219 T CA -0.911 61.243 62.100 0.090 0.000 1.024 219 T CB 1.258 70.121 68.868 -0.008 0.000 1.030 219 T HN 0.899 nan 8.240 nan 0.000 0.448 220 G N 0.780 109.650 108.800 0.117 0.000 2.417 220 G HA2 0.776 4.736 3.960 -0.000 0.000 0.334 220 G HA3 0.776 4.736 3.960 -0.000 0.000 0.334 220 G C -0.439 174.517 174.900 0.095 0.000 1.150 220 G CA -0.915 44.241 45.100 0.094 0.000 0.923 220 G HN 0.946 nan 8.290 nan 0.000 0.485 221 G N -0.340 108.507 108.800 0.079 0.000 2.766 221 G HA2 0.566 4.526 3.960 -0.000 0.000 0.297 221 G HA3 0.566 4.526 3.960 -0.000 0.000 0.297 221 G C -1.364 173.756 174.900 0.366 0.000 1.431 221 G CA -0.628 44.552 45.100 0.134 0.000 1.042 221 G HN 0.664 nan 8.290 nan 0.000 0.542 222 L N 1.127 122.596 121.223 0.409 0.000 2.401 222 L HA 0.770 5.110 4.340 -0.000 0.000 0.266 222 L C -0.258 176.751 176.870 0.231 0.000 0.991 222 L CA -1.001 54.059 54.840 0.366 0.000 0.818 222 L CB 2.785 44.992 42.059 0.247 0.000 1.321 222 L HN 0.806 nan 8.230 nan 0.000 0.413 223 K N 1.430 121.831 120.400 0.002 0.000 2.532 223 K HA 0.580 4.900 4.320 -0.000 0.000 0.265 223 K C -1.943 174.476 176.600 -0.303 0.000 0.948 223 K CA -0.953 55.153 56.287 -0.302 0.000 0.842 223 K CB 2.491 34.596 32.500 -0.658 0.000 1.392 223 K HN 0.396 nan 8.250 nan 0.000 0.436 224 Y N 1.486 121.446 120.300 -0.566 0.000 2.346 224 Y HA 0.379 4.929 4.550 -0.000 0.000 0.332 224 Y C -1.699 173.890 175.900 -0.518 0.000 0.985 224 Y CA -0.859 56.865 58.100 -0.627 0.000 1.112 224 Y CB 2.016 40.040 38.460 -0.727 0.000 1.170 224 Y HN 0.843 nan 8.280 nan 0.000 0.447 225 D N 5.437 125.246 120.400 -0.985 0.000 2.400 225 D HA 0.650 5.290 4.640 -0.000 0.000 0.272 225 D C -1.470 174.398 176.300 -0.721 0.000 1.220 225 D CA 0.168 53.793 54.000 -0.624 0.000 0.897 225 D CB 0.488 41.111 40.800 -0.295 0.000 1.134 225 D HN 0.803 nan 8.370 nan 0.000 0.507 226 A N 2.127 124.413 122.820 -0.889 0.000 2.597 226 A HA 0.560 4.880 4.320 -0.000 0.000 0.292 226 A C -0.386 177.006 177.584 -0.319 0.000 1.057 226 A CA -0.830 50.865 52.037 -0.570 0.000 0.674 226 A CB 0.592 19.252 19.000 -0.567 0.000 1.278 226 A HN 0.226 nan 8.150 nan 0.000 0.416 227 N N 1.718 120.318 118.700 -0.166 0.000 2.738 227 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 227 N C 0.240 175.702 175.510 -0.081 0.000 1.047 227 N CA 1.356 54.368 53.050 -0.062 0.000 0.707 227 N CB -1.166 37.350 38.487 0.048 0.000 0.937 227 N HN 0.794 nan 8.380 nan 0.000 0.545 228 N N -2.485 116.090 118.700 -0.209 0.000 2.815 228 N HA -0.225 4.515 4.740 -0.000 0.000 0.247 228 N C -0.551 174.757 175.510 -0.336 0.000 1.030 228 N CA 1.477 54.291 53.050 -0.394 0.000 0.881 228 N CB -0.901 37.161 38.487 -0.709 0.000 1.134 228 N HN 0.650 nan 8.380 nan 0.000 0.582 229 I N 0.471 120.967 120.570 -0.124 0.000 2.441 229 I HA 0.244 4.414 4.170 -0.000 0.000 0.295 229 I C -0.477 175.624 176.117 -0.026 0.000 0.994 229 I CA -0.808 60.508 61.300 0.026 0.000 1.144 229 I CB 1.523 39.637 38.000 0.190 0.000 1.314 229 I HN -0.062 nan 8.210 nan 0.000 0.445 230 Y N 7.337 127.584 120.300 -0.087 0.000 2.426 230 Y HA 0.541 5.091 4.550 -0.000 0.000 0.325 230 Y C -1.345 174.546 175.900 -0.016 0.000 0.989 230 Y CA -0.587 57.444 58.100 -0.115 0.000 1.284 230 Y CB 0.853 39.234 38.460 -0.131 0.000 1.104 230 Y HN 0.336 nan 8.280 nan 0.000 0.481 231 L N 5.658 126.691 121.223 -0.317 0.000 2.307 231 L HA 0.943 5.283 4.340 -0.000 0.000 0.284 231 L C -0.563 176.042 176.870 -0.442 0.000 1.023 231 L CA -0.958 53.745 54.840 -0.227 0.000 0.810 231 L CB 1.563 43.593 42.059 -0.049 0.000 1.231 231 L HN 0.738 nan 8.230 nan 0.000 0.423 232 A N 2.772 125.418 122.820 -0.289 0.000 2.555 232 A HA 0.889 5.209 4.320 -0.000 0.000 0.297 232 A C -1.285 176.282 177.584 -0.028 0.000 1.060 232 A CA -0.154 51.765 52.037 -0.196 0.000 0.710 232 A CB 1.782 20.584 19.000 -0.328 0.000 1.282 232 A HN 0.803 nan 8.150 nan 0.000 0.399 233 A N 1.175 124.017 122.820 0.037 0.000 2.530 233 A HA 1.015 5.335 4.320 -0.000 0.000 0.288 233 A C -0.961 176.651 177.584 0.047 0.000 1.172 233 A CA -0.251 51.765 52.037 -0.034 0.000 0.733 233 A CB 1.719 20.748 19.000 0.048 0.000 1.320 233 A HN 2.167 nan 8.150 nan 0.000 0.419 234 Q N -1.012 118.751 119.800 -0.061 0.000 2.479 234 Q HA 0.575 4.915 4.340 -0.000 0.000 0.276 234 Q C -1.997 174.113 176.000 0.183 0.000 0.989 234 Q CA -0.453 55.403 55.803 0.089 0.000 0.864 234 Q CB 0.977 29.730 28.738 0.026 0.000 1.444 234 Q HN 0.780 nan 8.270 nan 0.000 0.388 235 Y N 1.026 