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 1flo_1_B DATA FIRST_RESID 2 DATA SEQUENCE PQFDILCKTP PKVLVRQFVE RFERPSGEKI ALCAAELTYL CWMITHNGTA DATA SEQUENCE IKRATFMSYN TIISNSLSFD IVNKSLQFKY KTQKATILEA SLKKLIPAWE DATA SEQUENCE FTIIPYYGQK HQSDITDIVS SLQLQFESXX XXXKGNSHSK KMLKALLSEG DATA SEQUENCE ESIWEITEKI LNSFEYTSRF TKTKTLYQFL FLATFINCGR FSDIKNVDPK DATA SEQUENCE SFKLVQNKYL GVIIQCLVTE TKTSVSRHIY FFSARGRIDP LVYLDEFLRN DATA SEQUENCE SEPVLKRVNR TGNSSSNKQE YQLLKDNLVR SYNKALKKNA PYSIFAIKNG DATA SEQUENCE PKSHIGRHLM TSFLSMKGLT ELTNVVGNWS DKRXXXXXXX XXTHQITAIP DATA SEQUENCE DHYFALVSRY YAYDPISKEM IALKDETNPI EEWQHIEQLK GSAEGSIRYP DATA SEQUENCE AWNGIISQEV LDYLSSYINR RI 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.359 177.300 0.098 0.000 1.155 2 P CA 0.000 63.151 63.100 0.086 0.000 0.800 2 P CB 0.000 31.763 31.700 0.104 0.000 0.726 3 Q N 0.238 120.116 119.800 0.130 0.000 2.045 3 Q HA -0.270 4.069 4.340 -0.001 0.000 0.215 3 Q C 1.424 177.484 176.000 0.100 0.000 1.026 3 Q CA 2.279 58.172 55.803 0.150 0.000 0.885 3 Q CB -0.401 28.497 28.738 0.267 0.000 0.984 3 Q HN 0.581 nan 8.270 nan 0.000 0.414 4 F N 2.065 122.017 119.950 0.003 0.000 2.087 4 F HA -0.287 4.239 4.527 -0.001 0.000 0.299 4 F C 1.826 177.500 175.800 -0.211 0.000 1.100 4 F CA 2.030 59.880 58.000 -0.250 0.000 1.226 4 F CB -0.344 38.572 39.000 -0.140 0.000 0.983 4 F HN 0.139 nan 8.300 nan 0.000 0.479 5 D N 0.366 120.714 120.400 -0.086 0.000 2.104 5 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 5 D C 2.432 178.599 176.300 -0.223 0.000 0.994 5 D CA 1.704 55.606 54.000 -0.164 0.000 0.830 5 D CB -0.229 40.558 40.800 -0.022 0.000 0.959 5 D HN 0.256 nan 8.370 nan 0.000 0.452 6 I N 1.341 121.818 120.570 -0.154 0.000 2.226 6 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 6 I C 2.686 178.668 176.117 -0.226 0.000 1.100 6 I CA 0.647 61.861 61.300 -0.145 0.000 1.374 6 I CB -1.076 36.875 38.000 -0.082 0.000 1.057 6 I HN 0.048 nan 8.210 nan 0.000 0.413 7 L N 0.084 121.118 121.223 -0.316 0.000 2.131 7 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 7 L C 2.492 179.084 176.870 -0.463 0.000 1.092 7 L CA 1.501 56.093 54.840 -0.413 0.000 0.759 7 L CB -0.221 41.513 42.059 -0.541 0.000 0.903 7 L HN 0.211 nan 8.230 nan 0.000 0.435 8 C N -0.068 118.908 119.300 -0.540 0.000 2.472 8 C HA -0.016 4.444 4.460 -0.001 0.000 0.278 8 C C 2.521 177.350 174.990 -0.269 0.000 1.447 8 C CA 0.203 58.953 59.018 -0.445 0.000 1.773 8 C CB -0.942 26.498 27.740 -0.501 0.000 1.793 8 C HN 0.458 nan 8.230 nan 0.000 0.544 9 K N 0.441 120.699 120.400 -0.236 0.000 2.202 9 K HA 0.028 4.348 4.320 -0.001 0.000 0.201 9 K C 1.173 