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 2vdy_1_A DATA FIRST_RESID 16 DATA SEQUENCE GLASANVDFA FSLYKHLVAL SPKKNIFISP VSISMALAML SLGTCGHTRA DATA SEQUENCE QLLQGLGFNL XXXSETEIHQ GFQHLHQLFA KSDTSLEMTM GNALFLDGSL DATA SEQUENCE ELLESFSADI KHYYESEVLA MNFQDWATAS RQINSYVKNK TQGKIVDLFX DATA SEQUENCE XXDSPAILVL 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 3.958 3.960 -0.003 0.000 0.244 16 G C 0.000 174.948 174.900 0.080 0.000 0.946 16 G CA 0.000 45.124 45.100 0.041 0.000 0.502 17 L N 1.190 122.426 121.223 0.021 0.000 2.027 17 L HA 0.173 4.511 4.340 -0.003 0.000 0.206 17 L C 3.090 180.008 176.870 0.081 0.000 1.074 17 L CA 3.132 57.995 54.840 0.038 0.000 0.745 17 L CB -0.410 41.539 42.059 -0.183 0.000 0.898 17 L HN 0.840 nan 8.230 nan 0.000 0.433 18 A N -1.828 121.038 122.820 0.076 0.000 1.940 18 A HA -0.245 4.073 4.320 -0.003 0.000 0.219 18 A C 2.524 180.219 177.584 0.184 0.000 1.176 18 A CA 2.043 54.181 52.037 0.168 0.000 0.631 18 A CB -0.986 18.182 19.000 0.281 0.000 0.814 18 A HN 0.500 nan 8.150 nan 0.000 0.446 19 S N -0.708 115.084 115.700 0.153 0.000 2.371 19 S HA 0.064 4.532 4.470 -0.003 0.000 0.224 19 S C 2.176 176.825 174.600 0.082 0.000 1.029 19 S CA 1.375 59.638 58.200 0.105 0.000 0.978 19 S CB -0.433 62.817 63.200 0.084 0.000 0.833 19 S HN 0.781 nan 8.310 nan 0.000 0.466 20 A N 1.838 124.713 122.820 0.093 0.000 1.898 20 A HA -0.048 4.270 4.320 -0.003 0.000 0.216 20 A C 2.006 179.594 177.584 0.008 0.000 1.181 20 A CA 1.654 53.712 52.037 0.035 0.000 0.620 20 A CB -0.871 18.168 19.000 0.064 0.000 0.819 20 A HN 0.579 nan 8.150 nan 0.000 0.442 21 N N -0.190 118.556 118.700 0.077 0.000 2.120 21 N HA -0.114 4.624 4.740 -0.003 0.000 0.188 21 N C 1.639 177.188 175.510 0.065 0.000 1.024 21 N CA 1.430 54.535 53.050 0.093 0.000 0.852 21 N CB -0.533 38.029 38.487 0.125 0.000 1.003 21 N HN 0.246 nan 8.380 nan 0.000 0.424 22 V N 1.124 121.051 119.914 0.022 0.000 2.548 22 V HA -0.128 3.990 4.120 -0.003 0.000 0.249 22 V C 1.061 177.031 176.094 -0.207 0.000 1.055 22 V CA 1.597 63.817 62.300 -0.134 0.000 1.065 22 V CB -0.264 31.543 31.823 -0.026 0.000 0.681 22 V HN 0.126 nan 8.190 nan 0.000 0.462 23 D N -0.476 119.923 120.400 -0.002 0.000 2.178 23 D HA -0.148 4.490 4.640 -0.003 0.000 0.202 23 D C 1.765 178.108 176.300 0.073 0.000 0.974 23 D CA 1.297 55.342 54.000 0.074 0.000 0.841 23 D CB -0.217 40.629 40.800 0.075 0.000 0.953 23 D HN 0.568 nan 8.370 nan 0.000 0.478 24 F N 1.553 121.450 119.950 -0.088 0.000 2.206 24 F HA -0.043 4.483 4.527 -0.003 0.000 0.298 24 F C 2.159 177.911 175.800 -0.081 0.000 1.090 24 F CA 1.198 59.148 58.000 -0.083 0.000 1.323 24 F CB -0.119 38.805 39.000 -0.127 0.000 1.028 24 F HN -0.074 nan 8.300 nan 0.000 0.492 25 A N 0.422 123.188 122.820 -0.090 0.000 1.865 25 A HA -0.197 4.121 4.320 -0.003 0.000 0.217 25 A C 2.030 179.482 177.584 -0.219 0.000 1.191 25 A CA 2.011 53.895 52.037 -0.256 0.000 0.623 25 A CB -1.478 17.261 19.000 -0.435 0.000 0.826 25 A HN 0.404 nan 8.150 nan 0.000 0.444 26 F N -0.030 119.885 119.950 -0.057 0.000 2.186 26 F HA -0.049 4.476 4.527 -0.003 0.000 0.299 26 F C 2.945 178.724 175.800 -0.035 0.000 1.090 26 F CA 0.991 58.968 58.000 -0.039 0.000 1.307 26 F CB -0.978 37.994 39.000 -0.047 0.000 1.019 26 F HN 0.259 nan 8.300 nan 0.000 0.489 27 S N 0.172 115.918 115.700 0.076 0.000 2.368 27 S HA -0.147 4.321 4.470 -0.003 0.000 0.224 27 S C 2.157 176.748 174.600 -0.016 0.000 1.029 27 S CA 0.939 59.134 58.200 -0.007 0.000 0.988 27 S CB -0.541 62.668 63.200 0.014 0.000 0.838 27 S HN 0.308 nan 8.310 nan 0.000 0.462 28 L N 0.466 121.565 121.223 -0.206 0.000 2.046 28 L HA -0.019 4.319 4.340 -0.003 0.000 0.208 28 L C 2.106 178.930 176.870 -0.076 0.000 1.077 28 L CA 2.078 56.768 54.840 -0.251 0.000 0.747 28 L CB -0.868 40.843 42.059 -0.581 0.000 0.896 28 L HN 0.500 nan 8.230 nan 0.000 0.432 29 Y N 0.593 120.805 120.300 -0.147 0.000 2.097 29 Y HA -0.316 4.232 4.550 -0.003 0.000 0.282 29 Y C 2.493 178.352 175.900 -0.068 0.000 1.152 29 Y CA 2.303 60.351 58.100 -0.087 0.000 1.136 29 Y CB -0.205 38.253 38.460 -0.004 0.000 0.975 29 Y HN 0.151 nan 8.280 nan 0.000 0.498 30 K N -1.024 119.384 120.400 0.014 0.000 2.032 30 K HA -0.239 4.079 4.320 -0.003 0.000 0.209 30 K C 1.887 178.363 176.600 -0.207 0.000 1.048 30 K CA 2.112 58.319 56.287 -0.134 0.000 0.927 30 K CB -0.442 31.961 32.500 -0.161 0.000 0.712 30 K HN 0.518 nan 8.250 nan 0.000 0.441 31 H N -0.215 118.799 119.070 -0.094 0.000 2.389 31 H HA -0.100 4.454 4.556 -0.004 0.000 0.299 31 H C 1.868 177.127 175.328 -0.114 0.000 1.081 31 H CA 1.111 57.103 56.048 -0.093 0.000 1.345 31 H CB 0.112 29.821 29.762 -0.089 0.000 1.393 31 H HN 0.014 nan 8.280 nan 0.000 0.520 32 L N 0.124 121.319 121.223 -0.046 0.000 2.056 32 L HA -0.110 4.227 4.340 -0.003 0.000 0.207 32 L C 2.118 178.897 176.870 -0.152 0.000 1.078 32 L CA 1.052 55.823 54.840 -0.114 0.000 0.749 32 L CB -0.486 41.453 42.059 -0.200 0.000 0.901 32 L HN 0.089 nan 8.230 nan 0.000 0.433 33 V N 0.159 119.920 119.914 -0.254 0.000 2.324 33 V HA -0.347 3.771 4.120 -0.003 0.000 0.250 33 V C 2.758 178.783 176.094 -0.116 0.000 1.060 33 V CA 1.826 63.983 62.300 -0.240 0.000 1.042 33 V CB -1.275 30.338 31.823 -0.350 0.000 0.650 33 V HN 0.608 nan 8.190 nan 0.000 0.450 34 A N -0.945 121.822 122.820 -0.088 0.000 1.968 34 A HA -0.070 4.248 4.320 -0.003 0.000 0.217 34 A C 2.175 179.749 177.584 -0.016 0.000 1.169 34 A CA 1.419 53.431 52.037 -0.041 0.000 0.638 34 A CB -0.385 18.598 19.000 -0.028 0.000 0.812 34 A HN 0.512 nan 8.150 nan 0.000 0.446 35 L N -0.048 121.167 121.223 -0.013 0.000 2.109 35 L HA -0.023 4.315 4.340 -0.003 0.000 0.207 35 L C 0.777 177.650 176.870 0.005 0.000 1.086 35 L CA 1.216 56.056 54.840 -0.000 0.000 0.760 35 L CB -0.020 42.041 42.059 0.003 0.000 0.910 35 L HN 0.473 nan 8.230 nan 0.000 0.437 36 S N -2.052 113.649 115.700 0.001 0.000 2.539 36 S HA 0.376 4.844 4.470 -0.003 0.000 0.235 36 S C -2.242 172.363 174.600 0.009 0.000 1.326 36 S CA -1.108 57.103 58.200 0.020 0.000 1.183 36 S CB 1.151 64.385 63.200 0.056 0.000 1.073 36 S HN -0.128 nan 8.310 nan 0.000 0.480 37 P HA 0.202 nan 4.420 nan 0.000 0.240 37 P C 0.739 178.055 177.300 0.026 0.000 1.190 37 P CA 0.418 63.521 63.100 0.005 0.000 0.781 37 P CB 0.224 31.928 31.700 0.007 0.000 0.931 38 K N -0.972 119.451 120.400 0.037 0.000 2.399 38 K HA 0.109 4.427 4.320 -0.003 0.000 0.196 38 K C 0.913 177.550 176.600 0.063 0.000 1.103 38 K CA -0.136 56.181 56.287 0.051 0.000 0.986 38 K CB 0.481 33.009 32.500 0.048 0.000 0.952 38 K HN 0.035 nan 8.250 nan 0.000 0.541 39 K N 2.102 122.542 120.400 0.067 0.000 2.355 39 K HA 0.030 4.348 4.320 -0.003 0.000 0.270 39 K C -0.246 176.419 176.600 0.108 0.000 1.003 39 K CA -0.131 56.210 56.287 0.091 0.000 0.957 39 K CB 0.483 33.057 32.500 0.123 0.000 0.939 39 K HN -0.081 nan 8.250 nan 0.000 0.482 40 N N 3.049 121.819 118.700 0.116 0.000 2.454 40 N HA 0.044 4.782 4.740 -0.003 0.000 0.260 40 N C -0.504 175.153 175.510 0.245 0.000 1.218 40 N CA 0.402 53.535 53.050 0.138 0.000 0.904 40 N CB 0.291 38.839 38.487 0.102 0.000 1.065 40 N HN 0.404 nan 8.380 nan 0.000 0.462 41 I N 3.140 123.836 120.570 0.211 0.000 2.354 41 I HA 0.276 4.444 4.170 -0.003 0.000 0.286 41 I C -0.793 175.518 176.117 0.323 0.000 1.007 41 I CA -0.634 60.785 61.300 0.198 0.000 1.167 41 I CB 0.688 38.664 38.000 -0.040 0.000 1.320 41 I HN 0.280 nan 8.210 nan 0.000 0.458 42 F N 9.145 129.244 119.950 0.249 0.000 2.579 42 F HA 0.665 5.190 4.527 -0.003 0.000 0.325 42 F C -0.724 175.264 175.800 0.313 0.000 1.162 42 F CA -0.720 57.428 58.000 0.246 0.000 0.946 42 F CB 1.035 40.160 39.000 0.208 0.000 1.211 42 F HN 0.269 nan 8.300 nan 0.000 0.447 43 I N 1.442 121.846 120.570 -0.276 0.000 3.074 43 I HA 0.675 4.843 4.170 -0.003 0.000 0.310 43 I C -1.177 174.854 176.117 -0.144 0.000 1.153 43 I CA -0.973 60.315 61.300 -0.020 0.000 0.993 43 I CB 2.256 40.222 38.000 -0.057 0.000 1.237 43 I HN 0.397 nan 8.210 nan 0.000 0.443 44 S N 3.333 119.057 115.700 0.040 0.000 2.516 44 S HA 0.519 4.987 4.470 -0.003 0.000 0.268 44 S C -1.986 172.433 174.600 -0.302 0.000 1.251 44 S CA -1.490 56.535 58.200 -0.291 0.000 1.153 44 S CB 0.730 63.766 63.200 -0.274 0.000 1.009 44 S HN 0.555 nan 8.310 nan 0.000 0.479 45 P HA -0.116 nan 4.420 nan 0.000 0.215 45 P C 1.632 178.900 177.300 -0.052 0.000 1.153 45 P CA 0.578 63.595 63.100 -0.139 0.000 0.853 45 P CB 0.096 31.698 31.700 -0.163 0.000 0.788 46 V N -0.312 119.534 119.914 -0.114 0.000 2.407 46 V HA -0.257 3.861 4.120 -0.003 0.000 0.248 46 V C 2.501 178.628 176.094 0.055 0.000 1.055 46 V CA 2.657 64.975 62.300 0.029 0.000 1.049 46 V CB -1.259 30.578 31.823 0.023 0.000 0.662 46 V HN 0.180 nan 8.190 nan 0.000 0.455 47 S N -0.428 115.244 115.700 -0.047 0.000 2.359 47 S HA -0.191 4.277 4.470 -0.003 0.000 0.224 47 S C 1.835 176.423 174.600 -0.021 0.000 1.035 47 S CA 2.204 60.405 58.200 0.001 0.000 1.018 47 S CB -0.538 62.688 63.200 0.043 0.000 0.876 47 S HN 0.628 nan 8.310 nan 0.000 0.448 48 I N 1.084 121.606 120.570 -0.081 0.000 2.252 48 I HA -0.109 4.059 4.170 -0.003 0.000 0.245 48 I C 2.705 178.790 176.117 -0.053 0.000 1.102 48 I CA 1.203 62.473 61.300 -0.049 0.000 1.385 48 I CB -0.418 37.574 38.000 -0.014 0.000 1.064 48 I HN 0.262 nan 8.210 nan 0.000 0.414 49 S N 0.294 115.966 115.700 -0.046 0.000 2.368 49 S HA -0.180 4.288 4.470 -0.003 0.000 0.224 49 S C 2.010 176.416 174.600 -0.324 0.000 1.029 49 S CA 1.437 59.545 58.200 -0.153 0.000 0.988 49 S CB -0.275 62.982 63.200 0.094 0.000 0.838 49 S HN 0.412 nan 8.310 nan 0.000 0.462 50 M N 1.170 120.594 119.600 -0.294 0.000 2.175 50 M HA -0.062 4.416 4.480 -0.003 0.000 0.264 50 M C 2.095 178.166 176.300 -0.383 0.000 1.063 50 M CA 1.402 56.370 55.300 -0.553 0.000 1.119 50 M CB -0.297 32.276 32.600 -0.044 0.000 1.377 50 M HN 0.361 nan 8.290 nan 0.000 0.415 51 A N 0.539 123.236 122.820 -0.206 0.000 1.873 51 A HA -0.102 4.216 4.320 -0.003 0.000 0.215 51 A C 1.958 179.423 177.584 -0.198 0.000 1.186 51 A CA 1.313 53.256 52.037 -0.156 0.000 0.616 51 A CB -0.898 18.087 19.000 -0.025 0.000 0.823 51 A HN 0.570 nan 8.150 nan 0.000 0.442 52 L N -0.914 120.200 121.223 -0.181 0.000 2.217 52 L HA -0.095 4.243 4.340 -0.003 0.000 0.211 52 L C 2.968 179.735 176.870 -0.172 0.000 1.107 52 L CA 0.771 55.520 54.840 -0.152 0.000 0.783 52 L CB -0.361 41.621 42.059 -0.129 0.000 0.919 52 L HN 0.437 nan 8.230 nan 0.000 0.442 53 A N -0.494 122.178 122.820 -0.248 0.000 1.968 53 A HA -0.211 4.107 4.320 -0.003 0.000 0.217 53 A C 2.306 179.787 177.584 -0.172 0.000 1.169 53 A CA 1.318 53.261 52.037 -0.157 0.000 0.638 53 A CB -0.378 18.439 19.000 -0.306 0.000 0.812 53 A HN 0.366 nan 8.150 nan 0.000 0.446 54 M N -0.959 118.302 119.600 -0.564 0.000 2.175 54 M HA -0.087 4.391 4.480 -0.003 0.000 0.264 54 M C 2.038 178.131 176.300 -0.346 0.000 1.063 54 M CA 1.575 56.365 55.300 -0.849 0.000 1.119 54 M CB -0.159 31.780 32.600 -1.101 0.000 1.377 54 M HN 0.438 nan 8.290 nan 0.000 0.415 55 L N 0.221 121.305 121.223 -0.232 0.000 2.046 55 L HA -0.180 4.157 4.340 -0.003 0.000 0.208 55 L C 2.543 179.310 176.870 -0.171 0.000 1.077 55 L CA 2.293 57.029 54.840 -0.173 0.000 0.747 55 L CB -0.681 41.272 42.059 -0.175 0.000 0.896 55 L HN 0.493 nan 8.230 nan 0.000 0.432 56 S N -0.983 114.657 115.700 -0.101 0.000 2.419 56 S HA -0.227 4.241 4.470 -0.003 0.000 0.235 56 S C 2.045 176.645 174.600 -0.000 0.000 1.019 56 S CA 1.474 59.650 58.200 -0.040 0.000 0.982 56 S CB -1.066 62.159 63.200 0.042 0.000 0.789 56 S HN 0.537 nan 8.310 nan 0.000 0.490 57 L N 0.908 122.142 121.223 0.019 0.000 2.265 57 L HA 0.014 4.352 4.340 -0.003 0.000 0.215 57 L C 2.505 179.466 176.870 0.152 0.000 1.117 57 L CA 1.131 55.996 54.840 0.040 0.000 0.782 57 L CB -0.593 41.410 42.059 -0.092 0.000 0.914 57 L HN 0.598 nan 8.230 nan 0.000 0.441 58 G N -1.513 107.304 108.800 0.028 0.000 3.233 58 G HA2 0.045 4.003 3.960 -0.003 0.000 0.234 58 G HA3 0.045 4.003 3.960 -0.003 0.000 0.234 58 G C 0.510 175.198 174.900 -0.352 0.000 1.137 58 G CA 0.418 45.316 45.100 -0.336 0.000 0.763 58 G HN 0.324 nan 8.290 nan 0.000 0.549 59 T N -2.834 111.585 114.554 -0.225 0.000 2.925 59 T HA 0.665 5.013 4.350 -0.003 0.000 0.285 59 T C -0.577 174.104 174.700 -0.032 0.000 1.021 59 T CA -0.868 61.151 62.100 -0.134 0.000 1.042 59 T CB 2.332 71.132 68.868 -0.114 0.000 1.037 59 T HN -0.046 nan 8.240 nan 0.000 0.481 60 C N 0.358 119.668 119.300 0.017 0.000 3.285 60 C HA 0.948 5.406 4.460 -0.003 0.000 0.320 60 C C 1.421 176.440 174.990 0.048 0.000 1.411 60 C CA 0.733 59.767 59.018 0.026 