121.431 120.300 0.176 0.000 2.335 235 Y HA 0.715 5.265 4.550 -0.000 0.000 0.338 235 Y C -0.960 175.015 175.900 0.124 0.000 0.977 235 Y CA -0.383 57.842 58.100 0.209 0.000 1.114 235 Y CB 2.241 40.818 38.460 0.195 0.000 1.182 235 Y HN 0.787 nan 8.280 nan 0.000 0.463 236 T N 5.985 120.642 114.554 0.173 0.000 2.906 236 T HA 0.201 4.551 4.350 -0.000 0.000 0.302 236 T C -1.088 173.731 174.700 0.197 0.000 1.002 236 T CA -0.631 61.587 62.100 0.197 0.000 0.988 236 T CB 1.038 69.984 68.868 0.130 0.000 0.972 236 T HN 0.613 nan 8.240 nan 0.000 0.447 237 Q N 2.476 122.459 119.800 0.305 0.000 2.256 237 Q HA 0.660 5.000 4.340 -0.000 0.000 0.257 237 Q C -0.499 175.587 176.000 0.143 0.000 0.936 237 Q CA -0.625 55.333 55.803 0.258 0.000 0.903 237 Q CB 1.005 29.924 28.738 0.302 0.000 1.263 237 Q HN 0.749 nan 8.270 nan 0.000 0.440 238 T N 0.453 115.083 114.554 0.126 0.000 2.893 238 T HA 0.482 4.832 4.350 -0.000 0.000 0.293 238 T C -1.068 173.753 174.700 0.201 0.000 1.027 238 T CA -0.587 61.557 62.100 0.074 0.000 0.988 238 T CB 0.617 69.564 68.868 0.132 0.000 1.043 238 T HN 0.499 nan 8.240 nan 0.000 0.461 239 Y N 1.927 122.294 120.300 0.112 0.000 2.342 239 Y HA 0.394 4.944 4.550 -0.000 0.000 0.338 239 Y C 0.933 176.838 175.900 0.009 0.000 0.965 239 Y CA -1.349 56.792 58.100 0.068 0.000 1.159 239 Y CB 1.016 39.511 38.460 0.059 0.000 1.157 239 Y HN 0.764 nan 8.280 nan 0.000 0.486 240 N N 1.391 120.206 118.700 0.192 0.000 2.725 240 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 240 N C 0.321 175.808 175.510 -0.038 0.000 1.103 240 N CA 0.921 54.018 53.050 0.079 0.000 0.707 240 N CB -0.792 37.673 38.487 -0.036 0.000 1.043 240 N HN 0.835 nan 8.380 nan 0.000 0.553 241 A N -1.019 121.880 122.820 0.131 0.000 2.009 241 A HA 0.164 4.484 4.320 -0.000 0.000 0.197 241 A C 0.876 178.774 177.584 0.523 0.000 1.471 241 A CA 0.572 52.719 52.037 0.184 0.000 0.973 241 A CB 0.252 19.281 19.000 0.048 0.000 1.020 241 A HN 0.191 nan 8.150 nan 0.000 0.476 242 T N 1.841 116.641 114.554 0.410 0.000 2.870 242 T HA 0.312 4.662 4.350 -0.000 0.000 0.300 242 T C 0.273 175.209 174.700 0.393 0.000 0.989 242 T CA -0.145 62.169 62.100 0.358 0.000 1.139 242 T CB 0.559 69.566 68.868 0.232 0.000 0.920 242 T HN 0.451 nan 8.240 nan 0.000 0.537 243 R N 2.244 122.882 120.500 0.230 0.000 2.543 243 R HA 0.347 4.686 4.340 -0.000 0.000 0.277 243 R C -1.162 175.075 176.300 -0.105 0.000 1.074 243 R CA -0.250 55.811 56.100 -0.065 0.000 1.076 243 R CB 0.353 30.490 30.300 -0.272 0.000 0.993 243 R HN 0.433 nan 8.270 nan 0.000 0.459 244 V N 5.569 125.366 119.914 -0.194 0.000 2.320 244 V HA 0.332 4.452 4.120 -0.000 0.000 0.268 244 V C 0.851 176.761 176.094 -0.307 0.000 1.021 244 V CA 0.185 62.385 62.300 -0.167 0.000 0.813 244 V CB 0.299 32.115 31.823 -0.012 0.000 1.054 244 V HN 1.208 nan 8.190 nan 0.000 0.444 245 G N 4.579 113.165 108.800 -0.358 0.000 2.574 245 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.286 245 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.286 245 G C 1.035 175.687 174.900 -0.414 0.000 1.212 245 G CA 0.759 45.638 45.100 -0.367 0.000 0.979 245 G HN 1.398 nan 8.290 nan 0.000 0.557 246 S N -0.275 115.264 115.700 -0.269 0.000 2.535 246 S HA 0.364 4.834 4.470 -0.000 0.000 0.214 246 S C 2.346 176.943 174.600 -0.004 0.000 0.980 246 S CA 1.008 59.130 58.200 -0.130 0.000 0.907 246 S CB 0.226 63.389 63.200 -0.062 0.000 0.790 246 S HN 0.641 nan 8.310 nan 0.000 0.510 247 L N 1.229 122.399 121.223 -0.090 0.000 2.083 247 L HA 0.223 4.563 4.340 -0.000 0.000 0.209 247 L C 1.787 178.661 176.870 0.006 0.000 1.083 247 L CA 1.147 55.968 54.840 -0.031 0.000 0.752 247 L CB -0.752 41.259 42.059 -0.079 0.000 0.899 247 L HN 0.696 nan 8.230 nan 0.000 0.433 248 G N -2.783 105.985 108.800 -0.053 0.000 2.384 248 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.113 248 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.113 248 G C -1.717 173.024 174.900 -0.264 0.000 1.224 248 G CA -0.690 44.317 45.100 -0.156 0.000 1.126 248 G HN -0.048 nan 8.290 nan 0.000 0.461 249 W N 0.419 121.852 121.300 0.221 0.000 2.804 249 W HA 0.724 5.384 4.660 -0.000 0.000 0.352 249 W C 0.160 176.772 176.519 0.155 0.000 1.153 249 W CA -0.220 57.244 57.345 0.198 0.000 1.119 249 W CB 1.963 31.558 29.460 0.227 0.000 1.448 249 W HN 0.902 nan 8.180 nan 0.000 0.600 250 A N 1.797 124.857 122.820 0.400 0.000 2.252 250 A HA 0.204 4.524 4.320 -0.000 0.000 0.309 250 A C 0.916 178.650 177.584 0.251 0.000 1.285 