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 2vdx_1_A DATA FIRST_RESID 16 DATA SEQUENCE GLASANVDFA FSLYKHLVAL SPKKNIFISP VSISMALAML SLGTCGHTRA DATA SEQUENCE QLLQGLGFNL TERSETEIHQ GFQHLHQLFA KSDTSLEMTM GNALFLDGSL DATA SEQUENCE ELLESFSADI KHYYESEVLA MNFQDWATAS RQINSYVKNK TQGKIVDLFS DATA SEQUENCE GXDSPAILVL VNYIFFKGTW TQPFDLASTR EENFYVDETT VVKVPMMLQS DATA SEQUENCE STISYLHDSE LPCQLVQMNY VGNGTVFFIL PDKGKMNTVI AALSRDTINR DATA SEQUENCE WSAGLTSSQV DLYIPKVTIS GVYDLGDVLE EMGIADLFTT QANFSRITQD DATA SEQUENCE AQLKSSKVVH KAVLQLNEEG TEAAGAMFLE AIPRXKPIIL RFNQPFIIMI DATA SEQUENCE FDHFTWSSLF LARVMNPV 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 16 G C 0.000 174.908 174.900 0.014 0.000 0.946 16 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 17 L N 0.727 121.968 121.223 0.029 0.000 2.017 17 L HA 0.207 4.549 4.340 0.002 0.000 0.208 17 L C 3.077 179.933 176.870 -0.024 0.000 1.073 17 L CA 3.396 58.274 54.840 0.063 0.000 0.745 17 L CB -0.720 41.314 42.059 -0.043 0.000 0.894 17 L HN 0.907 nan 8.230 nan 0.000 0.432 18 A N -0.507 122.288 122.820 -0.043 0.000 1.892 18 A HA -0.283 4.039 4.320 0.002 0.000 0.218 18 A C 2.482 180.056 177.584 -0.017 0.000 1.188 18 A CA 2.623 54.654 52.037 -0.012 0.000 0.631 18 A CB -1.308 17.698 19.000 0.011 0.000 0.822 18 A HN 0.707 nan 8.150 nan 0.000 0.447 19 S N 0.105 115.776 115.700 -0.047 0.000 2.368 19 S HA 0.065 4.536 4.470 0.002 0.000 0.224 19 S C 2.139 176.689 174.600 -0.083 0.000 1.029 19 S CA 1.330 59.494 58.200 -0.061 0.000 0.988 19 S CB -0.789 62.369 63.200 -0.070 0.000 0.838 19 S HN 0.946 nan 8.310 nan 0.000 0.462 20 A N 2.996 125.728 122.820 -0.147 0.000 1.902 20 A HA -0.110 4.212 4.320 0.002 0.000 0.217 20 A C 2.151 179.599 177.584 -0.227 0.000 1.181 20 A CA 1.730 53.586 52.037 -0.302 0.000 0.623 20 A CB -0.944 17.627 19.000 -0.715 0.000 0.818 20 A HN 0.526 nan 8.150 nan 0.000 0.443 21 N N 0.067 118.683 118.700 -0.139 0.000 2.120 21 N HA -0.108 4.634 4.740 0.002 0.000 0.188 21 N C 1.663 177.185 175.510 0.021 0.000 1.024 21 N CA 1.519 54.566 53.050 -0.005 0.000 0.852 21 N CB -0.573 37.931 38.487 0.028 0.000 1.003 21 N HN 0.250 nan 8.380 nan 0.000 0.424 22 V N 1.737 121.637 119.914 -0.022 0.000 2.307 22 V HA -0.190 3.931 4.120 0.002 0.000 0.245 22 V C 1.611 177.636 176.094 -0.115 0.000 1.045 22 V CA 1.617 63.854 62.300 -0.105 0.000 1.024 22 V CB -0.460 31.354 31.823 -0.014 0.000 0.651 22 V HN 0.208 nan 8.190 nan 0.000 0.449 23 D N -0.353 120.047 120.400 -0.000 0.000 2.104 23 D HA -0.205 4.436 4.640 0.002 0.000 0.194 23 D C 1.904 178.248 176.300 0.073 0.000 0.994 23 D CA 1.449 55.486 54.000 0.063 0.000 0.830 23 D CB -0.424 40.390 40.800 0.024 0.000 0.959 23 D HN 0.439 nan 8.370 nan 0.000 0.452 24 F N 1.855 121.755 119.950 -0.082 0.000 2.091 24 F HA -0.246 4.283 4.527 0.003 0.000 0.299 24 F C 2.259 178.033 175.800 -0.044 0.000 1.103 24 F CA 1.835 59.800 58.000 -0.059 0.000 1.228 24 F CB -0.373 38.579 39.000 -0.080 0.000 0.984 24 F HN -0.046 nan 8.300 nan 0.000 0.477 25 A N 0.126 122.905 122.820 -0.069 0.000 1.892 25 A HA -0.228 4.093 4.320 0.002 0.000 0.218 25 A C 2.089 179.553 177.584 -0.200 0.000 1.188 25 A CA 2.069 53.965 52.037 -0.235 0.000 0.631 25 A CB -1.505 17.275 19.000 -0.367 0.000 0.822 25 A HN 0.433 nan 8.150 nan 0.000 0.447 26 F N -0.126 119.797 119.950 -0.046 0.000 2.206 26 F HA -0.045 4.484 4.527 0.003 0.000 0.298 26 F C 2.945 178.752 175.800 0.012 0.000 1.090 26 F CA 0.900 58.901 58.000 0.002 0.000 1.323 26 F CB -0.906 38.092 39.000 -0.004 0.000 1.028 26 F HN 0.271 nan 8.300 nan 0.000 0.492 27 S N 0.175 115.948 115.700 0.121 0.000 2.355 27 S HA -0.166 4.305 4.470 0.002 0.000 0.222 27 S C 2.197 176.854 174.600 0.095 0.000 1.031 27 S CA 1.068 59.328 58.200 0.099 0.000 0.993 27 S CB -0.612 62.618 63.200 0.051 0.000 0.859 27 S HN 0.269 nan 8.310 nan 0.000 0.453 28 L N 0.674 121.767 121.223 -0.216 0.000 2.012 28 L HA -0.090 4.252 4.340 0.002 0.000 0.210 28 L C 2.138 178.986 176.870 -0.036 0.000 1.073 28 L CA 2.310 56.993 54.840 -0.261 0.000 0.748 28 L CB -1.043 40.668 42.059 -0.580 0.000 0.891 28 L HN 0.531 nan 8.230 nan 0.000 0.431 29 Y N 0.469 120.704 120.300 -0.107 0.000 2.128 29 Y HA -0.300 4.251 4.550 0.002 0.000 0.284 29 Y C 2.490 178.380 175.900 -0.017 0.000 1.154 29 Y CA 2.237 60.308 58.100 -0.048 0.000 1.149 29 Y CB -0.249 38.230 38.460 0.032 0.000 0.976 29 Y HN 0.184 nan 8.280 nan 0.000 0.505 30 K N -1.157 119.269 120.400 0.042 0.000 2.063 30 K HA -0.234 4.088 4.320 0.002 0.000 0.208 30 K C 1.859 178.348 176.600 -0.184 0.000 1.048 30 K CA 2.024 58.246 56.287 -0.108 0.000 0.928 30 K CB -0.399 32.056 32.500 -0.075 0.000 0.713 30 K HN 0.480 nan 8.250 nan 0.000 0.442 31 H N -0.122 118.887 119.070 -0.102 0.000 2.395 31 H HA -0.070 4.488 4.556 0.002 0.000 0.299 31 H C 1.773 177.036 175.328 -0.108 0.000 1.070 31 H CA 1.021 57.015 56.048 -0.091 0.000 1.356 31 H CB 0.109 29.823 29.762 -0.079 0.000 1.401 31 H HN 0.011 nan 8.280 nan 0.000 0.524 32 L N -0.067 121.137 121.223 -0.032 0.000 2.072 32 L HA -0.094 4.247 4.340 0.002 0.000 0.205 32 L C 2.041 178.826 176.870 -0.142 0.000 1.079 32 L CA 1.000 55.784 54.840 -0.094 0.000 0.752 32 L CB -0.442 41.518 42.059 -0.164 0.000 0.906 32 L HN 0.077 nan 8.230 nan 0.000 0.436 33 V N 0.236 119.996 119.914 -0.257 0.000 2.282 33 V HA -0.359 3.762 4.120 0.002 0.000 0.249 33 V C 2.809 178.825 176.094 -0.130 0.000 1.057 33 V CA 1.810 63.956 62.300 -0.257 0.000 1.032 33 V CB -1.377 30.202 31.823 -0.406 0.000 0.645 33 V HN 0.616 nan 8.190 nan 0.000 0.447 34 A N -0.481 122.269 122.820 -0.116 0.000 1.883 34 A HA -0.174 4.147 4.320 0.002 0.000 0.217 34 A C 2.101 179.664 177.584 -0.034 0.000 1.186 34 A CA 1.900 53.894 52.037 -0.071 0.000 0.624 34 A CB -0.555 18.396 19.000 -0.081 0.000 0.822 34 A HN 0.532 nan 8.150 nan 0.000 0.444 35 L N -0.897 120.313 121.223 -0.020 0.000 2.599 35 L HA 0.083 4.425 4.340 0.002 0.000 0.230 35 L C 1.131 178.011 176.870 0.016 0.000 1.141 35 L CA 0.587 55.430 54.840 0.004 0.000 0.877 35 L CB 0.212 42.281 42.059 0.017 0.000 1.009 35 L HN 0.318 nan 8.230 nan 0.000 0.447 36 S N -0.463 115.242 115.700 0.009 0.000 2.300 36 S HA 0.278 4.750 4.470 0.002 0.000 0.172 36 S C -1.629 172.986 174.600 0.024 0.000 1.484 36 S CA -1.007 57.214 58.200 0.036 0.000 1.265 36 S CB 0.372 63.619 63.200 0.078 0.000 1.313 36 S HN -0.029 nan 8.310 nan 0.000 0.387 37 P HA -0.031 nan 4.420 nan 0.000 0.219 37 P C 0.936 178.257 177.300 0.035 0.000 1.150 37 P CA 0.939 64.049 63.100 0.017 0.000 0.814 37 P CB 0.274 31.983 31.700 0.014 0.000 0.787 38 K N -0.523 119.903 120.400 0.042 0.000 2.244 38 K HA 0.096 4.417 4.320 0.002 0.000 0.200 38 K C 0.988 177.626 176.600 0.062 0.000 1.052 38 K CA 0.349 56.668 56.287 0.052 0.000 0.980 38 K CB 0.201 32.729 32.500 0.046 0.000 0.838 38 K HN 0.128 nan 8.250 nan 0.000 0.481 39 K N 1.647 122.086 120.400 0.066 0.000 2.168 39 K HA 0.110 4.431 4.320 0.002 0.000 0.258 39 K C -0.125 176.537 176.600 0.104 0.000 1.010 39 K CA -0.536 55.798 56.287 0.079 0.000 0.929 39 K CB 0.466 33.017 32.500 0.086 0.000 0.998 39 K HN -0.050 nan 8.250 nan 0.000 0.479 40 N N 1.509 120.273 118.700 0.106 0.000 2.458 40 N HA 0.026 4.767 4.740 0.002 0.000 0.258 40 N C -0.552 175.104 175.510 0.242 0.000 1.219 40 N CA 0.441 53.571 53.050 0.133 0.000 0.902 40 N CB 0.247 38.792 38.487 0.097 0.000 1.076 40 N HN 0.336 nan 8.380 nan 0.000 0.455 41 I N 2.627 123.326 120.570 0.215 0.000 2.362 41 I HA 0.306 4.477 4.170 0.002 0.000 0.289 41 I C -0.783 175.531 176.117 0.328 0.000 0.994 41 I CA -0.556 60.866 61.300 0.204 0.000 1.158 41 I CB 0.796 38.802 38.000 0.010 0.000 1.315 41 I HN 0.290 nan 8.210 nan 0.000 0.451 42 F N 8.963 129.022 119.950 0.183 0.000 2.617 42 F HA 0.676 5.205 4.527 0.003 0.000 0.325 42 F C -0.849 175.062 175.800 0.185 0.000 1.179 42 F CA -0.780 57.321 58.000 0.169 0.000 0.965 42 F CB 1.085 40.172 39.000 0.145 0.000 1.232 42 F HN 0.283 nan 8.300 nan 0.000 0.461 43 I N 1.351 121.666 120.570 -0.424 0.000 3.074 43 I HA 0.665 4.837 4.170 0.002 0.000 0.310 43 I C -1.243 174.783 176.117 -0.151 0.000 1.153 43 I CA -0.951 60.291 61.300 -0.098 0.000 0.993 43 I CB 2.274 40.285 38.000 0.017 0.000 1.237 43 I HN 0.406 nan 8.210 nan 0.000 0.443 44 S N 3.317 119.117 115.700 0.166 0.000 2.528 44 S HA 0.521 4.993 4.470 0.002 0.000 0.303 44 S C -1.941 172.513 174.600 -0.245 0.000 1.123 44 S CA -1.519 56.541 58.200 -0.233 0.000 1.138 44 S CB 0.568 63.613 63.200 -0.258 0.000 0.984 44 S HN 0.568 nan 8.310 nan 0.000 0.474 45 P HA -0.088 nan 4.420 nan 0.000 0.218 45 P C 1.620 178.891 177.300 -0.048 0.000 1.149 45 P CA 0.420 63.450 63.100 -0.118 0.000 0.817 45 P CB 0.105 31.721 31.700 -0.140 0.000 0.785 46 V N -0.226 119.608 119.914 -0.132 0.000 2.392 46 V HA -0.272 3.849 4.120 0.002 0.000 0.249 46 V C 2.510 178.619 176.094 0.026 0.000 1.059 46 V CA 2.643 64.934 62.300 -0.016 0.000 1.051 46 V CB -1.203 30.587 31.823 -0.055 0.000 0.658 46 V HN 0.185 nan 8.190 nan 0.000 0.455 47 S N -0.530 115.123 115.700 -0.079 0.000 2.368 47 S HA -0.152 4.319 4.470 0.002 0.000 0.225 47 S C 1.908 176.471 174.600 -0.062 0.000 1.030 47 S CA 1.822 59.995 58.200 -0.044 0.000 0.999 47 S CB -0.298 62.880 63.200 -0.037 0.000 0.844 47 S HN 0.512 nan 8.310 nan 0.000 0.459 48 I N 1.726 122.231 120.570 -0.109 0.000 2.113 48 I HA -0.083 4.089 4.170 0.002 0.000 0.238 48 I C 2.641 178.720 176.117 -0.063 0.000 1.070 48 I CA 1.299 62.560 61.300 -0.066 0.000 1.332 48 I CB -1.961 36.064 38.000 0.041 0.000 1.044 48 I HN 0.277 nan 8.210 nan 0.000 0.402 49 S N 0.752 116.430 115.700 -0.037 0.000 2.372 49 S HA -0.285 4.186 4.470 0.002 0.000 0.227 49 S C 2.054 176.506 174.600 -0.246 0.000 1.044 49 S CA 2.119 60.224 58.200 -0.158 0.000 1.050 49 S CB -0.501 62.776 63.200 0.127 0.000 0.901 49 S HN 0.483 nan 8.310 nan 0.000 0.447 50 M N 1.296 120.838 119.600 -0.097 0.000 2.086 50 M HA -0.111 4.370 4.480 0.002 0.000 0.261 50 M C 2.174 178.261 176.300 -0.355 0.000 1.067 50 M CA 1.642 56.807 55.300 -0.224 0.000 1.116 50 M CB -0.411 32.257 32.600 0.114 0.000 1.348 50 M HN 0.336 nan 8.290 nan 0.000 0.407 51 A N 0.696 123.390 122.820 -0.210 0.000 1.883 51 A HA -0.182 4.140 4.320 0.002 0.000 0.217 51 A C 2.019 179.466 177.584 -0.228 0.000 1.186 51 A CA 1.891 53.817 52.037 -0.185 0.000 0.624 51 A CB -1.165 17.797 19.000 -0.064 0.000 0.822 51 A HN 0.613 nan 8.150 nan 0.000 0.444 52 L N -1.067 120.022 121.223 -0.222 0.000 2.109 52 L HA -0.120 4.222 4.340 0.002 0.000 0.207 52 L C 3.085 179.803 176.870 -0.253 0.000 1.086 52 L CA 0.827 55.553 54.840 -0.190 0.000 0.760 52 L CB -0.543 41.410 42.059 -0.176 0.000 0.910 52 L HN 0.443 nan 8.230 nan 0.000 0.437 53 A N 0.063 122.626 122.820 -0.428 0.000 1.902 53 A HA -0.286 4.035 4.320 0.002 0.000 0.217 53 A C 2.356 179.736 177.584 -0.340 0.000 1.181 53 A CA 2.083 53.842 52.037 -0.463 0.000 0.623 53 A CB -0.548 17.777 19.000 -1.125 0.000 0.818 53 A HN 0.452 nan 8.150 nan 0.000 0.443 54 M N -1.006 118.152 119.600 -0.737 0.000 2.117 54 M HA -0.112 4.370 4.480 0.002 0.000 0.262 54 M C 2.041 178.180 176.300 -0.269 0.000 1.065 54 M CA 1.977 56.712 55.300 -0.943 0.000 1.114 54 M CB -0.220 31.606 32.600 -1.289 0.000 1.361 54 M HN 0.361 nan 8.290 nan 0.000 0.408 55 L N 0.726 121.865 121.223 -0.140 0.000 2.042 55 L HA -0.197 4.144 4.340 0.002 0.000 0.210 55 L C 2.645 179.584 176.870 0.114 0.000 1.076 55 L CA 2.368 57.246 54.840 0.064 0.000 0.749 55 L CB -0.734 41.364 42.059 0.065 0.000 0.893 55 L HN 0.615 nan 8.230 nan 0.000 0.432 56 S N -1.021 114.698 115.700 0.033 0.000 2.420 56 S HA -0.236 4.235 4.470 0.002 0.000 0.237 56 S C 2.009 176.665 174.600 0.093 0.000 1.023 56 S CA 1.536 59.758 58.200 0.037 0.000 0.991 56 S CB -1.075 62.142 63.200 0.028 0.000 0.792 56 S HN 0.539 nan 8.310 nan 0.000 0.488 57 L N 0.904 122.210 121.223 0.137 0.000 2.265 57 L HA 0.028 4.369 4.340 0.002 0.000 0.215 57 L C 2.585 179.628 176.870 0.289 0.000 1.117 57 L CA 1.074 56.018 54.840 0.174 0.000 0.782 57 L CB -0.624 41.506 42.059 0.120 0.000 0.914 57 L HN 0.588 nan 8.230 nan 0.000 0.441 58 G N -1.430 107.490 108.800 0.200 0.000 3.126 58 G HA2 0.026 3.987 3.960 0.002 0.000 0.224 58 G HA3 0.026 3.987 3.960 0.002 0.000 0.224 58 G C 0.622 175.493 174.900 -0.048 0.000 1.142 58 G CA 0.454 45.490 45.100 -0.107 0.000 0.759 58 G HN 0.335 nan 8.290 nan 0.000 0.550 59 T N -2.747 111.759 114.554 -0.080 0.000 2.943 59 T HA 0.654 5.005 4.350 0.002 0.000 0.284 59 T C -0.507 174.103 174.700 -0.150 0.000 1.015 59 T CA -0.852 61.094 62.100 -0.257 0.000 1.042 59 T CB 2.272 70.916 68.868 -0.374 0.000 1.055 59 T HN -0.033 nan 8.240 nan 0.000 0.500 60 C N 0.038 119.235 119.300 -0.173 0.000 3.323 60 C HA 0.912 5.373 4.460 0.002 0.000 0.324 60 C C 1.412 176.345 174.990 -0.095 0.000 1.428 