0.000 1.429 60 C CB 1.042 28.795 27.740 0.021 0.000 1.812 60 C HN 1.568 nan 8.230 nan 0.000 0.454 61 G N 1.002 109.828 108.800 0.043 0.000 2.566 61 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.280 61 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.280 61 G C 0.916 175.861 174.900 0.075 0.000 1.225 61 G CA 0.973 46.111 45.100 0.063 0.000 0.966 61 G HN 1.034 nan 8.290 nan 0.000 0.560 62 H N 1.102 120.186 119.070 0.024 0.000 2.423 62 H HA -0.056 4.498 4.556 -0.003 0.000 0.297 62 H C 2.902 178.247 175.328 0.030 0.000 1.075 62 H CA 2.360 58.422 56.048 0.024 0.000 1.342 62 H CB -0.371 29.403 29.762 0.019 0.000 1.395 62 H HN 0.490 nan 8.280 nan 0.000 0.530 63 T N 0.760 115.416 114.554 0.169 0.000 2.746 63 T HA -0.120 4.228 4.350 -0.003 0.000 0.267 63 T C 2.153 176.889 174.700 0.060 0.000 1.039 63 T CA 0.997 63.175 62.100 0.130 0.000 1.142 63 T CB 0.033 68.996 68.868 0.159 0.000 0.866 63 T HN 0.325 nan 8.240 nan 0.000 0.444 64 R N 1.013 121.536 120.500 0.038 0.000 2.070 64 R HA -0.052 4.286 4.340 -0.003 0.000 0.233 64 R C 2.687 178.983 176.300 -0.007 0.000 1.137 64 R CA 1.596 57.703 56.100 0.012 0.000 0.945 64 R CB -0.616 29.692 30.300 0.012 0.000 0.845 64 R HN 0.379 nan 8.270 nan 0.000 0.430 65 A N 0.769 123.562 122.820 -0.045 0.000 1.908 65 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 65 A C 2.097 179.628 177.584 -0.089 0.000 1.181 65 A CA 1.597 53.587 52.037 -0.078 0.000 0.627 65 A CB -0.604 18.312 19.000 -0.140 0.000 0.818 65 A HN 0.552 nan 8.150 nan 0.000 0.445 66 Q N -1.204 118.524 119.800 -0.121 0.000 2.119 66 Q HA -0.129 4.209 4.340 -0.003 0.000 0.201 66 Q C 2.001 177.997 176.000 -0.006 0.000 0.972 66 Q CA 1.399 57.160 55.803 -0.070 0.000 0.847 66 Q CB -0.150 28.576 28.738 -0.020 0.000 0.903 66 Q HN 0.568 nan 8.270 nan 0.000 0.433 67 L N 0.447 121.672 121.223 0.004 0.000 2.005 67 L HA -0.132 4.206 4.340 -0.003 0.000 0.207 67 L C 1.992 178.867 176.870 0.009 0.000 1.072 67 L CA 1.610 56.456 54.840 0.010 0.000 0.744 67 L CB -0.563 41.499 42.059 0.005 0.000 0.895 67 L HN 0.244 nan 8.230 nan 0.000 0.433 68 L N -0.835 120.413 121.223 0.042 0.000 2.083 68 L HA -0.221 4.117 4.340 -0.003 0.000 0.209 68 L C 2.669 179.567 176.870 0.046 0.000 1.083 68 L CA 1.593 56.508 54.840 0.124 0.000 0.752 68 L CB -0.590 41.562 42.059 0.155 0.000 0.899 68 L HN 0.454 nan 8.230 nan 0.000 0.433 69 Q N -0.069 119.739 119.800 0.013 0.000 2.119 69 Q HA -0.137 4.201 4.340 -0.003 0.000 0.201 69 Q C 2.206 178.190 176.000 -0.026 0.000 0.972 69 Q CA 1.444 57.242 55.803 -0.008 0.000 0.847 69 Q CB -0.155 28.578 28.738 -0.009 0.000 0.903 69 Q HN 0.515 nan 8.270 nan 0.000 0.433 70 G N 0.603 109.399 108.800 -0.007 0.000 2.408 70 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.217 70 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.217 70 G C 1.254 176.184 174.900 0.051 0.000 1.150 70 G CA 0.462 45.589 45.100 0.045 0.000 0.776 70 G HN 0.308 nan 8.290 nan 0.000 0.542 71 L N 0.181 121.297 121.223 -0.178 0.000 2.465 71 L HA 0.202 4.540 4.340 -0.003 0.000 0.224 71 L C 2.100 178.519 176.870 -0.751 0.000 1.145 71 L CA 0.666 55.148 54.840 -0.597 0.000 0.834 71 L CB 0.028 41.670 42.059 -0.695 0.000 0.944 71 L HN 0.420 nan 8.230 nan 0.000 0.451 72 G N -1.119 107.397 108.800 -0.474 0.000 2.148 72 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.203 72 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.203 72 G C -0.033 174.688 174.900 -0.297 0.000 0.993 72 G CA -0.637 44.263 45.100 -0.333 0.000 0.661 72 G HN 0.095 nan 8.290 nan 0.000 0.518 73 F N 1.301 121.247 119.950 -0.006 0.000 2.394 73 F HA 0.423 4.949 4.527 -0.002 0.000 0.340 73 F C 0.804 176.592 175.800 -0.020 0.000 1.105 73 F CA -1.885 56.101 58.000 -0.023 0.000 1.124 73 F CB 0.877 39.850 39.000 -0.044 0.000 1.145 73 F HN 0.026 nan 8.300 nan 0.000 0.505 74 N N 4.605 123.406 118.700 0.169 0.000 2.421 74 N HA 0.040 4.778 4.740 -0.003 0.000 0.260 74 N C -0.371 175.175 175.510 0.061 0.000 1.173 74 N CA -0.191 52.909 53.050 0.082 0.000 0.960 74 N CB 0.321 38.841 38.487 0.056 0.000 1.273 74 N HN 0.480 nan 8.380 nan 0.000 0.497 80 E N 0.487 120.639 120.200 -0.080 0.000 2.216 80 E HA -0.072 4.276 4.350 -0.003 0.000 0.192 80 E C 1.869 178.367 176.600 -0.171 0.000 0.988 80 E CA 1.538 57.862 56.400 -0.128 0.000 0.834 80 E CB -0.234 29.466 29.700 0.000 0.000 0.772 80 E HN 0.846 nan 8.360 nan 0.000 0.479 81 T N -1.153 113.347 114.554 -0.090 0.000 2.803 81 T HA -0.174 4.174 4.350 -0.003 0.000 0.269 81 T C 1.545 176.145 174.700 -0.167 0.000 1.052 81 T CA 1.329 63.366 62.100 -0.105 0.000 1.136 81 T CB -0.299 68.554 68.868 -0.025 0.000 0.864 81 T HN 0.192 nan 8.240 nan 0.000 0.467 82 E N 0.924 121.019 120.200 -0.176 0.000 2.110 82 E HA -0.034 4.314 4.350 -0.003 0.000 0.193 82 E C 2.138 178.557 176.600 -0.302 0.000 0.988 82 E CA 1.268 57.550 56.400 -0.197 0.000 0.804 82 E CB -0.402 29.196 29.700 -0.171 0.000 0.745 82 E HN 0.572 nan 8.360 nan 0.000 0.458 83 I N 0.821 121.119 120.570 -0.453 0.000 2.179 83 I HA -0.265 3.903 4.170 -0.003 0.000 0.242 83 I C 2.285 178.153 176.117 -0.413 0.000 1.088 83 I CA 1.108 62.031 61.300 -0.629 0.000 1.357 83 I CB -0.306 37.118 38.000 -0.961 0.000 1.051 83 I HN 0.192 nan 8.210 nan 0.000 0.409 84 H N 0.383 119.305 119.070 -0.245 0.000 2.462 84 H HA -0.057 4.497 4.556 -0.004 0.000 0.292 84 H C 2.109 177.271 175.328 -0.277 0.000 1.049 84 H CA 0.943 56.795 56.048 -0.326 0.000 1.334 84 H CB -0.229 29.087 29.762 -0.743 0.000 1.404 84 H HN 0.494 nan 8.280 nan 0.000 0.544 85 Q N 0.038 119.777 119.800 -0.101 0.000 2.167 85 Q HA -0.058 4.280 4.340 -0.003 0.000 0.202 85 Q C 2.504 178.476 176.000 -0.046 0.000 0.970 85 Q CA 0.960 56.791 55.803 0.046 0.000 0.855 85 Q CB -0.012 28.745 28.738 0.031 0.000 0.911 85 Q HN 0.461 nan 8.270 nan 0.000 0.438 86 G N -0.262 108.439 108.800 -0.165 0.000 2.402 86 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.216 86 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.216 86 G C 0.949 175.686 174.900 -0.273 0.000 1.162 86 G CA 0.306 45.251 45.100 -0.259 0.000 0.777 86 G HN 0.222 nan 8.290 nan 0.000 0.539 87 F N 0.484 120.352 119.950 -0.137 0.000 2.367 87 F HA 0.110 4.635 4.527 -0.004 0.000 0.298 87 F C 2.769 178.451 175.800 -0.197 0.000 1.094 87 F CA 1.043 58.957 58.000 -0.143 0.000 1.409 87 F CB -0.126 38.794 39.000 -0.132 0.000 1.064 87 F HN 0.169 nan 8.300 nan 0.000 0.528 88 Q N -0.513 119.249 119.800 -0.063 0.000 2.124 88 Q HA -0.277 4.061 4.340 -0.003 0.000 0.202 88 Q C 2.142 178.134 176.000 -0.014 0.000 0.977 88 Q CA 1.842 57.601 55.803 -0.073 0.000 0.850 88 Q CB -0.234 28.487 28.738 -0.027 0.000 0.901 88 Q HN 0.502 nan 8.270 nan 0.000 0.429 89 H N 0.049 119.051 119.070 -0.113 0.000 2.353 89 H HA -0.073 4.482 4.556 -0.003 0.000 0.300 89 H C 1.833 177.030 175.328 -0.217 0.000 1.090 89 H CA 1.849 57.813 56.048 -0.139 0.000 1.327 89 H CB -0.120 29.553 29.762 -0.149 0.000 1.383 89 H HN 0.222 nan 8.280 nan 0.000 0.508 90 L N -0.598 120.453 121.223 -0.287 0.000 2.027 90 L HA -0.186 4.152 4.340 -0.003 0.000 0.206 90 L C 2.651 179.183 176.870 -0.563 0.000 1.074 90 L CA 1.524 55.992 54.840 -0.620 0.000 0.745 90 L CB -0.761 41.078 42.059 -0.367 0.000 0.898 90 L HN 0.486 nan 8.230 nan 0.000 0.433 91 H N 0.209 119.146 119.070 -0.221 0.000 2.387 91 H HA -0.218 4.336 4.556 -0.003 0.000 0.299 91 H C 2.191 177.460 175.328 -0.099 0.000 1.099 91 H CA 1.901 57.907 56.048 -0.072 0.000 1.315 91 H CB 0.235 29.983 29.762 -0.024 0.000 1.380 91 H HN 0.386 nan 8.280 nan 0.000 0.513 92 Q N 0.790 120.537 119.800 -0.089 0.000 2.049 92 Q HA -0.075 4.263 4.340 -0.003 0.000 0.198 92 Q C 2.629 178.517 176.000 -0.187 0.000 0.971 92 Q CA 0.905 56.641 55.803 -0.112 0.000 0.833 92 Q CB -0.094 28.584 28.738 -0.099 0.000 0.896 92 Q HN 0.515 nan 8.270 nan 0.000 0.434 93 L N 0.104 121.126 121.223 -0.334 0.000 2.275 93 L HA -0.078 4.260 4.340 -0.003 0.000 0.215 93 L C 1.165 178.009 176.870 -0.043 0.000 1.119 93 L CA 0.312 54.975 54.840 -0.295 0.000 0.790 93 L CB -0.195 41.586 42.059 -0.463 0.000 0.919 93 L HN 0.102 nan 8.230 nan 0.000 0.443 94 F N 0.498 120.378 119.950 -0.117 0.000 2.663 94 F HA 0.304 4.830 4.527 -0.002 0.000 0.299 94 F C 1.044 176.795 175.800 -0.082 0.000 1.143 94 F CA -1.024 56.929 58.000 -0.079 0.000 1.387 94 F CB -0.880 38.080 39.000 -0.066 0.000 1.019 94 F HN -0.129 nan 8.300 nan 0.000 0.523 95 A N 1.316 124.176 122.820 0.066 0.000 2.394 95 A HA 0.620 4.938 4.320 -0.003 0.000 0.333 95 A C 0.130 177.739 177.584 0.041 0.000 1.397 95 A CA -0.480 51.573 52.037 0.027 0.000 0.884 95 A CB 0.275 19.255 19.000 -0.034 0.000 1.147 95 A HN 0.162 nan 8.150 nan 0.000 0.505 96 K N 1.018 121.460 120.400 0.070 0.000 2.464 96 K HA 0.650 4.968 4.320 -0.003 0.000 0.253 96 K C -1.053 175.582 176.600 0.059 0.000 0.933 96 K CA -0.601 55.718 56.287 0.054 0.000 0.801 96 K CB 2.376 34.912 32.500 0.061 0.000 1.271 96 K HN 0.653 nan 8.250 nan 0.000 0.430 97 S N 1.078 116.801 115.700 0.038 0.000 2.385 97 S HA 0.332 4.800 4.470 -0.003 0.000 0.191 97 S C -1.121 173.491 174.600 0.019 0.000 1.196 97 S CA -0.930 57.290 58.200 0.034 0.000 1.178 97 S CB 0.505 63.723 63.200 0.030 0.000 1.258 97 S HN 0.446 nan 8.310 nan 0.000 0.430 98 D N 1.127 121.536 120.400 0.015 0.000 2.650 98 D HA 0.414 5.052 4.640 -0.003 0.000 0.255 98 D C 1.075 177.377 176.300 0.003 0.000 1.135 98 D CA -0.598 53.407 54.000 0.008 0.000 1.099 98 D CB 1.037 41.842 40.800 0.009 0.000 1.273 98 D HN 0.361 nan 8.370 nan 0.000 0.628 99 T N -1.296 113.259 114.554 0.003 0.000 3.023 99 T HA -0.015 4.333 4.350 -0.003 0.000 0.266 99 T C 1.024 175.720 174.700 -0.006 0.000 1.093 99 T CA 1.131 63.231 62.100 0.001 0.000 1.129 99 T CB 0.036 68.907 68.868 0.005 0.000 0.899 99 T HN 0.172 nan 8.240 nan 0.000 0.491 100 S N -0.272 115.424 115.700 -0.007 0.000 2.787 100 S HA 0.434 4.902 4.470 -0.003 0.000 0.255 100 S C -0.713 173.860 174.600 -0.045 0.000 1.051 100 S CA -0.534 57.656 58.200 -0.018 0.000 1.124 100 S CB 0.846 64.051 63.200 0.009 0.000 1.104 100 S HN 0.383 nan 8.310 nan 0.000 0.623 101 L N 2.165 123.365 121.223 -0.039 0.000 2.470 101 L HA 0.666 5.004 4.340 -0.003 0.000 0.268 101 L C -1.253 175.593 176.870 -0.041 0.000 0.964 101 L CA -0.179 54.625 54.840 -0.061 0.000 0.839 101 L CB 1.935 43.995 42.059 0.001 0.000 1.276 101 L HN 0.043 nan 8.230 nan 0.000 0.403 102 E N 5.408 125.557 120.200 -0.084 0.000 2.263 102 E HA 0.667 5.015 4.350 -0.003 0.000 0.268 102 E C -1.755 174.867 176.600 0.037 0.000 0.884 102 E CA -0.565 55.846 56.400 0.020 0.000 0.766 102 E CB 1.662 31.423 29.700 0.101 0.000 1.196 102 E HN 0.765 nan 8.360 nan 0.000 0.416 103 M N 3.900 123.587 119.600 0.144 0.000 2.322 103 M HA 0.400 4.878 4.480 -0.003 0.000 0.285 103 M C -1.871 174.564 176.300 0.224 0.000 1.119 103 M CA -0.290 55.130 55.300 0.200 0.000 0.953 103 M CB 2.431 35.140 32.600 0.182 0.000 1.701 103 M HN 0.562 nan 8.290 nan 0.000 0.479 104 T N 4.381 119.111 114.554 0.294 0.000 2.916 104 T HA 0.785 5.133 4.350 -0.003 0.000 0.305 104 T C -1.747 173.074 174.700 0.203 0.000 1.119 104 T CA -0.565 61.675 62.100 0.233 0.000 1.008 104 T CB 1.785 70.812 68.868 0.265 0.000 1.129 104 T HN 0.865 nan 8.240 nan 0.000 0.480 105 M N 2.606 122.225 119.600 0.031 0.000 2.421 105 M HA 0.699 5.177 4.480 -0.003 0.000 0.287 105 M C -0.839 175.274 176.300 -0.312 0.000 1.183 105 M CA -0.228 55.004 55.300 -0.113 0.000 0.916 105 M CB 2.135 34.761 32.600 0.043 0.000 1.701 105 M HN 0.901 nan 8.290 nan 0.000 0.470 106 G N 2.050 110.450 108.800 -0.667 0.000 2.623 106 G HA2 0.560 4.518 3.960 -0.003 0.000 0.290 106 G HA3 0.560 4.518 3.960 -0.003 0.000 0.290 106 G C -2.268 172.458 174.900 -0.290 0.000 1.437 106 G CA -0.688 44.156 45.100 -0.427 0.000 0.798 106 G HN 0.652 nan 8.290 nan 0.000 0.488 107 N N -0.654 118.099 118.700 0.087 0.000 2.229 107 N HA 0.775 5.513 4.740 -0.003 0.000 0.298 107 N C -0.824 174.805 175.510 0.199 0.000 1.114 107 N CA -0.283 52.852 53.050 0.141 0.000 0.776 107 N CB 2.499 41.025 38.487 0.065 0.000 1.501 107 N HN 0.993 nan 8.380 nan 0.000 0.474 108 A N 1.020 123.938 122.820 0.164 0.000 2.572 108 A HA 0.602 4.920 4.320 -0.003 0.000 0.295 108 A C -1.857 175.674 177.584 -0.088 0.000 1.072 108 A CA -0.570 51.450 52.037 -0.029 0.000 0.691 108 A CB 1.619 20.514 19.000 -0.175 0.000 1.291 108 A HN 0.478 nan 8.150 nan 0.000 0.404 109 L N 1.994 123.070 121.223 -0.246 0.000 2.372 109 L HA 0.639 4.977 4.340 -0.003 0.000 0.274 109 L C -1.851 174.849 176.870 -0.284 0.000 0.988 109 L CA -0.314 54.455 54.840 -0.119 0.000 0.833 109 L CB 0.714 42.760 42.059 -0.021 0.000 1.236 109 L HN 0.694 nan 8.230 nan 0.000 0.410 110 F N 5.797 125.754 119.950 0.013 0.000 2.405 110 F HA 0.483 5.008 4.527 -0.003 0.000 0.355 110 F C 0.052 175.875 175.800 0.038 0.000 1.121 110 F CA -0.516 57.478 58.000 -0.010 0.000 1.112 110 F CB 1.564 40.538 39.000 -0.043 0.000 1.126 110 F HN 0.316 nan 8.300 nan 0.000 0.481 111 L N 3.652 124.974 121.223 0.165 0.000 2.381 111 L HA 0.440 4.778 4.340 -0.003 0.000 0.274 111 L C -0.722 176.217 176.870 0.114 0.000 0.988 111 L CA -0.539 54.371 54.840 0.117 0.000 0.824 111 L CB 1.517 43.618 42.059 0.071 0.000 1.263 111 L HN 0.491 nan 8.230 nan 0.000 0.410 112 D N 2.543 123.004 120.400 0.101 0.000 2.443 112 D HA 0.247 4.885 4.640 -0.003 0.000 0.239 112 D C 1.348 177.699 176.300 0.084 0.000 1.136 112 D CA 1.136 55.205 54.000 0.115 0.000 0.879 112 D CB 1.691 42.531 40.800 0.066 0.000 1.195 112 D HN 0.729 nan 8.370 nan 0.000 0.443 113 G N 1.372 110.233 108.800 0.100 0.000 2.479 113 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.220 113 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.220 113 G C 1.404 176.338 174.900 0.058 0.000 1.115 113 G CA 1.027 46.170 45.100 0.072 0.000 0.757 113 G HN 0.546 nan 8.290 nan 0.000 0.560 114 S N -0.672 115.067 115.700 0.064 0.000 2.515 114 S HA 0.274 4.742 4.470 -0.003 0.000 0.231 114 S C 0.779 175.389 174.600 0.016 0.000 0.987 114 S CA -0.028 58.198 58.200 0.043 0.000 0.936 114 S CB -0.115 63.116 63.200 0.052 0.000 0.766 114 S HN 0.193 nan 8.310 nan 0.000 0.528 115 L N 0.916 122.146 121.223 0.012 0.000 2.342 115 L HA 0.647 4.985 4.340 -0.003 0.000 0.271 115 L C -0.408 176.472 176.870 0.016 0.000 1.008 115 L CA -0.623 54.219 54.840 0.002 0.000 0.818 115 L CB 1.948 43.999 42.059 -0.013 0.000 1.296 115 L HN 0.105 nan 8.230 nan 0.000 0.427 116 E N 2.167 122.374 120.200 0.013 0.000 2.256 116 E HA 0.482 4.830 4.350 -0.003 0.000 0.268 116 E C -1.218 175.398 176.600 0.026 0.000 0.877 116 E CA -0.653 55.761 56.400 0.023 0.000 0.757 116 E CB 2.602 32.314 29.700 0.020 0.000 1.183 116 E HN 0.384 nan 8.360 nan 0.000 0.418 117 L N 3.123 124.379 121.223 0.056 0.000 2.452 117 L HA 0.238 4.576 4.340 -0.003 0.000 0.267 117 L C 0.160 177.081 176.870 0.085 0.000 1.188 117 L CA -0.410 54.488 54.840 0.096 0.000 0.821 117 L CB 0.123 42.315 42.059 0.221 0.000 1.102 117 L HN 0.374 nan 8.230 nan 0.000 0.470 118 L N 1.458 122.734 121.223 0.088 0.000 2.439 118 L HA -0.003 4.335 4.340 -0.003 0.000 0.269 118 L C 1.433 178.368 176.870 0.108 0.000 1.179 118 L CA 0.002 54.888 54.840 0.076 0.000 0.828 118 L CB 0.644 42.734 42.059 0.052 0.000 1.106 118 L HN 0.657 nan 8.230 nan 0.000 0.467 119 E N 1.587 121.824 120.200 0.063 0.000 2.065 119 E HA -0.271 4.077 4.350 -0.003 0.000 0.201 119 E C 1.956 178.585 176.600 0.048 0.000 1.016 119 E CA 2.322 58.748 56.400 0.044 0.000 0.818 119 E CB -0.077 29.637 29.700 0.023 0.000 0.749 119 E HN 0.723 nan 8.360 nan 0.000 0.453 120 S N -0.773 114.963 115.700 0.060 0.000 2.402 120 S HA -0.145 4.323 4.470 -0.003 0.000 0.229 120 S C 2.069 176.717 174.600 0.080 0.000 1.021 120 S CA 0.920 59.151 58.200 0.053 0.000 0.974 120 S CB -0.778 62.453 63.200 0.051 0.000 0.800 120 S HN 0.414 nan 8.310 nan 0.000 0.484 121 F N 3.798 123.732 119.950 -0.027 0.000 2.113 121 F HA -0.064 4.461 4.527 -0.004 0.000 0.297 121 F C 2.658 178.441 175.800 -0.029 0.000 1.103 121 F CA 1.669 59.645 58.000 -0.039 0.000 1.248 121 F CB -0.746 38.222 39.000 -0.054 0.000 0.999 121 F HN 0.361 nan 8.300 nan 0.000 0.475 122 S N 0.571 116.239 115.700 -0.054 0.000 2.402 122 S HA -0.067 4.401 4.470 -0.003 0.000 0.229 122 S C 2.221 176.736 174.600 -0.143 0.000 1.021 122 S CA 0.684 58.794 58.200 -0.151 0.000 0.974 122 S CB -1.151 62.049 63.200 -0.000 0.000 0.800 122 S HN 0.442 nan 8.310 nan 0.000 0.484 123 A N 2.243 125.013 122.820 -0.082 0.000 1.930 123 A HA -0.070 4.247 4.320 -0.003 0.000 0.217 123 A C 1.968 179.508 177.584 -0.074 0.000 1.175 123 A CA 1.555 53.550 52.037 -0.071 0.000 0.627 123 A CB -0.724 18.243 19.000 -0.055 0.000 0.815 123 A HN 0.470 nan 8.150 nan 0.000 0.443 124 D N 0.237 120.594 120.400 -0.071 0.000 2.117 124 D HA -0.123 4.515 4.640 -0.003 0.000 0.198 124 D C 1.989 178.327 176.300 0.063 0.000 0.982 124 D CA 1.661 55.691 54.000 0.050 0.000 0.828 124 D CB -0.408 40.412 40.800 0.032 0.000 0.967 124 D HN 0.704 nan 8.370 nan 0.000 0.464 125 I N -1.258 119.194 120.570 -0.197 0.000 2.394 125 I HA -0.123 4.045 4.170 -0.003 0.000 0.251 125 I C 1.797 177.882 176.117 -0.055 0.000 1.136 125 I CA 1.111 62.310 61.300 -0.169 0.000 1.425 125 I CB -0.156 37.546 38.000 -0.498 0.000 1.079 125 I HN -0.207 nan 8.210 nan 0.000 0.425 126 K N 0.108 120.455 120.400 -0.088 0.000 2.167 126 K HA -0.126 4.192 4.320 -0.003 0.000 0.203 126 K C 2.088 178.644 176.600 -0.075 0.000 1.052 126 K CA 1.402 57.647 56.287 -0.070 0.000 0.956 126 K CB -0.283 32.177 32.500 -0.066 0.000 0.735 126 K HN 0.466 nan 8.250 nan 0.000 0.451 127 H N -0.405 118.549 119.070 -0.193 0.000 2.294 127 H HA -0.068 4.486 4.556 -0.003 0.000 0.306 127 H C 1.528 176.640 175.328 -0.360 0.000 1.065 127 H CA 1.775 57.627 56.048 -0.327 0.000 1.343 127 H CB -0.016 29.436 29.762 -0.516 0.000 1.396 127 H HN 0.151 nan 8.280 nan 0.000 0.506 128 Y N -1.780 118.463 120.300 -0.095 0.000 2.337 128 Y HA -0.049 4.498 4.550 -0.005 0.000 0.293 128 Y C 1.180 176.768 175.900 -0.520 0.000 1.123 128 Y CA 0.799 58.726 58.100 -0.288 0.000 1.201 128 Y CB 0.233 38.567 38.460 -0.210 0.000 1.011 128 Y HN 0.265 nan 8.280 nan 0.000 0.545 129 Y N -0.656 119.591 120.300 -0.089 0.000 2.481 129 Y HA 0.162 4.710 4.550 -0.003 0.000 0.247 129 Y C 0.618 176.261 175.900 -0.428 0.000 1.151 129 Y CA -0.515 57.445 58.100 -0.233 0.000 1.238 129 Y CB 0.238 38.609 38.460 -0.148 0.000 1.179 129 Y HN 0.009 nan 8.280 nan 0.000 0.524 130 E N 1.173 121.225 120.200 -0.247 0.000 2.328 130 E HA -0.244 4.104 4.350 -0.003 0.000 0.233 130 E C -0.221 176.333 176.600 -0.076 0.000 1.219 130 E CA 0.414 56.697 56.400 -0.194 0.000 0.717 130 E CB -0.792 28.762 29.700 -0.244 0.000 1.210 130 E HN 0.218 nan 8.360 nan 0.000 0.381 131 S N 0.306 115.977 115.700 -0.050 0.000 2.528 131 S HA 0.131 4.599 4.470 -0.003 0.000 0.277 131 S C -0.059 174.519 174.600 -0.037 0.000 1.297 131 S CA -0.498 57.685 58.200 -0.027 0.000 1.052 131 S CB 0.856 64.016 63.200 -0.068 0.000 0.917 131 S HN 0.294 nan 8.310 nan 0.000 0.492 132 E N 2.568 122.756 120.200 -0.019 0.000 2.338 132 E HA 0.267 4.615 4.350 -0.003 0.000 0.272 132 E C -0.902 175.597 176.600 -0.167 0.000 1.029 132 E CA -0.407 55.952 56.400 -0.069 0.000 0.872 132 E CB 1.105 30.780 29.700 -0.042 0.000 1.015 132 E HN 0.377 nan 8.360 nan 0.000 0.417 133 V N 5.403 125.230 119.914 -0.145 0.000 2.334 133 V HA 0.270 4.388 4.120 -0.003 0.000 0.281 133 V C -0.353 175.637 176.094 -0.173 0.000 1.016 133 V CA -0.503 61.703 62.300 -0.157 0.000 0.832 133 V CB 0.444 32.222 31.823 -0.076 0.000 0.999 133 V HN 0.474 nan 8.190 nan 0.000 0.439 134 L N 4.324 125.376 121.223 -0.285 0.000 2.341 134 L HA 0.793 5.131 4.340 -0.003 0.000 0.278 134 L C 0.631 177.460 176.870 -0.069 0.000 1.005 134 L CA -0.538 54.168 54.840 -0.223 0.000 0.818 134 L CB 1.833 43.641 42.059 -0.418 0.000 1.259 134 L HN 0.671 nan 8.230 nan 0.000 0.418 135 A N 4.834 127.655 122.820 0.000 0.000 2.425 135 A HA 0.628 4.946 4.320 -0.003 0.000 0.242 135 A C -0.299 177.345 177.584 0.100 0.000 1.077 135 A CA 0.066 52.133 52.037 0.050 0.000 0.781 135 A CB 0.683 19.706 19.000 0.038 0.000 1.020 135 A HN 0.827 nan 8.150 nan 0.000 0.494 136 M N 1.726 121.395 119.600 0.114 0.000 2.414 136 M HA 0.337 4.815 4.480 -0.003 0.000 0.287 136 M C -1.903 174.480 176.300 0.139 0.000 1.181 136 M CA -0.582 54.796 55.300 0.129 0.000 0.933 136 M CB 1.957 34.666 32.600 0.181 0.000 1.732 136 M HN 0.720 nan 8.290 nan 0.000 0.486 137 N N 3.619 122.388 118.700 0.115 0.000 2.609 137 N HA 0.245 4.983 4.740 -0.003 0.000 0.234 137 N C 0.004 175.625 175.510 0.184 0.000 1.001 137 N CA -0.532 52.602 53.050 0.139 0.000 0.926 137 N CB 0.346 38.870 38.487 0.061 0.000 1.130 137 N HN 0.631 nan 8.380 nan 0.000 0.510 138 F N 2.629 122.649 119.950 0.117 0.000 2.502 138 F HA 0.076 4.601 4.527 -0.003 0.000 0.298 138 F C 1.374 177.281 175.800 0.177 0.000 1.111 138 F CA 0.757 58.881 58.000 0.206 0.000 1.445 138 F CB 0.052 39.153 39.000 0.168 0.000 1.081 138 F HN 0.391 nan 8.300 nan 0.000 0.558 139 Q N 0.397 119.868 119.800 -0.549 0.000 2.167 139 Q HA -0.124 4.214 4.340 -0.003 0.000 0.202 139 Q C 0.124 175.990 176.000 -0.224 0.000 0.970 139 Q CA 1.247 56.712 55.803 -0.563 0.000 0.855 139 Q CB -0.537 28.010 28.738 -0.318 0.000 0.911 139 Q HN 0.453 nan 8.270 nan 0.000 0.438 140 D N -0.236 120.111 120.400 -0.090 0.000 2.493 140 D HA 0.001 4.639 4.640 -0.003 0.000 0.235 140 D C 0.144 176.461 176.300 0.028 0.000 1.117 140 D CA -0.370 53.612 54.000 -0.029 0.000 0.930 140 D CB -0.177 40.598 40.800 -0.042 0.000 1.010 140 D HN 0.210 nan 8.370 nan 0.000 0.514 141 W N 3.594 124.816 121.300 -0.130 0.000 2.467 141 W HA -0.124 4.534 4.660 -0.004 0.000 0.275 141 W C 1.302 177.754 176.519 -0.112 0.000 1.239 141 W CA 0.987 58.266 57.345 -0.111 0.000 1.266 141 W CB 0.324 29.736 29.460 -0.080 0.000 1.112 141 W HN 0.465 nan 8.180 nan 0.000 0.576 142 A N 0.604 123.361 122.820 -0.106 0.000 1.883 142 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 142 A C 1.905 179.329 177.584 -0.265 0.000 1.186 142 A CA 2.578 54.507 52.037 -0.181 0.000 0.624 142 A CB -1.264 17.693 19.000 -0.072 0.000 0.822 142 A HN 0.255 nan 8.150 nan 0.000 0.444 143 T N 0.166 114.593 114.554 -0.211 0.000 2.737 143 T HA 0.038 4.386 4.350 -0.003 0.000 0.265 143 T C 2.266 176.771 174.700 -0.324 0.000 1.038 143 T CA 1.545 63.520 62.100 -0.208 0.000 1.144 143 T CB -0.499 68.293 68.868 -0.127 0.000 0.866 143 T HN 0.599 nan 8.240 nan 0.000 0.434 144 A N 2.093 124.668 122.820 -0.409 0.000 1.883 144 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 144 A C 2.597 179.614 177.584 -0.945 0.000 1.186 144 A CA 2.401 54.094 52.037 -0.573 0.000 0.624 144 A CB -1.026 17.690 19.000 -0.473 0.000 0.822 144 A HN 0.611 nan 8.150 nan 0.000 0.444 145 S N -0.818 114.104 115.700 -1.297 0.000 2.423 145 S HA -0.124 4.344 4.470 -0.003 0.000 0.231 145 S C 2.010 176.203 174.600 -0.679 0.000 1.014 145 S CA 1.097 58.537 58.200 -1.266 0.000 0.965 145 S CB -0.390 62.063 63.200 -1.246 0.000 0.785 145 S HN 0.578 nan 8.310 nan 0.000 0.495 146 R N 0.984 121.189 120.500 -0.492 0.000 2.073 146 R HA -0.053 4.285 4.340 -0.003 0.000 0.229 146 R C 2.736 178.880 176.300 -0.260 0.000 1.120 146 R CA 1.426 57.351 56.100 -0.292 0.000 0.967 146 R CB -0.376 29.795 30.300 -0.216 0.000 0.862 146 R HN 0.688 nan 8.270 nan 0.000 0.436 147 Q N 0.560 120.173 119.800 -0.312 0.000 2.050 147 Q HA -0.173 4.165 4.340 -0.003 0.000 0.202 147 Q C 1.998 177.824 176.000 -0.291 0.000 0.980 147 Q CA 1.738 57.398 55.803 -0.238 0.000 0.840 147 Q CB -0.059 28.541 28.738 -0.229 0.000 0.898 147 Q HN 0.406 nan 8.270 nan 0.000 0.424 148 I N 0.991 121.205 120.570 -0.594 0.000 2.286 148 I HA -0.228 3.940 4.170 -0.003 0.000 0.245 148 I C 1.946 177.944 176.117 -0.199 0.000 1.104 148 I CA 0.653 61.536 61.300 -0.694 0.000 1.397 148 I CB -0.410 36.919 38.000 -1.117 0.000 1.072 148 I HN 0.202 nan 8.210 nan 0.000 0.417 149 N N 0.902 119.491 118.700 -0.185 0.000 2.120 149 N HA -0.159 4.579 4.740 -0.003 0.000 0.188 149 N C 2.124 177.636 175.510 0.003 0.000 1.024 149 N CA 1.950 54.985 53.050 -0.025 0.000 0.852 149 N CB -0.438 38.024 38.487 -0.041 0.000 1.003 149 N HN 0.411 nan 8.380 nan 0.000 0.424 150 S N -0.216 115.469 115.700 -0.025 0.000 2.368 150 S HA -0.165 4.303 4.470 -0.003 0.000 0.224 150 S C 2.091 176.707 174.600 0.028 0.000 1.029 150 S CA 0.620 58.815 58.200 -0.008 0.000 0.988 150 S CB -0.925 62.263 63.200 -0.021 0.000 0.838 150 S HN 0.456 nan 8.310 nan 0.000 0.462 151 Y N 2.659 122.940 120.300 -0.031 0.000 2.097 151 Y HA -0.161 4.387 4.550 -0.004 0.000 0.282 151 Y C 2.341 178.222 175.900 -0.032 0.000 1.152 151 Y CA 1.899 60.013 58.100 0.022 0.000 1.136 151 Y CB -0.627 37.947 38.460 0.190 0.000 0.975 151 Y HN 0.138 nan 8.280 nan 0.000 0.498 152 V N 0.610 120.604 119.914 0.133 0.000 2.343 152 V HA -0.298 3.820 4.120 -0.003 0.000 0.247 152 V C 2.376 178.411 176.094 -0.098 0.000 1.051 152 V CA 2.229 64.543 62.300 0.023 0.000 1.036 152 V CB -0.717 31.231 31.823 0.209 0.000 0.654 152 V HN 0.315 nan 8.190 nan 0.000 0.451 153 K N 0.388 120.758 120.400 -0.051 0.000 2.001 153 K HA -0.254 4.064 4.320 -0.003 0.000 0.214 153 K C 2.019 178.534 176.600 -0.141 0.000 1.050 153 K CA 2.427 58.675 56.287 -0.065 0.000 0.934 153 K CB -0.276 32.199 32.500 -0.042 0.000 0.718 153 K HN 0.537 nan 8.250 nan 0.000 0.443 154 N N -0.108 118.481 118.700 -0.186 0.000 2.084 154 N HA -0.132 4.606 4.740 -0.003 0.000 0.190 154 N C 1.467 176.782 175.510 -0.325 0.000 1.030 154 N CA 1.108 54.021 53.050 -0.229 0.000 0.849 154 N CB 0.113 38.474 38.487 -0.210 0.000 1.012 154 N HN 0.049 nan 8.380 nan 0.000 0.423 155 K N 0.050 120.160 120.400 -0.484 0.000 2.147 155 K HA -0.051 4.267 4.320 -0.003 0.000 0.205 155 K C 1.474 177.821 176.600 -0.422 0.000 1.049 155 K CA 1.282 57.187 56.287 -0.638 0.000 0.936 155 K CB -0.651 31.019 32.500 -1.382 0.000 0.722 155 K HN 0.431 nan 8.250 nan 0.000 0.446 156 T N -0.846 113.537 114.554 -0.286 0.000 3.244 156 T HA 0.093 4.441 4.350 -0.003 0.000 0.254 156 T C 0.221 174.729 174.700 -0.319 0.000 1.024 156 T CA -0.307 61.729 62.100 -0.106 0.000 0.920 156 T CB 0.115 69.063 68.868 0.134 0.000 1.042 156 T HN 0.076 nan 8.240 nan 0.000 0.572 157 Q N 0.160 119.694 119.800 -0.443 0.000 2.481 157 Q HA -0.238 4.100 4.340 -0.003 0.000 0.272 157 Q C 1.201 177.082 176.000 -0.200 0.000 1.157 157 Q CA 1.000 56.549 55.803 -0.423 0.000 0.935 157 Q CB -2.201 26.078 28.738 -0.766 0.000 1.338 157 Q HN 1.251 nan 8.270 nan 0.000 0.494 158 G N -0.759 107.964 108.800 -0.129 0.000 2.159 158 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.256 158 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.256 158 G C 0.898 175.797 174.900 -0.003 0.000 0.977 158 G CA 0.625 45.690 45.100 -0.058 0.000 0.652 158 G HN 0.265 nan 8.290 nan 0.000 0.531 159 K N -0.328 120.097 120.400 0.040 0.000 2.076 159 K HA 0.169 4.487 4.320 -0.003 0.000 0.204 159 K C 1.250 177.905 176.600 0.090 0.000 1.051 159 K CA 0.697 57.045 56.287 0.102 0.000 0.949 159 K CB 0.115 32.749 32.500 0.225 0.000 0.726 159 K HN 0.437 nan 8.250 nan 0.000 0.443 160 I N 2.948 123.576 120.570 0.097 0.000 2.287 160 I HA 0.127 4.295 4.170 -0.003 0.000 0.290 160 I C -0.173 175.983 176.117 0.065 0.000 1.069 160 I CA -0.569 60.789 61.300 0.097 0.000 1.237 160 I CB 0.697 38.783 38.000 0.144 0.000 1.418 160 I HN -0.314 nan 8.210 nan 0.000 0.481 161 V N 5.396 125.340 119.914 0.051 0.000 2.547 161 V HA 0.352 4.470 4.120 -0.003 0.000 0.299 161 V C -0.093 176.029 176.094 0.047 0.000 1.040 161 V CA -0.758 61.564 62.300 0.036 0.000 0.913 161 V CB 1.573 33.407 31.823 0.018 0.000 0.992 161 V HN 0.727 nan 8.190 nan 0.000 0.449 162 D N 2.062 122.490 120.400 0.047 0.000 2.812 162 D HA -0.179 4.459 4.640 -0.003 0.000 0.237 162 D C 0.615 176.972 176.300 0.094 0.000 1.162 162 D CA 0.489 54.525 54.000 0.060 0.000 0.740 162 D CB -0.318 40.507 40.800 0.042 0.000 1.000 162 D HN 0.492 nan 8.370 nan 0.000 0.416 163 L N -0.379 120.924 121.223 0.134 0.000 2.056 163 L HA 0.045 4.383 4.340 -0.003 0.000 0.207 163 L C 0.821 177.751 176.870 0.099 0.000 1.078 163 L CA 1.705 56.644 54.840 0.165 0.000 0.749 163 L CB -0.014 42.188 42.059 0.239 0.000 0.901 163 L HN 0.172 nan 8.230 nan 0.000 0.433 169 S N 0.690 116.434 115.700 0.073 0.000 2.542 169 S HA 0.692 5.160 4.470 -0.003 0.000 0.293 169 S C -2.740 171.471 174.600 -0.648 0.000 1.089 169 S CA -1.095 56.988 58.200 -0.194 0.000 0.961 169 S CB 2.389 65.535 63.200 -0.090 0.000 1.062 169 S HN -0.160 nan 8.310 nan 0.000 0.483 170 P HA 0.348 nan 4.420 nan 0.000 0.266 170 P C -1.385 175.566 177.300 -0.582 0.000 1.193 170 P CA 0.026 62.297 63.100 -1.382 0.000 0.770 170 P CB 0.397 31.722 31.700 -0.625 0.000 0.836 171 A N 2.004 124.588 122.820 -0.394 0.000 2.589 171 A HA 0.466 4.784 4.320 -0.003 0.000 0.296 171 A C 0.499 178.081 177.584 -0.003 0.000 1.062 171 A CA -0.618 51.370 52.037 -0.081 0.000 0.686 171 A CB 0.477 19.495 19.000 0.029 0.000 1.282 171 A HN 0.436 nan 8.150 nan 0.000 0.404 172 I N -0.218 120.211 120.570 -0.236 0.000 2.876 172 I HA 0.333 4.501 4.170 -0.003 0.000 0.264 172 I C 0.403 176.497 176.117 -0.038 0.000 1.204 172 I CA 0.699 61.800 61.300 -0.331 0.000 1.485 172 I CB -0.424 37.245 38.000 -0.553 0.000 1.103 172 I HN 0.440 nan 8.210 nan 0.000 0.446 173 L N 0.794 122.049 121.223 0.053 0.000 2.431 173 L HA 0.760 5.098 4.340 -0.003 0.000 0.266 173 L C -1.464 175.547 176.870 0.235 0.000 0.978 173 L CA -0.763 54.161 54.840 0.141 0.000 0.822 173 L CB 2.210 44.336 42.059 0.111 0.000 1.310 173 L HN -0.240 nan 8.230 nan 0.000 0.409 174 V N 5.687 125.783 119.914 0.302 0.000 2.482 174 V HA 0.389 4.507 4.120 -0.003 0.000 0.295 174 V C -0.396 175.941 176.094 0.403 0.000 1.026 174 V CA -0.451 62.087 62.300 0.397 0.000 0.856 174 V CB 1.802 33.871 31.823 0.411 0.000 1.001 174 V HN 0.655 nan 8.190 nan 0.000 0.424 175 L N 6.124 127.567 121.223 0.366 0.000 2.289 175 L HA 0.770 5.108 4.340 -0.003 0.000 0.285 175 L C -0.886 176.207 176.870 0.370 0.000 1.049 175 L CA -0.149 54.868 54.840 0.294 0.000 0.804 175 L CB 1.445 43.620 42.059 0.193 0.000 1.195 175 L HN 0.483 nan 8.230 nan 0.000 0.428 176 V N 4.958 125.084 119.914 0.352 0.000 2.709 176 V HA 0.502 4.620 4.120 -0.003 0.000 0.308 176 V C -0.612 175.693 176.094 0.353 0.000 1.062 176 V CA -0.805 61.755 62.300 0.434 0.000 0.901 176 V CB 1.894 34.069 31.823 0.587 0.000 1.003 176 V HN 0.831 nan 8.190 nan 0.000 0.425 177 N N 2.927 121.836 118.700 0.349 0.000 2.225 177 N HA 0.538 5.276 4.740 -0.003 0.000 0.298 177 N C -1.815 173.921 175.510 0.377 0.000 1.076 177 N CA -0.288 52.923 53.050 0.269 0.000 0.792 177 N CB 2.871 41.448 38.487 0.149 0.000 1.498 177 N HN 0.717 nan 8.380 nan 0.000 0.474 178 Y N 1.334 121.804 120.300 0.282 0.000 2.512 178 Y HA 0.733 5.281 4.550 -0.003 0.000 0.348 178 Y C -1.249 174.805 175.900 0.258 0.000 0.990 178 Y CA -1.140 57.124 58.100 0.274 0.000 1.033 178 Y CB 1.292 39.906 38.460 0.257 0.000 1.259 178 Y HN 0.393 nan 8.280 nan 0.000 0.461 179 I N 4.212 125.026 120.570 0.408 0.000 2.582 179 I HA 0.605 4.773 4.170 -0.003 0.000 0.292 179 I C -2.143 174.284 176.117 0.516 0.000 1.066 179 I CA -1.098 60.412 61.300 0.350 0.000 1.053 179 I CB 1.801 39.905 38.000 0.173 0.000 1.241 179 I HN 0.776 nan 8.210 nan 0.000 0.421 180 F N 8.524 128.666 119.950 0.320 0.000 2.529 180 F HA 0.647 5.172 4.527 -0.004 0.000 0.320 180 F C -2.041 173.933 175.800 0.291 0.000 1.118 180 F CA -0.775 57.392 58.000 0.278 0.000 0.915 180 F CB 1.642 40.756 39.000 0.190 0.000 1.161 180 F HN 0.356 nan 8.300 nan 0.000 0.445 181 F N 6.896 126.424 119.950 -0.704 0.000 2.557 181 F HA 0.502 5.027 4.527 -0.003 0.000 0.316 181 F C -1.640 173.653 175.800 -0.845 0.000 1.141 181 F CA -0.713 56.942 58.000 -0.575 0.000 0.922 181 F CB 1.468 40.368 39.000 -0.167 0.000 1.194 181 F HN 0.516 nan 8.300 nan 0.000 0.443 182 K N 4.963 124.510 120.400 -1.422 0.000 2.616 182 K HA 0.624 4.942 4.320 -0.003 0.000 0.241 182 K C -0.730 175.109 176.600 -1.269 0.000 0.961 182 K CA -0.547 55.028 56.287 -1.186 0.000 0.942 182 K CB 1.121 33.278 32.500 -0.572 0.000 1.153 182 K HN 0.916 nan 8.250 nan 0.000 0.452 183 G N 1.547 109.413 108.800 -1.557 0.000 2.417 183 G HA2 0.441 4.399 3.960 -0.003 0.000 0.334 183 G HA3 0.441 4.399 3.960 -0.003 0.000 0.334 183 G C -0.910 173.702 174.900 -0.479 0.000 1.150 183 G CA -0.378 44.107 45.100 -1.025 0.000 0.923 183 G HN 0.426 nan 8.290 nan 0.000 0.485 184 T N 1.088 115.561 114.554 -0.135 0.000 2.792 184 T HA 0.292 4.640 4.350 -0.003 0.000 0.280 184 T C -0.399 174.393 174.700 0.153 0.000 0.990 184 T CA -0.205 61.869 62.100 -0.043 0.000 0.960 184 T CB 0.826 69.694 68.868 0.000 0.000 0.939 184 T HN 0.470 nan 8.240 nan 0.000 0.439 185 W N 2.401 123.837 121.300 0.227 0.000 2.257 185 W HA 0.103 4.761 4.660 -0.003 0.000 0.337 185 W C 2.002 178.557 176.519 0.058 0.000 1.321 185 W CA -0.413 56.999 57.345 0.111 0.000 1.267 185 W CB 0.255 29.762 29.460 0.078 0.000 1.187 185 W HN 0.849 nan 8.180 nan 0.000 0.565 186 T N -0.632 114.094 114.554 0.287 0.000 2.904 186 T HA -0.139 4.209 4.350 -0.003 0.000 0.267 186 T C 0.597 175.353 174.700 0.092 0.000 1.059 186 T CA 0.824 63.018 62.100 0.156 0.000 1.137 186 T CB -0.042 68.896 68.868 0.116 0.000 0.879 186 T HN 0.520 nan 8.240 nan 0.000 0.467 187 Q N 2.804 122.634 119.800 0.050 0.000 2.506 187 Q HA 0.370 4.708 4.340 -0.003 0.000 0.242 187 Q C -2.781 173.111 176.000 -0.180 0.000 1.060 187 Q CA -2.464 53.281 55.803 -0.097 0.000 0.826 187 Q CB 1.680 30.293 28.738 -0.208 0.000 1.169 187 Q HN 0.384 nan 8.270 nan 0.000 0.521 188 P HA 0.035 nan 4.420 nan 0.000 0.274 188 P C -0.624 176.573 177.300 -0.172 0.000 1.231 188 P CA -0.134 62.993 63.100 0.045 0.000 0.790 188 P CB 0.660 32.456 31.700 0.159 0.000 0.951 189 F N 0.397 120.276 119.950 -0.118 0.000 2.450 189 F HA 0.092 4.617 4.527 -0.004 0.000 0.339 189 F C 1.445 177.203 175.800 -0.069 0.000 1.146 189 F CA 0.351 58.261 58.000 -0.150 0.000 1.267 189 F CB 0.122 39.015 39.000 -0.179 0.000 1.178 189 F HN 0.270 nan 8.300 nan 0.000 0.585 190 D N 2.036 122.494 120.400 0.095 0.000 2.336 190 D HA 0.175 4.813 4.640 -0.003 0.000 0.249 190 D C 0.946 177.282 176.300 0.059 0.000 1.213 190 D CA 0.100 54.127 54.000 0.044 0.000 0.870 190 D CB 0.640 41.438 40.800 -0.005 0.000 1.076 190 D HN 0.442 nan 8.370 nan 0.000 0.483 191 L N 3.461 124.718 121.223 0.057 0.000 2.043 191 L HA -0.213 4.125 4.340 -0.003 0.000 0.212 191 L C 2.316 179.205 176.870 0.031 0.000 1.075 191 L CA 1.547 56.416 54.840 0.048 0.000 0.752 191 L CB -0.339 41.747 42.059 0.044 0.000 0.891 191 L HN 0.566 nan 8.230 nan 0.000 0.432 192 A N -1.416 121.418 122.820 0.024 0.000 2.015 192 A HA -0.144 4.174 4.320 -0.003 0.000 0.219 192 A C 2.396 179.991 177.584 0.019 0.000 1.163 192 A CA 1.773 53.820 52.037 0.018 0.000 0.646 192 A CB -0.393 18.615 19.000 0.013 0.000 0.806 192 A HN 0.381 nan 8.150 nan 0.000 0.448 193 S N -0.173 115.538 115.700 0.018 0.000 2.522 193 S HA 0.010 4.478 4.470 -0.003 0.000 0.227 193 S C 0.716 175.334 174.600 0.029 0.000 0.986 193 S CA 0.389 58.599 58.200 0.017 0.000 0.929 193 S CB -0.217 62.979 63.200 -0.007 0.000 0.769 193 S HN 0.592 nan 8.310 nan 0.000 0.529 194 T N 4.030 118.599 114.554 0.026 0.000 2.853 194 T HA 0.256 4.604 4.350 -0.003 0.000 0.298 194 T C 0.254 174.973 174.700 0.031 0.000 0.978 194 T CA 0.180 62.293 62.100 0.023 0.000 1.152 194 T CB 0.305 69.178 68.868 0.008 0.000 0.914 194 T HN 0.088 nan 8.240 nan 0.000 0.539 195 R N 2.000 122.526 120.500 0.044 0.000 2.808 195 R HA 0.329 4.667 4.340 -0.003 0.000 0.272 195 R C -0.553 175.767 176.300 0.033 0.000 0.995 195 R CA -0.940 55.184 56.100 0.040 0.000 0.917 195 R CB 1.327 31.659 30.300 0.053 0.000 1.217 195 R HN 0.563 nan 8.270 nan 0.000 0.471 196 E N 2.256 122.468 120.200 0.020 0.000 2.257 196 E HA 0.118 4.466 4.350 -0.003 0.000 0.278 196 E C -0.350 176.256 176.600 0.009 0.000 1.049 196 E CA 0.334 56.741 56.400 0.012 0.000 0.876 196 E CB 1.056 30.759 29.700 0.004 0.000 1.035 196 E HN 0.310 nan 8.360 nan 0.000 0.419 197 E N 1.904 122.109 120.200 0.008 0.000 2.339 197 E HA 0.284 4.631 4.350 -0.003 0.000 0.262 197 E C -0.596 175.977 176.600 -0.045 0.000 0.934 197 E CA -1.023 55.369 56.400 -0.014 0.000 0.802 197 E CB 1.357 31.055 29.700 -0.004 0.000 1.275 197 E HN 0.256 nan 8.360 nan 0.000 0.427 198 N N 1.220 119.843 118.700 -0.128 0.000 2.470 198 N HA 0.147 4.885 4.740 -0.003 0.000 0.268 198 N C -1.210 174.081 175.510 -0.365 0.000 1.136 198 N CA 0.210 53.077 53.050 -0.306 0.000 0.961 198 N CB 0.216 38.387 38.487 -0.527 0.000 1.067 198 N HN 0.301 nan 8.380 nan 0.000 0.468 199 F N 3.301 123.022 119.950 -0.381 0.000 2.402 199 F HA 0.318 4.843 4.527 -0.003 0.000 0.355 199 F C -0.807 174.833 175.800 -0.267 0.000 1.123 199 F CA -0.947 56.914 58.000 -0.232 0.000 1.021 199 F CB 0.436 39.413 39.000 -0.039 0.000 1.160 199 F HN 0.368 nan 8.300 nan 0.000 0.451 200 Y N 6.336 126.514 120.300 -0.203 0.000 2.600 200 Y HA 0.244 4.792 4.550 -0.003 0.000 0.351 200 Y C 0.938 176.820 175.900 -0.029 0.000 1.042 200 Y CA -0.504 57.549 58.100 -0.079 0.000 1.333 200 Y CB 0.469 38.859 38.460 -0.118 0.000 1.172 200 Y HN 0.450 nan 8.280 nan 0.000 0.517 201 V N 1.723 121.805 119.914 0.279 0.000 2.255 201 V HA -0.142 3.976 4.120 -0.003 0.000 0.243 201 V C 0.731 176.937 176.094 0.188 0.000 1.038 201 V CA 1.601 64.081 62.300 0.300 0.000 1.008 201 V CB -0.147 31.838 31.823 0.270 0.000 0.645 201 V HN 0.655 nan 8.190 nan 0.000 0.449 202 D N -1.725 118.768 120.400 0.154 0.000 2.727 202 D HA 0.285 4.922 4.640 -0.003 0.000 0.264 202 D C 0.611 176.968 176.300 0.096 0.000 1.101 202 D CA -0.530 53.535 54.000 0.108 0.000 1.122 202 D CB 1.404 42.257 40.800 0.088 0.000 1.390 202 D HN -0.039 nan 8.370 nan 0.000 0.606 203 