250 A CA -0.422 51.778 52.037 0.272 0.000 0.900 250 A CB 0.182 19.316 19.000 0.223 0.000 1.157 250 A HN 0.655 nan 8.150 nan 0.000 0.536 251 N N 1.103 119.923 118.700 0.200 0.000 2.096 251 N HA -0.156 4.584 4.740 -0.000 0.000 0.195 251 N C 0.424 176.029 175.510 0.158 0.000 1.017 251 N CA 1.593 54.731 53.050 0.147 0.000 0.870 251 N CB -0.008 38.537 38.487 0.096 0.000 1.024 251 N HN 0.766 nan 8.380 nan 0.000 0.434 252 K N -0.686 119.814 120.400 0.166 0.000 2.525 252 K HA 0.563 4.883 4.320 -0.000 0.000 0.254 252 K C -1.985 174.726 176.600 0.184 0.000 0.934 252 K CA -0.516 55.899 56.287 0.213 0.000 0.802 252 K CB 2.117 34.714 32.500 0.162 0.000 1.295 252 K HN -0.037 nan 8.250 nan 0.000 0.433 253 A N 3.562 126.503 122.820 0.201 0.000 2.398 253 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 253 A C -1.442 176.223 177.584 0.135 0.000 1.041 253 A CA -0.683 51.445 52.037 0.151 0.000 0.711 253 A CB 1.558 20.650 19.000 0.153 0.000 1.240 253 A HN 0.690 nan 8.150 nan 0.000 0.420 254 Q N 2.270 122.122 119.800 0.087 0.000 2.431 254 Q HA 0.296 4.636 4.340 -0.000 0.000 0.249 254 Q C -0.984 174.950 176.000 -0.110 0.000 1.025 254 Q CA -0.623 55.194 55.803 0.024 0.000 0.835 254 Q CB 1.153 29.936 28.738 0.076 0.000 1.207 254 Q HN 0.694 nan 8.270 nan 0.000 0.490 255 N N 2.546 121.145 118.700 -0.169 0.000 2.399 255 N HA 0.507 5.247 4.740 -0.000 0.000 0.295 255 N C -1.311 174.067 175.510 -0.221 0.000 1.048 255 N CA -0.278 52.685 53.050 -0.145 0.000 0.886 255 N CB 1.503 39.962 38.487 -0.045 0.000 1.185 255 N HN 0.441 nan 8.380 nan 0.000 0.487 256 F N 0.589 120.341 119.950 -0.331 0.000 2.588 256 F HA 0.357 4.884 4.527 -0.000 0.000 0.318 256 F C -1.147 174.493 175.800 -0.267 0.000 1.155 256 F CA -0.603 57.219 58.000 -0.296 0.000 0.967 256 F CB 1.506 40.326 39.000 -0.300 0.000 1.236 256 F HN 0.355 nan 8.300 nan 0.000 0.455 257 E N 4.479 124.092 120.200 -0.979 0.000 2.266 257 E HA 0.822 5.172 4.350 -0.000 0.000 0.268 257 E C -1.450 174.570 176.600 -0.967 0.000 0.879 257 E CA -1.422 54.499 56.400 -0.799 0.000 0.762 257 E CB 2.260 31.729 29.700 -0.385 0.000 1.199 257 E HN 0.728 nan 8.360 nan 0.000 0.422 258 A N 1.837 124.322 122.820 -0.557 0.000 2.455 258 A HA 0.673 4.993 4.320 -0.000 0.000 0.300 258 A C -1.250 176.326 177.584 -0.012 0.000 1.040 258 A CA -0.600 51.294 52.037 -0.238 0.000 0.697 258 A CB 1.359 20.351 19.000 -0.014 0.000 1.265 258 A HN 0.307 nan 8.150 nan 0.000 0.407 259 V N 0.420 120.358 119.914 0.039 0.000 2.841 259 V HA 0.867 4.987 4.120 -0.000 0.000 0.310 259 V C 0.007 176.179 176.094 0.129 0.000 1.090 259 V CA -0.253 62.118 62.300 0.117 0.000 0.930 259 V CB 1.870 33.784 31.823 0.152 0.000 1.014 259 V HN 1.634 nan 8.190 nan 0.000 0.425 260 A N 3.754 126.679 122.820 0.175 0.000 2.385 260 A HA 0.831 5.150 4.320 -0.000 0.000 0.290 260 A C -0.839 176.878 177.584 0.221 0.000 1.094 260 A CA -0.540 51.595 52.037 0.163 0.000 0.729 260 A CB 1.339 20.415 19.000 0.127 0.000 1.194 260 A HN 0.803 nan 8.150 nan 0.000 0.442 261 Q N 0.717 120.655 119.800 0.230 0.000 2.375 261 Q HA 0.542 4.882 4.340 -0.000 0.000 0.271 261 Q C -1.895 174.220 176.000 0.193 0.000 1.074 261 Q CA -0.639 55.306 55.803 0.237 0.000 0.808 261 Q CB 3.030 31.901 28.738 0.223 0.000 1.327 261 Q HN 0.730 nan 8.270 nan 0.000 0.441 262 Y N 1.204 121.501 120.300 -0.005 0.000 2.425 262 Y HA 0.320 4.870 4.550 -0.000 0.000 0.344 262 Y C -1.081 174.676 175.900 -0.239 0.000 0.969 262 Y CA -0.808 57.190 58.100 -0.170 0.000 1.052 262 Y CB 1.965 40.242 38.460 -0.306 0.000 1.215 262 Y HN 0.515 nan 8.280 nan 0.000 0.451 263 Q N 5.393 124.652 119.800 -0.902 0.000 2.398 263 Q HA 0.372 4.712 4.340 -0.000 0.000 0.251 263 Q C -1.841 173.653 176.000 -0.844 0.000 0.999 263 Q CA -0.193 55.228 55.803 -0.637 0.000 0.874 263 Q CB 0.036 28.498 28.738 -0.458 0.000 1.215 263 Q HN 0.555 nan 8.270 nan 0.000 0.470 264 F N 1.963 121.675 119.950 -0.396 0.000 2.418 264 F HA 0.114 4.641 4.527 -0.000 0.000 0.341 264 F C 1.259 176.766 175.800 -0.488 0.000 1.120 264 F CA -0.071 57.689 58.000 -0.399 0.000 1.232 264 F CB 0.793 39.427 39.000 -0.611 0.000 1.175 264 F HN 0.594 nan 8.300 nan 0.000 0.569 265 D N 1.334 121.682 120.400 -0.088 0.000 2.144 265 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 265 D C 2.028 178.309 176.300 -0.031 0.000 0.978 265 D CA 1.559 55.531 54.000 -0.047 0.000 0.833 265 D CB -0.332 40.517 40.800 0.081 0.000 0.961 265 D HN 0.518 nan 8.370 nan 0.000 0.470 266 F N -1.498 