60 C CA 0.649 59.608 59.018 -0.098 0.000 1.368 60 C CB 1.028 28.731 27.740 -0.062 0.000 1.731 60 C HN 1.557 nan 8.230 nan 0.000 0.455 61 G N 0.981 109.750 108.800 -0.051 0.000 2.596 61 G HA2 -0.311 3.650 3.960 0.002 0.000 0.295 61 G HA3 -0.311 3.650 3.960 0.002 0.000 0.295 61 G C 0.967 175.856 174.900 -0.017 0.000 1.240 61 G CA 1.055 46.144 45.100 -0.019 0.000 0.985 61 G HN 1.062 nan 8.290 nan 0.000 0.555 62 H N 0.899 119.927 119.070 -0.070 0.000 2.353 62 H HA -0.091 4.467 4.556 0.002 0.000 0.300 62 H C 2.963 178.236 175.328 -0.092 0.000 1.090 62 H CA 2.470 58.479 56.048 -0.065 0.000 1.327 62 H CB -0.448 29.283 29.762 -0.051 0.000 1.383 62 H HN 0.522 nan 8.280 nan 0.000 0.508 63 T N 1.161 115.675 114.554 -0.066 0.000 2.653 63 T HA -0.202 4.150 4.350 0.002 0.000 0.268 63 T C 2.160 176.719 174.700 -0.236 0.000 1.035 63 T CA 1.477 63.462 62.100 -0.191 0.000 1.154 63 T CB -0.147 68.531 68.868 -0.317 0.000 0.862 63 T HN 0.329 nan 8.240 nan 0.000 0.441 64 R N 0.837 121.214 120.500 -0.205 0.000 2.066 64 R HA -0.010 4.331 4.340 0.002 0.000 0.232 64 R C 2.716 178.932 176.300 -0.139 0.000 1.131 64 R CA 1.519 57.522 56.100 -0.161 0.000 0.955 64 R CB -0.672 29.560 30.300 -0.113 0.000 0.851 64 R HN 0.396 nan 8.270 nan 0.000 0.432 65 A N 0.951 123.676 122.820 -0.158 0.000 1.917 65 A HA -0.262 4.060 4.320 0.002 0.000 0.219 65 A C 2.123 179.598 177.584 -0.182 0.000 1.182 65 A CA 1.753 53.693 52.037 -0.161 0.000 0.633 65 A CB -0.657 18.228 19.000 -0.193 0.000 0.819 65 A HN 0.543 nan 8.150 nan 0.000 0.448 66 Q N -1.248 118.388 119.800 -0.273 0.000 2.079 66 Q HA -0.132 4.209 4.340 0.002 0.000 0.200 66 Q C 2.042 177.975 176.000 -0.111 0.000 0.974 66 Q CA 1.455 57.126 55.803 -0.220 0.000 0.840 66 Q CB -0.180 28.398 28.738 -0.266 0.000 0.898 66 Q HN 0.562 nan 8.270 nan 0.000 0.430 67 L N 0.553 121.705 121.223 -0.117 0.000 2.017 67 L HA -0.153 4.189 4.340 0.002 0.000 0.208 67 L C 2.000 178.849 176.870 -0.035 0.000 1.073 67 L CA 1.626 56.417 54.840 -0.080 0.000 0.745 67 L CB -0.512 41.479 42.059 -0.113 0.000 0.894 67 L HN 0.263 nan 8.230 nan 0.000 0.432 68 L N -1.018 120.191 121.223 -0.023 0.000 2.056 68 L HA -0.206 4.135 4.340 0.002 0.000 0.207 68 L C 2.664 179.599 176.870 0.109 0.000 1.078 68 L CA 1.267 56.143 54.840 0.061 0.000 0.749 68 L CB -0.556 41.518 42.059 0.025 0.000 0.901 68 L HN 0.400 nan 8.230 nan 0.000 0.433 69 Q N -0.349 119.471 119.800 0.034 0.000 2.079 69 Q HA -0.134 4.208 4.340 0.002 0.000 0.200 69 Q C 2.317 178.329 176.000 0.021 0.000 0.974 69 Q CA 1.418 57.236 55.803 0.024 0.000 0.840 69 Q CB -0.436 28.298 28.738 -0.008 0.000 0.898 69 Q HN 0.607 nan 8.270 nan 0.000 0.430 70 G N 1.289 110.104 108.800 0.025 0.000 2.450 70 G HA2 -0.214 3.748 3.960 0.002 0.000 0.220 70 G HA3 -0.214 3.748 3.960 0.002 0.000 0.220 70 G C 1.340 176.317 174.900 0.127 0.000 1.130 70 G CA 0.476 45.619 45.100 0.073 0.000 0.760 70 G HN 0.197 nan 8.290 nan 0.000 0.557 71 L N 0.176 121.403 121.223 0.006 0.000 2.552 71 L HA 0.240 4.582 4.340 0.002 0.000 0.227 71 L C 2.003 178.704 176.870 -0.282 0.000 1.146 71 L CA 0.536 55.263 54.840 -0.188 0.000 0.858 71 L CB 0.070 42.056 42.059 -0.122 0.000 0.969 71 L HN 0.397 nan 8.230 nan 0.000 0.451 72 G N -0.779 107.899 108.800 -0.203 0.000 2.144 72 G HA2 -0.256 3.705 3.960 0.002 0.000 0.218 72 G HA3 -0.256 3.705 3.960 0.002 0.000 0.218 72 G C -0.080 174.534 174.900 -0.478 0.000 0.988 72 G CA -0.630 44.280 45.100 -0.316 0.000 0.659 72 G HN 0.132 nan 8.290 nan 0.000 0.522 73 F N 0.827 120.771 119.950 -0.010 0.000 2.420 73 F HA 0.602 5.131 4.527 0.003 0.000 0.342 73 F C 0.376 176.158 175.800 -0.029 0.000 1.113 73 F CA -1.691 56.293 58.000 -0.027 0.000 1.059 73 F CB 1.535 40.510 39.000 -0.043 0.000 1.128 73 F HN 0.015 nan 8.300 nan 0.000 0.475 74 N N 3.630 122.414 118.700 0.140 0.000 2.439 74 N HA 0.233 4.974 4.740 0.002 0.000 0.249 74 N C 0.279 175.827 175.510 0.063 0.000 1.003 74 N CA -0.175 52.917 53.050 0.070 0.000 0.942 74 N CB 0.759 39.268 38.487 0.036 0.000 1.115 74 N HN 0.689 nan 8.380 nan 0.000 0.505 75 L N 2.016 123.262 121.223 0.040 0.000 2.650 75 L HA 0.018 4.359 4.340 0.002 0.000 0.235 75 L C 1.585 178.460 176.870 0.008 0.000 1.149 75 L CA 0.464 55.314 54.840 0.017 0.000 0.887 75 L CB -0.192 41.868 42.059 0.002 0.000 1.021 75 L HN 0.550 nan 8.230 nan 0.000 0.441 76 T N -1.362 113.199 114.554 0.012 0.000 2.990 76 T HA 0.038 4.389 4.350 0.002 0.000 0.249 76 T C 1.483 176.188 174.700 0.008 0.000 1.039 76 T CA 0.392 62.497 62.100 0.007 0.000 1.036 76 T CB 0.298 69.169 68.868 0.006 0.000 0.994 76 T HN 0.325 nan 8.240 nan 0.000 0.489 77 E N 0.270 120.479 120.200 0.015 0.000 2.447 77 E HA 0.241 4.592 4.350 0.002 0.000 0.195 77 E C 0.305 176.913 176.600 0.014 0.000 1.028 77 E CA 0.196 56.604 56.400 0.015 0.000 0.876 77 E CB 0.677 30.389 29.700 0.020 0.000 0.885 77 E HN 0.164 nan 8.360 nan 0.000 0.500 78 R N 0.470 120.977 120.500 0.011 0.000 2.563 78 R HA 0.129 4.471 4.340 0.002 0.000 0.262 78 R C -0.889 175.392 176.300 -0.033 0.000 1.128 78 R CA -0.278 55.816 56.100 -0.010 0.000 0.969 78 R CB 1.866 32.164 30.300 -0.003 0.000 1.251 78 R HN 0.041 nan 8.270 nan 0.000 0.442 79 S N 0.489 116.163 115.700 -0.043 0.000 2.600 79 S HA 0.050 4.522 4.470 0.002 0.000 0.265 79 S C 1.040 175.583 174.600 -0.094 0.000 1.325 79 S CA -0.488 57.685 58.200 -0.046 0.000 1.002 79 S CB 1.598 64.784 63.200 -0.023 0.000 0.921 79 S HN 0.806 nan 8.310 nan 0.000 0.554 80 E N 0.786 120.943 120.200 -0.073 0.000 2.110 80 E HA -0.150 4.202 4.350 0.002 0.000 0.193 80 E C 1.581 178.114 176.600 -0.111 0.000 0.988 80 E CA 1.644 57.981 56.400 -0.105 0.000 0.804 80 E CB -0.500 29.207 29.700 0.012 0.000 0.745 80 E HN 0.858 nan 8.360 nan 0.000 0.458 81 T N 0.773 115.307 114.554 -0.034 0.000 2.746 81 T HA -0.154 4.197 4.350 0.002 0.000 0.267 81 T C 1.503 176.124 174.700 -0.132 0.000 1.039 81 T CA 1.475 63.554 62.100 -0.035 0.000 1.142 81 T CB -0.198 68.699 68.868 0.048 0.000 0.866 81 T HN 0.284 nan 8.240 nan 0.000 0.444 82 E N 0.410 120.535 120.200 -0.124 0.000 2.204 82 E HA -0.011 4.341 4.350 0.002 0.000 0.194 82 E C 2.086 178.547 176.600 -0.232 0.000 0.989 82 E CA 0.622 56.945 56.400 -0.129 0.000 0.824 82 E CB -0.250 29.397 29.700 -0.089 0.000 0.756 82 E HN 0.513 nan 8.360 nan 0.000 0.477 83 I N 0.806 121.146 120.570 -0.384 0.000 2.202 83 I HA -0.261 3.910 4.170 0.002 0.000 0.242 83 I C 2.259 178.107 176.117 -0.449 0.000 1.091 83 I CA 1.045 61.988 61.300 -0.595 0.000 1.368 83 I CB -0.356 37.083 38.000 -0.936 0.000 1.058 83 I HN 0.192 nan 8.210 nan 0.000 0.410 84 H N 0.659 119.517 119.070 -0.353 0.000 2.395 84 H HA -0.081 4.476 4.556 0.001 0.000 0.299 84 H C 2.214 177.211 175.328 -0.552 0.000 1.070 84 H CA 1.098 56.819 56.048 -0.546 0.000 1.356 84 H CB -0.257 28.829 29.762 -1.127 0.000 1.401 84 H HN 0.467 nan 8.280 nan 0.000 0.524 85 Q N -0.009 119.601 119.800 -0.317 0.000 2.135 85 Q HA -0.098 4.243 4.340 0.002 0.000 0.204 85 Q C 2.566 178.534 176.000 -0.053 0.000 0.981 85 Q CA 1.196 56.927 55.803 -0.120 0.000 0.856 85 Q CB -0.170 28.566 28.738 -0.004 0.000 0.902 85 Q HN 0.475 nan 8.270 nan 0.000 0.425 86 G N -0.044 108.714 108.800 -0.069 0.000 2.421 86 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 86 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 86 G C 1.007 175.809 174.900 -0.163 0.000 1.171 86 G CA 0.532 45.578 45.100 -0.090 0.000 0.775 86 G HN 0.226 nan 8.290 nan 0.000 0.543 87 F N 0.830 120.704 119.950 -0.127 0.000 2.171 87 F HA -0.043 4.485 4.527 0.002 0.000 0.300 87 F C 2.897 178.607 175.800 -0.150 0.000 1.090 87 F CA 1.618 59.568 58.000 -0.083 0.000 1.293 87 F CB -0.381 38.629 39.000 0.018 0.000 1.013 87 F HN 0.197 nan 8.300 nan 0.000 0.486 88 Q N -0.405 119.324 119.800 -0.119 0.000 2.077 88 Q HA -0.270 4.071 4.340 0.002 0.000 0.206 88 Q C 1.989 177.915 176.000 -0.123 0.000 0.989 88 Q CA 2.207 57.902 55.803 -0.180 0.000 0.853 88 Q CB -0.295 28.290 28.738 -0.255 0.000 0.907 88 Q HN 0.520 nan 8.270 nan 0.000 0.418 89 H N -0.186 118.837 119.070 -0.079 0.000 2.353 89 H HA -0.104 4.452 4.556 0.001 0.000 0.300 89 H C 2.071 177.301 175.328 -0.165 0.000 1.090 89 H CA 1.639 57.628 56.048 -0.098 0.000 1.327 89 H CB 0.044 29.743 29.762 -0.105 0.000 1.383 89 H HN 0.216 nan 8.280 nan 0.000 0.508 90 L N -0.285 120.886 121.223 -0.087 0.000 2.046 90 L HA -0.240 4.101 4.340 0.002 0.000 0.208 90 L C 2.607 179.289 176.870 -0.314 0.000 1.077 90 L CA 1.518 56.157 54.840 -0.336 0.000 0.747 90 L CB -0.488 41.441 42.059 -0.217 0.000 0.896 90 L HN 0.555 nan 8.230 nan 0.000 0.432 91 H N 0.076 119.102 119.070 -0.074 0.000 2.326 91 H HA -0.177 4.380 4.556 0.002 0.000 0.301 91 H C 2.169 177.502 175.328 0.008 0.000 1.081 91 H CA 1.723 57.794 56.048 0.040 0.000 1.334 91 H CB 0.205 30.015 29.762 0.080 0.000 1.385 91 H HN 0.417 nan 8.280 nan 0.000 0.504 92 Q N 0.328 120.049 119.800 -0.132 0.000 2.096 92 Q HA -0.181 4.160 4.340 0.002 0.000 0.208 92 Q C 2.760 178.687 176.000 -0.121 0.000 0.993 92 Q CA 1.876 57.594 55.803 -0.142 0.000 0.862 92 Q CB -0.016 28.691 28.738 -0.052 0.000 0.915 92 Q HN 0.478 nan 8.270 nan 0.000 0.416 93 L N -0.992 120.142 121.223 -0.147 0.000 2.093 93 L HA -0.138 4.203 4.340 0.002 0.000 0.208 93 L C 1.659 178.550 176.870 0.036 0.000 1.085 93 L CA 0.724 55.492 54.840 -0.120 0.000 0.755 93 L CB -0.108 41.804 42.059 -0.246 0.000 0.904 93 L HN 0.209 nan 8.230 nan 0.000 0.435 94 F N -0.956 119.002 119.950 0.013 0.000 2.746 94 F HA 0.244 4.773 4.527 0.004 0.000 0.297 94 F C 2.273 178.061 175.800 -0.019 0.000 1.113 94 F CA -0.109 57.908 58.000 0.028 0.000 1.367 94 F CB -1.158 37.883 39.000 0.068 0.000 1.111 94 F HN -0.073 nan 8.300 nan 0.000 0.590 95 A N 0.078 122.885 122.820 -0.022 0.000 1.877 95 A HA -0.140 4.182 4.320 0.002 0.000 0.216 95 A C 1.408 179.021 177.584 0.048 0.000 1.186 95 A CA 1.156 53.117 52.037 -0.126 0.000 0.620 95 A CB -0.393 18.341 19.000 -0.444 0.000 0.822 95 A HN 0.152 nan 8.150 nan 0.000 0.443 96 K N 0.374 120.805 120.400 0.050 0.000 2.159 96 K HA 0.398 4.719 4.320 0.002 0.000 0.266 96 K C -0.522 176.140 176.600 0.103 0.000 0.975 96 K CA -0.227 56.105 56.287 0.076 0.000 0.865 96 K CB 1.584 34.111 32.500 0.045 0.000 1.087 96 K HN 0.271 nan 8.250 nan 0.000 0.446 97 S N 2.263 118.028 115.700 0.109 0.000 2.565 97 S HA 0.212 4.683 4.470 0.002 0.000 0.274 97 S C -0.747 173.893 174.600 0.066 0.000 1.309 97 S CA -0.268 57.994 58.200 0.104 0.000 1.043 97 S CB 0.377 63.651 63.200 0.122 0.000 0.939 97 S HN 0.679 nan 8.310 nan 0.000 0.504 98 D N 1.407 121.839 120.400 0.053 0.000 2.838 98 D HA 0.260 4.901 4.640 0.002 0.000 0.334 98 D C 0.598 176.907 176.300 0.016 0.000 1.315 98 D CA -0.514 53.503 54.000 0.029 0.000 0.917 98 D CB -0.173 40.642 40.800 0.025 0.000 1.435 98 D HN 0.327 nan 8.370 nan 0.000 0.517 99 T N -0.553 114.005 114.554 0.007 0.000 2.867 99 T HA -0.066 4.285 4.350 0.002 0.000 0.268 99 T C 1.751 176.458 174.700 0.012 0.000 1.057 99 T CA 1.665 63.766 62.100 0.000 0.000 1.136 99 T CB -0.398 68.470 68.868 0.000 0.000 0.874 99 T HN 0.383 nan 8.240 nan 0.000 0.466 100 S N 0.350 116.059 115.700 0.014 0.000 2.365 100 S HA 0.012 4.483 4.470 0.002 0.000 0.225 100 S C 0.452 175.092 174.600 0.066 0.000 1.039 100 S CA 0.825 59.038 58.200 0.021 0.000 1.033 100 S CB -0.108 63.084 63.200 -0.014 0.000 0.887 100 S HN 0.284 nan 8.310 nan 0.000 0.447 101 L N 1.091 122.362 121.223 0.080 0.000 2.596 101 L HA 0.304 4.645 4.340 0.002 0.000 0.265 101 L C -1.015 175.902 176.870 0.079 0.000 0.962 101 L CA 0.014 54.928 54.840 0.123 0.000 0.891 101 L CB 1.759 43.940 42.059 0.203 0.000 1.248 101 L HN -0.098 nan 8.230 nan 0.000 0.410 102 E N 5.640 125.824 120.200 -0.027 0.000 1.999 102 E HA 0.214 4.565 4.350 0.002 0.000 0.296 102 E C -0.683 175.880 176.600 -0.061 0.000 1.187 102 E CA 0.121 56.474 56.400 -0.078 0.000 1.229 102 E CB 0.267 29.846 29.700 -0.202 0.000 1.131 102 E HN 0.474 nan 8.360 nan 0.000 0.478 103 M N 1.216 120.876 119.600 0.101 0.000 2.433 103 M HA 0.248 4.730 4.480 0.002 0.000 0.290 103 M C -1.016 175.419 176.300 0.224 0.000 1.173 103 M CA -0.472 54.934 55.300 0.176 0.000 0.905 103 M CB 2.238 34.953 32.600 0.191 0.000 1.692 103 M HN 0.100 nan 8.290 nan 0.000 0.462 104 T N 1.731 116.468 114.554 0.305 0.000 2.908 104 T HA 0.828 5.179 4.350 0.002 0.000 0.290 104 T C -0.758 174.126 174.700 0.306 0.000 1.034 104 T CA -0.857 61.434 62.100 0.318 0.000 1.010 104 T CB 2.078 71.172 68.868 0.377 0.000 1.068 104 T HN 0.859 nan 8.240 nan 0.000 0.481 105 M N 1.257 120.976 119.600 0.199 0.000 2.365 105 M HA 0.631 5.112 4.480 0.002 0.000 0.288 105 M C -1.408 174.841 176.300 -0.086 0.000 1.152 105 M CA -0.012 55.290 55.300 0.004 0.000 0.948 105 M CB 1.800 34.511 32.600 0.186 0.000 1.729 105 M HN 1.189 nan 8.290 nan 