177.686 176.600 -0.144 0.000 1.051 9 K CA 0.591 56.782 56.287 -0.161 0.000 0.977 9 K CB -0.891 31.530 32.500 -0.131 0.000 0.792 9 K HN 0.582 nan 8.250 nan 0.000 0.469 10 T N 1.881 116.333 114.554 -0.171 0.000 2.901 10 T HA 0.265 4.614 4.350 -0.001 0.000 0.301 10 T C -2.667 171.940 174.700 -0.154 0.000 1.012 10 T CA -1.606 60.404 62.100 -0.151 0.000 1.135 10 T CB 0.967 69.736 68.868 -0.166 0.000 0.936 10 T HN -0.191 nan 8.240 nan 0.000 0.539 11 P HA 0.247 nan 4.420 nan 0.000 0.276 11 P C -1.878 175.368 177.300 -0.089 0.000 1.230 11 P CA -1.547 61.504 63.100 -0.082 0.000 0.776 11 P CB 0.326 31.994 31.700 -0.053 0.000 0.888 12 P HA -0.280 nan 4.420 nan 0.000 0.218 12 P C 1.272 178.562 177.300 -0.016 0.000 1.154 12 P CA 2.099 65.186 63.100 -0.023 0.000 0.872 12 P CB -0.171 31.567 31.700 0.064 0.000 0.790 13 K N -0.856 119.538 120.400 -0.009 0.000 2.211 13 K HA -0.068 4.252 4.320 -0.001 0.000 0.203 13 K C 1.658 178.255 176.600 -0.005 0.000 1.050 13 K CA 1.452 57.740 56.287 0.001 0.000 0.945 13 K CB -1.092 31.409 32.500 0.001 0.000 0.732 13 K HN 0.028 nan 8.250 nan 0.000 0.451 14 V N 2.366 122.264 119.914 -0.028 0.000 2.244 14 V HA -0.216 3.904 4.120 -0.001 0.000 0.244 14 V C 2.512 178.592 176.094 -0.024 0.000 1.042 14 V CA 1.441 63.724 62.300 -0.028 0.000 1.006 14 V CB -0.648 31.145 31.823 -0.050 0.000 0.641 14 V HN 0.246 nan 8.190 nan 0.000 0.446 15 L N 0.184 121.365 121.223 -0.071 0.000 1.963 15 L HA -0.220 4.120 4.340 -0.001 0.000 0.220 15 L C 2.552 179.440 176.870 0.030 0.000 1.076 15 L CA 1.754 56.550 54.840 -0.075 0.000 0.772 15 L CB -1.012 40.899 42.059 -0.247 0.000 0.892 15 L HN 0.212 nan 8.230 nan 0.000 0.435 16 V N -0.203 119.728 119.914 0.028 0.000 2.380 16 V HA -0.313 3.807 4.120 -0.001 0.000 0.251 16 V C 2.645 178.833 176.094 0.156 0.000 1.063 16 V CA 2.119 64.475 62.300 0.092 0.000 1.055 16 V CB -0.822 31.036 31.823 0.059 0.000 0.657 16 V HN 0.440 nan 8.190 nan 0.000 0.455 17 R N 0.570 121.125 120.500 0.092 0.000 2.064 17 R HA -0.125 4.214 4.340 -0.001 0.000 0.228 17 R C 2.320 178.677 176.300 0.095 0.000 1.144 17 R CA 1.847 57.995 56.100 0.080 0.000 0.932 17 R CB -0.915 29.409 30.300 0.040 0.000 0.833 17 R HN 0.566 nan 8.270 nan 0.000 0.429 18 Q N -0.815 119.034 119.800 0.081 0.000 2.096 18 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 18 Q C 1.934 178.008 176.000 0.123 0.000 0.993 18 Q CA 2.195 58.042 55.803 0.074 0.000 0.862 18 Q CB -0.406 28.367 28.738 0.058 0.000 0.915 18 Q HN 0.322 nan 8.270 nan 0.000 0.416 19 F N 0.815 120.786 119.950 0.036 0.000 2.010 19 F HA -0.279 4.247 4.527 -0.001 0.000 0.296 19 F C 2.278 178.178 175.800 0.167 0.000 