E N -0.654 119.583 120.200 0.061 0.000 2.418 203 E HA -0.052 4.296 4.350 -0.003 0.000 0.197 203 E C 1.002 177.634 176.600 0.053 0.000 1.026 203 E CA 0.850 57.275 56.400 0.042 0.000 0.862 203 E CB 0.216 29.929 29.700 0.022 0.000 0.799 203 E HN 0.265 nan 8.360 nan 0.000 0.518 204 T N -1.327 113.265 114.554 0.064 0.000 3.111 204 T HA 0.176 4.524 4.350 -0.003 0.000 0.284 204 T C -0.558 174.186 174.700 0.072 0.000 0.983 204 T CA -0.132 62.004 62.100 0.060 0.000 0.900 204 T CB 0.272 69.167 68.868 0.044 0.000 1.132 204 T HN -0.077 nan 8.240 nan 0.000 0.531 205 T N 1.635 116.246 114.554 0.095 0.000 2.890 205 T HA 0.656 5.004 4.350 -0.003 0.000 0.295 205 T C -1.081 173.698 174.700 0.131 0.000 0.993 205 T CA -0.499 61.662 62.100 0.101 0.000 0.979 205 T CB 1.819 70.747 68.868 0.100 0.000 0.967 205 T HN -0.001 nan 8.240 nan 0.000 0.441 206 V N 3.849 123.823 119.914 0.099 0.000 2.588 206 V HA 0.744 4.862 4.120 -0.003 0.000 0.304 206 V C -0.047 176.068 176.094 0.034 0.000 1.042 206 V CA -0.922 61.414 62.300 0.059 0.000 0.877 206 V CB 1.791 33.634 31.823 0.032 0.000 0.996 206 V HN 0.838 nan 8.190 nan 0.000 0.425 207 V N 1.477 121.417 119.914 0.043 0.000 2.919 207 V HA 0.744 4.862 4.120 -0.003 0.000 0.316 207 V C -0.499 175.598 176.094 0.006 0.000 1.077 207 V CA -1.041 61.277 62.300 0.029 0.000 0.977 207 V CB 2.160 34.003 31.823 0.034 0.000 1.039 207 V HN 0.658 nan 8.190 nan 0.000 0.441 208 K N 1.691 122.087 120.400 -0.006 0.000 2.201 208 K HA 0.759 5.077 4.320 -0.003 0.000 0.278 208 K C -1.018 175.577 176.600 -0.008 0.000 1.027 208 K CA -0.337 55.944 56.287 -0.011 0.000 0.909 208 K CB 1.832 34.324 32.500 -0.013 0.000 1.062 208 K HN 0.706 nan 8.250 nan 0.000 0.465 209 V N 4.597 124.513 119.914 0.004 0.000 2.888 209 V HA 0.367 4.485 4.120 -0.003 0.000 0.309 209 V C -2.632 173.466 176.094 0.006 0.000 1.114 209 V CA -2.562 59.735 62.300 -0.004 0.000 0.940 209 V CB 2.619 34.437 31.823 -0.009 0.000 1.021 209 V HN 0.496 nan 8.190 nan 0.000 0.426 210 P HA 0.256 nan 4.420 nan 0.000 0.270 210 P C -0.868 176.429 177.300 -0.004 0.000 1.242 210 P CA 0.016 63.114 63.100 -0.005 0.000 0.768 210 P CB 0.317 32.008 31.700 -0.016 0.000 0.820 211 M N 5.376 124.987 119.600 0.018 0.000 2.129 211 M HA 0.360 4.838 4.480 -0.003 0.000 0.348 211 M C -0.602 175.701 176.300 0.004 0.000 1.116 211 M CA -0.295 55.027 55.300 0.036 0.000 1.022 211 M CB 0.503 33.169 32.600 0.109 0.000 1.599 211 M HN 0.227 nan 8.290 nan 0.000 0.449 212 M N 4.474 124.001 119.600 -0.122 0.000 2.288 212 M HA 0.533 5.011 4.480 -0.003 0.000 0.334 212 M C -1.125 175.102 176.300 -0.122 0.000 1.150 212 M CA -0.782 54.392 55.300 -0.209 0.000 1.118 212 M CB 1.243 33.466 32.600 -0.628 0.000 1.501 212 M HN 0.692 nan 8.290 nan 0.000 0.462 213 L N 2.830 124.048 121.223 -0.009 0.000 2.464 213 L HA 0.478 4.816 4.340 -0.003 0.000 0.266 213 L C -1.540 175.331 176.870 0.002 0.000 0.965 213 L CA -0.053 54.707 54.840 -0.132 0.000 0.833 213 L CB 2.246 44.105 42.059 -0.334 0.000 1.296 213 L HN 0.811 nan 8.230 nan 0.000 0.405 214 Q N 2.253 121.975 119.800 -0.130 0.000 2.345 214 Q HA 0.633 4.971 4.340 -0.003 0.000 0.275 214 Q C -1.507 174.338 176.000 -0.259 0.000 1.063 214 Q CA -0.752 54.907 55.803 -0.240 0.000 0.819 214 Q CB 1.942 30.410 28.738 -0.450 0.000 1.356 214 Q HN 0.550 nan 8.270 nan 0.000 0.418 215 S N 1.677 117.258 115.700 -0.198 0.000 2.488 215 S HA 0.582 5.049 4.470 -0.003 0.000 0.310 215 S C -1.188 173.324 174.600 -0.147 0.000 1.093 215 S CA -0.121 57.982 58.200 -0.161 0.000 1.129 215 S CB 0.143 63.273 63.200 -0.117 0.000 0.989 215 S HN 0.591 nan 8.310 nan 0.000 0.479 216 S N 2.115 117.718 115.700 -0.162 0.000 2.661 216 S HA 0.478 4.946 4.470 -0.003 0.000 0.285 216 S C -0.688 173.845 174.600 -0.111 0.000 1.138 216 S CA -0.825 57.289 58.200 -0.144 0.000 0.855 216 S CB 1.688 64.771 63.200 -0.195 0.000 1.136 216 S HN 0.529 nan 8.310 nan 0.000 0.484 217 T N 2.135 116.639 114.554 -0.085 0.000 2.743 217 T HA 0.449 4.797 4.350 -0.003 0.000 0.290 217 T C -0.319 174.349 174.700 -0.053 0.000 0.908 217 T CA 0.278 62.344 62.100 -0.056 0.000 1.092 217 T CB -0.849 67.997 68.868 -0.037 0.000 0.882 217 T HN 0.307 nan 8.240 nan 0.000 0.531 218 I N 1.745 122.293 120.570 -0.037 0.000 2.608 218 I HA 0.266 4.434 4.170 -0.003 0.000 0.295 218 I C 0.418 176.568 176.117 0.055 0.000 1.049 218 I CA -0.910 60.380 61.300 -0.017 0.000 1.063 218 I CB 2.111 40.085 38.000 -0.043 0.000 1.248 218 I HN 0.374 nan 8.210 nan 0.000 0.424 219 S N 4.573 120.310 115.700 0.062 0.000 2.509 219 S HA 0.101 4.569 4.470 -0.003 0.000 0.287 219 S C -0.852 173.846 174.600 0.164 0.000 1.248 219 S CA 0.219 58.479 58.200 0.100 0.000 1.089 219 S CB -0.360 62.884 63.200 0.074 0.000 0.900 219 S HN 0.416 nan 8.310 nan 0.000 0.496 220 Y N 3.591 123.914 120.300 0.039 0.000 2.512 220 Y HA 0.689 5.237 4.550 -0.003 0.000 0.348 220 Y C -1.245 174.684 175.900 0.048 0.000 0.990 220 Y CA -1.377 56.748 58.100 0.043 0.000 1.033 220 Y CB 1.141 39.622 38.460 0.034 0.000 1.259 220 Y HN 0.493 nan 8.280 nan 0.000 0.461 221 L N 6.193 126.930 121.223 -0.809 0.000 2.528 221 L HA 0.320 4.658 4.340 -0.003 0.000 0.267 221 L C -1.923 174.452 176.870 -0.826 0.000 0.961 221 L CA -0.427 54.040 54.840 -0.621 0.000 0.866 221 L CB 1.300 43.206 42.059 -0.254 0.000 1.248 221 L HN 0.820 nan 8.230 nan 0.000 0.404 222 H N 3.980 122.669 119.070 -0.635 0.000 2.846 222 H HA 0.239 4.793 4.556 -0.003 0.000 0.278 222 H C -1.046 174.205 175.328 -0.128 0.000 1.117 222 H CA -0.197 55.689 56.048 -0.270 0.000 1.406 222 H CB 0.779 30.545 29.762 0.006 0.000 1.445 222 H HN 0.667 nan 8.280 nan 0.000 0.469 223 D N 2.656 122.944 120.400 -0.186 0.000 2.390 223 D HA -0.052 4.586 4.640 -0.003 0.000 0.249 223 D C 0.946 177.297 176.300 0.086 0.000 1.144 223 D CA 0.168 54.169 54.000 0.002 0.000 0.880 223 D CB 1.078 41.906 40.800 0.046 0.000 1.182 223 D HN 0.649 nan 8.370 nan 0.000 0.451 224 S N 2.185 117.969 115.700 0.140 0.000 2.503 224 S HA 0.055 4.523 4.470 -0.003 0.000 0.215 224 S C 1.160 175.811 174.600 0.084 0.000 1.003 224 S CA -0.034 58.247 58.200 0.135 0.000 0.910 224 S CB 0.119 63.386 63.200 0.112 0.000 0.790 224 S HN 0.545 nan 8.310 nan 0.000 0.514 225 E N 0.428 120.673 120.200 0.075 0.000 2.452 225 E HA 0.353 4.701 4.350 -0.003 0.000 0.197 225 E C -0.345 176.282 176.600 0.046 0.000 1.022 225 E CA 0.170 56.599 56.400 0.047 0.000 0.890 225 E CB 0.352 30.069 29.700 0.028 0.000 0.918 225 E HN 0.468 nan 8.360 nan 0.000 0.496 226 L N 1.349 122.615 121.223 0.071 0.000 2.422 226 L HA 0.349 4.686 4.340 -0.003 0.000 0.264 226 L C -2.435 174.451 176.870 0.027 0.000 0.984 226 L CA -2.351 52.530 54.840 0.067 0.000 0.819 226 L CB 2.371 44.514 42.059 0.141 0.000 1.330 226 L HN -0.228 nan 8.230 nan 0.000 0.410 227 P HA 0.088 nan 4.420 nan 0.000 0.241 227 P C -0.823 176.445 177.300 -0.054 0.000 1.760 227 P CA -0.100 62.986 63.100 -0.024 0.000 1.081 227 P CB -0.336 31.363 31.700 -0.003 0.000 1.975 228 C N 0.103 119.329 119.300 -0.123 0.000 3.311 228 C HA 0.625 5.083 4.460 -0.003 0.000 0.325 228 C C -1.273 173.533 174.990 -0.307 0.000 1.352 228 C CA -0.782 58.143 59.018 -0.156 0.000 1.308 228 C CB 1.751 29.451 27.740 -0.067 0.000 1.619 228 C HN 0.357 nan 8.230 nan 0.000 0.469 229 Q N 1.001 120.635 119.800 -0.277 0.000 2.394 229 Q HA 0.874 5.212 4.340 -0.003 0.000 0.273 229 Q C -1.062 174.798 176.000 -0.234 0.000 1.089 229 Q CA -0.639 54.978 55.803 -0.310 0.000 0.812 229 Q CB 2.642 31.286 28.738 -0.157 0.000 1.353 229 Q HN 0.849 nan 8.270 nan 0.000 0.438 230 L N -1.549 119.490 121.223 -0.307 0.000 2.469 230 L HA 0.936 5.274 4.340 -0.003 0.000 0.256 230 L C -0.903 175.959 176.870 -0.013 0.000 1.006 230 L CA -1.166 53.593 54.840 -0.135 0.000 0.832 230 L CB 1.658 43.465 42.059 -0.420 0.000 1.421 230 L HN 0.438 nan 8.230 nan 0.000 0.410 231 V N -1.090 118.945 119.914 0.202 0.000 3.001 231 V HA 0.677 4.795 4.120 -0.003 0.000 0.314 231 V C -0.939 175.263 176.094 0.179 0.000 1.099 231 V CA -0.507 61.918 62.300 0.208 0.000 0.989 231 V CB 1.704 33.678 31.823 0.251 0.000 1.040 231 V HN 1.051 nan 8.190 nan 0.000 0.434 232 Q N 2.087 121.926 119.800 0.065 0.000 2.340 232 Q HA 0.743 5.081 4.340 -0.003 0.000 0.268 232 Q C -1.500 174.462 176.000 -0.063 0.000 1.031 232 Q CA -0.702 55.023 55.803 -0.131 0.000 0.804 232 Q CB 2.157 30.718 28.738 -0.295 0.000 1.286 232 Q HN 0.914 nan 8.270 nan 0.000 0.448 233 M N 2.466 122.031 119.600 -0.058 0.000 2.530 233 M HA 0.482 4.960 4.480 -0.003 0.000 0.307 233 M C -0.954 175.327 176.300 -0.031 0.000 1.161 233 M CA -0.995 54.297 55.300 -0.013 0.000 0.903 233 M CB 2.047 34.662 32.600 0.025 0.000 1.711 233 M HN 0.514 nan 8.290 nan 0.000 0.451 234 N N 0.673 119.384 118.700 0.019 0.000 2.472 234 N HA 0.526 5.264 4.740 -0.003 0.000 0.289 234 N C -1.592 173.929 175.510 0.018 0.000 1.156 234 N CA -0.259 52.828 53.050 0.060 0.000 0.940 234 N CB 0.951 39.531 38.487 0.155 0.000 1.200 234 N HN 0.423 nan 8.380 nan 0.000 0.511 235 Y N -0.781 119.676 120.300 0.262 0.000 2.488 235 Y HA 0.344 4.892 4.550 -0.004 0.000 0.325 235 Y C 0.536 176.535 175.900 0.164 0.000 1.204 235 Y CA -1.118 57.102 58.100 0.200 0.000 1.229 235 Y CB 0.885 39.458 38.460 0.189 0.000 1.274 235 Y HN 0.057 nan 8.280 nan 0.000 0.493 236 V N 2.815 122.902 119.914 0.288 0.000 2.458 236 V HA 0.327 4.445 4.120 -0.003 0.000 0.287 236 V C 0.687 176.890 176.094 0.182 0.000 1.009 236 V CA 1.362 63.772 62.300 0.183 0.000 1.091 236 V CB -0.571 31.324 31.823 0.119 0.000 0.960 236 V HN 1.061 nan 8.190 nan 0.000 0.476 237 G N 5.267 114.167 108.800 0.167 0.000 2.408 237 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.204 237 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.204 237 G C 0.308 175.340 174.900 0.219 0.000 1.186 237 G CA 0.122 45.318 45.100 0.160 0.000 1.139 237 G HN 0.489 nan 8.290 nan 0.000 0.563 238 N N 1.435 120.281 118.700 0.244 0.000 2.236 238 N HA 0.205 4.943 4.740 -0.003 0.000 0.196 238 N C 1.142 176.887 175.510 0.392 0.000 1.114 238 N CA 0.892 54.144 53.050 0.337 0.000 0.859 238 N CB 0.529 39.206 38.487 0.317 0.000 0.982 238 N HN 0.903 nan 8.380 nan 0.000 0.493 239 G N -0.116 108.902 108.800 0.363 0.000 2.442 239 G HA2 0.304 4.262 3.960 -0.003 0.000 0.249 239 G HA3 0.304 4.262 3.960 -0.003 0.000 0.249 239 G C -0.312 174.882 174.900 0.490 0.000 1.263 239 G CA 0.325 45.656 45.100 0.384 0.000 0.846 239 G HN 0.006 nan 8.290 nan 0.000 0.555 240 T N -0.626 114.117 114.554 0.314 0.000 2.868 240 T HA 0.548 4.896 4.350 -0.003 0.000 0.306 240 T C -1.326 173.441 174.700 0.111 0.000 1.224 240 T CA -0.468 61.693 62.100 0.101 0.000 1.012 240 T CB 1.902 70.633 68.868 -0.228 0.000 1.221 240 T HN 0.941 nan 8.240 nan 0.000 0.499 241 V N 4.090 123.959 119.914 -0.076 0.000 2.760 241 V HA 0.775 4.893 4.120 -0.003 0.000 0.309 241 V C -1.828 174.082 176.094 -0.307 0.000 1.077 241 V CA -0.811 61.447 62.300 -0.069 0.000 0.910 241 V CB 1.552 33.365 31.823 -0.016 0.000 1.008 241 V HN 0.865 nan 8.190 nan 0.000 0.424 242 F N 6.272 126.196 119.950 -0.042 0.000 2.427 242 F HA 0.641 5.166 4.527 -0.004 0.000 0.346 242 F C -0.351 175.341 175.800 -0.180 0.000 1.120 242 F CA -0.486 57.505 58.000 -0.015 0.000 1.033 242 F CB 1.547 40.624 39.000 0.129 0.000 1.126 242 F HN 0.355 nan 8.300 nan 0.000 0.462 243 F N 4.739 124.843 119.950 0.256 0.000 2.388 243 F HA 0.471 4.996 4.527 -0.003 0.000 0.358 243 F C -0.242 175.763 175.800 0.341 0.000 1.122 243 F CA -0.874 57.239 58.000 0.188 0.000 1.056 243 F CB 0.860 39.682 39.000 -0.296 0.000 1.155 243 F HN 0.108 nan 8.300 nan 0.000 0.461 244 I N 5.334 126.238 120.570 0.556 0.000 2.355 244 I HA 0.293 4.461 4.170 -0.003 0.000 0.288 244 I C -0.724 175.696 176.117 0.506 0.000 0.999 244 I CA -0.881 60.629 61.300 0.350 0.000 1.163 244 I CB 1.435 39.507 38.000 0.120 0.000 1.316 244 I HN 0.416 nan 8.210 nan 0.000 0.454 245 L N 9.849 131.228 121.223 0.261 0.000 2.276 245 L HA 0.617 4.955 4.340 -0.003 0.000 0.286 245 L C -2.526 174.337 176.870 -0.012 0.000 1.024 245 L CA -1.442 53.422 54.840 0.040 0.000 0.826 245 L CB 1.243 42.983 42.059 -0.532 0.000 1.211 245 L HN 0.260 nan 8.230 nan 0.000 0.422 246 P HA 0.205 nan 4.420 nan 0.000 0.277 246 P C -1.171 176.118 177.300 -0.019 0.000 1.240 246 P CA -0.369 62.747 63.100 0.026 0.000 0.798 246 P CB 0.521 32.268 31.700 0.078 0.000 0.979 247 D N 0.870 121.250 120.400 -0.033 0.000 2.423 247 D HA 0.006 4.644 4.640 -0.003 0.000 0.238 247 D C 0.551 176.839 176.300 -0.021 0.000 1.142 247 D CA 0.203 54.180 54.000 -0.039 0.000 0.884 247 D CB 0.398 41.178 40.800 -0.033 0.000 1.199 247 