0.000 0.487 106 G N 2.464 110.880 108.800 -0.640 0.000 2.677 106 G HA2 0.551 4.513 3.960 0.002 0.000 0.291 106 G HA3 0.551 4.513 3.960 0.002 0.000 0.291 106 G C -2.248 172.516 174.900 -0.227 0.000 1.435 106 G CA -0.758 44.175 45.100 -0.278 0.000 0.826 106 G HN 0.723 nan 8.290 nan 0.000 0.491 107 N N -0.563 118.143 118.700 0.009 0.000 2.292 107 N HA 0.751 5.492 4.740 0.002 0.000 0.303 107 N C -0.796 174.787 175.510 0.122 0.000 1.140 107 N CA -0.421 52.662 53.050 0.056 0.000 0.788 107 N CB 2.579 41.035 38.487 -0.051 0.000 1.361 107 N HN 0.891 nan 8.380 nan 0.000 0.489 108 A N 1.137 124.015 122.820 0.097 0.000 2.486 108 A HA 0.531 4.852 4.320 0.002 0.000 0.300 108 A C -1.639 175.871 177.584 -0.123 0.000 1.048 108 A CA -0.619 51.352 52.037 -0.109 0.000 0.696 108 A CB 1.582 20.378 19.000 -0.341 0.000 1.278 108 A HN 0.508 nan 8.150 nan 0.000 0.405 109 L N 2.448 123.515 121.223 -0.260 0.000 2.319 109 L HA 0.678 5.019 4.340 0.002 0.000 0.281 109 L C -1.900 174.820 176.870 -0.251 0.000 1.005 109 L CA -0.348 54.430 54.840 -0.104 0.000 0.828 109 L CB 0.600 42.659 42.059 0.000 0.000 1.227 109 L HN 0.677 nan 8.230 nan 0.000 0.415 110 F N 5.942 125.954 119.950 0.102 0.000 2.404 110 F HA 0.517 5.046 4.527 0.003 0.000 0.354 110 F C -0.035 175.948 175.800 0.306 0.000 1.122 110 F CA -0.565 57.529 58.000 0.157 0.000 1.080 110 F CB 1.725 40.873 39.000 0.246 0.000 1.131 110 F HN 0.344 nan 8.300 nan 0.000 0.471 111 L N 3.458 124.874 121.223 0.323 0.000 2.410 111 L HA 0.436 4.778 4.340 0.002 0.000 0.270 111 L C -0.716 176.242 176.870 0.145 0.000 0.983 111 L CA -0.515 54.498 54.840 0.289 0.000 0.822 111 L CB 1.638 43.781 42.059 0.141 0.000 1.285 111 L HN 0.518 nan 8.230 nan 0.000 0.409 112 D N 2.563 123.130 120.400 0.278 0.000 2.472 112 D HA 0.213 4.855 4.640 0.002 0.000 0.237 112 D C 1.374 177.693 176.300 0.031 0.000 1.141 112 D CA 1.288 55.355 54.000 0.112 0.000 0.875 112 D CB 1.564 42.536 40.800 0.287 0.000 1.192 112 D HN 0.744 nan 8.370 nan 0.000 0.450 113 G N 1.564 110.346 108.800 -0.030 0.000 2.479 113 G HA2 -0.284 3.678 3.960 0.002 0.000 0.220 113 G HA3 -0.284 3.678 3.960 0.002 0.000 0.220 113 G C 1.435 176.340 174.900 0.008 0.000 1.115 113 G CA 1.020 46.109 45.100 -0.019 0.000 0.757 113 G HN 0.557 nan 8.290 nan 0.000 0.560 114 S N -1.048 114.667 115.700 0.025 0.000 2.555 114 S HA 0.260 4.731 4.470 0.002 0.000 0.230 114 S C 0.553 175.171 174.600 0.031 0.000 0.978 114 S CA 0.042 58.258 58.200 0.028 0.000 0.934 114 S CB 0.009 63.231 63.200 0.036 0.000 0.766 114 S HN 0.004 nan 8.310 nan 0.000 0.533 115 L N 1.699 122.946 121.223 0.040 0.000 2.322 115 L HA 0.652 4.994 4.340 0.002 0.000 0.281 115 L C -0.553 176.340 176.870 0.039 0.000 1.014 115 L CA -0.392 54.472 54.840 0.041 0.000 0.815 115 L CB 1.743 43.836 42.059 0.057 0.000 1.247 115 L HN 0.057 nan 8.230 nan 0.000 0.421 116 E N 2.522 122.742 120.200 0.034 0.000 2.158 116 E HA 0.529 4.880 4.350 0.002 0.000 0.271 116 E C -0.934 175.697 176.600 0.053 0.000 0.911 116 E CA -0.379 56.045 56.400 0.039 0.000 0.767 116 E CB 1.395 31.112 29.700 0.029 0.000 1.120 116 E HN 0.385 nan 8.360 nan 0.000 0.405 117 L N 3.536 124.809 121.223 0.083 0.000 2.461 117 L HA 0.179 4.521 4.340 0.002 0.000 0.272 117 L C 0.230 177.171 176.870 0.119 0.000 1.197 117 L CA -0.363 54.560 54.840 0.139 0.000 0.836 117 L CB 0.195 42.396 42.059 0.237 0.000 1.105 117 L HN 0.389 nan 8.230 nan 0.000 0.477 118 L N 2.139 123.440 121.223 0.130 0.000 2.456 118 L HA -0.027 4.314 4.340 0.002 0.000 0.272 118 L C 1.580 178.534 176.870 0.139 0.000 1.189 118 L CA 0.314 55.222 54.840 0.113 0.000 0.846 118 L CB 0.482 42.599 42.059 0.097 0.000 1.111 118 L HN 0.722 nan 8.230 nan 0.000 0.475 119 E N 1.020 121.270 120.200 0.083 0.000 2.085 119 E HA -0.230 4.122 4.350 0.002 0.000 0.194 119 E C 1.913 178.546 176.600 0.056 0.000 0.994 119 E CA 1.735 58.168 56.400 0.055 0.000 0.801 119 E CB 0.213 29.930 29.700 0.029 0.000 0.743 119 E HN 0.847 nan 8.360 nan 0.000 0.453 120 S N 0.257 116.002 115.700 0.076 0.000 2.368 120 S HA -0.199 4.273 4.470 0.002 0.000 0.225 120 S C 1.890 176.553 174.600 0.105 0.000 1.030 120 S CA 1.056 59.301 58.200 0.075 0.000 0.999 120 S CB -0.761 62.489 63.200 0.084 0.000 0.844 120 S HN 0.426 nan 8.310 nan 0.000 0.459 121 F N 2.458 122.419 119.950 0.018 0.000 2.102 121 F HA -0.045 4.484 4.527 0.002 0.000 0.298 121 F C 2.722 178.533 175.800 0.018 0.000 1.105 121 F CA 1.339 59.352 58.000 0.021 0.000 1.239 121 F CB -0.880 38.134 39.000 0.023 0.000 0.991 121 F HN 0.249 nan 8.300 nan 0.000 0.474 122 S N -0.057 115.631 115.700 -0.021 0.000 2.359 122 S HA -0.210 4.262 4.470 0.002 0.000 0.224 122 S C 2.290 176.797 174.600 -0.155 0.000 1.035 122 S CA 1.354 59.484 58.200 -0.116 0.000 1.018 122 S CB -0.853 62.348 63.200 0.002 0.000 0.876 122 S HN 0.545 nan 8.310 nan 0.000 0.448 123 A N 1.092 123.854 122.820 -0.098 0.000 1.930 123 A HA -0.093 4.229 4.320 0.002 0.000 0.217 123 A C 1.871 179.379 177.584 -0.126 0.000 1.175 123 A CA 1.794 53.768 52.037 -0.105 0.000 0.627 123 A CB -0.739 18.206 19.000 -0.092 0.000 0.815 123 A HN 0.491 nan 8.150 nan 0.000 0.443 124 D N 0.301 120.630 120.400 -0.119 0.000 2.097 124 D HA -0.149 4.493 4.640 0.002 0.000 0.195 124 D C 1.987 178.250 176.300 -0.061 0.000 0.989 124 D CA 1.750 55.715 54.000 -0.059 0.000 0.827 124 D CB -0.408 40.415 40.800 0.039 0.000 0.966 124 D HN 0.705 nan 8.370 nan 0.000 0.456 125 I N -1.164 119.262 120.570 -0.240 0.000 2.315 125 I HA -0.146 4.026 4.170 0.002 0.000 0.248 125 I C 1.893 177.968 176.117 -0.068 0.000 1.117 125 I CA 1.079 62.272 61.300 -0.178 0.000 1.404 125 I CB -0.252 37.459 38.000 -0.482 0.000 1.071 125 I HN -0.199 nan 8.210 nan 0.000 0.419 126 K N 0.250 120.584 120.400 -0.109 0.000 2.057 126 K HA -0.187 4.135 4.320 0.002 0.000 0.206 126 K C 2.269 178.845 176.600 -0.041 0.000 1.050 126 K CA 1.674 57.923 56.287 -0.063 0.000 0.935 126 K CB -0.511 31.950 32.500 -0.066 0.000 0.715 126 K HN 0.577 nan 8.250 nan 0.000 0.439 127 H N -0.309 118.626 119.070 -0.225 0.000 2.261 127 H HA -0.126 4.432 4.556 0.002 0.000 0.301 127 H C 1.729 176.854 175.328 -0.337 0.000 1.067 127 H CA 1.749 57.591 56.048 -0.344 0.000 1.297 127 H CB 0.028 29.443 29.762 -0.578 0.000 1.377 127 H HN 0.224 nan 8.280 nan 0.000 0.492 128 Y N -1.165 118.871 120.300 -0.441 0.000 2.286 128 Y HA -0.130 4.420 4.550 0.001 0.000 0.293 128 Y C 1.420 176.886 175.900 -0.723 0.000 1.124 128 Y CA 0.684 58.356 58.100 -0.712 0.000 1.178 128 Y CB 0.163 38.160 38.460 -0.771 0.000 1.010 128 Y HN 0.248 nan 8.280 nan 0.000 0.536 129 Y N -0.907 119.350 120.300 -0.072 0.000 2.481 129 Y HA 0.166 4.718 4.550 0.003 0.000 0.247 129 Y C 0.620 176.313 175.900 -0.344 0.000 1.151 129 Y CA -0.645 57.320 58.100 -0.226 0.000 1.238 129 Y CB 0.205 38.546 38.460 -0.198 0.000 1.179 129 Y HN 0.002 nan 8.280 nan 0.000 0.524 130 E N 1.101 121.275 120.200 -0.043 0.000 2.328 130 E HA -0.236 4.115 4.350 0.002 0.000 0.233 130 E C -0.172 176.440 176.600 0.020 0.000 1.219 130 E CA 0.379 56.800 56.400 0.035 0.000 0.717 130 E CB -0.780 29.058 29.700 0.229 0.000 1.210 130 E HN 0.210 nan 8.360 nan 0.000 0.381 131 S N 0.326 116.018 115.700 -0.015 0.000 2.510 131 S HA 0.067 4.539 4.470 0.002 0.000 0.279 131 S C -0.002 174.578 174.600 -0.035 0.000 1.284 131 S CA -0.307 57.875 58.200 -0.029 0.000 1.059 131 S CB 0.652 63.809 63.200 -0.072 0.000 0.901 131 S HN 0.243 nan 8.310 nan 0.000 0.491 132 E N 2.501 122.685 120.200 -0.027 0.000 2.373 132 E HA 0.261 4.612 4.350 0.002 0.000 0.267 132 E C -0.825 175.666 176.600 -0.182 0.000 1.032 132 E CA -0.401 55.952 56.400 -0.079 0.000 0.889 132 E CB 0.891 30.554 29.700 -0.062 0.000 0.984 132 E HN 0.343 nan 8.360 nan 0.000 0.425 133 V N 4.625 124.441 119.914 -0.163 0.000 2.409 133 V HA 0.328 4.450 4.120 0.002 0.000 0.291 133 V C -0.420 175.556 176.094 -0.197 0.000 1.020 133 V CA -0.626 61.569 62.300 -0.174 0.000 0.848 133 V CB 0.778 32.548 31.823 -0.088 0.000 0.990 133 V HN 0.475 nan 8.190 nan 0.000 0.430 134 L N 4.309 125.358 121.223 -0.289 0.000 2.376 134 L HA 0.782 5.124 4.340 0.002 0.000 0.275 134 L C 0.370 177.170 176.870 -0.116 0.000 0.987 134 L CA -0.597 54.102 54.840 -0.236 0.000 0.828 134 L CB 1.968 43.788 42.059 -0.397 0.000 1.249 134 L HN 0.706 nan 8.230 nan 0.000 0.409 135 A N 5.394 128.166 122.820 -0.080 0.000 2.409 135 A HA 0.794 5.115 4.320 0.002 0.000 0.262 135 A C -0.187 177.311 177.584 -0.143 0.000 1.113 135 A CA -0.096 51.890 52.037 -0.084 0.000 0.790 135 A CB 0.378 19.338 19.000 -0.065 0.000 1.046 135 A HN 0.606 nan 8.150 nan 0.000 0.496 136 M N 1.521 120.947 119.600 -0.291 0.000 2.658 136 M HA 0.337 4.819 4.480 0.002 0.000 0.295 136 M C -0.712 175.287 176.300 -0.501 0.000 1.248 136 M CA -1.010 53.983 55.300 -0.511 0.000 0.843 136 M CB 1.649 33.616 32.600 -1.056 0.000 1.749 136 M HN 0.721 nan 8.290 nan 0.000 0.464 137 N N 0.940 119.408 118.700 -0.386 0.000 2.699 137 N HA 0.354 5.095 4.740 0.002 0.000 0.232 137 N C -0.461 174.975 175.510 -0.124 0.000 1.027 137 N CA -0.124 52.804 53.050 -0.203 0.000 0.920 137 N CB -0.029 38.399 38.487 -0.099 0.000 1.148 137 N HN 0.527 nan 8.380 nan 0.000 0.509 138 F N 0.761 120.761 119.950 0.082 0.000 2.748 138 F HA 0.024 4.552 4.527 0.002 0.000 0.299 138 F C 1.994 177.900 175.800 0.177 0.000 1.154 138 F CA 0.181 58.291 58.000 0.184 0.000 1.446 138 F CB 0.389 39.514 39.000 0.208 0.000 1.112 138 F HN 0.490 nan 8.300 nan 0.000 0.584 139 Q N -0.420 119.520 119.800 0.234 0.000 2.297 139 Q HA -0.159 4.183 4.340 0.002 0.000 0.204 139 Q C 0.399 176.486 176.000 0.145 0.000 0.962 139 Q CA 0.721 56.616 55.803 0.153 0.000 0.879 139 Q CB -0.007 28.782 28.738 0.085 0.000 0.947 139 Q HN 0.129 nan 8.270 nan 0.000 0.462 140 D N -0.333 120.144 120.400 0.129 0.000 2.638 140 D HA -0.039 4.602 4.640 0.002 0.000 0.245 140 D C 0.108 176.478 176.300 0.118 0.000 1.176 140 D CA -0.357 53.695 54.000 0.087 0.000 0.996 140 D CB -0.306 40.502 40.800 0.012 0.000 1.012 140 D HN 0.295 nan 8.370 nan 0.000 0.515 141 W N 3.092 124.392 121.300 0.001 0.000 2.402 141 W HA -0.166 4.495 4.660 0.002 0.000 0.286 141 W C 1.242 177.725 176.519 -0.059 0.000 1.221 141 W CA 1.170 58.508 57.345 -0.010 0.000 1.257 141 W CB 0.189 29.629 29.460 -0.034 0.000 1.120 141 W HN 0.386 nan 8.180 nan 0.000 0.551 142 A N 0.817 123.583 122.820 -0.091 0.000 1.858 142 A HA -0.223 4.098 4.320 0.002 0.000 0.216 142 A C 1.938 179.367 177.584 -0.259 0.000 1.190 142 A CA 2.679 54.609 52.037 -0.179 0.000 0.617 142 A CB -1.317 17.653 19.000 -0.050 0.000 0.827 142 A HN 0.273 nan 8.150 nan 0.000 0.443 143 T N 0.307 114.749 114.554 -0.186 0.000 2.708 143 T HA -0.002 4.349 4.350 0.002 0.000 0.266 143 T C 2.260 176.794 174.700 -0.277 0.000 1.037 143 T CA 1.684 63.674 62.100 -0.183 0.000 1.146 143 T CB -0.552 68.244 68.868 -0.119 0.000 0.865 143 T HN 0.606 nan 8.240 nan 0.000 0.435 144 A N 2.122 124.743 122.820 -0.332 0.000 1.883 144 A HA -0.151 4.171 4.320 0.002 0.000 0.217 144 A C 2.611 179.789 177.584 -0.676 0.000 1.186 144 A CA 2.438 54.227 52.037 -0.414 0.000 0.624 144 A CB -1.029 17.834 19.000 -0.228 0.000 0.822 144 A HN 0.619 nan 8.150 nan 0.000 0.444 145 S N -0.350 114.698 115.700 -1.087 0.000 2.402 145 S HA -0.182 4.289 4.470 0.002 0.000 0.229 145 S C 2.039 176.284 174.600 -0.591 0.000 1.021 145 S CA 1.130 58.595 58.200 -1.224 0.000 0.974 145 S CB -0.487 61.817 63.200 -1.492 0.000 0.800 145 S HN 0.626 nan 8.310 nan 0.000 0.484 146 R N 1.293 121.546 120.500 -0.411 0.000 2.081 146 R HA -0.083 4.258 4.340 0.002 0.000 0.235 146 R C 2.436 178.630 176.300 -0.176 0.000 1.131 146 R CA 1.645 57.613 56.100 -0.220 0.000 0.960 146 R CB -0.448 29.753 30.300 -0.165 0.000 0.856 146 R HN 0.577 nan 8.270 nan 0.000 0.436 147 Q N 0.231 119.904 119.800 -0.212 0.000 2.061 147 Q HA -0.153 4.189 4.340 0.002 0.000 0.204 147 Q C 2.268 178.185 176.000 -0.139 0.000 0.984 147 Q CA 1.940 57.661 55.803 -0.136 0.000 0.846 147 Q CB -0.125 28.536 28.738 -0.129 0.000 0.902 147 Q HN 0.425 nan 8.270 nan 0.000 0.421 148 I N 1.006 121.358 120.570 -0.363 0.000 2.179 148 I HA -0.300 3.872 4.170 0.002 0.000 0.242 148 I C 1.830 177.921 176.117 -0.044 0.000 1.088 148 I CA 0.800 61.837 61.300 -0.438 0.000 1.357 148 I CB -0.436 37.129 38.000 -0.725 0.000 1.051 148 I HN 0.220 nan 8.210 nan 0.000 0.409 149 N N 0.862 119.544 118.700 -0.029 0.000 2.061 149 N HA -0.197 4.545 4.740 0.002 0.000 0.193 149 N C 2.053 177.597 175.510 0.056 0.000 1.030 149 N CA 2.095 55.180 53.050 0.058 0.000 0.856 149 N CB -0.484 38.021 38.487 0.030 0.000 1.023 149 N HN 0.452 nan 8.380 nan 0.000 0.424 150 S N -0.834 114.885 115.700 0.032 0.000 2.436 150 S HA -0.074 4.398 4.470 0.002 0.000 0.228 150 S C 2.031 176.664 174.600 0.055 0.000 1.014 150 S CA 0.110 58.326 58.200 0.027 