118.525 119.950 0.121 0.000 2.293 266 F HA 0.226 4.753 4.527 -0.000 0.000 0.300 266 F C 1.736 177.554 175.800 0.031 0.000 1.086 266 F CA 1.076 59.135 58.000 0.099 0.000 1.375 266 F CB -0.335 38.744 39.000 0.132 0.000 1.045 266 F HN 0.008 nan 8.300 nan 0.000 0.516 267 G N 0.011 108.589 108.800 -0.370 0.000 3.468 267 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 267 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 267 G C -0.525 174.174 174.900 -0.335 0.000 0.968 267 G CA -0.155 44.672 45.100 -0.455 0.000 0.851 267 G HN 0.280 nan 8.290 nan 0.000 0.524 268 L N 2.050 123.124 121.223 -0.247 0.000 2.380 268 L HA 0.753 5.093 4.340 -0.000 0.000 0.273 268 L C 0.546 177.522 176.870 0.177 0.000 1.138 268 L CA -0.194 54.714 54.840 0.112 0.000 0.832 268 L CB 0.834 43.063 42.059 0.285 0.000 1.124 268 L HN 0.220 nan 8.230 nan 0.000 0.454 269 R N 5.776 126.412 120.500 0.227 0.000 2.629 269 R HA 0.439 4.779 4.340 -0.000 0.000 0.275 269 R C -2.669 173.813 176.300 0.304 0.000 1.719 269 R CA -1.588 54.656 56.100 0.240 0.000 1.472 269 R CB 0.900 31.369 30.300 0.282 0.000 1.237 269 R HN 0.463 nan 8.270 nan 0.000 0.589 270 P HA 0.190 nan 4.420 nan 0.000 0.274 270 P C -1.034 176.418 177.300 0.252 0.000 1.237 270 P CA -0.025 63.193 63.100 0.197 0.000 0.793 270 P CB 0.416 32.239 31.700 0.205 0.000 0.977 271 F N 0.101 120.143 119.950 0.153 0.000 2.613 271 F HA 0.779 5.306 4.527 -0.000 0.000 0.314 271 F C -1.555 174.325 175.800 0.133 0.000 1.075 271 F CA -1.511 56.571 58.000 0.137 0.000 0.945 271 F CB 1.273 40.347 39.000 0.124 0.000 1.310 271 F HN 0.081 nan 8.300 nan 0.000 0.467 272 L N 2.557 123.977 121.223 0.330 0.000 2.563 272 L HA 0.845 5.185 4.340 -0.000 0.000 0.259 272 L C -1.161 175.868 176.870 0.265 0.000 1.034 272 L CA -0.674 54.301 54.840 0.225 0.000 0.899 272 L CB 0.601 42.733 42.059 0.121 0.000 1.159 272 L HN 1.087 nan 8.230 nan 0.000 0.456 273 A N 3.295 126.311 122.820 0.326 0.000 2.281 273 A HA 0.850 5.170 4.320 -0.000 0.000 0.329 273 A C -1.777 175.948 177.584 0.235 0.000 1.122 273 A CA -0.425 51.756 52.037 0.240 0.000 0.850 273 A CB 1.096 20.221 19.000 0.209 0.000 1.207 273 A HN 0.776 nan 8.150 nan 0.000 0.495 274 Y N 0.038 120.324 120.300 -0.022 0.000 2.441 274 Y HA 0.629 5.179 4.550 -0.000 0.000 0.334 274 Y C -1.969 173.817 175.900 -0.190 0.000 1.061 274 Y CA -1.200 56.857 58.100 -0.071 0.000 1.032 274 Y CB 1.148 39.632 38.460 0.041 0.000 1.266 274 Y HN 0.606 nan 8.280 nan 0.000 0.441 275 L N 4.783 125.506 121.223 -0.833 0.000 2.309 275 L HA 0.734 5.074 4.340 -0.000 0.000 0.261 275 L C -1.021 175.354 176.870 -0.825 0.000 1.021 275 L CA -0.671 53.661 54.840 -0.846 0.000 0.823 275 L CB 2.398 43.948 42.059 -0.848 0.000 1.366 275 L HN 0.715 nan 8.230 nan 0.000 0.423 276 Q N 0.211 119.724 119.800 -0.479 0.000 2.403 276 Q HA 0.501 4.841 4.340 -0.000 0.000 0.267 276 Q C -1.763 174.160 176.000 -0.129 0.000 0.991 276 Q CA -0.285 55.369 55.803 -0.249 0.000 0.906 276 Q CB 1.971 30.591 28.738 -0.197 0.000 1.422 276 Q HN 0.501 nan 8.270 nan 0.000 0.400 277 S N 3.573 119.242 115.700 -0.051 0.000 2.293 277 S HA 0.329 4.799 4.470 -0.000 0.000 0.154 277 S C -1.276 173.343 174.600 0.032 0.000 1.602 277 S CA -0.542 57.651 58.200 -0.012 0.000 1.260 277 S CB 0.283 63.484 63.200 0.002 0.000 1.270 277 S HN 0.456 nan 8.310 nan 0.000 0.416 278 K N 2.016 122.430 120.400 0.022 0.000 2.378 278 K HA 0.275 4.595 4.320 -0.000 0.000 0.288 278 K C 0.586 177.217 176.600 0.051 0.000 1.057 278 K CA -0.132 56.177 56.287 0.038 0.000 0.971 278 K CB 0.823 33.342 32.500 0.031 0.000 0.975 278 K HN 0.565 nan 8.250 nan 0.000 0.475 279 G N 4.052 112.881 108.800 0.048 0.000 2.356 279 G HA2 0.133 4.093 3.960 -0.000 0.000 0.312 279 G HA3 0.133 4.093 3.960 -0.000 0.000 0.312 279 G C -0.216 174.692 174.900 0.013 0.000 1.096 279 G CA -0.586 44.546 45.100 0.054 0.000 0.950 279 G HN 0.326 nan 8.290 nan 0.000 0.428 280 K N 1.910 122.337 120.400 0.045 0.000 2.118 280 K HA 0.169 4.489 4.320 -0.000 0.000 0.264 280 K C 0.557 177.173 176.600 0.027 0.000 1.000 280 K CA -1.093 55.212 56.287 0.030 0.000 0.929 280 K CB 0.724 33.254 32.500 0.050 0.000 1.021 280 K HN 0.508 nan 8.250 nan 0.000 0.463 281 N N 2.220 120.928 118.700 0.013 0.000 3.044 281 N HA -0.207 4.533 4.740 -0.000 0.000 0.308 281 N C 0.555 176.090 175.510 0.042 0.000 1.097 281 N CA 0.244 53.304 53.050 0.018 0.000 0.828 281 N CB -0.301 38.194 38.487 0.013 0.000 0.968 281 N HN 0.461 nan 8.380 nan 0.000 0.623 282 