D HN 0.250 nan 8.370 nan 0.000 0.438 248 K N 0.515 120.894 120.400 -0.034 0.000 2.491 248 K HA 0.087 4.405 4.320 -0.003 0.000 0.279 248 K C 0.894 177.486 176.600 -0.013 0.000 1.026 248 K CA 0.793 57.062 56.287 -0.030 0.000 1.070 248 K CB 0.017 32.483 32.500 -0.056 0.000 0.887 248 K HN 0.687 nan 8.250 nan 0.000 0.481 249 G N 3.723 112.525 108.800 0.003 0.000 2.143 249 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.248 249 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.248 249 G C 0.274 175.183 174.900 0.016 0.000 0.991 249 G CA 0.189 45.295 45.100 0.010 0.000 0.689 249 G HN 0.628 nan 8.290 nan 0.000 0.522 250 K N -0.768 119.645 120.400 0.021 0.000 2.564 250 K HA 0.355 4.673 4.320 -0.003 0.000 0.205 250 K C 1.780 178.407 176.600 0.046 0.000 1.053 250 K CA 0.099 56.402 56.287 0.026 0.000 1.072 250 K CB 0.309 32.819 32.500 0.017 0.000 0.822 250 K HN 0.409 nan 8.250 nan 0.000 0.497 251 M N 1.502 121.137 119.600 0.058 0.000 2.108 251 M HA -0.094 4.384 4.480 -0.003 0.000 0.261 251 M C 0.924 177.270 176.300 0.077 0.000 1.066 251 M CA 1.907 57.258 55.300 0.085 0.000 1.107 251 M CB -0.185 32.471 32.600 0.093 0.000 1.356 251 M HN -0.002 nan 8.290 nan 0.000 0.406 252 N N -0.883 117.846 118.700 0.049 0.000 2.457 252 N HA -0.018 4.720 4.740 -0.003 0.000 0.180 252 N C 1.404 176.929 175.510 0.026 0.000 1.050 252 N CA 1.564 54.633 53.050 0.032 0.000 0.906 252 N CB -0.461 38.035 38.487 0.014 0.000 0.968 252 N HN 0.473 nan 8.380 nan 0.000 0.445 253 T N 0.101 114.672 114.554 0.029 0.000 2.857 253 T HA 0.019 4.367 4.350 -0.003 0.000 0.266 253 T C 2.120 176.840 174.700 0.032 0.000 1.048 253 T CA 0.552 62.664 62.100 0.021 0.000 1.139 253 T CB 0.003 68.882 68.868 0.019 0.000 0.874 253 T HN -0.035 nan 8.240 nan 0.000 0.455 254 V N 1.096 121.049 119.914 0.065 0.000 2.488 254 V HA 0.005 4.123 4.120 -0.003 0.000 0.246 254 V C 2.344 178.495 176.094 0.095 0.000 1.046 254 V CA 1.039 63.403 62.300 0.107 0.000 1.053 254 V CB -0.482 31.433 31.823 0.153 0.000 0.679 254 V HN 0.440 nan 8.190 nan 0.000 0.458 255 I N 0.705 121.336 120.570 0.102 0.000 2.226 255 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 255 I C 2.635 178.772 176.117 0.033 0.000 1.100 255 I CA 1.484 62.857 61.300 0.123 0.000 1.374 255 I CB -0.470 37.623 38.000 0.154 0.000 1.057 255 I HN 0.290 nan 8.210 nan 0.000 0.413 256 A N 0.466 123.283 122.820 -0.004 0.000 2.070 256 A HA -0.109 4.209 4.320 -0.003 0.000 0.220 256 A C 2.315 179.844 177.584 -0.091 0.000 1.159 256 A CA 1.737 53.745 52.037 -0.048 0.000 0.656 256 A CB -0.579 18.396 19.000 -0.041 0.000 0.800 256 A HN 0.457 nan 8.150 nan 0.000 0.453 257 A N -0.827 121.931 122.820 -0.104 0.000 2.218 257 A HA 0.417 4.735 4.320 -0.003 0.000 0.209 257 A C 0.792 178.180 177.584 -0.327 0.000 1.168 257 A CA -0.295 51.635 52.037 -0.178 0.000 0.804 257 A CB -0.307 18.608 19.000 -0.142 0.000 0.834 257 A HN 0.401 nan 8.150 nan 0.000 0.482 258 L N 2.288 123.300 121.223 -0.352 0.000 2.530 258 L HA 0.213 4.551 4.340 -0.003 0.000 0.273 258 L C 0.472 176.812 176.870 -0.884 0.000 1.141 258 L CA 0.065 54.495 54.840 -0.684 0.000 0.905 258 L CB -0.021 41.664 42.059 -0.623 0.000 1.202 258 L HN 0.505 nan 8.230 nan 0.000 0.473 259 S N 2.131 117.265 115.700 -0.942 0.000 2.672 259 S HA 0.422 4.890 4.470 -0.003 0.000 0.271 259 S C 0.499 174.892 174.600 -0.345 0.000 1.171 259 S CA -1.103 56.781 58.200 -0.527 0.000 0.817 259 S CB 1.674 64.702 63.200 -0.286 0.000 1.150 259 S HN 0.527 nan 8.310 nan 0.000 0.478 260 R N 0.437 120.907 120.500 -0.050 0.000 2.105 260 R HA -0.091 4.247 4.340 -0.003 0.000 0.239 260 R C 1.015 177.187 176.300 -0.212 0.000 1.135 260 R CA 2.274 58.329 56.100 -0.075 0.000 0.967 260 R CB -0.685 29.589 30.300 -0.043 0.000 0.861 260 R HN 0.727 nan 8.270 nan 0.000 0.442 261 D N -1.088 119.179 120.400 -0.223 0.000 2.178 261 D HA -0.094 4.544 4.640 -0.003 0.000 0.202 261 D C 1.610 177.698 176.300 -0.353 0.000 0.974 261 D CA 1.368 55.222 54.000 -0.242 0.000 0.841 261 D CB 0.078 40.762 40.800 -0.194 0.000 0.953 261 D HN 0.147 nan 8.370 nan 0.000 0.478 262 T N 0.663 114.913 114.554 -0.506 0.000 2.770 262 T HA -0.067 4.281 4.350 -0.003 0.000 0.263 262 T C 2.164 176.268 174.700 -0.993 0.000 1.039 262 T CA 0.886 62.487 62.100 -0.833 0.000 1.142 262 T CB -0.271 67.985 68.868 -1.019 0.000 0.868 262 T HN 0.319 nan 8.240 nan 0.000 0.435 263 I N 0.199 120.324 120.570 -0.742 0.000 2.394 263 I HA -0.084 4.084 4.170 -0.003 0.000 0.251 263 I C 2.176 178.109 176.117 -0.307 0.000 1.136 263 I CA 1.276 62.264 61.300 -0.519 0.000 1.425 263 I CB -0.489 37.235 38.000 -0.460 0.000 1.079 263 I HN 0.023 nan 8.210 nan 0.000 0.425 264 N N 1.721 120.246 118.700 -0.292 0.000 2.084 264 N HA -0.180 4.558 4.740 -0.003 0.000 0.190 264 N C 2.048 177.488 175.510 -0.118 0.000 1.030 264 N CA 1.432 54.366 53.050 -0.193 0.000 0.849 264 N CB -0.409 37.959 38.487 -0.199 0.000 1.012 264 N HN 0.456 nan 8.380 nan 0.000 0.423 265 R N -0.357 120.041 120.500 -0.170 0.000 2.092 265 R HA -0.108 4.230 4.340 -0.003 0.000 0.231 265 R C 1.898 178.238 176.300 0.066 0.000 1.119 265 R CA 0.980 57.026 56.100 -0.090 0.000 0.970 265 R CB -0.101 30.102 30.300 -0.162 0.000 0.864 265 R HN 0.264 nan 8.270 nan 0.000 0.440 266 W N 0.097 121.343 121.300 -0.090 0.000 2.355 266 W HA -0.070 4.588 4.660 -0.003 0.000 0.309 266 W C 2.577 179.113 176.519 0.029 0.000 1.206 266 W CA 1.044 58.359 57.345 -0.051 0.000 1.284 266 W CB -1.380 28.011 29.460 -0.114 0.000 1.145 266 W HN 0.120 nan 8.180 nan 0.000 0.502 267 S N 0.317 116.176 115.700 0.264 0.000 2.374 267 S HA -0.189 4.279 4.470 -0.003 0.000 0.227 267 S C 2.012 176.702 174.600 0.151 0.000 1.037 267 S CA 2.178 60.516 58.200 0.229 0.000 1.024 267 S CB -0.486 62.806 63.200 0.155 0.000 0.861 267 S HN 0.096 nan 8.310 nan 0.000 0.456 268 A N 0.169 123.049 122.820 0.100 0.000 2.014 268 A HA 0.250 4.568 4.320 -0.003 0.000 0.218 268 A C 2.227 179.861 177.584 0.084 0.000 1.163 268 A CA 1.476 53.556 52.037 0.072 0.000 0.652 268 A CB -1.164 17.858 19.000 0.036 0.000 0.808 268 A HN 0.635 nan 8.150 nan 0.000 0.449 269 G N -0.742 108.126 108.800 0.112 0.000 2.539 269 G HA2 0.247 4.205 3.960 -0.003 0.000 0.215 269 G HA3 0.247 4.205 3.960 -0.003 0.000 0.215 269 G C 0.601 175.556 174.900 0.092 0.000 1.141 269 G CA -0.239 44.924 45.100 0.104 0.000 0.806 269 G HN 0.380 nan 8.290 nan 0.000 0.533 270 L N 1.779 123.070 121.223 0.113 0.000 2.584 270 L HA 0.277 4.615 4.340 -0.003 0.000 0.272 270 L C 0.513 177.440 176.870 0.095 0.000 1.195 270 L CA 0.120 55.017 54.840 0.096 0.000 0.920 270 L CB 0.910 43.052 42.059 0.137 0.000 1.173 270 L HN 0.013 nan 8.230 nan 0.000 0.489 271 T N 2.071 116.686 114.554 0.102 0.000 2.876 271 T HA 0.328 4.676 4.350 -0.003 0.000 0.289 271 T C -0.154 174.614 174.700 0.114 0.000 1.014 271 T CA -0.611 61.549 62.100 0.101 0.000 0.986 271 T CB 1.259 70.185 68.868 0.096 0.000 1.021 271 T HN 0.490 nan 8.240 nan 0.000 0.458 272 S N 3.300 119.048 115.700 0.079 0.000 2.509 272 S HA 0.414 4.882 4.470 -0.003 0.000 0.287 272 S C -0.220 174.413 174.600 0.055 0.000 1.248 272 S CA -0.258 57.978 58.200 0.061 0.000 1.089 272 S CB 0.028 63.249 63.200 0.037 0.000 0.900 272 S HN 0.710 nan 8.310 nan 0.000 0.496 273 S N 2.315 118.044 115.700 0.048 0.000 2.618 273 S HA 0.381 4.849 4.470 -0.003 0.000 0.277 273 S C -1.106 173.467 174.600 -0.045 0.000 1.138 273 S CA -1.020 57.184 58.200 0.006 0.000 0.844 273 S CB 1.290 64.499 63.200 0.015 0.000 1.127 273 S HN 0.549 nan 8.310 nan 0.000 0.474 274 Q N 1.672 121.426 119.800 -0.077 0.000 2.295 274 Q HA 0.455 4.793 4.340 -0.003 0.000 0.259 274 Q C -0.980 174.936 176.000 -0.139 0.000 0.976 274 Q CA -0.007 55.740 55.803 -0.093 0.000 0.923 274 Q CB 1.118 29.811 28.738 -0.077 0.000 1.185 274 Q HN 0.456 nan 8.270 nan 0.000 0.410 275 V N 2.972 122.808 119.914 -0.130 0.000 2.577 275 V HA 0.177 4.295 4.120 -0.003 0.000 0.303 275 V C -0.583 175.438 176.094 -0.121 0.000 1.042 275 V CA -0.984 61.231 62.300 -0.142 0.000 0.872 275 V CB 2.251 34.004 31.823 -0.117 0.000 0.998 275 V HN 0.556 nan 8.190 nan 0.000 0.423 276 D N 4.151 124.497 120.400 -0.090 0.000 2.435 276 D HA 0.267 4.905 4.640 -0.003 0.000 0.230 276 D C -0.288 175.942 176.300 -0.116 0.000 1.215 276 D CA -0.031 53.899 54.000 -0.117 0.000 0.947 276 D CB 1.275 42.078 40.800 0.005 0.000 1.048 276 D HN 0.308 nan 8.370 nan 0.000 0.512 277 L N 3.992 125.101 121.223 -0.189 0.000 2.261 277 L HA 0.237 4.575 4.340 -0.003 0.000 0.289 277 L C -1.339 175.474 176.870 -0.095 0.000 1.059 277 L CA -0.460 54.349 54.840 -0.052 0.000 0.816 277 L CB 0.100 42.120 42.059 -0.066 0.000 1.191 277 L HN 0.162 nan 8.230 nan 0.000 0.431 278 Y N 6.588 126.945 120.300 0.096 0.000 2.417 278 Y HA 0.512 5.060 4.550 -0.003 0.000 0.336 278 Y C 0.183 176.082 175.900 -0.001 0.000 0.961 278 Y CA -0.696 57.429 58.100 0.042 0.000 1.215 278 Y CB 0.830 39.307 38.460 0.028 0.000 1.120 278 Y HN 0.554 nan 8.280 nan 0.000 0.499 279 I N 2.791 123.277 120.570 -0.141 0.000 2.569 279 I HA 0.766 4.934 4.170 -0.003 0.000 0.296 279 I C -2.938 173.010 176.117 -0.282 0.000 1.028 279 I CA -2.876 58.209 61.300 -0.358 0.000 1.082 279 I CB 2.669 40.173 38.000 -0.826 0.000 1.264 279 I HN 0.165 nan 8.210 nan 0.000 0.429 280 P HA 0.177 nan 4.420 nan 0.000 0.276 280 P C -1.221 176.040 177.300 -0.065 0.000 1.244 280 P CA -0.487 62.600 63.100 -0.022 0.000 0.801 280 P CB 0.719 32.489 31.700 0.115 0.000 1.006 281 K N 1.119 121.482 120.400 -0.063 0.000 2.110 281 K HA 0.223 4.541 4.320 -0.003 0.000 0.260 281 K C -0.345 176.237 176.600 -0.030 0.000 1.126 281 K CA -0.341 55.917 56.287 -0.048 0.000 1.005 281 K CB -0.409 32.064 32.500 -0.045 0.000 1.336 281 K HN 0.232 nan 8.250 nan 0.000 0.369 282 V N 2.758 122.672 119.914 -0.001 0.000 2.508 282 V HA 0.041 4.159 4.120 -0.003 0.000 0.281 282 V C 0.394 176.449 176.094 -0.065 0.000 1.041 282 V CA 0.053 62.340 62.300 -0.022 0.000 1.016 282 V CB 1.178 33.026 31.823 0.042 0.000 0.984 282 V HN 0.580 nan 8.190 nan 0.000 0.478 283 T N 7.039 121.541 114.554 -0.087 0.000 3.064 283 T HA 0.588 4.936 4.350 -0.003 0.000 0.367 283 T C -0.315 174.320 174.700 -0.108 0.000 1.202 283 T CA -0.164 61.877 62.100 -0.099 0.000 1.133 283 T CB 0.102 68.928 68.868 -0.071 0.000 1.074 283 T HN 0.614 nan 8.240 nan 0.000 0.519 284 I N -0.131 120.351 120.570 -0.147 0.000 2.892 284 I HA 0.962 5.130 4.170 -0.003 0.000 0.306 284 I C -0.282 175.772 176.117 -0.106 0.000 1.078 284 I CA -1.051 60.179 61.300 -0.116 0.000 1.032 284 I CB 2.557 40.495 38.000 -0.103 0.000 1.229 284 I HN 0.492 nan 8.210 nan 0.000 0.435 285 S N 2.054 117.734 115.700 -0.033 0.000 2.618 285 S HA 0.977 5.445 4.470 -0.003 0.000 0.277 285 S C -0.605 174.009 174.600 0.024 0.000 1.138 285 S CA -0.442 57.765 58.200 0.012 0.000 0.844 285 S CB 1.713 64.906 63.200 -0.011 0.000 1.127 285 S HN 1.350 nan 8.310 nan 0.000 0.474 286 G N -0.061 108.735 108.800 -0.006 0.000 2.733 286 G HA2 0.601 4.559 3.960 -0.003 0.000 0.297 286 G HA3 0.601 4.559 3.960 -0.003 0.000 0.297 286 G C -1.851 172.677 174.900 -0.621 0.000 1.422 286 G CA -0.696 44.220 45.100 -0.308 0.000 0.942 286 G HN 1.030 nan 8.290 nan 0.000 0.510 287 V N 1.302 120.736 119.914 -0.799 0.000 2.487 287 V HA 0.574 4.692 4.120 -0.003 0.000 0.298 287 V C -1.341 174.323 176.094 -0.717 0.000 1.028 287 V CA -0.759 61.194 62.300 -0.579 0.000 0.860 287 V CB 0.989 32.671 31.823 -0.234 0.000 0.991 287 V HN 0.669 nan 8.190 nan 0.000 0.427 288 Y N 1.770 122.083 120.300 0.022 0.000 2.346 288 Y HA 0.422 4.970 4.550 -0.003 0.000 0.332 288 Y C 0.028 175.923 175.900 -0.007 0.000 0.985 288 Y CA -0.986 57.130 58.100 0.026 0.000 1.112 288 Y CB 1.412 39.913 38.460 0.068 0.000 1.170 288 Y HN 0.564 nan 8.280 nan 0.000 0.447 289 D N 4.141 124.595 120.400 0.090 0.000 2.338 289 D HA 0.114 4.752 4.640 -0.003 0.000 0.255 289 D C 0.353 176.677 176.300 0.039 0.000 1.237 289 D CA 0.275 54.286 54.000 0.019 0.000 0.883 289 D CB 1.031 41.823 40.800 -0.014 0.000 1.087 289 D HN 0.736 nan 8.370 nan 0.000 0.485 290 L N 3.456 124.701 121.223 0.037 0.000 2.627 290 L HA 0.166 4.504 4.340 -0.003 0.000 0.232 290 L C 2.242 179.123 176.870 0.018 0.000 1.150 290 L CA -0.179 54.689 54.840 0.048 0.000 0.917 290 L CB 0.063 42.169 42.059 0.079 0.000 1.104 290 L HN 0.445 nan 8.230 nan 0.000 0.445 291 G N 0.471 109.221 108.800 -0.084 0.000 2.480 291 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.216 291 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.216 291 G C 1.086 175.844 174.900 -0.235 0.000 1.200 291 G CA 0.779 45.688 45.100 -0.318 0.000 0.782 