0.000 0.950 150 S CB -0.636 62.566 63.200 0.005 0.000 0.784 150 S HN 0.430 nan 8.310 nan 0.000 0.504 151 Y N 2.679 122.988 120.300 0.015 0.000 2.097 151 Y HA -0.163 4.389 4.550 0.002 0.000 0.282 151 Y C 2.290 178.197 175.900 0.011 0.000 1.152 151 Y CA 2.020 60.160 58.100 0.066 0.000 1.136 151 Y CB -0.597 38.007 38.460 0.240 0.000 0.975 151 Y HN 0.151 nan 8.280 nan 0.000 0.498 152 V N 1.006 121.032 119.914 0.187 0.000 2.358 152 V HA -0.282 3.839 4.120 0.002 0.000 0.246 152 V C 2.432 178.491 176.094 -0.058 0.000 1.047 152 V CA 2.202 64.552 62.300 0.084 0.000 1.035 152 V CB -0.723 31.243 31.823 0.239 0.000 0.658 152 V HN 0.359 nan 8.190 nan 0.000 0.452 153 K N 0.324 120.708 120.400 -0.026 0.000 2.032 153 K HA -0.239 4.082 4.320 0.002 0.000 0.209 153 K C 2.056 178.574 176.600 -0.136 0.000 1.048 153 K CA 1.935 58.189 56.287 -0.055 0.000 0.927 153 K CB -0.202 32.281 32.500 -0.030 0.000 0.712 153 K HN 0.451 nan 8.250 nan 0.000 0.441 154 N N 0.767 119.360 118.700 -0.179 0.000 2.142 154 N HA -0.114 4.627 4.740 0.002 0.000 0.186 154 N C 1.584 176.890 175.510 -0.340 0.000 1.023 154 N CA 0.934 53.845 53.050 -0.230 0.000 0.852 154 N CB -0.092 38.276 38.487 -0.199 0.000 0.998 154 N HN 0.134 nan 8.380 nan 0.000 0.424 155 K N 0.543 120.631 120.400 -0.520 0.000 2.147 155 K HA -0.034 4.288 4.320 0.002 0.000 0.205 155 K C 1.521 177.825 176.600 -0.492 0.000 1.049 155 K CA 1.035 56.875 56.287 -0.744 0.000 0.936 155 K CB -0.799 30.740 32.500 -1.601 0.000 0.722 155 K HN 0.420 nan 8.250 nan 0.000 0.446 156 T N -0.580 113.790 114.554 -0.307 0.000 3.244 156 T HA 0.065 4.417 4.350 0.002 0.000 0.254 156 T C 0.029 174.545 174.700 -0.306 0.000 1.024 156 T CA -0.373 61.657 62.100 -0.118 0.000 0.920 156 T CB 0.013 68.933 68.868 0.085 0.000 1.042 156 T HN 0.085 nan 8.240 nan 0.000 0.572 157 Q N 0.389 119.932 119.800 -0.428 0.000 2.453 157 Q HA -0.243 4.099 4.340 0.002 0.000 0.294 157 Q C 1.239 177.094 176.000 -0.242 0.000 1.295 157 Q CA 1.025 56.565 55.803 -0.438 0.000 0.853 157 Q CB -2.602 25.653 28.738 -0.804 0.000 1.193 157 Q HN 1.311 nan 8.270 nan 0.000 0.461 158 G N -0.746 107.959 108.800 -0.157 0.000 2.162 158 G HA2 -0.368 3.593 3.960 0.002 0.000 0.260 158 G HA3 -0.368 3.593 3.960 0.002 0.000 0.260 158 G C 0.932 175.813 174.900 -0.032 0.000 0.976 158 G CA 0.712 45.762 45.100 -0.082 0.000 0.655 158 G HN 0.308 nan 8.290 nan 0.000 0.533 159 K N -0.326 120.070 120.400 -0.005 0.000 2.116 159 K HA 0.203 4.525 4.320 0.002 0.000 0.203 159 K C 1.230 177.874 176.600 0.072 0.000 1.052 159 K CA 0.693 57.018 56.287 0.065 0.000 0.952 159 K CB 0.254 32.856 32.500 0.169 0.000 0.729 159 K HN 0.468 nan 8.250 nan 0.000 0.446 160 I N 3.069 123.685 120.570 0.077 0.000 2.330 160 I HA 0.132 4.304 4.170 0.002 0.000 0.286 160 I C 0.191 176.344 176.117 0.059 0.000 1.025 160 I CA -1.006 60.345 61.300 0.086 0.000 1.197 160 I CB 0.815 38.897 38.000 0.136 0.000 1.358 160 I HN -0.268 nan 8.210 nan 0.000 0.467 161 V N 2.767 122.709 119.914 0.045 0.000 2.975 161 V HA 0.619 4.741 4.120 0.002 0.000 0.318 161 V C 0.278 176.401 176.094 0.048 0.000 1.077 161 V CA -0.615 61.707 62.300 0.037 0.000 1.000 161 V CB 1.718 33.552 31.823 0.018 0.000 1.066 161 V HN 0.758 nan 8.190 nan 0.000 0.452 162 D N 0.172 120.602 120.400 0.051 0.000 2.751 162 D HA -0.205 4.436 4.640 0.002 0.000 0.233 162 D C 0.811 177.162 176.300 0.085 0.000 1.149 162 D CA 1.120 55.157 54.000 0.063 0.000 0.682 162 D CB -0.739 40.087 40.800 0.044 0.000 1.068 162 D HN 0.709 nan 8.370 nan 0.000 0.429 163 L N -0.635 120.652 121.223 0.106 0.000 1.997 163 L HA -0.111 4.231 4.340 0.002 0.000 0.216 163 L C 0.745 177.634 176.870 0.032 0.000 1.074 163 L CA 1.903 56.803 54.840 0.100 0.000 0.763 163 L CB -0.335 41.817 42.059 0.155 0.000 0.890 163 L HN 0.127 nan 8.230 nan 0.000 0.434 164 F N -0.612 119.378 119.950 0.068 0.000 2.421 164 F HA 0.204 4.733 4.527 0.002 0.000 0.358 164 F C 1.671 177.496 175.800 0.042 0.000 1.115 164 F CA 0.119 58.138 58.000 0.032 0.000 1.160 164 F CB 1.005 39.925 39.000 -0.133 0.000 1.123 164 F HN -0.152 nan 8.300 nan 0.000 0.508 165 S N 1.500 117.327 115.700 0.212 0.000 2.456 165 S HA 0.455 4.926 4.470 0.002 0.000 0.224 165 S C 0.734 175.412 174.600 0.131 0.000 1.035 165 S CA 0.612 58.893 58.200 0.135 0.000 0.940 165 S CB 0.123 63.379 63.200 0.094 0.000 0.799 165 S HN 1.051 nan 8.310 nan 0.000 0.508 169 S N 2.702 118.354 115.700 -0.079 0.000 2.505 169 S HA 0.640 5.112 4.470 0.002 0.000 0.276 169 S C -2.244 171.958 174.600 -0.663 0.000 1.274 169 S CA -1.052 56.984 58.200 -0.273 0.000 1.053 169 S CB 1.080 64.189 63.200 -0.152 0.000 0.919 169 S HN 0.137 nan 8.310 nan 0.000 0.490 170 P HA 0.440 nan 4.420 nan 0.000 0.271 170 P C -0.697 175.973 177.300 -1.049 0.000 1.233 170 P CA -0.294 61.772 63.100 -1.722 0.000 0.789 170 P CB 0.414 31.519 31.700 -0.991 0.000 0.951 171 A N 0.957 123.119 122.820 -1.097 0.000 2.527 171 A HA 0.592 4.913 4.320 0.002 0.000 0.293 171 A C 0.575 177.823 177.584 -0.560 0.000 1.117 171 A CA -0.723 50.957 52.037 -0.594 0.000 0.723 171 A CB 0.648 19.381 19.000 -0.447 0.000 1.313 171 A HN 0.581 nan 8.150 nan 0.000 0.411 172 I N -1.493 118.909 120.570 -0.279 0.000 3.968 172 I HA 0.505 4.677 4.170 0.002 0.000 0.328 172 I C -0.021 176.147 176.117 0.085 0.000 1.290 172 I CA 0.264 61.556 61.300 -0.014 0.000 1.163 172 I CB 0.136 38.179 38.000 0.073 0.000 1.024 172 I HN 0.366 nan 8.210 nan 0.000 0.413 173 L N 1.572 122.741 121.223 -0.090 0.000 2.455 173 L HA 0.687 5.028 4.340 0.002 0.000 0.264 173 L C -1.672 175.197 176.870 -0.001 0.000 0.968 173 L CA -0.671 54.202 54.840 0.055 0.000 0.827 173 L CB 2.486 44.558 42.059 0.023 0.000 1.317 173 L HN -0.182 nan 8.230 nan 0.000 0.407 174 V N 5.702 125.716 119.914 0.168 0.000 2.447 174 V HA 0.351 4.472 4.120 0.002 0.000 0.292 174 V C -0.286 176.020 176.094 0.353 0.000 1.021 174 V CA -0.420 62.022 62.300 0.237 0.000 0.850 174 V CB 1.729 33.671 31.823 0.199 0.000 1.005 174 V HN 0.661 nan 8.190 nan 0.000 0.426 175 L N 6.324 127.715 121.223 0.280 0.000 2.305 175 L HA 0.729 5.070 4.340 0.002 0.000 0.281 175 L C -0.841 176.225 176.870 0.327 0.000 1.085 175 L CA -0.038 54.953 54.840 0.252 0.000 0.813 175 L CB 1.308 43.457 42.059 0.150 0.000 1.157 175 L HN 0.473 nan 8.230 nan 0.000 0.436 176 V N 5.183 125.297 119.914 0.334 0.000 2.588 176 V HA 0.461 4.583 4.120 0.002 0.000 0.304 176 V C -0.453 175.831 176.094 0.316 0.000 1.042 176 V CA -0.804 61.737 62.300 0.403 0.000 0.877 176 V CB 1.734 33.901 31.823 0.573 0.000 0.996 176 V HN 0.830 nan 8.190 nan 0.000 0.425 177 N N 2.924 121.793 118.700 0.283 0.000 2.335 177 N HA 0.596 5.337 4.740 0.002 0.000 0.304 177 N C -1.600 174.100 175.510 0.316 0.000 1.135 177 N CA -0.244 52.923 53.050 0.195 0.000 0.817 177 N CB 2.911 41.444 38.487 0.076 0.000 1.294 177 N HN 0.735 nan 8.380 nan 0.000 0.497 178 Y N 0.618 121.082 120.300 0.273 0.000 2.644 178 Y HA 0.768 5.319 4.550 0.003 0.000 0.338 178 Y C -1.355 174.703 175.900 0.264 0.000 1.119 178 Y CA -1.112 57.154 58.100 0.277 0.000 1.060 178 Y CB 1.432 40.058 38.460 0.276 0.000 1.294 178 Y HN 0.379 nan 8.280 nan 0.000 0.472 179 I N 2.456 123.313 120.570 0.478 0.000 2.680 179 I HA 0.510 4.681 4.170 0.002 0.000 0.291 179 I C -2.338 174.123 176.117 0.573 0.000 1.244 179 I CA -0.868 60.665 61.300 0.388 0.000 1.042 179 I CB 1.933 40.039 38.000 0.177 0.000 1.277 179 I HN 0.749 nan 8.210 nan 0.000 0.423 180 F N 8.781 128.958 119.950 0.380 0.000 2.518 180 F HA 0.655 5.183 4.527 0.002 0.000 0.323 180 F C -2.072 173.922 175.800 0.323 0.000 1.129 180 F CA -0.816 57.374 58.000 0.317 0.000 0.920 180 F CB 1.595 40.723 39.000 0.212 0.000 1.160 180 F HN 0.326 nan 8.300 nan 0.000 0.440 181 F N 6.260 125.787 119.950 -0.704 0.000 2.547 181 F HA 0.644 5.173 4.527 0.002 0.000 0.316 181 F C -1.562 173.731 175.800 -0.845 0.000 1.121 181 F CA -0.653 57.015 58.000 -0.553 0.000 0.911 181 F CB 1.527 40.486 39.000 -0.069 0.000 1.179 181 F HN 0.502 nan 8.300 nan 0.000 0.443 182 K N 3.436 122.937 120.400 -1.499 0.000 2.345 182 K HA 0.771 5.092 4.320 0.002 0.000 0.255 182 K C -0.914 174.700 176.600 -1.642 0.000 0.934 182 K CA -0.765 54.766 56.287 -1.261 0.000 0.801 182 K CB 2.040 34.151 32.500 -0.648 0.000 1.137 182 K HN 0.881 nan 8.250 nan 0.000 0.424 183 G N 1.490 109.468 108.800 -1.369 0.000 2.707 183 G HA2 0.347 4.308 3.960 0.002 0.000 0.299 183 G HA3 0.347 4.308 3.960 0.002 0.000 0.299 183 G C -1.116 173.469 174.900 -0.525 0.000 1.442 183 G CA -0.461 43.950 45.100 -1.148 0.000 1.009 183 G HN 0.463 nan 8.290 nan 0.000 0.515 184 T N 2.223 116.657 114.554 -0.199 0.000 2.744 184 T HA 0.263 4.614 4.350 0.002 0.000 0.291 184 T C -0.011 174.782 174.700 0.154 0.000 0.957 184 T CA -0.085 61.974 62.100 -0.069 0.000 1.002 184 T CB 0.497 69.350 68.868 -0.025 0.000 0.919 184 T HN 0.443 nan 8.240 nan 0.000 0.468 185 W N 2.285 123.732 121.300 0.245 0.000 2.295 185 W HA 0.036 4.697 4.660 0.002 0.000 0.335 185 W C 1.711 178.251 176.519 0.035 0.000 1.351 185 W CA -0.497 56.911 57.345 0.105 0.000 1.273 185 W CB -0.074 29.419 29.460 0.055 0.000 1.214 185 W HN 0.651 nan 8.180 nan 0.000 0.563 186 T N 1.999 116.701 114.554 0.246 0.000 2.881 186 T HA -0.181 4.171 4.350 0.002 0.000 0.270 186 T C 0.565 175.301 174.700 0.059 0.000 1.068 186 T CA 1.232 63.400 62.100 0.113 0.000 1.131 186 T CB -0.102 68.801 68.868 0.059 0.000 0.871 186 T HN 0.396 nan 8.240 nan 0.000 0.479 187 Q N 1.520 121.336 119.800 0.026 0.000 2.558 187 Q HA 0.260 4.601 4.340 0.002 0.000 0.252 187 Q C -2.742 173.132 176.000 -0.210 0.000 1.015 187 Q CA -1.990 53.742 55.803 -0.119 0.000 0.720 187 Q CB 2.013 30.618 28.738 -0.223 0.000 1.215 187 Q HN 0.256 nan 8.270 nan 0.000 0.500 188 P HA 0.048 nan 4.420 nan 0.000 0.272 188 P C -0.548 176.635 177.300 -0.195 0.000 1.223 188 P CA -0.060 63.065 63.100 0.041 0.000 0.784 188 P CB 0.616 32.408 31.700 0.154 0.000 0.923 189 F N 0.104 120.015 119.950 -0.066 0.000 2.410 189 F HA 0.109 4.637 4.527 0.002 0.000 0.334 189 F C 1.434 177.201 175.800 -0.055 0.000 1.134 189 F CA 0.224 58.154 58.000 -0.117 0.000 1.227 189 F CB 0.088 39.008 39.000 -0.134 0.000 1.194 189 F HN 0.262 nan 8.300 nan 0.000 0.571 190 D N 2.116 122.571 120.400 0.091 0.000 2.338 190 D HA 0.135 4.776 4.640 0.002 0.000 0.255 190 D C 1.008 177.344 176.300 0.060 0.000 1.237 190 D CA 0.189 54.212 54.000 0.040 0.000 0.883 190 D CB 0.597 41.392 40.800 -0.009 0.000 1.087 190 D HN 0.457 nan 8.370 nan 0.000 0.485 191 L N 3.667 124.925 121.223 0.059 0.000 1.990 191 L HA -0.256 4.085 4.340 0.002 0.000 0.213 191 L C 2.348 179.238 176.870 0.034 0.000 1.072 191 L CA 1.748 56.619 54.840 0.052 0.000 0.755 191 L CB -0.378 41.709 42.059 0.046 0.000 0.889 191 L HN 0.601 nan 8.230 nan 0.000 0.432 192 A N -1.514 121.320 122.820 0.025 0.000 2.019 192 A HA -0.183 4.138 4.320 0.002 0.000 0.219 192 A C 2.411 180.006 177.584 0.018 0.000 1.164 192 A CA 2.019 54.067 52.037 0.018 0.000 0.644 192 A CB -0.466 18.541 19.000 0.012 0.000 0.805 192 A HN 0.419 nan 8.150 nan 0.000 0.449 193 S N -0.461 115.250 115.700 0.018 0.000 2.461 193 S HA 0.007 4.479 4.470 0.002 0.000 0.228 193 S C 0.857 175.474 174.600 0.029 0.000 1.005 193 S CA 0.427 58.636 58.200 0.015 0.000 0.942 193 S CB -0.238 62.957 63.200 -0.009 0.000 0.776 193 S HN 0.606 nan 8.310 nan 0.000 0.514 194 T N 3.883 118.454 114.554 0.027 0.000 2.908 194 T HA 0.178 4.529 4.350 0.002 0.000 0.301 194 T C 0.229 174.949 174.700 0.034 0.000 1.019 194 T CA 0.422 62.537 62.100 0.026 0.000 1.152 194 T CB 0.199 69.076 68.868 0.014 0.000 0.966 194 T HN 0.083 nan 8.240 nan 0.000 0.540 195 R N 1.956 122.483 120.500 0.045 0.000 2.740 195 R HA 0.287 4.629 4.340 0.002 0.000 0.273 195 R C -0.617 175.704 176.300 0.035 0.000 0.998 195 R CA -0.904 55.221 56.100 0.041 0.000 0.900 195 R CB 1.361 31.693 30.300 0.054 0.000 1.223 195 R HN 0.586 nan 8.270 nan 0.000 0.466 196 E N 2.413 122.626 120.200 0.022 0.000 2.376 196 E HA 0.105 4.457 4.350 0.002 0.000 0.266 196 E C -0.196 176.412 176.600 0.013 0.000 1.009 196 E CA 0.359 56.768 56.400 0.015 0.000 0.902 196 E CB 0.913 30.617 29.700 0.006 0.000 0.972 196 E HN 0.250 nan 8.360 nan 0.000 0.439 197 E N 1.838 122.044 120.200 0.011 0.000 2.408 197 E HA 0.294 4.645 4.350 0.002 0.000 0.275 197 E C -0.552 176.026 176.600 -0.037 0.000 0.935 197 E CA -1.013 55.382 56.400 -0.008 0.000 0.775 197 E CB 1.251 30.950 29.700 -0.001 0.000 1.277 197 E HN 0.260 nan 8.360 nan 0.000 0.455 198 N N 0.830 119.463 118.700 -0.112 0.000 2.492 198 N HA 0.171 4.913 4.740 0.002 0.000 0.260 198 N C -0.898 174.403 175.510 -0.348 0.000 1.215 198 N CA 0.235 53.111 53.050 -0.291 0.000 0.923 198 N CB 0.190 38.371 38.487 -0.510 0.000 1.092 198 N HN 0.313 nan 8.380 nan 0.000 0.448 199 F N 2.591 122.270 119.950 -0.453 