1.146 19 F CA 1.845 59.901 58.000 0.094 0.000 1.181 19 F CB -0.826 38.212 39.000 0.063 0.000 0.965 19 F HN -0.012 nan 8.300 nan 0.000 0.480 20 V N -1.032 118.952 119.914 0.117 0.000 2.380 20 V HA -0.298 3.821 4.120 -0.001 0.000 0.251 20 V C 2.177 178.293 176.094 0.036 0.000 1.063 20 V CA 2.142 64.445 62.300 0.005 0.000 1.055 20 V CB -1.355 30.513 31.823 0.075 0.000 0.657 20 V HN 0.451 nan 8.190 nan 0.000 0.455 21 E N 1.256 121.472 120.200 0.028 0.000 2.086 21 E HA -0.251 4.098 4.350 -0.001 0.000 0.200 21 E C 2.288 178.854 176.600 -0.058 0.000 1.012 21 E CA 2.182 58.581 56.400 -0.001 0.000 0.812 21 E CB -0.445 29.252 29.700 -0.004 0.000 0.743 21 E HN 0.678 nan 8.360 nan 0.000 0.453 22 R N -1.117 119.301 120.500 -0.137 0.000 2.154 22 R HA -0.183 4.156 4.340 -0.001 0.000 0.248 22 R C 1.968 177.918 176.300 -0.583 0.000 1.155 22 R CA 1.615 57.488 56.100 -0.379 0.000 0.979 22 R CB -0.435 29.521 30.300 -0.572 0.000 0.869 22 R HN 0.252 nan 8.270 nan 0.000 0.452 23 F N 0.513 120.222 119.950 -0.401 0.000 2.754 23 F HA 0.114 4.641 4.527 -0.001 0.000 0.297 23 F C 0.599 176.339 175.800 -0.099 0.000 1.122 23 F CA 0.129 57.885 58.000 -0.406 0.000 1.400 23 F CB 0.253 38.816 39.000 -0.728 0.000 1.117 23 F HN -0.233 nan 8.300 nan 0.000 0.587 24 E N 2.212 122.455 120.200 0.072 0.000 1.993 24 E HA 0.272 4.622 4.350 -0.001 0.000 0.271 24 E C -0.113 176.509 176.600 0.037 0.000 1.008 24 E CA -0.138 56.314 56.400 0.087 0.000 0.814 24 E CB 0.485 30.227 29.700 0.070 0.000 1.098 24 E HN 0.081 nan 8.360 nan 0.000 0.407 25 R N 0.469 121.001 120.500 0.054 0.000 3.049 25 R HA -0.066 4.273 4.340 -0.001 0.000 0.271 25 R C -2.554 173.742 176.300 -0.007 0.000 1.087 25 R CA -0.281 55.834 56.100 0.026 0.000 0.711 25 R CB -2.686 27.618 30.300 0.008 0.000 1.373 25 R HN 0.426 nan 8.270 nan 0.000 0.385 26 P HA -0.017 nan 4.420 nan 0.000 0.257 26 P C -0.055 177.215 177.300 -0.051 0.000 1.162 26 P CA 0.719 63.799 63.100 -0.034 0.000 0.762 26 P CB 0.567 32.361 31.700 0.158 0.000 0.753 27 S N 1.238 116.860 115.700 -0.130 0.000 2.548 27 S HA 0.586 5.056 4.470 -0.001 0.000 0.286 27 S C 1.376 175.913 174.600 -0.106 0.000 1.098 27 S CA -0.317 57.837 58.200 -0.077 0.000 0.930 27 S CB 1.886 65.046 63.200 -0.067 0.000 1.070 27 S HN 0.392 nan 8.310 nan 0.000 0.480 28 G N 1.400 110.204 108.800 0.007 0.000 2.442 28 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.219 28 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.219 28 G C 0.880 175.811 174.900 0.051 0.000 1.141 28 G CA 1.074 46.237 45.100 0.105 0.000 0.763 28 G HN 0.764 nan 8.290 nan 0.000 0.554 29 E N 0.708 120.911 120.200 0.004 0.000 2.047 29 