291 G HN 0.270 nan 8.290 nan 0.000 0.554 292 D N 0.030 120.340 120.400 -0.151 0.000 2.144 292 D HA -0.079 4.559 4.640 -0.003 0.000 0.199 292 D C 2.811 179.065 176.300 -0.077 0.000 0.984 292 D CA 0.777 54.715 54.000 -0.104 0.000 0.834 292 D CB -0.314 40.444 40.800 -0.070 0.000 0.955 292 D HN 0.231 nan 8.370 nan 0.000 0.465 293 V N 0.782 120.663 119.914 -0.055 0.000 2.307 293 V HA -0.197 3.921 4.120 -0.003 0.000 0.245 293 V C 2.650 178.696 176.094 -0.080 0.000 1.045 293 V CA 1.122 63.384 62.300 -0.063 0.000 1.024 293 V CB -0.562 31.238 31.823 -0.039 0.000 0.651 293 V HN 0.173 nan 8.190 nan 0.000 0.449 294 L N -0.272 120.959 121.223 0.013 0.000 2.093 294 L HA -0.149 4.189 4.340 -0.003 0.000 0.208 294 L C 2.630 179.545 176.870 0.076 0.000 1.085 294 L CA 1.582 56.478 54.840 0.093 0.000 0.755 294 L CB -0.561 41.650 42.059 0.253 0.000 0.904 294 L HN 0.383 nan 8.230 nan 0.000 0.435 295 E N -0.374 119.862 120.200 0.060 0.000 2.208 295 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 295 E C 1.912 178.491 176.600 -0.036 0.000 0.988 295 E CA 0.623 57.051 56.400 0.047 0.000 0.828 295 E CB 0.133 29.847 29.700 0.023 0.000 0.763 295 E HN 0.360 nan 8.360 nan 0.000 0.478 296 E N 0.696 120.825 120.200 -0.118 0.000 2.106 296 E HA -0.078 4.270 4.350 -0.003 0.000 0.192 296 E C 1.653 178.063 176.600 -0.317 0.000 0.984 296 E CA 0.961 57.228 56.400 -0.222 0.000 0.806 296 E CB 0.103 29.609 29.700 -0.323 0.000 0.750 296 E HN 0.165 nan 8.360 nan 0.000 0.458 297 M N -1.549 117.872 119.600 -0.299 0.000 2.618 297 M HA 0.171 4.649 4.480 -0.003 0.000 0.240 297 M C 1.017 177.294 176.300 -0.038 0.000 1.123 297 M CA 0.803 55.987 55.300 -0.194 0.000 1.060 297 M CB 0.703 33.227 32.600 -0.128 0.000 1.535 297 M HN 0.300 nan 8.290 nan 0.000 0.507 298 G N 1.487 110.279 108.800 -0.014 0.000 2.159 298 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.227 298 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.227 298 G C 0.045 174.987 174.900 0.070 0.000 0.986 298 G CA -0.535 44.586 45.100 0.034 0.000 0.651 298 G HN 0.462 nan 8.290 nan 0.000 0.523 299 I N 1.251 121.876 120.570 0.091 0.000 2.313 299 I HA 0.562 4.730 4.170 -0.003 0.000 0.286 299 I C 1.188 177.418 176.117 0.188 0.000 1.091 299 I CA 0.285 61.655 61.300 0.117 0.000 1.216 299 I CB 0.971 39.042 38.000 0.119 0.000 1.434 299 I HN 0.189 nan 8.210 nan 0.000 0.487 300 A N 2.886 125.803 122.820 0.163 0.000 2.066 300 A HA 0.093 4.411 4.320 -0.003 0.000 0.198 300 A C 1.610 179.296 177.584 0.170 0.000 1.405 300 A CA 0.064 52.243 52.037 0.236 0.000 0.973 300 A CB 0.065 19.160 19.000 0.158 0.000 1.026 300 A HN 0.475 nan 8.150 nan 0.000 0.474 301 D N 0.997 121.450 120.400 0.089 0.000 2.182 301 D HA -0.133 4.504 4.640 -0.003 0.000 0.201 301 D C 1.811 178.078 176.300 -0.055 0.000 0.986 301 D CA 0.866 54.893 54.000 0.045 0.000 0.847 301 D CB -0.305 40.558 40.800 0.105 0.000 0.942 301 D HN 0.459 nan 8.370 nan 0.000 0.467 302 L N -0.648 120.470 121.223 -0.174 0.000 2.081 302 L HA -0.192 4.146 4.340 -0.003 0.000 0.212 302 L C 1.811 178.384 176.870 -0.495 0.000 1.080 302 L CA 1.135 55.747 54.840 -0.381 0.000 0.754 302 L CB -0.473 41.201 42.059 -0.641 0.000 0.893 302 L HN 0.061 nan 8.230 nan 0.000 0.433 303 F N -0.837 119.093 119.950 -0.034 0.000 2.776 303 F HA 0.036 4.562 4.527 -0.003 0.000 0.300 303 F C 1.694 177.452 175.800 -0.070 0.000 1.116 303 F CA -0.196 57.773 58.000 -0.051 0.000 1.375 303 F CB -0.336 38.653 39.000 -0.018 0.000 1.109 303 F HN 0.017 nan 8.300 nan 0.000 0.585 304 T N -2.763 111.820 114.554 0.049 0.000 2.874 304 T HA 0.134 4.482 4.350 -0.003 0.000 0.281 304 T C 1.121 175.790 174.700 -0.052 0.000 0.994 304 T CA -0.476 61.631 62.100 0.012 0.000 1.015 304 T CB 1.409 70.282 68.868 0.009 0.000 1.028 304 T HN 0.021 nan 8.240 nan 0.000 0.523 305 T N 1.277 115.806 114.554 -0.042 0.000 3.227 305 T HA 0.032 4.380 4.350 -0.003 0.000 0.257 305 T C 0.989 175.651 174.700 -0.064 0.000 1.162 305 T CA 0.539 62.604 62.100 -0.059 0.000 1.051 305 T CB -0.246 68.598 68.868 -0.040 0.000 0.953 305 T HN 0.572 nan 8.240 nan 0.000 0.535 306 Q N 0.539 120.302 119.800 -0.062 0.000 2.179 306 Q HA 0.490 4.828 4.340 -0.003 0.000 0.213 306 Q C 0.583 176.547 176.000 -0.060 0.000 0.833 306 Q CA -0.233 55.538 55.803 -0.054 0.000 0.990 306 Q CB 0.404 29.114 28.738 -0.046 0.000 1.132 306 Q HN 0.487 nan 8.270 nan 0.000 0.493 307 A N 1.388 124.140 122.820 -0.113 0.000 2.520 307 A HA 0.145 4.463 4.320 -0.003 0.000 0.245 307 A C 0.070 177.608 177.584 -0.078 0.000 1.072 307 A CA -0.101 51.844 52.037 -0.154 0.000 0.761 307 A CB 0.082 18.830 19.000 -0.421 0.000 1.004 307 A HN 0.186 nan 8.150 nan 0.000 0.499 308 N N 2.316 121.061 118.700 0.075 0.000 2.678 308 N HA 0.304 5.042 4.740 -0.003 0.000 0.231 308 N C -1.313 174.402 175.510 0.343 0.000 1.038 308 N CA -0.209 52.925 53.050 0.139 0.000 0.932 308 N CB 0.021 38.570 38.487 0.104 0.000 1.176 308 N HN 0.436 nan 8.380 nan 0.000 0.511 309 F N 0.977 120.881 119.950 -0.078 0.000 2.923 309 F HA 0.164 4.689 4.527 -0.003 0.000 0.314 309 F C 1.951 177.667 175.800 -0.140 0.000 1.196 309 F CA -0.613 57.317 58.000 -0.117 0.000 1.320 309 F CB -0.380 38.544 39.000 -0.126 0.000 0.953 309 F HN 0.376 nan 8.300 nan 0.000 0.505 310 S N -1.022 114.705 115.700 0.045 0.000 2.474 310 S HA -0.090 4.378 4.470 -0.003 0.000 0.235 310 S C 1.913 176.470 174.600 -0.071 0.000 0.997 310 S CA 0.591 58.784 58.200 -0.012 0.000 0.949 310 S CB -0.193 63.009 63.200 0.003 0.000 0.766 310 S HN 0.428 nan 8.310 nan 0.000 0.517 311 R N 0.177 120.603 120.500 -0.123 0.000 2.276 311 R HA 0.358 4.696 4.340 -0.003 0.000 0.196 311 R C 1.765 177.843 176.300 -0.369 0.000 0.961 311 R CA 0.399 56.410 56.100 -0.149 0.000 1.024 311 R CB -0.265 29.991 30.300 -0.072 0.000 0.940 311 R HN 0.468 nan 8.270 nan 0.000 0.480 312 I N -0.414 119.799 120.570 -0.596 0.000 2.162 312 I HA -0.133 4.035 4.170 -0.003 0.000 0.238 312 I C 1.222 177.075 176.117 -0.441 0.000 1.076 312 I CA 1.152 61.855 61.300 -0.995 0.000 1.353 312 I CB 0.063 37.601 38.000 -0.769 0.000 1.063 312 I HN 0.023 nan 8.210 nan 0.000 0.408 313 T N -1.326 113.094 114.554 -0.223 0.000 2.802 313 T HA 0.242 4.590 4.350 -0.003 0.000 0.311 313 T C -0.553 174.110 174.700 -0.061 0.000 1.405 313 T CA -0.669 61.370 62.100 -0.102 0.000 1.016 313 T CB 1.716 70.541 68.868 -0.072 0.000 1.352 313 T HN 0.359 nan 8.240 nan 0.000 0.498 314 Q N 0.626 120.405 119.800 -0.035 0.000 2.217 314 Q HA 0.292 4.630 4.340 -0.003 0.000 0.217 314 Q C 0.042 176.031 176.000 -0.019 0.000 0.844 314 Q CA -0.175 55.614 55.803 -0.023 0.000 0.957 314 Q CB 0.404 29.133 28.738 -0.015 0.000 1.127 314 Q HN 0.453 nan 8.270 nan 0.000 0.503 315 D N 1.740 122.127 120.400 -0.020 0.000 2.347 315 D HA 0.164 4.802 4.640 -0.003 0.000 0.215 315 D C 0.118 176.404 176.300 -0.024 0.000 0.976 315 D CA 0.870 54.860 54.000 -0.017 0.000 0.884 315 D CB 0.596 41.388 40.800 -0.013 0.000 0.915 315 D HN 0.418 nan 8.370 nan 0.000 0.526 316 A N 0.423 123.225 122.820 -0.030 0.000 2.594 316 A HA 0.375 4.693 4.320 -0.003 0.000 0.296 316 A C -1.312 176.252 177.584 -0.033 0.000 1.056 316 A CA -0.969 51.047 52.037 -0.036 0.000 0.693 316 A CB 0.933 19.902 19.000 -0.051 0.000 1.278 316 A HN -0.007 nan 8.150 nan 0.000 0.408 317 Q N 1.635 121.413 119.800 -0.037 0.000 2.314 317 Q HA 0.619 4.957 4.340 -0.003 0.000 0.257 317 Q C -1.190 174.766 176.000 -0.073 0.000 0.975 317 Q CA -0.459 55.319 55.803 -0.041 0.000 0.933 317 Q CB 1.079 29.792 28.738 -0.041 0.000 1.195 317 Q HN 0.415 nan 8.270 nan 0.000 0.426 318 L N 3.248 124.423 121.223 -0.080 0.000 2.331 318 L HA 0.513 4.851 4.340 -0.003 0.000 0.275 318 L C -0.233 176.330 176.870 -0.511 0.000 1.022 318 L CA -0.236 54.506 54.840 -0.163 0.000 0.812 318 L CB 1.841 43.917 42.059 0.029 0.000 1.257 318 L HN 0.761 nan 8.230 nan 0.000 0.435 319 K N -0.268 119.836 120.400 -0.494 0.000 2.443 319 K HA 0.699 5.017 4.320 -0.003 0.000 0.251 319 K C -0.808 175.528 176.600 -0.440 0.000 0.972 319 K CA -0.662 55.224 56.287 -0.670 0.000 0.833 319 K CB 1.762 34.054 32.500 -0.346 0.000 1.317 319 K HN 0.340 nan 8.250 nan 0.000 0.441 320 S N 0.543 116.008 115.700 -0.391 0.000 2.465 320 S HA 0.076 4.544 4.470 -0.003 0.000 0.279 320 S C 0.756 175.432 174.600 0.127 0.000 1.201 320 S CA -0.209 57.956 58.200 -0.058 0.000 1.053 320 S CB 0.467 63.605 63.200 -0.103 0.000 0.953 320 S HN 0.726 nan 8.310 nan 0.000 0.488 321 S N 4.382 120.179 115.700 0.162 0.000 2.441 321 S HA 0.317 4.785 4.470 -0.003 0.000 0.224 321 S C 0.430 175.164 174.600 0.224 0.000 1.043 321 S CA -0.069 58.234 58.200 0.172 0.000 0.948 321 S CB -0.109 63.150 63.200 0.099 0.000 0.810 321 S HN 0.702 nan 8.310 nan 0.000 0.504 322 K N 0.261 120.819 120.400 0.264 0.000 2.543 322 K HA 0.575 4.893 4.320 -0.003 0.000 0.255 322 K C -2.286 174.430 176.600 0.193 0.000 0.934 322 K CA -0.551 55.866 56.287 0.216 0.000 0.810 322 K CB 2.490 35.110 32.500 0.201 0.000 1.315 322 K HN 0.059 nan 8.250 nan 0.000 0.433 323 V N 3.954 123.937 119.914 0.115 0.000 2.443 323 V HA 0.501 4.619 4.120 -0.003 0.000 0.293 323 V C -0.878 175.103 176.094 -0.188 0.000 1.021 323 V CA -0.799 61.501 62.300 0.001 0.000 0.848 323 V CB 1.596 33.534 31.823 0.192 0.000 0.998 323 V HN 0.487 nan 8.190 nan 0.000 0.424 324 V N 3.884 123.480 119.914 -0.531 0.000 2.709 324 V HA 0.534 4.652 4.120 -0.003 0.000 0.308 324 V C -1.007 174.935 176.094 -0.254 0.000 1.062 324 V CA -0.715 61.283 62.300 -0.503 0.000 0.901 324 V CB 2.166 33.463 31.823 -0.877 0.000 1.003 324 V HN 0.957 nan 8.190 nan 0.000 0.425 325 H N 3.490 122.514 119.070 -0.077 0.000 2.495 325 H HA 0.717 5.271 4.556 -0.003 0.000 0.348 325 H C -0.720 174.701 175.328 0.155 0.000 1.113 325 H CA -0.645 55.452 56.048 0.081 0.000 1.195 325 H CB 1.662 31.520 29.762 0.160 0.000 1.521 325 H HN 0.663 nan 8.280 nan 0.000 0.509 326 K N 3.576 123.761 120.400 -0.357 0.000 2.482 326 K HA 0.780 5.098 4.320 -0.003 0.000 0.251 326 K C -2.010 174.444 176.600 -0.242 0.000 0.936 326 K CA -0.790 55.361 56.287 -0.228 0.000 0.791 326 K CB 1.457 33.926 32.500 -0.051 0.000 1.213 326 K HN 0.673 nan 8.250 nan 0.000 0.428 327 A N 2.472 125.288 122.820 -0.008 0.000 2.515 327 A HA 0.673 4.991 4.320 -0.003 0.000 0.298 327 A C -1.295 176.493 177.584 0.341 0.000 1.059 327 A CA -0.688 51.497 52.037 0.248 0.000 0.698 327 A CB 1.581 20.819 19.000 0.396 0.000 1.289 327 A HN 0.602 nan 8.150 nan 0.000 0.404 328 V N -0.360 119.727 119.914 0.288 0.000 2.735 328 V HA 0.914 5.032 4.120 -0.003 0.000 0.310 328 V C -0.989 174.966 176.094 -0.231 0.000 1.061 328 V CA -0.844 61.480 62.300 0.040 0.000 0.913 328 V CB 1.375 33.212 31.823 0.023 0.000 1.005 328 V HN 1.364 nan 8.190 nan 0.000 0.428 329 L N 3.140 124.041 121.223 -0.537 0.000 2.410 329 L HA 0.684 5.022 4.340 -0.003 0.000 0.270 329 L C -0.559 176.096 176.870 -0.358 0.000 0.983 329 L CA -0.025 54.376 54.840 -0.731 0.000 0.822 329 L CB 2.033 43.225 42.059 -1.445 0.000 1.285 329 L HN 0.920 nan 8.230 nan 0.000 0.409 330 Q N 5.271 124.921 119.800 -0.250 0.000 2.330 330 Q HA 0.648 4.986 4.340 -0.003 0.000 0.269 330 Q C -1.590 174.364 176.000 -0.077 0.000 1.022 330 Q CA -0.598 55.122 55.803 -0.138 0.000 0.796 330 Q CB 2.601 31.274 28.738 -0.109 0.000 1.271 330 Q HN 0.634 nan 8.270 nan 0.000 0.450 331 L N 3.215 124.435 121.223 -0.005 0.000 2.362 331 L HA 0.573 4.911 4.340 -0.003 0.000 0.275 331 L C -0.515 176.407 176.870 0.087 0.000 0.998 331 L CA -0.766 54.139 54.840 0.107 0.000 0.820 331 L CB 1.354 43.529 42.059 0.194 0.000 1.270 331 L HN 0.724 nan 8.230 nan 0.000 0.415 332 N N 0.290 119.088 118.700 0.163 0.000 3.157 332 N HA 0.245 4.983 4.740 -0.003 0.000 0.291 332 N C 0.055 175.749 175.510 0.306 0.000 1.515 332 N CA -0.870 52.263 53.050 0.137 0.000 0.807 332 N CB 0.701 39.233 38.487 0.074 0.000 1.672 332 N HN 0.296 nan 8.380 nan 0.000 0.592 333 E N -0.445 119.887 120.200 0.221 0.000 2.204 333 E HA -0.095 4.253 4.350 -0.003 0.000 0.195 333 E C 0.600 177.501 176.600 0.500 0.000 0.990 333 E CA 1.428 58.026 56.400 0.330 0.000 0.821 333 E CB -0.026 29.790 29.700 0.194 0.000 0.750 333 E HN 0.620 nan 8.360 nan 0.000 0.477 334 E N -0.898 119.513 120.200 0.351 0.000 2.140 334 E HA 0.227 4.575 4.350 -0.003 0.000 0.191 334 E C 0.831 177.526 176.600 0.158 0.000 0.973 334 E CA 0.845 57.403 56.400 0.264 0.000 0.829 334 E CB 0.568 30.332 29.700 0.107 0.000 0.781 334 E HN 0.225 nan 8.360 nan 0.000 0.466 335 G N -1.522 107.233 108.800 -0.075 0.000 2.393 335 G HA2 0.309 4.267 3.960 -0.003 0.000 0.264 335 G HA3 0.309 4.267 3.960 -0.003 0.000 0.264 335 G C -1.086 