0.000 2.477 199 F HA 0.317 4.846 4.527 0.002 0.000 0.335 199 F C -1.006 174.587 175.800 -0.346 0.000 1.130 199 F CA -0.920 56.907 58.000 -0.288 0.000 0.948 199 F CB 0.579 39.538 39.000 -0.070 0.000 1.154 199 F HN 0.371 nan 8.300 nan 0.000 0.439 200 Y N 6.432 126.609 120.300 -0.205 0.000 2.650 200 Y HA 0.235 4.786 4.550 0.002 0.000 0.343 200 Y C 1.041 176.944 175.900 0.005 0.000 1.078 200 Y CA -0.441 57.617 58.100 -0.069 0.000 1.356 200 Y CB 0.441 38.825 38.460 -0.126 0.000 1.204 200 Y HN 0.463 nan 8.280 nan 0.000 0.508 201 V N 1.608 121.705 119.914 0.305 0.000 2.237 201 V HA -0.215 3.906 4.120 0.002 0.000 0.245 201 V C 0.653 176.873 176.094 0.210 0.000 1.046 201 V CA 2.182 64.683 62.300 0.334 0.000 1.007 201 V CB -0.374 31.608 31.823 0.265 0.000 0.638 201 V HN 0.844 nan 8.190 nan 0.000 0.445 202 D N -3.087 117.412 120.400 0.165 0.000 2.825 202 D HA 0.113 4.755 4.640 0.002 0.000 0.327 202 D C 0.753 177.117 176.300 0.108 0.000 1.277 202 D CA -0.271 53.800 54.000 0.118 0.000 0.950 202 D CB 0.621 41.477 40.800 0.094 0.000 1.438 202 D HN 0.023 nan 8.370 nan 0.000 0.526 203 E N -1.191 119.053 120.200 0.073 0.000 2.209 203 E HA -0.162 4.189 4.350 0.002 0.000 0.196 203 E C 0.843 177.482 176.600 0.065 0.000 0.993 203 E CA 1.842 58.276 56.400 0.057 0.000 0.819 203 E CB -0.008 29.713 29.700 0.034 0.000 0.745 203 E HN 0.540 nan 8.360 nan 0.000 0.477 204 T N -2.766 111.828 114.554 0.066 0.000 3.085 204 T HA 0.169 4.520 4.350 0.002 0.000 0.264 204 T C 0.088 174.830 174.700 0.070 0.000 1.019 204 T CA -0.383 61.753 62.100 0.061 0.000 0.910 204 T CB 0.725 69.620 68.868 0.045 0.000 1.059 204 T HN -0.146 nan 8.240 nan 0.000 0.542 205 T N 2.003 116.612 114.554 0.092 0.000 2.906 205 T HA 0.610 4.961 4.350 0.002 0.000 0.302 205 T C -0.902 173.867 174.700 0.115 0.000 1.002 205 T CA -0.522 61.634 62.100 0.093 0.000 0.988 205 T CB 1.761 70.685 68.868 0.093 0.000 0.972 205 T HN 0.091 nan 8.240 nan 0.000 0.447 206 V N 4.132 124.094 119.914 0.080 0.000 2.540 206 V HA 0.745 4.866 4.120 0.002 0.000 0.302 206 V C 0.097 176.199 176.094 0.013 0.000 1.035 206 V CA -0.878 61.441 62.300 0.031 0.000 0.873 206 V CB 1.715 33.535 31.823 -0.004 0.000 0.992 206 V HN 0.805 nan 8.190 nan 0.000 0.428 207 V N 1.770 121.697 119.914 0.021 0.000 2.919 207 V HA 0.735 4.856 4.120 0.002 0.000 0.316 207 V C -0.517 175.572 176.094 -0.008 0.000 1.077 207 V CA -1.030 61.276 62.300 0.010 0.000 0.977 207 V CB 2.182 34.009 31.823 0.007 0.000 1.039 207 V HN 0.677 nan 8.190 nan 0.000 0.441 208 K N 1.648 122.038 120.400 -0.016 0.000 2.183 208 K HA 0.768 5.089 4.320 0.002 0.000 0.274 208 K C -1.171 175.423 176.600 -0.011 0.000 1.009 208 K CA -0.410 55.867 56.287 -0.015 0.000 0.888 208 K CB 1.944 34.435 32.500 -0.015 0.000 1.078 208 K HN 0.684 nan 8.250 nan 0.000 0.459 209 V N 4.626 124.543 119.914 0.005 0.000 2.888 209 V HA 0.342 4.463 4.120 0.002 0.000 0.309 209 V C -2.634 173.467 176.094 0.012 0.000 1.114 209 V CA -2.549 59.750 62.300 -0.002 0.000 0.940 209 V CB 2.621 34.441 31.823 -0.006 0.000 1.021 209 V HN 0.499 nan 8.190 nan 0.000 0.426 210 P HA 0.243 nan 4.420 nan 0.000 0.267 210 P C -0.922 176.381 177.300 0.005 0.000 1.209 210 P CA 0.007 63.109 63.100 0.003 0.000 0.763 210 P CB 0.320 32.015 31.700 -0.008 0.000 0.816 211 M N 5.350 124.965 119.600 0.025 0.000 2.114 211 M HA 0.370 4.852 4.480 0.002 0.000 0.332 211 M C -0.753 175.556 176.300 0.014 0.000 1.014 211 M CA -0.440 54.886 55.300 0.043 0.000 0.956 211 M CB 0.520 33.188 32.600 0.112 0.000 1.551 211 M HN 0.235 nan 8.290 nan 0.000 0.427 212 M N 4.169 123.701 119.600 -0.114 0.000 2.247 212 M HA 0.552 5.034 4.480 0.002 0.000 0.326 212 M C -1.058 175.177 176.300 -0.108 0.000 1.134 212 M CA -0.752 54.432 55.300 -0.192 0.000 1.136 212 M CB 1.182 33.426 32.600 -0.593 0.000 1.454 212 M HN 0.698 nan 8.290 nan 0.000 0.467 213 L N 2.303 123.528 121.223 0.003 0.000 2.482 213 L HA 0.470 4.812 4.340 0.002 0.000 0.263 213 L C -1.568 175.307 176.870 0.008 0.000 0.957 213 L CA -0.098 54.667 54.840 -0.126 0.000 0.836 213 L CB 2.264 44.078 42.059 -0.409 0.000 1.324 213 L HN 0.812 nan 8.230 nan 0.000 0.406 214 Q N 2.192 121.912 119.800 -0.135 0.000 2.389 214 Q HA 0.657 4.998 4.340 0.002 0.000 0.277 214 Q C -1.513 174.334 176.000 -0.255 0.000 1.082 214 Q CA -0.787 54.872 55.803 -0.239 0.000 0.810 214 Q CB 1.980 30.465 28.738 -0.422 0.000 1.374 214 Q HN 0.575 nan 8.270 nan 0.000 0.422 215 S N 1.418 116.998 115.700 -0.200 0.000 2.532 215 S HA 0.637 5.109 4.470 0.002 0.000 0.318 215 S C -1.237 173.272 174.600 -0.151 0.000 1.083 215 S CA -0.070 58.031 58.200 -0.165 0.000 1.131 215 S CB 0.346 63.471 63.200 -0.124 0.000 0.973 215 S HN 0.597 nan 8.310 nan 0.000 0.468 216 S N 2.204 117.808 115.700 -0.159 0.000 2.638 216 S HA 0.473 4.944 4.470 0.002 0.000 0.274 216 S C -0.975 173.553 174.600 -0.119 0.000 1.157 216 S CA -0.837 57.275 58.200 -0.147 0.000 0.826 216 S CB 1.725 64.805 63.200 -0.200 0.000 1.139 216 S HN 0.571 nan 8.310 nan 0.000 0.474 217 T N 1.949 116.445 114.554 -0.096 0.000 2.727 217 T HA 0.542 4.893 4.350 0.002 0.000 0.295 217 T C -0.438 174.220 174.700 -0.070 0.000 0.915 217 T CA 0.227 62.286 62.100 -0.069 0.000 1.066 217 T CB -0.646 68.194 68.868 -0.048 0.000 0.891 217 T HN 0.322 nan 8.240 nan 0.000 0.516 218 I N 1.849 122.388 120.570 -0.051 0.000 2.582 218 I HA 0.241 4.413 4.170 0.002 0.000 0.292 218 I C 0.249 176.389 176.117 0.039 0.000 1.066 218 I CA -0.781 60.498 61.300 -0.035 0.000 1.053 218 I CB 2.235 40.198 38.000 -0.062 0.000 1.241 218 I HN 0.413 nan 8.210 nan 0.000 0.421 219 S N 5.029 120.754 115.700 0.041 0.000 2.509 219 S HA 0.121 4.593 4.470 0.002 0.000 0.287 219 S C -0.872 173.819 174.600 0.152 0.000 1.248 219 S CA 0.200 58.449 58.200 0.082 0.000 1.089 219 S CB -0.351 62.877 63.200 0.047 0.000 0.900 219 S HN 0.420 nan 8.310 nan 0.000 0.496 220 Y N 3.660 123.979 120.300 0.031 0.000 2.545 220 Y HA 0.715 5.266 4.550 0.002 0.000 0.348 220 Y C -1.333 174.598 175.900 0.051 0.000 1.002 220 Y CA -1.422 56.701 58.100 0.037 0.000 1.039 220 Y CB 1.098 39.573 38.460 0.025 0.000 1.271 220 Y HN 0.481 nan 8.280 nan 0.000 0.467 221 L N 5.602 126.332 121.223 -0.822 0.000 2.505 221 L HA 0.368 4.709 4.340 0.002 0.000 0.266 221 L C -2.094 174.282 176.870 -0.824 0.000 0.954 221 L CA -0.482 53.978 54.840 -0.632 0.000 0.852 221 L CB 1.552 43.466 42.059 -0.241 0.000 1.282 221 L HN 0.833 nan 8.230 nan 0.000 0.403 222 H N 3.915 122.633 119.070 -0.586 0.000 2.741 222 H HA 0.332 4.890 4.556 0.002 0.000 0.282 222 H C -1.028 174.229 175.328 -0.119 0.000 1.122 222 H CA -0.414 55.478 56.048 -0.260 0.000 1.293 222 H CB 0.561 30.313 29.762 -0.016 0.000 1.415 222 H HN 0.640 nan 8.280 nan 0.000 0.472 223 D N 2.380 122.886 120.400 0.178 0.000 2.417 223 D HA -0.074 4.567 4.640 0.002 0.000 0.250 223 D C 0.780 177.171 176.300 0.152 0.000 1.166 223 D CA 0.363 54.459 54.000 0.161 0.000 0.881 223 D CB 1.107 42.033 40.800 0.211 0.000 1.164 223 D HN 0.532 nan 8.370 nan 0.000 0.467 224 S N 2.776 118.521 115.700 0.076 0.000 2.503 224 S HA 0.015 4.487 4.470 0.002 0.000 0.217 224 S C 1.230 175.854 174.600 0.039 0.000 0.999 224 S CA 0.367 58.577 58.200 0.016 0.000 0.914 224 S CB 0.177 63.369 63.200 -0.013 0.000 0.782 224 S HN 0.514 nan 8.310 nan 0.000 0.520 225 E N -0.120 120.122 120.200 0.070 0.000 2.364 225 E HA 0.277 4.628 4.350 0.002 0.000 0.196 225 E C -0.311 176.331 176.600 0.070 0.000 0.990 225 E CA 0.228 56.660 56.400 0.054 0.000 0.886 225 E CB 0.538 30.259 29.700 0.036 0.000 0.866 225 E HN 0.384 nan 8.360 nan 0.000 0.493 226 L N 1.448 122.743 121.223 0.121 0.000 2.354 226 L HA 0.369 4.710 4.340 0.002 0.000 0.264 226 L C -2.414 174.537 176.870 0.136 0.000 1.008 226 L CA -2.336 52.583 54.840 0.132 0.000 0.819 226 L CB 2.252 44.431 42.059 0.200 0.000 1.339 226 L HN -0.214 nan 8.230 nan 0.000 0.420 227 P HA 0.127 nan 4.420 nan 0.000 0.231 227 P C -0.927 176.421 177.300 0.080 0.000 1.811 227 P CA -0.179 62.979 63.100 0.095 0.000 1.051 227 P CB -0.217 31.524 31.700 0.068 0.000 1.951 228 C N 0.219 119.564 119.300 0.076 0.000 3.288 228 C HA 0.638 5.099 4.460 0.002 0.000 0.318 228 C C -1.086 173.847 174.990 -0.095 0.000 1.356 228 C CA -0.782 58.239 59.018 0.004 0.000 1.359 228 C CB 1.805 29.577 27.740 0.052 0.000 1.688 228 C HN 0.361 nan 8.230 nan 0.000 0.467 229 Q N 0.865 120.559 119.800 -0.177 0.000 2.387 229 Q HA 0.896 5.237 4.340 0.002 0.000 0.273 229 Q C -1.075 174.817 176.000 -0.180 0.000 1.089 229 Q CA -0.681 54.967 55.803 -0.259 0.000 0.824 229 Q CB 2.632 31.213 28.738 -0.262 0.000 1.367 229 Q HN 0.847 nan 8.270 nan 0.000 0.443 230 L N -1.804 119.277 121.223 -0.238 0.000 2.518 230 L HA 0.901 5.243 4.340 0.002 0.000 0.257 230 L C -0.908 175.978 176.870 0.026 0.000 0.980 230 L CA -1.170 53.634 54.840 -0.061 0.000 0.837 230 L CB 1.499 43.367 42.059 -0.319 0.000 1.410 230 L HN 0.453 nan 8.230 nan 0.000 0.410 231 V N -0.963 119.088 119.914 0.229 0.000 3.046 231 V HA 0.691 4.812 4.120 0.002 0.000 0.316 231 V C -0.915 175.269 176.094 0.149 0.000 1.104 231 V CA -0.497 61.925 62.300 0.203 0.000 1.006 231 V CB 1.776 33.742 31.823 0.237 0.000 1.058 231 V HN 1.068 nan 8.190 nan 0.000 0.440 232 Q N 2.574 122.387 119.800 0.023 0.000 2.325 232 Q HA 0.650 4.991 4.340 0.002 0.000 0.270 232 Q C -1.279 174.652 176.000 -0.114 0.000 1.020 232 Q CA -0.732 54.959 55.803 -0.187 0.000 0.785 232 Q CB 1.912 30.398 28.738 -0.420 0.000 1.259 232 Q HN 0.906 nan 8.270 nan 0.000 0.452 233 M N 2.164 121.707 119.600 -0.094 0.000 2.537 233 M HA 0.497 4.978 4.480 0.002 0.000 0.324 233 M C -0.641 175.588 176.300 -0.118 0.000 1.187 233 M CA -1.070 54.178 55.300 -0.087 0.000 0.993 233 M CB 1.392 33.953 32.600 -0.063 0.000 1.666 233 M HN 0.450 nan 8.290 nan 0.000 0.461 234 N N 0.850 119.497 118.700 -0.089 0.000 2.456 234 N HA 0.508 5.249 4.740 0.002 0.000 0.296 234 N C -1.470 174.005 175.510 -0.059 0.000 1.102 234 N CA -0.223 52.786 53.050 -0.069 0.000 0.924 234 N CB 1.010 39.475 38.487 -0.037 0.000 1.186 234 N HN 0.441 nan 8.380 nan 0.000 0.492 235 Y N -0.512 119.900 120.300 0.187 0.000 2.432 235 Y HA 0.314 4.866 4.550 0.002 0.000 0.322 235 Y C 0.674 176.624 175.900 0.084 0.000 1.246 235 Y CA -1.006 57.183 58.100 0.149 0.000 1.268 235 Y CB 0.784 39.321 38.460 0.129 0.000 1.276 235 Y HN 0.082 nan 8.280 nan 0.000 0.499 236 V N 2.642 122.699 119.914 0.237 0.000 2.617 236 V HA 0.294 4.415 4.120 0.002 0.000 0.304 236 V C 0.766 176.931 176.094 0.118 0.000 1.040 236 V CA 1.207 63.583 62.300 0.126 0.000 1.149 236 V CB -0.352 31.518 31.823 0.078 0.000 0.914 236 V HN 1.080 nan 8.190 nan 0.000 0.487 237 G N 5.197 114.049 108.800 0.086 0.000 2.484 237 G HA2 -0.221 3.741 3.960 0.002 0.000 0.225 237 G HA3 -0.221 3.741 3.960 0.002 0.000 0.225 237 G C 0.381 175.344 174.900 0.104 0.000 1.250 237 G CA 0.224 45.372 45.100 0.080 0.000 0.926 237 G HN 0.564 nan 8.290 nan 0.000 0.581 238 N N 1.415 120.192 118.700 0.128 0.000 2.392 238 N HA 0.160 4.902 4.740 0.002 0.000 0.177 238 N C 1.402 177.025 175.510 0.188 0.000 1.066 238 N CA 1.085 54.225 53.050 0.150 0.000 0.895 238 N CB -0.051 38.537 38.487 0.168 0.000 0.988 238 N HN 0.989 nan 8.380 nan 0.000 0.457 239 G N -0.061 108.899 108.800 0.266 0.000 2.432 239 G HA2 0.278 4.240 3.960 0.002 0.000 0.239 239 G HA3 0.278 4.240 3.960 0.002 0.000 0.239 239 G C -0.314 174.847 174.900 0.434 0.000 1.291 239 G CA 0.299 45.626 45.100 0.378 0.000 0.863 239 G HN 0.044 nan 8.290 nan 0.000 0.560 240 T N -0.319 114.436 114.554 0.334 0.000 2.900 240 T HA 0.532 4.883 4.350 0.002 0.000 0.303 240 T C -1.208 173.612 174.700 0.200 0.000 1.142 240 T CA -0.485 61.710 62.100 0.158 0.000 1.007 240 T CB 1.871 70.750 68.868 0.019 0.000 1.156 240 T HN 0.855 nan 8.240 nan 0.000 0.490 241 V N 4.689 124.609 119.914 0.010 0.000 2.760 241 V HA 0.761 4.883 4.120 0.002 0.000 0.309 241 V C -1.729 174.282 176.094 -0.138 0.000 1.077 241 V CA -0.802 61.523 62.300 0.042 0.000 0.910 241 V CB 1.458 33.316 31.823 0.058 0.000 1.008 241 V HN 0.870 nan 8.190 nan 0.000 0.424 242 F N 6.224 126.221 119.950 0.078 0.000 2.420 242 F HA 0.635 5.163 4.527 0.002 0.000 0.342 242 F C -0.315 175.425 175.800 -0.099 0.000 1.113 242 F CA -0.443 57.614 58.000 0.094 0.000 1.059 242 F CB 1.587 40.743 39.000 0.260 0.000 1.128 242 F HN 0.358 nan 8.300 nan 0.000 0.475 243 F N 4.265 124.380 119.950 0.275 0.000 2.427 243 F HA 0.566 5.095 4.527 0.003 0.000 0.348 243 F C -0.570 175.441 175.800 0.351 0.000 1.125 243 F CA -0.743 57.359 58.000 0.170 0.000 0.989 243 F CB 1.165 39.975 39.000 -0.317 0.000 1.165 243 F HN 0.149 nan 8.300 nan 0.000 0.442 244 I N 4.898 125.832 120.570 0.608 0.000 2.389 244 I HA 0.319 4.490 4.170 0.002 0.000 0.288 244 I C -1.063 175.400 176.117 0.578 0.000 0.999 244 I CA -0.673 60.877 