E HA -0.006 4.344 4.350 -0.001 0.000 0.191 29 E C 2.443 179.004 176.600 -0.064 0.000 0.987 29 E CA 1.004 57.400 56.400 -0.008 0.000 0.799 29 E CB -0.163 29.532 29.700 -0.009 0.000 0.752 29 E HN 0.357 nan 8.360 nan 0.000 0.449 30 K N 0.197 120.521 120.400 -0.127 0.000 2.147 30 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 30 K C 1.873 178.298 176.600 -0.293 0.000 1.049 30 K CA 0.774 56.950 56.287 -0.184 0.000 0.936 30 K CB -0.022 32.352 32.500 -0.209 0.000 0.722 30 K HN 0.110 nan 8.250 nan 0.000 0.446 31 I N 0.869 121.183 120.570 -0.426 0.000 2.233 31 I HA -0.142 4.028 4.170 -0.001 0.000 0.243 31 I C 2.408 178.358 176.117 -0.279 0.000 1.093 31 I CA 1.004 61.919 61.300 -0.642 0.000 1.380 31 I CB -1.304 35.969 38.000 -1.212 0.000 1.067 31 I HN 0.038 nan 8.210 nan 0.000 0.413 32 A N 0.779 123.567 122.820 -0.053 0.000 2.131 32 A HA -0.104 4.216 4.320 -0.001 0.000 0.220 32 A C 2.142 179.762 177.584 0.060 0.000 1.158 32 A CA 1.110 53.221 52.037 0.123 0.000 0.665 32 A CB -0.733 18.369 19.000 0.170 0.000 0.795 32 A HN 0.470 nan 8.150 nan 0.000 0.460 33 L N -0.350 120.876 121.223 0.005 0.000 2.611 33 L HA 0.001 4.341 4.340 -0.001 0.000 0.229 33 L C 2.021 178.921 176.870 0.050 0.000 1.137 33 L CA 0.254 55.110 54.840 0.026 0.000 0.901 33 L CB -0.146 41.918 42.059 0.008 0.000 1.098 33 L HN 0.689 nan 8.230 nan 0.000 0.456 34 C N -1.763 117.568 119.300 0.052 0.000 2.576 34 C HA 0.288 4.747 4.460 -0.001 0.000 0.267 34 C C 2.710 177.812 174.990 0.187 0.000 1.364 34 C CA -0.105 59.012 59.018 0.164 0.000 1.723 34 C CB -0.969 26.883 27.740 0.187 0.000 1.778 34 C HN 0.470 nan 8.230 nan 0.000 0.572 35 A N 2.014 124.897 122.820 0.105 0.000 1.873 35 A HA 0.091 4.410 4.320 -0.001 0.000 0.218 35 A C 2.653 180.285 177.584 0.080 0.000 1.193 35 A CA 2.580 54.650 52.037 0.055 0.000 0.629 35 A CB -1.372 17.650 19.000 0.038 0.000 0.826 35 A HN 1.032 nan 8.150 nan 0.000 0.447 36 A N -0.528 122.373 122.820 0.136 0.000 1.865 36 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 36 A C 1.931 179.680 177.584 0.274 0.000 1.191 36 A CA 1.925 54.115 52.037 0.255 0.000 0.623 36 A CB -0.709 18.471 19.000 0.301 0.000 0.826 36 A HN 0.622 nan 8.150 nan 0.000 0.444 37 E N -0.940 119.372 120.200 0.187 0.000 2.085 37 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 37 E C 1.911 178.515 176.600 0.007 0.000 0.994 37 E CA 1.303 57.773 56.400 0.117 0.000 0.801 37 E CB -0.228 29.605 29.700 0.220 0.000 0.743 37 E HN 0.465 nan 8.360 nan 0.000 0.453 38 L N 0.604 121.839 121.223 0.021 0.000 2.027 38 L HA -0.159 4.181 4.340 -0.001 0.000 0.206 38 L C 2.160 179.011 176.870 -0.032 0.000 1.074 38 L CA 