L N 1.246 122.500 121.223 0.052 0.000 2.240 282 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 282 L C 1.634 178.586 176.870 0.137 0.000 1.106 282 L CA 0.659 55.559 54.840 0.101 0.000 0.793 282 L CB -0.686 41.432 42.059 0.098 0.000 0.927 282 L HN 0.703 nan 8.230 nan 0.000 0.446 283 G N 0.095 108.971 108.800 0.127 0.000 2.756 283 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.678 283 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.678 283 G C 0.236 175.244 174.900 0.180 0.000 1.349 283 G CA -0.081 45.090 45.100 0.118 0.000 0.847 283 G HN 0.371 nan 8.290 nan 0.000 0.548 284 R N -1.009 119.553 120.500 0.104 0.000 3.532 284 R HA -0.017 4.323 4.340 -0.000 0.000 0.284 284 R C 1.211 177.448 176.300 -0.105 0.000 1.140 284 R CA 2.031 58.175 56.100 0.073 0.000 0.768 284 R CB -1.585 28.830 30.300 0.191 0.000 1.252 284 R HN 2.949 nan 8.270 nan 0.000 0.454 285 G N -1.115 107.607 108.800 -0.130 0.000 2.289 285 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 285 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 285 G C -0.232 174.374 174.900 -0.489 0.000 1.089 285 G CA 0.479 45.416 45.100 -0.273 0.000 0.939 285 G HN 0.509 nan 8.290 nan 0.000 0.499 286 Y N -0.992 119.306 120.300 -0.003 0.000 3.087 286 Y HA 0.217 4.767 4.550 -0.000 0.000 0.227 286 Y C 1.497 177.317 175.900 -0.134 0.000 1.015 286 Y CA 0.527 58.588 58.100 -0.064 0.000 1.399 286 Y CB 0.113 38.529 38.460 -0.074 0.000 1.483 286 Y HN 0.358 nan 8.280 nan 0.000 0.420 287 D N 0.128 120.565 120.400 0.060 0.000 3.455 287 D HA -0.213 4.427 4.640 -0.000 0.000 0.216 287 D C -1.079 175.168 176.300 -0.088 0.000 1.510 287 D CA 1.249 55.242 54.000 -0.011 0.000 1.128 287 D CB -1.033 39.760 40.800 -0.012 0.000 0.680 287 D HN 0.177 nan 8.370 nan 0.000 0.828 288 D N 2.427 122.785 120.400 -0.071 0.000 2.398 288 D HA 0.254 4.894 4.640 -0.000 0.000 0.250 288 D C 0.147 176.365 176.300 -0.138 0.000 1.287 288 D CA 0.732 54.682 54.000 -0.083 0.000 0.992 288 D CB 0.159 40.939 40.800 -0.034 0.000 1.071 288 D HN 0.098 nan 8.370 nan 0.000 0.514 289 E N 1.244 121.281 120.200 -0.271 0.000 2.299 289 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 289 E C -0.719 175.793 176.600 -0.146 0.000 0.911 289 E CA -0.855 55.343 56.400 -0.337 0.000 0.789 289 E CB 1.573 30.687 29.700 -0.978 0.000 1.246 289 E HN 0.166 nan 8.360 nan 0.000 0.427 290 D N 1.313 121.731 120.400 0.030 0.000 2.277 290 D HA 0.209 4.849 4.640 -0.000 0.000 0.249 290 D C 1.074 177.539 176.300 0.274 0.000 1.134 290 D CA -0.105 53.969 54.000 0.124 0.000 0.863 290 D CB 0.979 41.846 40.800 0.111 0.000 1.143 290 D HN 0.309 nan 8.370 nan 0.000 0.458 291 I N 1.323 122.030 120.570 0.228 0.000 2.584 291 I HA 0.002 4.172 4.170 -0.000 0.000 0.255 291 I C 0.298 176.472 176.117 0.095 0.000 1.145 291 I CA 0.613 62.037 61.300 0.206 0.000 1.462 291 I CB 0.136 38.225 38.000 0.148 0.000 1.102 291 I HN 0.192 nan 8.210 nan 0.000 0.433 292 L N 0.151 121.426 121.223 0.086 0.000 2.612 292 L HA 0.471 4.811 4.340 -0.000 0.000 0.256 292 L C -1.266 175.650 176.870 0.075 0.000 0.949 292 L CA -0.475 54.416 54.840 0.086 0.000 0.867 292 L CB 1.822 43.926 42.059 0.075 0.000 1.417 292 L HN -0.055 nan 8.230 nan 0.000 0.414 293 K N 3.617 124.100 120.400 0.139 0.000 2.592 293 K HA 0.548 4.868 4.320 -0.000 0.000 0.265 293 K C -2.301 174.451 176.600 0.254 0.000 1.006 293 K CA -0.542 55.812 56.287 0.112 0.000 0.907 293 K CB 1.170 33.751 32.500 0.135 0.000 1.309 293 K HN 0.619 nan 8.250 nan 0.000 0.452 294 Y N -0.345 120.005 120.300 0.084 0.000 2.558 294 Y HA 0.559 5.109 4.550 -0.000 0.000 0.333 294 Y C -1.587 174.452 175.900 0.231 0.000 1.125 294 Y CA -1.272 56.902 58.100 0.123 0.000 1.039 294 Y CB 0.940 39.420 38.460 0.033 0.000 1.331 294 Y HN 0.008 nan 8.280 nan 0.000 0.456 295 V N 2.479 122.607 119.914 0.358 0.000 2.567 295 V HA 0.374 4.494 4.120 -0.000 0.000 0.289 295 V C -0.942 175.365 176.094 0.356 0.000 1.049 295 V CA -0.014 62.468 62.300 0.303 0.000 0.969 295 V CB 1.506 33.434 31.823 0.176 0.000 0.995 295 V HN 0.831 nan 8.190 nan 0.000 0.471 296 D N 2.990 123.598 120.400 0.346 0.000 2.620 296 D HA 0.598 5.238 4.640 -0.000 0.000 0.252 296 D C -1.318 175.231 176.300 0.415 0.000 1.207 296 D CA -0.099 54.170 54.000 0.447 0.000 0.884 296 D CB 1.762 42.899 40.800 0.562 0.000 1.262 296 D HN 0.260 nan 8.370 nan 0.000 0.552 297 V N 3.076 123.157 119.914 0.278 0.000 2.623 297 V HA 0.979 5.099 4.120 -0.000 0.000 0.304 297 V C 0.698 176.654 176.094 -0.231 0.000 1.054 297 V CA -0.255 62.017 62.300 -0.046 0.000 0.882 297 V CB 1.316 33.093 31.823 -0.078 0.000 1.002 297 V HN 0.698 nan 8.190 nan 0.000 0.424 298 G N 2.516 110.675 108.800 -1.069 0.000 2.726 298 G HA2 0.942 4.902 3.960 -0.000 0.000 0.198 298 G HA3 0.942 4.902 3.960 -0.000 0.000 0.198 298 G C -1.141 173.302 174.900 -0.762 0.000 1.195 298 G CA 0.083 44.801 45.100 -0.638 0.000 0.951 298 G HN 1.598 nan 8.290 nan 0.000 0.532 299 A N -0.915 121.833 122.820 -0.119 0.000 2.572 299 A HA 0.654 4.974 4.320 -0.000 0.000 0.303 299 A C -0.675 177.112 177.584 0.338 0.000 1.059 299 A CA -0.102 52.029 52.037 0.156 0.000 0.788 299 A CB 0.707 19.766 19.000 0.098 0.000 1.282 299 A HN 1.130 nan 8.150 nan 0.000 0.397 300 T N 1.913 116.643 114.554 0.293 0.000 2.845 300 T HA 0.518 4.868 4.350 -0.000 0.000 0.288 300 T C -0.634 174.011 174.700 -0.092 0.000 0.980 300 T CA 0.138 62.265 62.100 0.044 0.000 1.071 300 T CB 0.661 69.367 68.868 -0.271 0.000 0.941 300 T HN 0.611 nan 8.240 nan 0.000 0.487 301 Y N 2.571 122.728 120.300 -0.239 0.000 2.341 301 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 301 Y C -1.428 174.204 175.900 -0.447 0.000 1.014 301 Y CA -1.461 56.473 58.100 -0.277 0.000 1.111 301 Y CB 0.836 39.155 38.460 -0.234 0.000 1.194 301 Y HN 0.604 nan 8.280 nan 0.000 0.462 302 Y N 7.437 127.288 120.300 -0.748 0.000 2.478 302 Y HA 0.250 4.800 4.550 -0.000 0.000 0.329 302 Y C 0.207 175.726 175.900 -0.635 0.000 0.967 302 Y CA -0.828 57.000 58.100 -0.452 0.000 1.255 302 Y CB 0.227 38.523 38.460 -0.274 0.000 1.103 302 Y HN 0.687 nan 8.280 nan 0.000 0.497 303 F N 1.264 121.178 119.950 -0.059 0.000 2.069 303 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 303 F C 0.891 176.727 175.800 0.061 0.000 1.113 303 F CA 1.501 59.564 58.000 0.106 0.000 1.214 303 F CB -0.171 38.959 39.000 0.218 0.000 0.978 303 F HN 0.566 nan 8.300 nan 0.000 0.474 304 N N -2.555 116.319 118.700 0.290 0.000 3.517 304 N HA 0.168 4.908 4.740 -0.000 0.000 0.329 304 N C -0.486 175.097 175.510 0.122 0.000 1.569 304 N CA -0.867 52.273 53.050 0.149 0.000 0.852 304 N CB 0.392 38.959 38.487 0.134 0.000 1.955 304 N HN -0.239 nan 8.380 nan 0.000 0.555 305 K N -0.840 119.586 120.400 0.043 0.000 2.525 305 K HA 0.212 4.532 4.320 -0.000 0.000 0.192 305 K C 0.121 176.721 176.600 -0.001 0.000 1.029 305 K CA 0.749 57.037 56.287 0.001 0.000 1.029 305 K CB -0.370 32.104 32.500 -0.043 0.000 0.814 305 K HN 0.395 nan 8.250 nan 0.000 0.503 306 N N -0.729 117.980 118.700 0.015 0.000 2.460 306 N HA 0.073 4.813 4.740 -0.000 0.000 0.193 306 N C -0.308 175.154 175.510 -0.081 0.000 1.080 306 N CA -0.004 52.989 53.050 -0.094 0.000 0.869 306 N CB 0.440 38.886 38.487 -0.067 0.000 1.201 306 N HN -0.039 nan 8.380 nan 0.000 0.457 307 M N 0.787 120.449 119.600 0.103 0.000 2.456 307 M HA 0.493 4.973 4.480 -0.000 0.000 0.324 307 M C -1.315 175.216 176.300 0.385 0.000 1.124 307 M CA -0.786 54.617 55.300 0.172 0.000 0.959 307 M CB 1.672 34.302 32.600 0.049 0.000 1.692 307 M HN 0.088 nan 8.290 nan 0.000 0.444 308 S N 1.724 117.662 115.700 0.397 0.000 2.596 308 S HA 0.896 5.366 4.470 -0.000 0.000 0.270 308 S C -0.954 173.913 174.600 0.446 0.000 1.155 308 S CA -0.709 57.761 58.200 0.450 0.000 0.827 308 S CB 1.938 65.267 63.200 0.215 0.000 1.130 308 S HN 0.836 nan 8.310 nan 0.000 0.467 309 T N 1.057 115.850 114.554 0.400 0.000 2.894 309 T HA 0.751 5.101 4.350 -0.000 0.000 0.309 309 T C -2.183 172.668 174.700 0.250 0.000 1.208 309 T CA -0.552 61.725 62.100 0.294 0.000 1.016 309 T CB 1.197 70.291 68.868 0.378 0.000 1.192 309 T HN 1.311 nan 8.240 nan 0.000 0.491 310 Y N 0.174 120.547 120.300 0.122 0.000 2.624 310 Y HA 0.804 5.354 4.550 -0.000 0.000 0.334 310 Y C -1.996 173.999 175.900 0.158 0.000 1.155 310 Y CA -1.202 56.973 58.100 0.124 0.000 1.046 310 Y CB 0.572 39.097 38.460 0.109 0.000 1.316 310 Y HN 0.412 nan 8.280 nan 0.000 0.457 311 V N 2.191 122.346 119.914 0.402 0.000 2.628 311 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 311 V C -1.349 175.071 176.094 0.542 0.000 1.045 311 V CA -0.418 62.100 62.300 0.363 0.000 0.905 311 V CB 1.747 33.715 31.823 0.241 0.000 0.997 311 V HN 0.822 nan 8.190 nan 0.000 0.436 312 D N 2.234 122.958 120.400 0.540 0.000 2.736 312 D HA 0.268 4.908 4.640 -0.000 0.000 0.243 312 D C -1.804 174.851 176.300 0.592 0.000 1.304 312 D CA -0.328 54.067 54.000 0.658 0.000 0.934 312 D CB 1.422 42.568 40.800 0.576 0.000 1.382 312 D HN 0.398 nan 8.370 nan 