61.300 0.415 0.000 1.129 244 I CB 1.758 39.842 38.000 0.141 0.000 1.288 244 I HN 0.335 nan 8.210 nan 0.000 0.444 245 L N 9.680 131.090 121.223 0.311 0.000 2.283 245 L HA 0.659 5.000 4.340 0.002 0.000 0.281 245 L C -2.507 174.385 176.870 0.036 0.000 1.033 245 L CA -1.848 53.045 54.840 0.088 0.000 0.848 245 L CB 0.643 42.420 42.059 -0.470 0.000 1.226 245 L HN 0.281 nan 8.230 nan 0.000 0.429 246 P HA 0.122 nan 4.420 nan 0.000 0.271 246 P C -0.933 176.376 177.300 0.014 0.000 1.218 246 P CA -0.234 62.911 63.100 0.075 0.000 0.780 246 P CB 0.460 32.228 31.700 0.115 0.000 0.901 247 D N 1.029 121.430 120.400 0.002 0.000 2.419 247 D HA -0.023 4.619 4.640 0.002 0.000 0.236 247 D C 0.523 176.819 176.300 -0.006 0.000 1.165 247 D CA 0.287 54.276 54.000 -0.018 0.000 0.882 247 D CB 0.332 41.132 40.800 -0.000 0.000 1.201 247 D HN 0.266 nan 8.370 nan 0.000 0.443 248 K N 0.034 120.418 120.400 -0.026 0.000 2.451 248 K HA 0.206 4.528 4.320 0.002 0.000 0.280 248 K C 0.989 177.588 176.600 -0.002 0.000 1.020 248 K CA 0.597 56.871 56.287 -0.021 0.000 1.008 248 K CB 0.132 32.601 32.500 -0.051 0.000 0.917 248 K HN 0.554 nan 8.250 nan 0.000 0.478 249 G N 3.417 112.225 108.800 0.014 0.000 2.179 249 G HA2 -0.228 3.734 3.960 0.002 0.000 0.260 249 G HA3 -0.228 3.734 3.960 0.002 0.000 0.260 249 G C 0.395 175.311 174.900 0.028 0.000 0.977 249 G CA 0.343 45.455 45.100 0.020 0.000 0.641 249 G HN 0.611 nan 8.290 nan 0.000 0.533 250 K N -0.557 119.864 120.400 0.036 0.000 2.455 250 K HA 0.388 4.709 4.320 0.002 0.000 0.206 250 K C 1.899 178.537 176.600 0.063 0.000 1.027 250 K CA 0.224 56.538 56.287 0.044 0.000 1.113 250 K CB 0.178 32.704 32.500 0.043 0.000 0.850 250 K HN 0.436 nan 8.250 nan 0.000 0.503 251 M N 1.756 121.399 119.600 0.072 0.000 2.082 251 M HA -0.185 4.296 4.480 0.002 0.000 0.258 251 M C 1.060 177.408 176.300 0.079 0.000 1.069 251 M CA 1.894 57.252 55.300 0.096 0.000 1.102 251 M CB -0.360 32.299 32.600 0.099 0.000 1.336 251 M HN 0.022 nan 8.290 nan 0.000 0.404 252 N N -0.700 118.028 118.700 0.048 0.000 2.223 252 N HA -0.098 4.644 4.740 0.002 0.000 0.185 252 N C 1.597 177.121 175.510 0.023 0.000 1.016 252 N CA 1.888 54.952 53.050 0.024 0.000 0.863 252 N CB -0.727 37.764 38.487 0.006 0.000 0.983 252 N HN 0.504 nan 8.380 nan 0.000 0.429 253 T N 0.491 115.065 114.554 0.033 0.000 2.777 253 T HA -0.017 4.334 4.350 0.002 0.000 0.266 253 T C 2.140 176.866 174.700 0.044 0.000 1.040 253 T CA 0.742 62.859 62.100 0.030 0.000 1.141 253 T CB -0.143 68.745 68.868 0.034 0.000 0.868 253 T HN -0.022 nan 8.240 nan 0.000 0.444 254 V N 1.266 121.229 119.914 0.082 0.000 2.323 254 V HA -0.045 4.076 4.120 0.002 0.000 0.244 254 V C 2.414 178.573 176.094 0.108 0.000 1.041 254 V CA 1.124 63.501 62.300 0.128 0.000 1.025 254 V CB -0.540 31.398 31.823 0.193 0.000 0.656 254 V HN 0.458 nan 8.190 nan 0.000 0.451 255 I N 0.801 121.438 120.570 0.113 0.000 2.118 255 I HA -0.311 3.860 4.170 0.002 0.000 0.241 255 I C 2.719 178.847 176.117 0.020 0.000 1.070 255 I CA 1.773 63.141 61.300 0.113 0.000 1.327 255 I CB -0.692 37.367 38.000 0.099 0.000 1.034 255 I HN 0.323 nan 8.210 nan 0.000 0.405 256 A N 0.601 123.414 122.820 -0.012 0.000 1.986 256 A HA -0.184 4.137 4.320 0.002 0.000 0.220 256 A C 2.332 179.865 177.584 -0.086 0.000 1.171 256 A CA 2.027 54.034 52.037 -0.050 0.000 0.640 256 A CB -0.640 18.334 19.000 -0.043 0.000 0.811 256 A HN 0.506 nan 8.150 nan 0.000 0.451 257 A N -0.974 121.790 122.820 -0.093 0.000 2.218 257 A HA 0.454 4.775 4.320 0.002 0.000 0.209 257 A C 0.790 178.189 177.584 -0.308 0.000 1.168 257 A CA -0.338 51.604 52.037 -0.159 0.000 0.804 257 A CB -0.316 18.616 19.000 -0.113 0.000 0.834 257 A HN 0.421 nan 8.150 nan 0.000 0.482 258 L N 1.785 122.788 121.223 -0.367 0.000 2.499 258 L HA 0.305 4.646 4.340 0.002 0.000 0.273 258 L C 0.544 176.896 176.870 -0.864 0.000 1.195 258 L CA 0.318 54.706 54.840 -0.753 0.000 0.882 258 L CB 0.390 41.940 42.059 -0.849 0.000 1.133 258 L HN 0.481 nan 8.230 nan 0.000 0.483 259 S N 1.643 116.782 115.700 -0.935 0.000 2.627 259 S HA 0.326 4.798 4.470 0.002 0.000 0.268 259 S C 0.318 174.818 174.600 -0.167 0.000 1.130 259 S CA -1.092 56.880 58.200 -0.379 0.000 0.819 259 S CB 1.413 64.465 63.200 -0.246 0.000 1.100 259 S HN 0.587 nan 8.310 nan 0.000 0.465 260 R N 0.597 121.125 120.500 0.046 0.000 2.112 260 R HA -0.147 4.195 4.340 0.002 0.000 0.242 260 R C 1.202 177.389 176.300 -0.189 0.000 1.137 260 R CA 2.449 58.519 56.100 -0.050 0.000 0.944 260 R CB -0.651 29.613 30.300 -0.060 0.000 0.857 260 R HN 0.709 nan 8.270 nan 0.000 0.435 261 D N -0.699 119.585 120.400 -0.193 0.000 2.182 261 D HA -0.121 4.520 4.640 0.002 0.000 0.201 261 D C 1.714 177.825 176.300 -0.316 0.000 0.986 261 D CA 1.527 55.395 54.000 -0.219 0.000 0.847 261 D CB -0.147 40.548 40.800 -0.176 0.000 0.942 261 D HN 0.294 nan 8.370 nan 0.000 0.467 262 T N 1.523 115.810 114.554 -0.445 0.000 2.812 262 T HA -0.078 4.273 4.350 0.002 0.000 0.264 262 T C 2.053 176.245 174.700 -0.846 0.000 1.042 262 T CA 0.275 61.927 62.100 -0.745 0.000 1.140 262 T CB 0.074 68.365 68.868 -0.963 0.000 0.870 262 T HN 0.050 nan 8.240 nan 0.000 0.445 263 I N 2.578 122.788 120.570 -0.601 0.000 2.118 263 I HA -0.164 4.007 4.170 0.002 0.000 0.241 263 I C 2.175 178.145 176.117 -0.244 0.000 1.070 263 I CA 1.349 62.406 61.300 -0.404 0.000 1.327 263 I CB -1.477 36.304 38.000 -0.365 0.000 1.034 263 I HN 0.216 nan 8.210 nan 0.000 0.405 264 N N 0.611 119.148 118.700 -0.272 0.000 2.166 264 N HA -0.192 4.549 4.740 0.002 0.000 0.186 264 N C 1.999 177.450 175.510 -0.098 0.000 1.019 264 N CA 1.016 53.950 53.050 -0.193 0.000 0.856 264 N CB -0.426 37.934 38.487 -0.211 0.000 0.993 264 N HN 0.392 nan 8.380 nan 0.000 0.426 265 R N -0.606 119.810 120.500 -0.140 0.000 2.090 265 R HA -0.072 4.269 4.340 0.002 0.000 0.228 265 R C 1.631 177.985 176.300 0.091 0.000 1.110 265 R CA 0.843 56.901 56.100 -0.070 0.000 0.973 265 R CB -0.091 30.118 30.300 -0.152 0.000 0.869 265 R HN 0.217 nan 8.270 nan 0.000 0.440 266 W N 0.492 121.773 121.300 -0.030 0.000 2.381 266 W HA 0.028 4.689 4.660 0.002 0.000 0.301 266 W C 2.328 178.907 176.519 0.101 0.000 1.205 266 W CA 0.685 58.048 57.345 0.030 0.000 1.285 266 W CB -1.052 28.421 29.460 0.023 0.000 1.133 266 W HN 0.082 nan 8.180 nan 0.000 0.521 267 S N 0.415 116.317 115.700 0.335 0.000 2.383 267 S HA -0.140 4.332 4.470 0.002 0.000 0.229 267 S C 2.008 176.716 174.600 0.181 0.000 1.030 267 S CA 1.631 59.999 58.200 0.279 0.000 1.002 267 S CB -0.604 62.717 63.200 0.202 0.000 0.829 267 S HN 0.212 nan 8.310 nan 0.000 0.467 268 A N 0.790 123.686 122.820 0.126 0.000 2.066 268 A HA 0.206 4.528 4.320 0.002 0.000 0.218 268 A C 2.114 179.756 177.584 0.098 0.000 1.157 268 A CA 1.398 53.488 52.037 0.088 0.000 0.670 268 A CB -0.710 18.318 19.000 0.047 0.000 0.804 268 A HN 0.520 nan 8.150 nan 0.000 0.453 269 G N -1.002 107.875 108.800 0.129 0.000 2.719 269 G HA2 0.316 4.278 3.960 0.002 0.000 0.211 269 G HA3 0.316 4.278 3.960 0.002 0.000 0.211 269 G C 0.527 175.488 174.900 0.101 0.000 1.140 269 G CA -0.325 44.841 45.100 0.111 0.000 0.790 269 G HN 0.360 nan 8.290 nan 0.000 0.529 270 L N 2.450 123.748 121.223 0.126 0.000 2.513 270 L HA 0.261 4.602 4.340 0.002 0.000 0.272 270 L C -0.083 176.848 176.870 0.101 0.000 1.187 270 L CA 0.231 55.135 54.840 0.108 0.000 0.895 270 L CB 0.830 42.975 42.059 0.143 0.000 1.147 270 L HN -0.038 nan 8.230 nan 0.000 0.483 271 T N 0.984 115.601 114.554 0.106 0.000 2.876 271 T HA 0.226 4.578 4.350 0.002 0.000 0.289 271 T C -0.139 174.626 174.700 0.110 0.000 1.014 271 T CA -0.737 61.424 62.100 0.102 0.000 0.986 271 T CB 1.688 70.618 68.868 0.103 0.000 1.021 271 T HN 0.417 nan 8.240 nan 0.000 0.458 272 S N 2.741 118.486 115.700 0.074 0.000 2.571 272 S HA 0.317 4.788 4.470 0.002 0.000 0.297 272 S C 0.130 174.760 174.600 0.050 0.000 1.234 272 S CA -0.212 58.019 58.200 0.052 0.000 1.120 272 S CB -0.220 62.997 63.200 0.029 0.000 0.923 272 S HN 0.668 nan 8.310 nan 0.000 0.504 273 S N 2.812 118.537 115.700 0.043 0.000 2.570 273 S HA 0.367 4.839 4.470 0.002 0.000 0.286 273 S C -0.884 173.684 174.600 -0.052 0.000 1.099 273 S CA -1.061 57.140 58.200 0.003 0.000 0.913 273 S CB 1.307 64.511 63.200 0.007 0.000 1.085 273 S HN 0.564 nan 8.310 nan 0.000 0.480 274 Q N 1.771 121.526 119.800 -0.075 0.000 2.296 274 Q HA 0.362 4.703 4.340 0.002 0.000 0.263 274 Q C -0.832 175.082 176.000 -0.143 0.000 1.026 274 Q CA 0.036 55.783 55.803 -0.094 0.000 0.912 274 Q CB 0.816 29.510 28.738 -0.075 0.000 1.198 274 Q HN 0.430 nan 8.270 nan 0.000 0.407 275 V N 2.645 122.472 119.914 -0.145 0.000 2.588 275 V HA 0.201 4.322 4.120 0.002 0.000 0.304 275 V C -0.440 175.569 176.094 -0.142 0.000 1.042 275 V CA -0.987 61.211 62.300 -0.170 0.000 0.877 275 V CB 2.238 33.965 31.823 -0.159 0.000 0.996 275 V HN 0.536 nan 8.190 nan 0.000 0.425 276 D N 4.012 124.342 120.400 -0.115 0.000 2.422 276 D HA 0.338 4.979 4.640 0.002 0.000 0.227 276 D C -0.420 175.804 176.300 -0.126 0.000 1.190 276 D CA -0.061 53.859 54.000 -0.133 0.000 0.905 276 D CB 1.309 42.091 40.800 -0.030 0.000 1.034 276 D HN 0.312 nan 8.370 nan 0.000 0.507 277 L N 4.213 125.319 121.223 -0.194 0.000 2.257 277 L HA 0.306 4.648 4.340 0.002 0.000 0.290 277 L C -1.498 175.323 176.870 -0.081 0.000 1.044 277 L CA -0.570 54.236 54.840 -0.057 0.000 0.810 277 L CB 0.211 42.228 42.059 -0.070 0.000 1.193 277 L HN 0.165 nan 8.230 nan 0.000 0.425 278 Y N 6.174 126.515 120.300 0.069 0.000 2.342 278 Y HA 0.619 5.170 4.550 0.002 0.000 0.338 278 Y C -0.077 175.817 175.900 -0.011 0.000 0.965 278 Y CA -0.463 57.651 58.100 0.024 0.000 1.159 278 Y CB 1.162 39.622 38.460 0.001 0.000 1.157 278 Y HN 0.415 nan 8.280 nan 0.000 0.486 279 I N 6.319 126.829 120.570 -0.100 0.000 2.569 279 I HA 0.368 4.539 4.170 0.002 0.000 0.290 279 I C -2.552 173.392 176.117 -0.288 0.000 1.088 279 I CA -2.480 58.607 61.300 -0.354 0.000 1.047 279 I CB 2.883 40.411 38.000 -0.787 0.000 1.237 279 I HN 0.325 nan 8.210 nan 0.000 0.421 280 P HA 0.150 nan 4.420 nan 0.000 0.276 280 P C -1.235 176.028 177.300 -0.062 0.000 1.244 280 P CA -0.606 62.485 63.100 -0.014 0.000 0.801 280 P CB 0.547 32.329 31.700 0.136 0.000 1.006 281 K N 1.158 121.522 120.400 -0.060 0.000 2.307 281 K HA 0.223 4.545 4.320 0.002 0.000 0.285 281 K C -0.269 176.320 176.600 -0.018 0.000 1.073 281 K CA -0.279 55.984 56.287 -0.039 0.000 0.996 281 K CB -0.302 32.177 32.500 -0.036 0.000 0.994 281 K HN 0.221 nan 8.250 nan 0.000 0.452 282 V N 3.230 123.149 119.914 0.009 0.000 2.465 282 V HA 0.140 4.262 4.120 0.002 0.000 0.279 282 V C 0.181 176.241 176.094 -0.058 0.000 1.045 282 V CA -0.252 62.041 62.300 -0.012 0.000 0.938 282 V CB 1.565 33.419 31.823 0.050 0.000 0.986 282 V HN 0.676 nan 8.190 nan 0.000 0.467 283 T N 6.947 121.452 114.554 -0.083 0.000 2.930 283 T HA 0.648 4.999 4.350 0.002 0.000 0.313 283 T C -0.461 174.175 174.700 -0.106 0.000 1.019 283 T CA -0.176 61.867 62.100 -0.095 0.000 1.004 283 T CB 0.455 69.282 68.868 -0.067 0.000 0.987 283 T HN 0.641 nan 8.240 nan 0.000 0.456 284 I N -0.022 120.462 120.570 -0.142 0.000 3.095 284 I HA 0.973 5.144 4.170 0.002 0.000 0.310 284 I C -0.665 175.392 176.117 -0.101 0.000 1.196 284 I CA -1.082 60.148 61.300 -0.117 0.000 0.985 284 I CB 2.654 40.584 38.000 -0.116 0.000 1.250 284 I HN 0.569 nan 8.210 nan 0.000 0.446 285 S N 1.465 117.147 115.700 -0.029 0.000 2.565 285 S HA 0.938 5.409 4.470 0.002 0.000 0.269 285 S C -0.748 173.866 174.600 0.024 0.000 1.153 285 S CA -0.254 57.957 58.200 0.018 0.000 0.835 285 S CB 1.461 64.655 63.200 -0.010 0.000 1.122 285 S HN 1.435 nan 8.310 nan 0.000 0.462 286 G N -0.069 108.735 108.800 0.008 0.000 2.690 286 G HA2 0.677 4.639 3.960 0.002 0.000 0.291 286 G HA3 0.677 4.639 3.960 0.002 0.000 0.291 286 G C -1.779 172.785 174.900 -0.560 0.000 1.403 286 G CA -0.829 44.090 45.100 -0.301 0.000 0.864 286 G HN 1.205 nan 8.290 nan 0.000 0.480 287 V N 0.389 119.810 119.914 -0.823 0.000 2.588 287 V HA 0.600 4.721 4.120 0.002 0.000 0.304 287 V C -1.495 174.125 176.094 -0.790 0.000 1.042 287 V CA -0.791 61.147 62.300 -0.604 0.000 0.877 287 V CB 1.222 32.883 31.823 -0.271 0.000 0.996 287 V HN 0.684 nan 8.190 nan 0.000 0.425 288 Y N 1.427 121.716 120.300 -0.020 0.000 2.346 288 Y HA 0.430 4.981 4.550 0.002 0.000 0.332 288 Y C -0.073 175.805 175.900 -0.036 0.000 0.985 288 Y CA -0.911 57.187 58.100 -0.004 0.000 1.112 288 Y CB 1.579 40.062 38.460 0.040 0.000 1.170 288 Y HN 0.584 nan 8.280 nan 0.000 0.447 289 D N 3.992 124.430 120.400 0.064 0.000 2.338 289 D HA 0.136 4.777 4.640 0.002 0.000 0.255 289 D C 0.416 176.722 176.300 0.011 0.000 1.237 289 D CA 0.352 54.347 54.000 -0.008 0.000 0.883 289 D CB 1.038 41.819 40.800 -0.032 0.000 1.087 289 D HN 0.746 nan 8.370 nan 0.000 0.485 