1.904 56.676 54.840 -0.113 0.000 0.745 38 L CB -0.854 41.137 42.059 -0.113 0.000 0.898 38 L HN 0.079 nan 8.230 nan 0.000 0.433 39 T N -1.308 113.303 114.554 0.095 0.000 2.607 39 T HA -0.313 4.036 4.350 -0.001 0.000 0.267 39 T C 1.690 176.610 174.700 0.367 0.000 1.049 39 T CA 2.149 64.398 62.100 0.248 0.000 1.162 39 T CB -0.696 68.281 68.868 0.181 0.000 0.863 39 T HN 0.502 nan 8.240 nan 0.000 0.424 40 Y N 1.167 121.636 120.300 0.283 0.000 2.114 40 Y HA -0.208 4.342 4.550 -0.001 0.000 0.282 40 Y C 2.138 178.130 175.900 0.154 0.000 1.165 40 Y CA 1.186 59.429 58.100 0.238 0.000 1.148 40 Y CB -0.490 38.047 38.460 0.129 0.000 0.972 40 Y HN 0.065 nan 8.280 nan 0.000 0.504 41 L N -0.266 121.050 121.223 0.155 0.000 2.017 41 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 41 L C 2.577 179.398 176.870 -0.082 0.000 1.073 41 L CA 1.813 56.626 54.840 -0.045 0.000 0.745 41 L CB -1.183 40.712 42.059 -0.273 0.000 0.894 41 L HN 0.464 nan 8.230 nan 0.000 0.432 42 C N -1.773 117.484 119.300 -0.071 0.000 2.422 42 C HA -0.202 4.258 4.460 -0.001 0.000 0.279 42 C C 2.557 177.550 174.990 0.004 0.000 1.305 42 C CA 0.248 59.156 59.018 -0.184 0.000 1.757 42 C CB -1.348 26.065 27.740 -0.545 0.000 1.962 42 C HN 0.762 nan 8.230 nan 0.000 0.499 43 W N 1.096 122.425 121.300 0.049 0.000 2.407 43 W HA -0.061 4.599 4.660 -0.001 0.000 0.305 43 W C 2.044 178.621 176.519 0.096 0.000 1.196 43 W CA 1.121 58.578 57.345 0.187 0.000 1.311 43 W CB -0.554 28.974 29.460 0.113 0.000 1.135 43 W HN 0.189 nan 8.180 nan 0.000 0.514 44 M N 0.572 120.219 119.600 0.078 0.000 2.279 44 M HA -0.187 4.293 4.480 -0.001 0.000 0.264 44 M C 1.957 178.208 176.300 -0.082 0.000 1.062 44 M CA 1.233 56.498 55.300 -0.058 0.000 1.099 44 M CB -1.371 31.104 32.600 -0.208 0.000 1.394 44 M HN 0.091 nan 8.290 nan 0.000 0.426 45 I N -0.056 120.462 120.570 -0.087 0.000 2.277 45 I HA -0.227 3.942 4.170 -0.001 0.000 0.243 45 I C 2.209 178.242 176.117 -0.139 0.000 1.094 45 I CA 1.715 62.949 61.300 -0.109 0.000 1.393 45 I CB -0.568 37.357 38.000 -0.125 0.000 1.078 45 I HN 0.326 nan 8.210 nan 0.000 0.417 46 T N -2.667 111.792 114.554 -0.158 0.000 3.072 46 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 46 T C 0.918 175.267 174.700 -0.584 0.000 1.127 46 T CA 1.020 62.942 62.100 -0.297 0.000 1.107 46 T CB -0.409 68.308 68.868 -0.251 0.000 0.910 46 T HN 0.379 nan 8.240 nan 0.000 0.513 47 H N 0.837 119.662 119.070 -0.408 0.000 2.567 47 H HA 0.419 4.975 4.556 -0.001 0.000 0.267 47 H C 0.069 175.266 175.328 -0.218 0.000 1.148 47 H CA -1.219 54.590 56.048 -0.399 0.000 1.031 47 H CB -0.651 28.683 29.762 -0.713 0.000 1.691 47 H HN 0.361 