0.000 0.571 313 Y N 3.340 123.874 120.300 0.391 0.000 2.478 313 Y HA 0.294 4.844 4.550 -0.000 0.000 0.329 313 Y C -0.109 175.871 175.900 0.134 0.000 0.967 313 Y CA -0.907 57.322 58.100 0.216 0.000 1.255 313 Y CB 0.823 39.362 38.460 0.132 0.000 1.103 313 Y HN 0.205 nan 8.280 nan 0.000 0.497 314 K N 7.079 127.508 120.400 0.048 0.000 2.310 314 K HA 0.324 4.643 4.320 -0.000 0.000 0.290 314 K C -0.877 175.761 176.600 0.063 0.000 1.077 314 K CA -0.121 56.056 56.287 -0.184 0.000 0.922 314 K CB 0.111 31.998 32.500 -1.022 0.000 1.057 314 K HN 0.737 nan 8.250 nan 0.000 0.479 315 I N 4.672 125.383 120.570 0.235 0.000 2.276 315 I HA 0.037 4.207 4.170 -0.000 0.000 0.290 315 I C 0.051 176.271 176.117 0.172 0.000 1.109 315 I CA -0.678 60.754 61.300 0.220 0.000 1.229 315 I CB 0.380 38.483 38.000 0.172 0.000 1.452 315 I HN 0.528 nan 8.210 nan 0.000 0.497 316 N N 6.283 125.027 118.700 0.074 0.000 2.405 316 N HA 0.142 4.882 4.740 -0.000 0.000 0.260 316 N C 0.684 176.257 175.510 0.106 0.000 1.152 316 N CA 0.126 53.219 53.050 0.072 0.000 0.948 316 N CB 0.981 39.441 38.487 -0.044 0.000 1.111 316 N HN 0.549 nan 8.380 nan 0.000 0.485 317 L N 3.006 124.323 121.223 0.156 0.000 2.599 317 L HA 0.134 4.474 4.340 -0.000 0.000 0.230 317 L C 0.615 177.549 176.870 0.107 0.000 1.141 317 L CA 0.061 54.978 54.840 0.129 0.000 0.877 317 L CB -0.129 42.024 42.059 0.157 0.000 1.009 317 L HN 0.361 nan 8.230 nan 0.000 0.447 318 L N 0.727 122.011 121.223 0.102 0.000 2.453 318 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 318 L C -0.108 176.803 176.870 0.068 0.000 1.182 318 L CA -0.009 54.883 54.840 0.087 0.000 0.858 318 L CB 0.229 42.332 42.059 0.074 0.000 1.120 318 L HN 0.028 nan 8.230 nan 0.000 0.474 319 D N 1.287 121.731 120.400 0.073 0.000 2.283 319 D HA 0.144 4.784 4.640 -0.000 0.000 0.248 319 D C -0.501 175.835 176.300 0.061 0.000 1.072 319 D CA -0.292 53.745 54.000 0.063 0.000 0.929 319 D CB 0.981 41.820 40.800 0.065 0.000 1.182 319 D HN 0.384 nan 8.370 nan 0.000 0.433 320 D N -0.039 120.389 120.400 0.048 0.000 2.317 320 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 320 D C -0.617 175.717 176.300 0.057 0.000 1.174 320 D CA -0.164 53.862 54.000 0.042 0.000 0.866 320 D CB 0.132 40.949 40.800 0.029 0.000 1.127 320 D HN 0.477 nan 8.370 nan 0.000 0.467 321 N N 0.442 119.186 118.700 0.073 0.000 3.106 321 N HA 0.206 4.946 4.740 -0.000 0.000 0.253 321 N C 0.431 176.013 175.510 0.119 0.000 1.506 321 N CA -0.965 52.144 53.050 0.098 0.000 0.876 321 N CB 0.917 39.478 38.487 0.124 0.000 1.452 321 N HN 0.042 nan 8.380 nan 0.000 0.542 322 R N -0.709 119.882 120.500 0.151 0.000 2.096 322 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 322 R C 1.359 177.818 176.300 0.264 0.000 1.139 322 R CA 1.782 57.992 56.100 0.184 0.000 0.952 322 R CB -0.615 29.800 30.300 0.192 0.000 0.854 322 R HN 0.654 nan 8.270 nan 0.000 0.436 323 F N 1.476 121.534 119.950 0.181 0.000 2.126 323 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 323 F C 2.246 178.025 175.800 -0.034 0.000 1.096 323 F CA 2.100 60.140 58.000 0.067 0.000 1.255 323 F CB -0.546 38.486 39.000 0.053 0.000 0.997 323 F HN 0.113 nan 8.300 nan 0.000 0.479 324 T N -2.302 112.230 114.554 -0.037 0.000 3.194 324 T HA 0.160 4.510 4.350 -0.000 0.000 0.251 324 T C 1.746 176.379 174.700 -0.112 0.000 1.132 324 T CA 0.227 62.241 62.100 -0.144 0.000 1.028 324 T CB -0.164 68.701 68.868 -0.005 0.000 0.976 324 T HN 0.347 nan 8.240 nan 0.000 0.535 325 R N -0.054 120.403 120.500 -0.071 0.000 2.197 325 R HA 0.191 4.531 4.340 -0.000 0.000 0.188 325 R C 1.636 177.902 176.300 -0.057 0.000 1.015 325 R CA 0.464 56.536 56.100 -0.046 0.000 1.132 325 R CB 0.042 30.345 30.300 0.005 0.000 1.134 325 R HN 0.223 nan 8.270 nan 0.000 0.560 326 D N 1.475 121.863 120.400 -0.019 0.000 2.116 326 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 326 D C 1.662 177.898 176.300 -0.106 0.000 0.998 326 D CA 1.781 55.780 54.000 -0.002 0.000 0.836 326 D CB -0.158 40.726 40.800 0.140 0.000 0.951 326 D HN 0.261 nan 8.370 nan 0.000 0.449 327 A N -0.275 122.389 122.820 -0.261 0.000 1.968 327 A HA 0.268 4.588 4.320 -0.000 0.000 0.217 327 A C 1.761 179.188 177.584 -0.261 0.000 1.169 327 A CA 1.563 53.389 52.037 -0.352 0.000 0.638 327 A CB -0.462 18.142 19.000 -0.661 0.000 0.812 327 A HN 0.354 nan 8.150 nan 0.000 0.446 328 G N -0.830 107.842 108.800 -0.213 0.000 2.248 328 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.263 328 