290 L N 3.243 124.465 121.223 -0.002 0.000 2.558 290 L HA 0.118 4.460 4.340 0.002 0.000 0.225 290 L C 2.375 179.229 176.870 -0.027 0.000 1.128 290 L CA 0.147 54.996 54.840 0.015 0.000 0.868 290 L CB 0.092 42.179 42.059 0.048 0.000 1.006 290 L HN 0.469 nan 8.230 nan 0.000 0.454 291 G N 1.532 110.250 108.800 -0.136 0.000 2.491 291 G HA2 -0.343 3.619 3.960 0.002 0.000 0.218 291 G HA3 -0.343 3.619 3.960 0.002 0.000 0.218 291 G C 1.157 175.874 174.900 -0.305 0.000 1.180 291 G CA 1.329 46.184 45.100 -0.409 0.000 0.774 291 G HN 0.560 nan 8.290 nan 0.000 0.562 292 D N 0.479 120.766 120.400 -0.187 0.000 2.183 292 D HA -0.064 4.578 4.640 0.002 0.000 0.203 292 D C 2.478 178.742 176.300 -0.061 0.000 0.969 292 D CA 0.947 54.881 54.000 -0.110 0.000 0.842 292 D CB -0.837 39.919 40.800 -0.074 0.000 0.957 292 D HN 0.269 nan 8.370 nan 0.000 0.484 293 V N 1.104 120.989 119.914 -0.049 0.000 2.255 293 V HA -0.246 3.875 4.120 0.002 0.000 0.247 293 V C 2.837 178.872 176.094 -0.099 0.000 1.051 293 V CA 1.478 63.743 62.300 -0.058 0.000 1.018 293 V CB -0.695 31.107 31.823 -0.035 0.000 0.641 293 V HN 0.200 nan 8.190 nan 0.000 0.445 294 L N -0.396 120.823 121.223 -0.006 0.000 2.042 294 L HA -0.221 4.121 4.340 0.002 0.000 0.210 294 L C 2.593 179.512 176.870 0.081 0.000 1.076 294 L CA 1.779 56.668 54.840 0.081 0.000 0.749 294 L CB -0.699 41.511 42.059 0.253 0.000 0.893 294 L HN 0.391 nan 8.230 nan 0.000 0.432 295 E N -0.034 120.218 120.200 0.087 0.000 2.110 295 E HA -0.230 4.121 4.350 0.002 0.000 0.193 295 E C 2.093 178.697 176.600 0.007 0.000 0.988 295 E CA 1.119 57.569 56.400 0.083 0.000 0.804 295 E CB -0.039 29.696 29.700 0.058 0.000 0.745 295 E HN 0.505 nan 8.360 nan 0.000 0.458 296 E N 0.155 120.319 120.200 -0.060 0.000 2.153 296 E HA -0.157 4.195 4.350 0.002 0.000 0.194 296 E C 1.764 178.240 176.600 -0.205 0.000 0.988 296 E CA 0.871 57.211 56.400 -0.099 0.000 0.811 296 E CB -0.060 29.587 29.700 -0.088 0.000 0.746 296 E HN 0.338 nan 8.360 nan 0.000 0.466 297 M N -0.764 118.661 119.600 -0.292 0.000 2.618 297 M HA 0.073 4.555 4.480 0.002 0.000 0.240 297 M C 1.089 177.363 176.300 -0.043 0.000 1.123 297 M CA 0.641 55.802 55.300 -0.232 0.000 1.060 297 M CB 0.714 33.180 32.600 -0.224 0.000 1.535 297 M HN 0.278 nan 8.290 nan 0.000 0.507 298 G N 1.435 110.230 108.800 -0.007 0.000 2.157 298 G HA2 -0.227 3.735 3.960 0.002 0.000 0.239 298 G HA3 -0.227 3.735 3.960 0.002 0.000 0.239 298 G C 0.091 175.021 174.900 0.050 0.000 0.982 298 G CA -0.465 44.654 45.100 0.032 0.000 0.650 298 G HN 0.472 nan 8.290 nan 0.000 0.527 299 I N 1.242 121.856 120.570 0.073 0.000 2.282 299 I HA 0.563 4.735 4.170 0.002 0.000 0.290 299 I C 1.150 177.363 176.117 0.160 0.000 1.090 299 I CA 0.336 61.686 61.300 0.082 0.000 1.231 299 I CB 0.957 39.019 38.000 0.102 0.000 1.434 299 I HN 0.205 nan 8.210 nan 0.000 0.487 300 A N 3.175 126.063 122.820 0.113 0.000 1.878 300 A HA 0.089 4.410 4.320 0.002 0.000 0.201 300 A C 1.611 179.268 177.584 0.122 0.000 1.684 300 A CA 0.005 52.165 52.037 0.206 0.000 1.113 300 A CB 0.018 19.116 19.000 0.164 0.000 1.131 300 A HN 0.486 nan 8.150 nan 0.000 0.472 301 D N 1.230 121.654 120.400 0.040 0.000 2.172 301 D HA -0.194 4.447 4.640 0.002 0.000 0.196 301 D C 1.858 178.106 176.300 -0.086 0.000 0.999 301 D CA 1.101 55.105 54.000 0.007 0.000 0.856 301 D CB -0.435 40.376 40.800 0.019 0.000 0.934 301 D HN 0.411 nan 8.370 nan 0.000 0.453 302 L N -0.678 120.390 121.223 -0.257 0.000 2.151 302 L HA -0.262 4.080 4.340 0.002 0.000 0.219 302 L C 1.934 178.641 176.870 -0.272 0.000 1.083 302 L CA 1.511 56.113 54.840 -0.396 0.000 0.782 302 L CB -0.534 40.973 42.059 -0.920 0.000 0.891 302 L HN 0.122 nan 8.230 nan 0.000 0.439 303 F N -1.204 118.818 119.950 0.119 0.000 2.721 303 F HA 0.053 4.582 4.527 0.003 0.000 0.301 303 F C 1.690 177.533 175.800 0.072 0.000 1.096 303 F CA -0.238 57.818 58.000 0.094 0.000 1.308 303 F CB -0.034 39.005 39.000 0.065 0.000 1.086 303 F HN 0.032 nan 8.300 nan 0.000 0.587 304 T N -3.021 111.643 114.554 0.185 0.000 2.847 304 T HA 0.115 4.466 4.350 0.002 0.000 0.279 304 T C 1.173 175.928 174.700 0.092 0.000 0.984 304 T CA -0.389 61.786 62.100 0.124 0.000 0.988 304 T CB 1.395 70.316 68.868 0.088 0.000 1.040 304 T HN -0.078 nan 8.240 nan 0.000 0.528 305 T N 1.138 115.732 114.554 0.067 0.000 3.155 305 T HA -0.000 4.351 4.350 0.002 0.000 0.264 305 T C 0.944 175.668 174.700 0.039 0.000 1.160 305 T CA 0.928 63.058 62.100 0.050 0.000 1.075 305 T CB -0.259 68.630 68.868 0.035 0.000 0.921 305 T HN 0.631 nan 8.240 nan 0.000 0.533 306 Q N 0.349 120.170 119.800 0.035 0.000 2.155 306 Q HA 0.500 4.841 4.340 0.002 0.000 0.220 306 Q C 0.442 176.448 176.000 0.009 0.000 0.819 306 Q CA -0.262 55.551 55.803 0.017 0.000 1.032 306 Q CB 0.503 29.242 28.738 0.001 0.000 1.151 306 Q HN 0.357 nan 8.270 nan 0.000 0.487 307 A N 1.691 124.530 122.820 0.032 0.000 2.567 307 A HA 0.079 4.401 4.320 0.002 0.000 0.240 307 A C 0.114 177.671 177.584 -0.044 0.000 1.053 307 A CA 0.044 52.080 52.037 -0.003 0.000 0.755 307 A CB 0.071 19.162 19.000 0.152 0.000 0.978 307 A HN 0.253 nan 8.150 nan 0.000 0.507 308 N N 2.348 120.918 118.700 -0.216 0.000 2.699 308 N HA 0.317 5.059 4.740 0.002 0.000 0.232 308 N C -1.308 173.975 175.510 -0.379 0.000 1.027 308 N CA -0.222 52.713 53.050 -0.193 0.000 0.920 308 N CB -0.057 38.344 38.487 -0.143 0.000 1.148 308 N HN 0.482 nan 8.380 nan 0.000 0.509 309 F N 1.092 120.991 119.950 -0.085 0.000 2.925 309 F HA 0.122 4.650 4.527 0.002 0.000 0.302 309 F C 1.927 177.643 175.800 -0.140 0.000 1.189 309 F CA -0.346 57.578 58.000 -0.127 0.000 1.346 309 F CB 0.271 39.187 39.000 -0.140 0.000 0.954 309 F HN 0.418 nan 8.300 nan 0.000 0.506 310 S N -0.999 114.696 115.700 -0.009 0.000 2.515 310 S HA -0.078 4.393 4.470 0.002 0.000 0.231 310 S C 1.874 176.452 174.600 -0.037 0.000 0.987 310 S CA 0.404 58.594 58.200 -0.016 0.000 0.936 310 S CB -0.151 63.038 63.200 -0.018 0.000 0.766 310 S HN 0.457 nan 8.310 nan 0.000 0.528 311 R N 0.323 120.785 120.500 -0.063 0.000 2.246 311 R HA 0.390 4.731 4.340 0.002 0.000 0.199 311 R C 1.844 178.013 176.300 -0.218 0.000 0.984 311 R CA 0.564 56.626 56.100 -0.064 0.000 1.015 311 R CB -0.281 30.018 30.300 -0.001 0.000 0.930 311 R HN 0.451 nan 8.270 nan 0.000 0.475 312 I N -0.586 119.739 120.570 -0.409 0.000 2.133 312 I HA -0.134 4.038 4.170 0.002 0.000 0.238 312 I C 1.105 177.048 176.117 -0.290 0.000 1.074 312 I CA 1.087 61.922 61.300 -0.775 0.000 1.342 312 I CB -0.058 37.560 38.000 -0.637 0.000 1.053 312 I HN 0.052 nan 8.210 nan 0.000 0.404 313 T N -0.567 113.902 114.554 -0.142 0.000 2.932 313 T HA 0.214 4.566 4.350 0.002 0.000 0.318 313 T C -0.387 174.299 174.700 -0.025 0.000 1.265 313 T CA -0.720 61.351 62.100 -0.049 0.000 1.036 313 T CB 1.732 70.580 68.868 -0.033 0.000 1.209 313 T HN 0.380 nan 8.240 nan 0.000 0.484 314 Q N 1.604 121.402 119.800 -0.005 0.000 2.247 314 Q HA 0.250 4.591 4.340 0.002 0.000 0.204 314 Q C -0.030 175.972 176.000 0.003 0.000 0.872 314 Q CA -0.157 55.647 55.803 0.001 0.000 0.951 314 Q CB 0.339 29.080 28.738 0.005 0.000 1.099 314 Q HN 0.483 nan 8.270 nan 0.000 0.501 315 D N 1.599 122.001 120.400 0.004 0.000 2.277 315 D HA 0.148 4.789 4.640 0.002 0.000 0.208 315 D C 0.201 176.504 176.300 0.005 0.000 0.962 315 D CA 0.873 54.877 54.000 0.007 0.000 0.865 315 D CB 0.588 41.395 40.800 0.012 0.000 0.939 315 D HN 0.432 nan 8.370 nan 0.000 0.510 316 A N -0.182 122.638 122.820 0.000 0.000 2.606 316 A HA 0.519 4.840 4.320 0.002 0.000 0.293 316 A C -1.306 176.279 177.584 0.002 0.000 1.082 316 A CA -0.716 51.321 52.037 0.000 0.000 0.685 316 A CB 1.216 20.214 19.000 -0.004 0.000 1.284 316 A HN -0.103 nan 8.150 nan 0.000 0.408 317 Q N 1.047 120.853 119.800 0.010 0.000 2.331 317 Q HA 0.585 4.926 4.340 0.002 0.000 0.257 317 Q C -0.908 175.110 176.000 0.030 0.000 0.957 317 Q CA 0.040 55.859 55.803 0.027 0.000 0.923 317 Q CB 1.302 30.056 28.738 0.027 0.000 1.212 317 Q HN 0.604 nan 8.270 nan 0.000 0.443 318 L N 2.768 124.021 121.223 0.050 0.000 2.352 318 L HA 0.605 4.946 4.340 0.002 0.000 0.269 318 L C -0.125 176.806 176.870 0.101 0.000 1.034 318 L CA -0.800 54.034 54.840 -0.009 0.000 0.806 318 L CB 1.167 43.118 42.059 -0.181 0.000 1.244 318 L HN 0.557 nan 8.230 nan 0.000 0.447 319 K N -0.390 120.014 120.400 0.006 0.000 2.508 319 K HA 0.503 4.825 4.320 0.002 0.000 0.260 319 K C -1.045 175.530 176.600 -0.041 0.000 0.949 319 K CA -0.665 55.680 56.287 0.098 0.000 0.834 319 K CB 1.931 34.507 32.500 0.127 0.000 1.365 319 K HN 0.359 nan 8.250 nan 0.000 0.437 320 S N 0.577 116.291 115.700 0.024 0.000 2.528 320 S HA 0.067 4.538 4.470 0.002 0.000 0.277 320 S C 0.713 175.471 174.600 0.263 0.000 1.297 320 S CA -0.046 58.194 58.200 0.067 0.000 1.052 320 S CB 0.375 63.607 63.200 0.053 0.000 0.917 320 S HN 0.721 nan 8.310 nan 0.000 0.492 321 S N 3.775 119.586 115.700 0.184 0.000 2.497 321 S HA 0.369 4.840 4.470 0.002 0.000 0.218 321 S C 0.308 175.002 174.600 0.156 0.000 1.023 321 S CA -0.316 57.975 58.200 0.152 0.000 0.913 321 S CB -0.033 63.196 63.200 0.049 0.000 0.800 321 S HN 0.717 nan 8.310 nan 0.000 0.505 322 K N 0.418 120.948 120.400 0.217 0.000 2.583 322 K HA 0.466 4.787 4.320 0.002 0.000 0.260 322 K C -2.362 174.345 176.600 0.178 0.000 0.931 322 K CA -0.430 55.953 56.287 0.159 0.000 0.849 322 K CB 2.279 34.901 32.500 0.205 0.000 1.347 322 K HN 0.051 nan 8.250 nan 0.000 0.425 323 V N 3.761 123.703 119.914 0.047 0.000 2.483 323 V HA 0.503 4.625 4.120 0.002 0.000 0.297 323 V C -0.666 175.285 176.094 -0.239 0.000 1.027 323 V CA -0.796 61.482 62.300 -0.035 0.000 0.855 323 V CB 1.668 33.575 31.823 0.140 0.000 0.995 323 V HN 0.491 nan 8.190 nan 0.000 0.424 324 V N 3.748 123.305 119.914 -0.596 0.000 2.735 324 V HA 0.574 4.695 4.120 0.002 0.000 0.310 324 V C -1.056 174.858 176.094 -0.300 0.000 1.061 324 V CA -0.711 61.243 62.300 -0.578 0.000 0.913 324 V CB 2.197 33.414 31.823 -1.010 0.000 1.005 324 V HN 0.943 nan 8.190 nan 0.000 0.428 325 H N 3.290 122.275 119.070 -0.142 0.000 2.589 325 H HA 0.645 5.203 4.556 0.003 0.000 0.351 325 H C -0.827 174.558 175.328 0.094 0.000 1.074 325 H CA -0.721 55.341 56.048 0.024 0.000 1.203 325 H CB 1.625 31.461 29.762 0.123 0.000 1.558 325 H HN 0.645 nan 8.280 nan 0.000 0.522 326 K N 3.468 123.787 120.400 -0.136 0.000 2.378 326 K HA 0.824 5.145 4.320 0.002 0.000 0.252 326 K C -1.774 174.717 176.600 -0.181 0.000 0.931 326 K CA -0.803 55.393 56.287 -0.152 0.000 0.794 326 K CB 1.500 33.979 32.500 -0.035 0.000 1.181 326 K HN 0.688 nan 8.250 nan 0.000 0.425 327 A N 2.095 124.890 122.820 -0.042 0.000 2.572 327 A HA 0.678 4.999 4.320 0.002 0.000 0.295 327 A C -1.447 176.311 177.584 0.291 0.000 1.072 327 A CA -0.694 51.444 52.037 0.168 0.000 0.691 327 A CB 1.562 20.672 19.000 0.184 0.000 1.291 327 A HN 0.588 nan 8.150 nan 0.000 0.404 328 V N -0.686 119.403 119.914 0.292 0.000 2.841 328 V HA 0.911 5.032 4.120 0.002 0.000 0.310 328 V C -1.255 174.730 176.094 -0.182 0.000 1.090 328 V CA -0.797 61.539 62.300 0.060 0.000 0.930 328 V CB 1.393 33.238 31.823 0.036 0.000 1.014 328 V HN 1.573 nan 8.190 nan 0.000 0.425 329 L N 3.287 124.209 121.223 -0.502 0.000 2.410 329 L HA 0.733 5.075 4.340 0.002 0.000 0.270 329 L C -0.600 176.063 176.870 -0.344 0.000 0.983 329 L CA -0.012 54.406 54.840 -0.705 0.000 0.822 329 L CB 2.117 43.325 42.059 -1.418 0.000 1.285 329 L HN 0.930 nan 8.230 nan 0.000 0.409 330 Q N 5.301 124.965 119.800 -0.226 0.000 2.321 330 Q HA 0.650 4.992 4.340 0.002 0.000 0.270 330 Q C -1.550 174.414 176.000 -0.060 0.000 1.032 330 Q CA -0.581 55.151 55.803 -0.119 0.000 0.784 330 Q CB 2.718 31.407 28.738 -0.081 0.000 1.264 330 Q HN 0.621 nan 8.270 nan 0.000 0.448 331 L N 3.031 124.262 121.223 0.013 0.000 2.341 331 L HA 0.570 4.911 4.340 0.002 0.000 0.278 331 L C -0.456 176.473 176.870 0.098 0.000 1.005 331 L CA -0.737 54.182 54.840 0.131 0.000 0.818 331 L CB 1.260 43.463 42.059 0.239 0.000 1.259 331 L HN 0.747 nan 8.230 nan 0.000 0.418 332 N N 0.213 119.007 118.700 0.156 0.000 3.278 332 N HA 0.258 5.000 4.740 0.002 0.000 0.307 332 N C 0.069 175.754 175.510 0.292 0.000 1.551 332 N CA -0.859 52.269 53.050 0.130 0.000 0.794 332 N CB 0.668 39.197 38.487 0.070 0.000 1.770 332 N HN 0.292 nan 8.380 nan 0.000 0.612 333 E N -0.569 119.766 120.200 0.224 0.000 2.204 333 E HA -0.095 4.256 4.350 0.002 0.000 0.195 333 E C 0.584 177.507 176.600 0.537 0.000 0.990 333 E CA 1.382 57.996 56.400 0.358 0.000 0.821 333 E CB -0.050 29.778 29.700 0.214 0.000 0.750 333 E HN 0.617 nan 8.360 nan 0.000 0.477 334 E N -0.925 119.488 120.200 0.355 0.000 2.190 334 E HA 0.244 4.596 4.350 0.002 0.000 0.191 334 E C 0.849 177.498 176.600 0.081 0.000 0.978 334 E CA 0.762 57.318 56.400 0.260 0.000 0.839 334 E CB 0.654 30.415 