nan 8.280 nan 0.000 0.588 48 N N 1.354 119.993 118.700 -0.101 0.000 2.698 48 N HA -0.267 4.473 4.740 -0.001 0.000 0.258 48 N C 0.853 176.351 175.510 -0.020 0.000 0.978 48 N CA 0.359 53.374 53.050 -0.059 0.000 0.777 48 N CB -0.633 37.820 38.487 -0.057 0.000 0.907 48 N HN 0.833 nan 8.380 nan 0.000 0.543 49 G N -1.594 107.200 108.800 -0.010 0.000 2.179 49 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.260 49 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.260 49 G C 0.322 175.265 174.900 0.072 0.000 0.977 49 G CA 0.467 45.581 45.100 0.023 0.000 0.641 49 G HN 0.437 nan 8.290 nan 0.000 0.533 50 T N 1.506 116.123 114.554 0.104 0.000 2.926 50 T HA 0.536 4.885 4.350 -0.001 0.000 0.307 50 T C 1.094 175.977 174.700 0.305 0.000 1.059 50 T CA 0.526 62.728 62.100 0.171 0.000 1.122 50 T CB 1.159 70.136 68.868 0.182 0.000 0.972 50 T HN 1.382 nan 8.240 nan 0.000 0.545 51 A N 2.323 125.275 122.820 0.219 0.000 2.448 51 A HA 0.471 4.790 4.320 -0.001 0.000 0.239 51 A C -0.009 177.639 177.584 0.107 0.000 1.080 51 A CA -0.330 51.800 52.037 0.154 0.000 0.779 51 A CB -0.057 18.988 19.000 0.075 0.000 1.026 51 A HN 0.724 nan 8.150 nan 0.000 0.499 52 I N 0.297 120.755 120.570 -0.187 0.000 2.404 52 I HA 0.400 4.569 4.170 -0.001 0.000 0.293 52 I C -0.062 175.873 176.117 -0.303 0.000 0.992 52 I CA -0.494 60.397 61.300 -0.682 0.000 1.149 52 I CB 1.438 38.884 38.000 -0.924 0.000 1.315 52 I HN 0.665 nan 8.210 nan 0.000 0.446 53 K N 6.028 126.181 120.400 -0.412 0.000 2.154 53 K HA 0.322 4.642 4.320 -0.001 0.000 0.264 53 K C 1.050 177.355 176.600 -0.492 0.000 1.008 53 K CA -0.451 55.657 56.287 -0.298 0.000 0.937 53 K CB 0.985 33.323 32.500 -0.271 0.000 1.002 53 K HN 0.553 nan 8.250 nan 0.000 0.469 54 R N 1.832 121.891 120.500 -0.735 0.000 2.122 54 R HA -0.289 4.051 4.340 -0.001 0.000 0.236 54 R C 1.899 177.800 176.300 -0.664 0.000 1.129 54 R CA 2.336 57.633 56.100 -1.339 0.000 0.925 54 R CB -0.472 29.314 30.300 -0.857 0.000 0.850 54 R HN 0.824 nan 8.270 nan 0.000 0.431 55 A N -0.172 122.406 122.820 -0.405 0.000 1.883 55 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 55 A C 2.269 179.666 177.584 -0.312 0.000 1.186 55 A CA 2.236 54.108 52.037 -0.276 0.000 0.624 55 A CB -1.052 17.830 19.000 -0.197 0.000 0.822 55 A HN 0.556 nan 8.150 nan 0.000 0.444 56 T N -0.804 113.509 114.554 -0.401 0.000 2.746 56 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 56 T C 1.589 175.903 174.700 -0.643 0.000 1.039 56 T CA 1.548 63.291 62.100 -0.595 0.000 1.142 56 T CB -0.425 68.012 68.868 -0.718 0.000 0.866 56 T HN 0.527 nan 8.240 nan 0.000 0.444 57 F N 2.054 121.663 119.950 -0.567 0.000 2.075 