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.263 328 G C -0.134 174.665 174.900 -0.168 0.000 1.082 328 G CA 0.160 45.167 45.100 -0.155 0.000 0.863 328 G HN 0.495 nan 8.290 nan 0.000 0.495 329 I N 0.602 121.056 120.570 -0.192 0.000 2.304 329 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 329 I C 0.775 176.825 176.117 -0.112 0.000 1.018 329 I CA -0.993 60.205 61.300 -0.169 0.000 1.260 329 I CB 0.976 38.851 38.000 -0.208 0.000 1.390 329 I HN 0.200 nan 8.210 nan 0.000 0.475 330 N N 4.553 123.195 118.700 -0.097 0.000 2.332 330 N HA -0.116 4.624 4.740 -0.000 0.000 0.274 330 N C 1.123 176.592 175.510 -0.069 0.000 1.351 330 N CA 0.532 53.535 53.050 -0.078 0.000 0.875 330 N CB 0.632 39.068 38.487 -0.084 0.000 1.140 330 N HN 0.714 nan 8.380 nan 0.000 0.489 331 T N -1.114 113.412 114.554 -0.047 0.000 3.086 331 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 331 T C 0.114 174.799 174.700 -0.026 0.000 1.074 331 T CA -0.238 61.847 62.100 -0.024 0.000 0.988 331 T CB 0.030 68.896 68.868 -0.003 0.000 0.988 331 T HN 0.322 nan 8.240 nan 0.000 0.530 332 D N 2.045 122.417 120.400 -0.046 0.000 2.340 332 D HA 0.350 4.990 4.640 -0.000 0.000 0.251 332 D C -0.580 175.668 176.300 -0.086 0.000 1.080 332 D CA -0.419 53.554 54.000 -0.044 0.000 0.971 332 D CB 1.034 41.813 40.800 -0.035 0.000 1.137 332 D HN 0.188 nan 8.370 nan 0.000 0.475 333 D N -0.066 120.292 120.400 -0.071 0.000 2.344 333 D HA 0.415 5.055 4.640 -0.000 0.000 0.244 333 D C -0.038 176.146 176.300 -0.193 0.000 1.134 333 D CA 0.084 54.013 54.000 -0.118 0.000 0.930 333 D CB 0.961 41.737 40.800 -0.039 0.000 1.175 333 D HN 0.193 nan 8.370 nan 0.000 0.437 334 I N 0.144 120.515 120.570 -0.331 0.000 2.686 334 I HA 0.360 4.530 4.170 -0.000 0.000 0.295 334 I C -0.995 174.912 176.117 -0.351 0.000 1.114 334 I CA -1.067 60.024 61.300 -0.348 0.000 1.038 334 I CB 2.268 39.970 38.000 -0.497 0.000 1.238 334 I HN -0.088 nan 8.210 nan 0.000 0.420 335 V N 4.038 123.846 119.914 -0.176 0.000 2.531 335 V HA 0.707 4.827 4.120 -0.000 0.000 0.301 335 V C -0.085 176.069 176.094 0.100 0.000 1.034 335 V CA -0.417 61.854 62.300 -0.049 0.000 0.865 335 V CB 1.832 33.563 31.823 -0.153 0.000 0.995 335 V HN 0.852 nan 8.190 nan 0.000 0.424 336 A N 5.203 128.127 122.820 0.173 0.000 2.317 336 A HA 0.856 5.176 4.320 -0.000 0.000 0.327 336 A C -1.053 176.614 177.584 0.140 0.000 1.178 336 A CA -0.468 51.625 52.037 0.092 0.000 0.817 336 A CB 1.124 20.102 19.000 -0.036 0.000 1.189 336 A HN 0.795 nan 8.150 nan 0.000 0.489 337 L N 3.130 124.383 121.223 0.050 0.000 2.324 337 L HA 0.658 4.998 4.340 -0.000 0.000 0.274 337 L C 0.363 177.085 176.870 -0.247 0.000 1.012 337 L CA 0.039 54.858 54.840 -0.036 0.000 0.859 337 L CB 0.976 43.112 42.059 0.128 0.000 1.224 337 L HN 0.726 nan 8.230 nan 0.000 0.429 338 G N 4.098 112.442 108.800 -0.760 0.000 2.389 338 G HA2 0.571 4.531 3.960 -0.000 0.000 0.317 338 G HA3 0.571 4.531 3.960 -0.000 0.000 0.317 338 G C -1.730 172.906 174.900 -0.440 0.000 1.137 338 G CA -0.444 44.142 45.100 -0.856 0.000 0.870 338 G HN 0.542 nan 8.290 nan 0.000 0.496 339 L N 2.390 123.515 121.223 -0.162 0.000 2.491 339 L HA 0.634 4.974 4.340 -0.000 0.000 0.267 339 L C -1.096 175.794 176.870 0.033 0.000 0.971 339 L CA -0.832 54.004 54.840 -0.007 0.000 0.857 339 L CB 2.048 44.113 42.059 0.009 0.000 1.226 339 L HN 0.324 nan 8.230 nan 0.000 0.408 340 V N 5.264 125.240 119.914 0.103 0.000 2.447 340 V HA 0.352 4.472 4.120 -0.000 0.000 0.292 340 V C -0.741 175.436 176.094 0.138 0.000 1.021 340 V CA -0.710 61.652 62.300 0.103 0.000 0.850 340 V CB 1.122 33.022 31.823 0.127 0.000 1.005 340 V HN 0.699 nan 8.190 nan 0.000 0.426 341 Y N 5.277 125.592 120.300 0.025 0.000 2.301 341 Y HA 0.666 5.216 4.550 -0.000 0.000 0.325 341 Y C 0.241 176.191 175.900 0.083 0.000 1.203 341 Y CA 0.059 58.189 58.100 0.050 0.000 1.255 341 Y CB 1.119 39.597 38.460 0.031 0.000 1.232 341 Y HN 0.787 nan 8.280 nan 0.000 0.501 342 Q N 5.051 124.375 119.800 -0.794 0.000 2.648 342 Q HA 0.547 4.887 4.340 -0.000 0.000 0.300 342 Q C -1.994 173.690 176.000 -0.528 0.000 0.954 342 Q CA -0.893 54.626 55.803 -0.473 0.000 0.757 342 Q CB 2.817 31.420 28.738 -0.225 0.000 1.482 342 Q HN 0.761 nan 8.270 nan 0.000 0.437 343 F N 0.000 119.790 119.950 -0.267 0.000 2.286 343 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 343 F CA 0.000 57.933 58.000 -0.112 0.000 1.383 343 F CB 0.000 39.015 39.000 0.025 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574