29.700 0.102 0.000 0.787 334 E HN 0.220 nan 8.360 nan 0.000 0.473 335 G N -1.308 107.386 108.800 -0.177 0.000 2.441 335 G HA2 0.289 4.251 3.960 0.002 0.000 0.225 335 G HA3 0.289 4.251 3.960 0.002 0.000 0.225 335 G C -1.089 173.486 174.900 -0.541 0.000 1.200 335 G CA -0.423 44.160 45.100 -0.861 0.000 0.947 335 G HN -0.069 nan 8.290 nan 0.000 0.484 336 T N 1.112 115.357 114.554 -0.515 0.000 2.893 336 T HA 0.676 5.027 4.350 0.002 0.000 0.293 336 T C -1.263 173.220 174.700 -0.362 0.000 1.027 336 T CA -0.490 61.431 62.100 -0.298 0.000 0.988 336 T CB 2.103 70.879 68.868 -0.153 0.000 1.043 336 T HN 0.471 nan 8.240 nan 0.000 0.461 337 E N 0.987 121.034 120.200 -0.255 0.000 2.246 337 E HA 0.670 5.021 4.350 0.002 0.000 0.266 337 E C -1.125 175.325 176.600 -0.251 0.000 0.880 337 E CA -0.992 55.229 56.400 -0.297 0.000 0.762 337 E CB 2.291 31.887 29.700 -0.173 0.000 1.180 337 E HN 0.700 nan 8.360 nan 0.000 0.416 338 A N 1.840 124.477 122.820 -0.305 0.000 2.515 338 A HA 0.905 5.226 4.320 0.002 0.000 0.298 338 A C -1.452 176.060 177.584 -0.120 0.000 1.059 338 A CA -0.472 51.353 52.037 -0.354 0.000 0.698 338 A CB 1.892 20.336 19.000 -0.927 0.000 1.289 338 A HN 0.609 nan 8.150 nan 0.000 0.404 339 A N 0.312 123.213 122.820 0.136 0.000 2.549 339 A HA 0.950 5.271 4.320 0.002 0.000 0.297 339 A C -0.260 177.595 177.584 0.452 0.000 1.061 339 A CA -0.045 52.227 52.037 0.393 0.000 0.690 339 A CB 1.660 20.905 19.000 0.409 0.000 1.287 339 A HN 2.361 nan 8.150 nan 0.000 0.402 340 G N -0.720 108.373 108.800 0.490 0.000 2.718 340 G HA2 0.865 4.827 3.960 0.002 0.000 0.295 340 G HA3 0.865 4.827 3.960 0.002 0.000 0.295 340 G C -0.918 174.231 174.900 0.415 0.000 1.421 340 G CA 0.198 45.556 45.100 0.430 0.000 0.902 340 G HN 1.979 nan 8.290 nan 0.000 0.501 341 A N 1.499 124.540 122.820 0.369 0.000 2.515 341 A HA 0.859 5.181 4.320 0.002 0.000 0.298 341 A C -0.897 176.947 177.584 0.432 0.000 1.059 341 A CA -0.584 51.691 52.037 0.397 0.000 0.698 341 A CB 2.058 21.269 19.000 0.353 0.000 1.289 341 A HN 0.777 nan 8.150 nan 0.000 0.404 342 M N 2.245 122.057 119.600 0.353 0.000 2.464 342 M HA 0.679 5.161 4.480 0.002 0.000 0.308 342 M C -1.810 174.638 176.300 0.246 0.000 1.127 342 M CA -0.710 54.730 55.300 0.232 0.000 0.913 342 M CB 1.742 34.407 32.600 0.109 0.000 1.689 342 M HN 0.818 nan 8.290 nan 0.000 0.445 343 F N 3.272 123.298 119.950 0.127 0.000 2.563 343 F HA 0.798 5.326 4.527 0.002 0.000 0.316 343 F C -2.123 173.748 175.800 0.118 0.000 1.076 343 F CA -1.250 56.827 58.000 0.129 0.000 0.921 343 F CB 1.064 40.125 39.000 0.102 0.000 1.209 343 F HN 0.493 nan 8.300 nan 0.000 0.462 344 L N 3.119 124.588 121.223 0.410 0.000 2.343 344 L HA 0.527 4.869 4.340 0.002 0.000 0.278 344 L C -0.921 176.161 176.870 0.353 0.000 0.996 344 L CA -0.286 54.740 54.840 0.310 0.000 0.831 344 L CB 1.539 43.702 42.059 0.172 0.000 1.232 344 L HN 0.801 nan 8.230 nan 0.000 0.413 345 E N 3.737 124.160 120.200 0.371 0.000 2.249 345 E HA 0.646 4.997 4.350 0.002 0.000 0.280 345 E C -0.838 175.794 176.600 0.053 0.000 1.016 345 E CA -0.599 55.928 56.400 0.212 0.000 0.830 345 E CB 1.835 31.674 29.700 0.232 0.000 1.081 345 E HN 0.684 nan 8.360 nan 0.000 0.395 346 A N 3.370 126.152 122.820 -0.064 0.000 2.365 346 A HA 0.751 5.073 4.320 0.002 0.000 0.318 346 A C -0.609 176.890 177.584 -0.142 0.000 1.091 346 A CA -0.687 51.259 52.037 -0.153 0.000 0.763 346 A CB 0.615 19.435 19.000 -0.299 0.000 1.248 346 A HN 0.635 nan 8.150 nan 0.000 0.442 347 I N -1.298 119.202 120.570 -0.116 0.000 3.074 347 I HA 0.722 4.893 4.170 0.002 0.000 0.310 347 I C -3.001 173.078 176.117 -0.064 0.000 1.153 347 I CA -3.090 58.153 61.300 -0.095 0.000 0.993 347 I CB 2.274 40.222 38.000 -0.087 0.000 1.237 347 I HN 0.250 nan 8.210 nan 0.000 0.443 348 P HA 0.144 nan 4.420 nan 0.000 0.269 348 P C -1.083 176.212 177.300 -0.009 0.000 1.209 348 P CA -0.205 62.881 63.100 -0.023 0.000 0.776 348 P CB 0.515 32.204 31.700 -0.017 0.000 0.876 352 P HA 0.323 nan 4.420 nan 0.000 0.276 352 P C -0.623 176.618 177.300 -0.098 0.000 1.235 352 P CA -0.206 62.846 63.100 -0.080 0.000 0.772 352 P CB 0.342 32.004 31.700 -0.063 0.000 0.871 353 I N 3.710 124.180 120.570 -0.167 0.000 2.396 353 I HA 0.143 4.315 4.170 0.002 0.000 0.289 353 I C 0.657 176.682 176.117 -0.155 0.000 1.056 353 I CA -0.301 60.871 61.300 -0.215 0.000 1.365 353 I CB 0.130 37.846 38.000 -0.473 0.000 1.407 353 I HN 0.199 nan 8.210 nan 0.000 0.509 354 I N 7.348 127.873 120.570 -0.075 0.000 2.452 354 I HA 0.124 4.295 4.170 0.002 0.000 0.287 354 I C -0.356 175.746 176.117 -0.024 0.000 1.079 354 I CA -0.113 61.193 61.300 0.008 0.000 1.387 354 I CB 0.747 38.766 38.000 0.032 0.000 1.404 354 I HN 0.390 nan 8.210 nan 0.000 0.522 355 L N 8.256 129.498 121.223 0.032 0.000 2.372 355 L HA 0.470 4.811 4.340 0.002 0.000 0.273 355 L C -0.539 176.342 176.870 0.019 0.000 0.989 355 L CA -0.245 54.578 54.840 -0.028 0.000 0.841 355 L CB 1.125 43.196 42.059 0.019 0.000 1.225 355 L HN 0.510 nan 8.230 nan 0.000 0.414 356 R N 4.438 124.847 120.500 -0.153 0.000 2.337 356 R HA 0.382 4.723 4.340 0.002 0.000 0.319 356 R C -1.213 174.933 176.300 -0.257 0.000 0.954 356 R CA -0.513 55.527 56.100 -0.100 0.000 0.840 356 R CB 0.627 30.802 30.300 -0.208 0.000 1.164 356 R HN 0.553 nan 8.270 nan 0.000 0.472 357 F N 4.757 124.611 119.950 -0.160 0.000 2.640 357 F HA 0.119 4.647 4.527 0.002 0.000 0.354 357 F C 0.910 176.602 175.800 -0.180 0.000 1.213 357 F CA -0.380 57.435 58.000 -0.309 0.000 1.314 357 F CB 0.210 38.781 39.000 -0.716 0.000 1.679 357 F HN 0.484 nan 8.300 nan 0.000 0.622 358 N N 1.389 120.012 118.700 -0.129 0.000 2.389 358 N HA 0.106 4.847 4.740 0.002 0.000 0.260 358 N C -0.517 174.482 175.510 -0.852 0.000 1.191 358 N CA -0.266 52.605 53.050 -0.298 0.000 0.885 358 N CB 0.076 38.506 38.487 -0.096 0.000 1.162 358 N HN 0.632 nan 8.380 nan 0.000 0.512 359 Q N -2.730 116.476 119.800 -0.990 0.000 2.874 359 Q HA 0.439 4.781 4.340 0.002 0.000 0.303 359 Q C -3.386 172.605 176.000 -0.015 0.000 0.876 359 Q CA -1.679 53.674 55.803 -0.750 0.000 0.765 359 Q CB 0.284 28.891 28.738 -0.219 0.000 1.478 359 Q HN -0.159 nan 8.270 nan 0.000 0.434 360 P HA 0.047 nan 4.420 nan 0.000 0.262 360 P C -1.218 176.383 177.300 0.502 0.000 1.182 360 P CA 0.587 63.948 63.100 0.434 0.000 0.761 360 P CB -0.055 31.806 31.700 0.269 0.000 0.795 361 F N 1.671 121.849 119.950 0.380 0.000 2.726 361 F HA 0.746 5.275 4.527 0.002 0.000 0.324 361 F C -1.274 174.763 175.800 0.395 0.000 1.140 361 F CA -1.607 56.643 58.000 0.417 0.000 0.964 361 F CB 0.767 40.158 39.000 0.651 0.000 1.399 361 F HN -0.004 nan 8.300 nan 0.000 0.491 362 I N 1.986 122.876 120.570 0.532 0.000 2.474 362 I HA 0.514 4.686 4.170 0.002 0.000 0.294 362 I C -0.960 175.386 176.117 0.381 0.000 1.005 362 I CA -0.721 60.792 61.300 0.356 0.000 1.113 362 I CB 2.091 40.309 38.000 0.364 0.000 1.289 362 I HN 0.459 nan 8.210 nan 0.000 0.436 363 I N 6.266 126.965 120.570 0.215 0.000 2.465 363 I HA 0.461 4.632 4.170 0.002 0.000 0.291 363 I C -0.766 175.405 176.117 0.091 0.000 1.014 363 I CA -0.516 60.853 61.300 0.116 0.000 1.093 363 I CB 1.771 39.843 38.000 0.120 0.000 1.267 363 I HN 0.376 nan 8.210 nan 0.000 0.431 364 M N 7.291 126.968 119.600 0.127 0.000 2.093 364 M HA 0.536 5.018 4.480 0.002 0.000 0.297 364 M C -0.945 175.438 176.300 0.139 0.000 0.938 364 M CA -0.372 54.995 55.300 0.111 0.000 0.920 364 M CB 2.129 34.937 32.600 0.348 0.000 1.517 364 M HN 0.368 nan 8.290 nan 0.000 0.427 365 I N 3.378 123.915 120.570 -0.055 0.000 2.321 365 I HA 0.482 4.653 4.170 0.002 0.000 0.291 365 I C -1.004 174.977 176.117 -0.226 0.000 0.998 365 I CA -0.333 60.975 61.300 0.014 0.000 1.227 365 I CB 0.809 38.842 38.000 0.055 0.000 1.368 365 I HN 0.532 nan 8.210 nan 0.000 0.466 366 F N 3.076 123.082 119.950 0.094 0.000 2.538 366 F HA 0.290 4.818 4.527 0.002 0.000 0.325 366 F C 0.270 176.012 175.800 -0.097 0.000 1.066 366 F CA -0.831 57.174 58.000 0.009 0.000 0.946 366 F CB 1.443 40.507 39.000 0.107 0.000 1.199 366 F HN 0.373 nan 8.300 nan 0.000 0.473 367 D N 0.834 121.280 120.400 0.077 0.000 2.317 367 D HA 0.019 4.660 4.640 0.002 0.000 0.252 367 D C 0.784 176.972 176.300 -0.186 0.000 1.174 367 D CA 0.360 54.389 54.000 0.049 0.000 0.866 367 D CB 0.477 41.393 40.800 0.193 0.000 1.127 367 D HN 0.561 nan 8.370 nan 0.000 0.467 368 H N 4.063 122.926 119.070 -0.346 0.000 2.547 368 H HA -0.084 4.473 4.556 0.003 0.000 0.272 368 H C 0.901 175.956 175.328 -0.455 0.000 0.989 368 H CA 0.463 56.050 56.048 -0.769 0.000 1.214 368 H CB 0.242 29.788 29.762 -0.361 0.000 1.389 368 H HN 0.552 nan 8.280 nan 0.000 0.577 369 F N 1.413 121.239 119.950 -0.207 0.000 2.147 369 F HA -0.092 4.436 4.527 0.002 0.000 0.291 369 F C 2.562 178.329 175.800 -0.055 0.000 1.093 369 F CA 1.962 59.918 58.000 -0.073 0.000 1.263 369 F CB -0.556 38.463 39.000 0.032 0.000 1.036 369 F HN 0.103 nan 8.300 nan 0.000 0.481 370 T N -5.151 109.322 114.554 -0.134 0.000 3.057 370 T HA -0.062 4.290 4.350 0.002 0.000 0.254 370 T C 0.585 175.338 174.700 0.089 0.000 1.094 370 T CA 0.407 62.419 62.100 -0.147 0.000 1.088 370 T CB -0.992 67.874 68.868 -0.004 0.000 0.934 370 T HN 0.487 nan 8.240 nan 0.000 0.497 371 W N 2.201 123.526 121.300 0.042 0.000 4.849 371 W HA -0.220 4.441 4.660 0.001 0.000 0.358 371 W C -0.168 176.480 176.519 0.214 0.000 1.331 371 W CA 0.031 57.432 57.345 0.093 0.000 0.844 371 W CB -2.417 27.000 29.460 -0.073 0.000 2.434 371 W HN 0.190 nan 8.180 nan 0.000 1.458 372 S N 0.227 116.136 115.700 0.348 0.000 2.564 372 S HA 0.270 4.741 4.470 0.002 0.000 0.278 372 S C 0.544 175.257 174.600 0.188 0.000 1.333 372 S CA -0.387 57.971 58.200 0.262 0.000 1.048 372 S CB 1.566 64.942 63.200 0.294 0.000 0.900 372 S HN 0.189 nan 8.310 nan 0.000 0.505 373 S N 3.253 118.933 115.700 -0.033 0.000 2.416 373 S HA 0.242 4.713 4.470 0.002 0.000 0.302 373 S C 1.046 175.360 174.600 -0.477 0.000 1.120 373 S CA -0.738 57.165 58.200 -0.496 0.000 1.067 373 S CB -0.570 62.312 63.200 -0.530 0.000 1.057 373 S HN 0.620 nan 8.310 nan 0.000 0.518 374 L N 4.325 125.204 121.223 -0.574 0.000 2.049 374 L HA 0.281 4.622 4.340 0.002 0.000 0.203 374 L C -0.150 176.051 176.870 -1.114 0.000 1.074 374 L CA 0.790 55.154 54.840 -0.793 0.000 0.749 374 L CB -0.097 41.507 42.059 -0.760 0.000 0.907 374 L HN 0.537 nan 8.230 nan 0.000 0.439 375 F N -1.040 118.653 119.950 -0.428 0.000 2.601 375 F HA 0.581 5.110 4.527 0.003 0.000 0.309 375 F C -0.616 174.939 175.800 -0.408 0.000 1.089 375 F CA -0.630 57.110 58.000 -0.434 0.000 0.940 375 F CB 1.899 40.700 39.000 -0.330 0.000 1.273 375 F HN -0.314 nan 8.300 nan 0.000 0.450 376 L N 2.371 123.443 121.223 -0.253 0.000 2.410 376 L HA 0.863 5.204 4.340 0.002 0.000 0.270 376 L C -0.832 176.022 176.870 -0.027 0.000 0.983 376 L CA -0.888 53.815 54.840 -0.229 0.000 0.822 376 L CB 2.059 43.846 42.059 -0.454 0.000 1.285 376 L HN 0.773 nan 8.230 nan 0.000 0.409 377 A N 3.198 126.114 122.820 0.159 0.000 2.365 377 A HA 0.747 5.068 4.320 0.002 0.000 0.318 377 A C -0.805 176.992 177.584 0.356 0.000 1.091 377 A CA -0.636 51.622 52.037 0.369 0.000 0.763 377 A CB 1.623 20.856 19.000 0.388 0.000 1.248 377 A HN 0.765 nan 8.150 nan 0.000 0.442 378 R N 2.742 123.449 120.500 0.345 0.000 2.310 378 R HA 0.481 4.822 4.340 0.002 0.000 0.316 378 R C -1.576 174.760 176.300 0.061 0.000 1.004 378 R CA -0.287 55.931 56.100 0.197 0.000 0.900 378 R CB 0.840 31.234 30.300 0.157 0.000 1.152 378 R HN 0.494 nan 8.270 nan 0.000 0.513 379 V N 6.818 126.654 119.914 -0.130 0.000 2.387 379 V HA 0.060 4.182 4.120 0.002 0.000 0.260 379 V C 1.190 177.296 176.094 0.019 0.000 1.054 379 V CA -0.111 62.074 62.300 -0.190 0.000 0.967 379 V CB 1.153 32.605 31.823 -0.619 0.000 1.036 379 V HN 0.821 nan 8.190 nan 0.000 0.481 380 M N 2.229 121.876 119.600 0.078 0.000 2.466 380 M HA 0.207 4.688 4.480 0.002 0.000 0.265 380 M C 0.702 177.113 176.300 0.185 0.000 1.122 380 M CA 0.814 56.222 55.300 0.181 0.000 1.157 380 M CB -0.372 32.303 32.600 0.126 0.000 1.352 380 M HN 0.657 nan 8.290 nan 0.000 0.464 381 N N 0.795 119.471 118.700 -0.040 0.000 2.549 381 N HA 0.239 4.981 4.740 0.002 0.000 0.290 381 N C -2.465 172.843 175.510 -0.338 0.000 1.122 381 N CA -1.177 51.739 53.050 -0.223 0.000 0.885 381 N CB 2.402 40.848 38.487 -0.069 0.000 1.455 381 N HN -0.132 nan 8.380 nan 0.000 0.521 382 P HA 0.032 nan 4.420 nan 0.000 0.241 382 P C 0.301 177.467 177.300 -0.224 0.000 1.191 382 P CA 0.326 63.195 63.100 -0.385 0.000 0.771 382 P CB 0.756 32.164 31.700 -0.486 0.000 0.929 383 V N 0.000 119.790 119.914 -0.206 0.000 2.409 383 V HA 0.000 4.121 4.120 0.002 0.000 0.244 383 V CA 0.000 62.226 62.300 -0.123 0.000 1.235 383 V CB 0.000 31.763 31.823 -0.100 0.000 1.184 383 V HN 0.000 nan 8.190 nan 0.000 0.556