173.497 174.900 -0.529 0.000 1.221 335 G CA -0.415 44.238 45.100 -0.746 0.000 0.912 335 G HN -0.071 nan 8.290 nan 0.000 0.483 336 T N 0.951 115.184 114.554 -0.535 0.000 2.893 336 T HA 0.665 5.013 4.350 -0.003 0.000 0.293 336 T C -1.245 173.178 174.700 -0.462 0.000 1.027 336 T CA -0.451 61.443 62.100 -0.343 0.000 0.988 336 T CB 2.112 70.871 68.868 -0.182 0.000 1.043 336 T HN 0.437 nan 8.240 nan 0.000 0.461 337 E N 1.228 121.223 120.200 -0.342 0.000 2.279 337 E HA 0.610 4.958 4.350 -0.003 0.000 0.252 337 E C -1.041 175.355 176.600 -0.339 0.000 0.894 337 E CA -0.737 55.419 56.400 -0.406 0.000 0.785 337 E CB 1.804 31.343 29.700 -0.267 0.000 1.237 337 E HN 0.695 nan 8.360 nan 0.000 0.418 338 A N 2.222 124.805 122.820 -0.394 0.000 2.374 338 A HA 0.939 5.257 4.320 -0.003 0.000 0.317 338 A C -1.049 176.415 177.584 -0.200 0.000 1.094 338 A CA -0.490 51.305 52.037 -0.404 0.000 0.765 338 A CB 1.661 20.105 19.000 -0.926 0.000 1.268 338 A HN 0.587 nan 8.150 nan 0.000 0.438 339 A N 0.347 123.221 122.820 0.090 0.000 2.572 339 A HA 0.937 5.255 4.320 -0.003 0.000 0.295 339 A C -0.253 177.618 177.584 0.479 0.000 1.072 339 A CA -0.055 52.196 52.037 0.357 0.000 0.691 339 A CB 1.659 20.874 19.000 0.358 0.000 1.291 339 A HN 2.278 nan 8.150 nan 0.000 0.404 340 G N -0.846 108.249 108.800 0.492 0.000 2.718 340 G HA2 0.856 4.814 3.960 -0.003 0.000 0.295 340 G HA3 0.856 4.814 3.960 -0.003 0.000 0.295 340 G C -0.983 174.141 174.900 0.373 0.000 1.421 340 G CA 0.180 45.524 45.100 0.407 0.000 0.902 340 G HN 2.007 nan 8.290 nan 0.000 0.501 341 A N 1.450 124.438 122.820 0.280 0.000 2.488 341 A HA 0.813 5.131 4.320 -0.003 0.000 0.298 341 A C -0.803 177.007 177.584 0.378 0.000 1.044 341 A CA -0.506 51.744 52.037 0.354 0.000 0.693 341 A CB 1.765 20.964 19.000 0.332 0.000 1.272 341 A HN 0.698 nan 8.150 nan 0.000 0.402 342 M N 2.180 122.029 119.600 0.415 0.000 2.528 342 M HA 0.716 5.194 4.480 -0.003 0.000 0.321 342 M C -1.494 175.019 176.300 0.355 0.000 1.153 342 M CA -0.664 54.841 55.300 0.342 0.000 0.951 342 M CB 1.840 34.598 32.600 0.264 0.000 1.705 342 M HN 0.811 nan 8.290 nan 0.000 0.451 343 F N 2.642 122.703 119.950 0.185 0.000 2.565 343 F HA 0.782 5.307 4.527 -0.004 0.000 0.313 343 F C -2.269 173.632 175.800 0.169 0.000 1.091 343 F CA -1.166 56.945 58.000 0.185 0.000 0.915 343 F CB 1.059 40.145 39.000 0.143 0.000 1.208 343 F HN 0.474 nan 8.300 nan 0.000 0.453 344 L N 3.499 124.989 121.223 0.446 0.000 2.349 344 L HA 0.542 4.880 4.340 -0.003 0.000 0.278 344 L C -1.027 176.116 176.870 0.455 0.000 0.996 344 L CA -0.264 54.781 54.840 0.342 0.000 0.825 344 L CB 1.647 43.840 42.059 0.224 0.000 1.243 344 L HN 0.795 nan 8.230 nan 0.000 0.412 345 E N 4.125 124.595 120.200 0.451 0.000 2.197 345 E HA 0.614 4.962 4.350 -0.003 0.000 0.281 345 E C -0.866 175.889 176.600 0.258 0.000 0.995 345 E CA -0.661 55.978 56.400 0.397 0.000 0.808 345 E CB 1.894 31.849 29.700 0.426 0.000 1.093 345 E HN 0.665 nan 8.360 nan 0.000 0.394 346 A N 3.874 126.818 122.820 0.206 0.000 2.342 346 A HA 0.716 5.034 4.320 -0.003 0.000 0.323 346 A C -0.382 177.223 177.584 0.034 0.000 1.125 346 A CA -0.677 51.436 52.037 0.127 0.000 0.785 346 A CB 0.458 19.574 19.000 0.194 0.000 1.221 346 A HN 0.659 nan 8.150 nan 0.000 0.463 347 I N -0.955 119.599 120.570 -0.026 0.000 3.002 347 I HA 0.711 4.879 4.170 -0.003 0.000 0.310 347 I C -2.921 173.139 176.117 -0.096 0.000 1.087 347 I CA -3.242 58.014 61.300 -0.074 0.000 1.017 347 I CB 2.168 40.135 38.000 -0.056 0.000 1.226 347 I HN 0.230 nan 8.210 nan 0.000 0.443 348 P HA 0.136 nan 4.420 nan 0.000 0.264 348 P C -0.442 176.807 177.300 -0.085 0.000 1.193 348 P CA -0.010 63.035 63.100 -0.091 0.000 0.763 348 P CB 0.477 32.130 31.700 -0.079 0.000 0.810 352 P HA 0.321 nan 4.420 nan 0.000 0.276 352 P C -0.106 177.138 177.300 -0.092 0.000 1.230 352 P CA -0.332 62.720 63.100 -0.080 0.000 0.776 352 P CB 0.543 32.205 31.700 -0.064 0.000 0.888 353 I N 3.334 123.810 120.570 -0.156 0.000 2.396 353 I HA 0.155 4.323 4.170 -0.003 0.000 0.289 353 I C 0.874 176.922 176.117 -0.115 0.000 1.056 353 I CA -0.459 60.727 61.300 -0.191 0.000 1.365 353 I CB 0.205 37.944 38.000 -0.434 0.000 1.407 353 I HN 0.179 nan 8.210 nan 0.000 0.509 354 I N 7.405 127.953 120.570 -0.038 0.000 2.363 354 I HA 0.112 4.280 4.170 -0.003 0.000 0.292 354 I C -0.396 175.746 176.117 0.042 0.000 1.075 354 I CA -0.147 61.187 61.300 0.055 0.000 1.333 354 I CB 0.553 38.591 38.000 0.062 0.000 1.415 354 I HN 0.371 nan 8.210 nan 0.000 0.502 355 L N 8.298 129.581 121.223 0.100 0.000 2.316 355 L HA 0.450 4.788 4.340 -0.003 0.000 0.280 355 L C -0.324 176.613 176.870 0.112 0.000 1.006 355 L CA -0.202 54.671 54.840 0.055 0.000 0.836 355 L CB 0.919 43.046 42.059 0.113 0.000 1.221 355 L HN 0.491 nan 8.230 nan 0.000 0.418 356 R N 4.243 124.703 120.500 -0.066 0.000 2.337 356 R HA 0.372 4.709 4.340 -0.003 0.000 0.319 356 R C -1.165 175.017 176.300 -0.197 0.000 0.954 356 R CA -0.513 55.566 56.100 -0.036 0.000 0.840 356 R CB 0.624 30.824 30.300 -0.167 0.000 1.164 356 R HN 0.495 nan 8.270 nan 0.000 0.472 357 F N 4.737 124.621 119.950 -0.109 0.000 2.606 357 F HA 0.134 4.659 4.527 -0.003 0.000 0.347 357 F C 0.877 176.624 175.800 -0.088 0.000 1.207 357 F CA -0.488 57.373 58.000 -0.233 0.000 1.306 357 F CB 0.231 38.838 39.000 -0.654 0.000 1.657 357 F HN 0.489 nan 8.300 nan 0.000 0.606 358 N N 1.126 119.797 118.700 -0.048 0.000 2.321 358 N HA 0.077 4.815 4.740 -0.003 0.000 0.242 358 N C -0.463 174.627 175.510 -0.699 0.000 1.141 358 N CA -0.223 52.719 53.050 -0.180 0.000 0.864 358 N CB 0.034 38.489 38.487 -0.052 0.000 1.100 358 N HN 0.605 nan 8.380 nan 0.000 0.510 359 Q N -2.491 116.837 119.800 -0.788 0.000 2.687 359 Q HA 0.470 4.808 4.340 -0.003 0.000 0.295 359 Q C -3.339 172.644 176.000 -0.028 0.000 0.920 359 Q CA -1.897 53.493 55.803 -0.689 0.000 0.766 359 Q CB 0.525 29.141 28.738 -0.204 0.000 1.467 359 Q HN -0.183 nan 8.270 nan 0.000 0.415 360 P HA -0.040 nan 4.420 nan 0.000 0.259 360 P C -1.215 176.367 177.300 0.470 0.000 1.163 360 P CA 0.814 64.150 63.100 0.392 0.000 0.760 360 P CB -0.143 31.699 31.700 0.237 0.000 0.762 361 F N 1.739 121.912 119.950 0.371 0.000 2.692 361 F HA 0.732 5.257 4.527 -0.003 0.000 0.320 361 F C -1.207 174.822 175.800 0.381 0.000 1.123 361 F CA -1.620 56.620 58.000 0.401 0.000 0.961 361 F CB 0.832 40.212 39.000 0.634 0.000 1.383 361 F HN -0.017 nan 8.300 nan 0.000 0.483 362 I N 2.321 123.204 120.570 0.521 0.000 2.441 362 I HA 0.490 4.658 4.170 -0.003 0.000 0.295 362 I C -0.806 175.551 176.117 0.401 0.000 0.994 362 I CA -0.690 60.825 61.300 0.358 0.000 1.144 362 I CB 1.867 40.062 38.000 0.324 0.000 1.314 362 I HN 0.454 nan 8.210 nan 0.000 0.445 363 I N 6.490 127.216 120.570 0.261 0.000 2.465 363 I HA 0.458 4.626 4.170 -0.003 0.000 0.291 363 I C -0.692 175.513 176.117 0.146 0.000 1.014 363 I CA -0.540 60.875 61.300 0.191 0.000 1.093 363 I CB 1.679 39.811 38.000 0.219 0.000 1.267 363 I HN 0.391 nan 8.210 nan 0.000 0.431 364 M N 7.383 127.085 119.600 0.169 0.000 2.093 364 M HA 0.522 5.000 4.480 -0.003 0.000 0.297 364 M C -0.959 175.492 176.300 0.251 0.000 0.938 364 M CA -0.356 55.071 55.300 0.211 0.000 0.920 364 M CB 2.064 34.931 32.600 0.446 0.000 1.517 364 M HN 0.386 nan 8.290 nan 0.000 0.427 365 I N 3.352 123.963 120.570 0.068 0.000 2.321 365 I HA 0.475 4.643 4.170 -0.003 0.000 0.291 365 I C -0.866 175.166 176.117 -0.141 0.000 0.998 365 I CA -0.210 61.145 61.300 0.092 0.000 1.227 365 I CB 0.735 38.826 38.000 0.152 0.000 1.368 365 I HN 0.528 nan 8.210 nan 0.000 0.466 366 F N 3.321 123.314 119.950 0.072 0.000 2.598 366 F HA 0.359 4.884 4.527 -0.004 0.000 0.327 366 F C 0.044 175.844 175.800 -0.000 0.000 1.057 366 F CA -0.715 57.311 58.000 0.044 0.000 0.957 366 F CB 1.550 40.633 39.000 0.139 0.000 1.278 366 F HN 0.329 nan 8.300 nan 0.000 0.484 367 D N -0.017 120.559 120.400 0.293 0.000 2.303 367 D HA 0.185 4.823 4.640 -0.003 0.000 0.236 367 D C 0.865 177.394 176.300 0.381 0.000 1.068 367 D CA -0.058 54.109 54.000 0.277 0.000 0.830 367 D CB 0.527 41.508 40.800 0.302 0.000 1.109 367 D HN 0.410 nan 8.370 nan 0.000 0.496 368 H N 3.222 122.517 119.070 0.376 0.000 2.387 368 H HA -0.159 4.395 4.556 -0.004 0.000 0.299 368 H C 1.322 176.841 175.328 0.317 0.000 1.099 368 H CA 1.112 57.382 56.048 0.371 0.000 1.315 368 H CB 0.013 29.953 29.762 0.298 0.000 1.380 368 H HN 0.555 nan 8.280 nan 0.000 0.513 369 F N 1.039 121.140 119.950 0.251 0.000 2.163 369 F HA -0.155 4.370 4.527 -0.004 0.000 0.297 369 F C 2.515 178.251 175.800 -0.107 0.000 1.094 369 F CA 1.817 59.859 58.000 0.070 0.000 1.290 369 F CB 0.156 39.210 39.000 0.090 0.000 1.017 369 F HN 0.148 nan 8.300 nan 0.000 0.483 370 T N -5.669 108.960 114.554 0.126 0.000 3.001 370 T HA -0.001 4.347 4.350 -0.003 0.000 0.251 370 T C 0.304 175.045 174.700 0.068 0.000 1.040 370 T CA 0.271 62.361 62.100 -0.017 0.000 0.985 370 T CB -0.264 68.699 68.868 0.159 0.000 1.011 370 T HN 0.425 nan 8.240 nan 0.000 0.509 371 W N 1.238 122.656 121.300 0.198 0.000 3.160 371 W HA -0.194 4.465 4.660 -0.003 0.000 0.299 371 W C -0.406 176.292 176.519 0.297 0.000 1.141 371 W CA -0.320 57.146 57.345 0.202 0.000 0.612 371 W CB -2.764 26.755 29.460 0.098 0.000 2.186 371 W HN 0.322 nan 8.180 nan 0.000 1.364 372 S N 0.650 116.627 115.700 0.462 0.000 2.528 372 S HA 0.278 4.746 4.470 -0.003 0.000 0.277 372 S C 0.675 175.350 174.600 0.125 0.000 1.297 372 S CA -0.016 58.365 58.200 0.301 0.000 1.052 372 S CB 1.661 65.057 63.200 0.327 0.000 0.917 372 S HN 0.172 nan 8.310 nan 0.000 0.492 373 S N 4.035 119.655 115.700 -0.132 0.000 2.437 373 S HA 0.182 4.650 4.470 -0.003 0.000 0.304 373 S C 1.108 175.378 174.600 -0.550 0.000 1.167 373 S CA -0.632 57.133 58.200 -0.726 0.000 1.106 373 S CB -0.513 62.270 63.200 -0.695 0.000 1.099 373 S HN 0.633 nan 8.310 nan 0.000 0.524 374 L N 4.445 125.299 121.223 -0.614 0.000 2.102 374 L HA 0.291 4.629 4.340 -0.003 0.000 0.202 374 L C -0.209 176.018 176.870 -1.072 0.000 1.076 374 L CA 0.713 55.097 54.840 -0.759 0.000 0.761 374 L CB -0.052 41.594 42.059 -0.689 0.000 0.921 374 L HN 0.548 nan 8.230 nan 0.000 0.444 375 F N -0.645 119.065 119.950 -0.400 0.000 2.581 375 F HA 0.524 5.050 4.527 -0.003 0.000 0.311 375 F C -0.583 175.006 175.800 -0.351 0.000 1.113 375 F CA -0.534 57.228 58.000 -0.396 0.000 0.935 375 F CB 1.737 40.559 39.000 -0.296 0.000 1.232 375 F HN -0.290 nan 8.300 nan 0.000 0.445 376 L N 2.948 124.054 121.223 -0.194 0.000 2.346 376 L HA 0.940 5.278 4.340 -0.003 0.000 0.276 376 L C -0.581 176.325 176.870 0.059 0.000 1.006 376 L CA -0.861 53.906 54.840 -0.122 0.000 0.817 376 L CB 2.034 43.946 42.059 -0.245 0.000 1.272 376 L HN 0.781 nan 8.230 nan 0.000 0.421 377 A N 3.073 126.029 122.820 0.226 0.000 2.449 377 A HA 0.745 5.063 4.320 -0.003 0.000 0.302 377 A C -1.052 176.760 177.584 0.380 0.000 1.048 377 A CA -0.656 51.617 52.037 0.394 0.000 0.708 377 A CB 1.899 21.196 19.000 0.495 0.000 1.274 377 A HN 0.740 nan 8.150 nan 0.000 0.410 378 R N 2.401 123.090 120.500 0.315 0.000 2.358 378 R HA 0.501 4.839 4.340 -0.003 0.000 0.309 378 R C -1.652 174.682 176.300 0.057 0.000 1.026 378 R CA -0.283 55.931 56.100 0.189 0.000 0.909 378 R CB 1.013 31.397 30.300 0.141 0.000 1.153 378 R HN 0.492 nan 8.270 nan 0.000 0.515 379 V N 6.809 126.645 119.914 -0.130 0.000 2.356 379 V HA 0.069 4.187 4.120 -0.003 0.000 0.258 379 V C 1.184 177.290 176.094 0.019 0.000 1.065 379 V CA -0.131 62.049 62.300 -0.200 0.000 0.935 379 V CB 1.146 32.567 31.823 -0.670 0.000 1.061 379 V HN 0.810 nan 8.190 nan 0.000 0.484 380 M N 2.190 121.843 119.600 0.089 0.000 2.486 380 M HA 0.219 4.697 4.480 -0.003 0.000 0.264 380 M C 0.637 177.082 176.300 0.242 0.000 1.125 380 M CA 0.697 56.113 55.300 0.193 0.000 1.144 380 M CB -0.496 32.184 32.600 0.133 0.000 1.353 380 M HN 0.657 nan 8.290 nan 0.000 0.466 381 N N 0.533 119.244 118.700 0.019 0.000 2.616 381 N HA 0.210 4.948 4.740 -0.003 0.000 0.281 381 N C -2.487 172.846 175.510 -0.294 0.000 1.145 381 N CA -0.973 51.978 53.050 -0.165 0.000 0.919 381 N CB 2.085 40.556 38.487 -0.026 0.000 1.509 381 N HN -0.182 nan 8.380 nan 0.000 0.537 382 P HA -0.017 nan 4.420 nan 0.000 0.230 382 P C 0.365 177.540 177.300 -0.207 0.000 1.158 382 P CA 0.484 63.377 63.100 -0.345 0.000 0.769 382 P CB 0.685 32.130 31.700 -0.425 0.000 0.807 383 V N 0.000 119.800 119.914 -0.190 0.000 2.409 383 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 383 V CA 0.000 62.234 62.300 -0.110 0.000 1.235 383 V CB 0.000 31.771 31.823 -0.087 0.000 1.184 383 V HN 0.000 nan 8.190 nan 0.000 0.556