57 F HA -0.135 4.392 4.527 -0.001 0.000 0.297 57 F C 2.244 177.944 175.800 -0.167 0.000 1.113 57 F CA 1.406 59.212 58.000 -0.324 0.000 1.218 57 F CB -0.393 38.499 39.000 -0.181 0.000 0.984 57 F HN -0.002 nan 8.300 nan 0.000 0.472 58 M N -0.120 119.299 119.600 -0.302 0.000 2.073 58 M HA -0.245 4.234 4.480 -0.001 0.000 0.258 58 M C 2.587 178.734 176.300 -0.255 0.000 1.070 58 M CA 1.976 57.106 55.300 -0.283 0.000 1.103 58 M CB -1.456 31.078 32.600 -0.110 0.000 1.321 58 M HN 0.406 nan 8.290 nan 0.000 0.405 59 S N 0.017 115.593 115.700 -0.207 0.000 2.365 59 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 59 S C 1.919 176.520 174.600 0.001 0.000 1.039 59 S CA 1.326 59.463 58.200 -0.106 0.000 1.033 59 S CB -0.310 62.825 63.200 -0.109 0.000 0.887 59 S HN 0.392 nan 8.310 nan 0.000 0.447 60 Y N 2.233 122.367 120.300 -0.276 0.000 2.314 60 Y HA 0.063 4.612 4.550 -0.001 0.000 0.293 60 Y C 2.547 178.313 175.900 -0.223 0.000 1.129 60 Y CA 0.355 58.304 58.100 -0.252 0.000 1.201 60 Y CB -1.418 36.932 38.460 -0.184 0.000 0.999 60 Y HN 0.493 nan 8.280 nan 0.000 0.541 61 N N -0.347 118.236 118.700 -0.196 0.000 2.043 61 N HA -0.184 4.555 4.740 -0.001 0.000 0.193 61 N C 1.488 176.936 175.510 -0.104 0.000 1.037 61 N CA 2.127 55.033 53.050 -0.241 0.000 0.851 61 N CB 0.064 38.268 38.487 -0.472 0.000 1.027 61 N HN 0.235 nan 8.380 nan 0.000 0.422 62 T N 1.686 116.185 114.554 -0.092 0.000 2.720 62 T HA -0.098 4.252 4.350 -0.001 0.000 0.268 62 T C 1.981 176.681 174.700 0.001 0.000 1.037 62 T CA 1.014 63.095 62.100 -0.032 0.000 1.144 62 T CB -0.197 68.655 68.868 -0.027 0.000 0.864 62 T HN 0.263 nan 8.240 nan 0.000 0.444 63 I N 0.294 120.846 120.570 -0.030 0.000 2.335 63 I HA -0.139 4.031 4.170 -0.001 0.000 0.251 63 I C 2.202 178.368 176.117 0.081 0.000 1.129 63 I CA 1.262 62.558 61.300 -0.008 0.000 1.402 63 I CB -0.321 37.546 38.000 -0.222 0.000 1.069 63 I HN 0.256 nan 8.210 nan 0.000 0.424 64 I N -0.305 120.302 120.570 0.061 0.000 2.333 64 I HA -0.217 3.953 4.170 -0.001 0.000 0.246 64 I C 2.584 178.750 176.117 0.082 0.000 1.106 64 I CA 0.965 62.317 61.300 0.086 0.000 1.411 64 I CB -0.143 37.835 38.000 -0.036 0.000 1.082 64 I HN 0.101 nan 8.210 nan 0.000 0.420 65 S N 1.175 116.904 115.700 0.050 0.000 2.370 65 S HA -0.148 4.322 4.470 -0.001 0.000 0.226 65 S C 1.461 176.109 174.600 0.079 0.000 1.033 65 S CA 1.308 59.543 58.200 0.059 0.000 1.011 65 S CB -0.337 62.887 63.200 0.039 0.000 0.852 65 S HN 0.454 nan 8.310 nan 0.000 0.457 66 N N 1.011 119.762 118.700 0.085 0.000 2.449 66 N HA 0.062 4.802 4.740 -0.001 0.000 0.191 66 N C 1.017 176.593 175.510 0.111 0.000 1.161 66 N CA 0.706 53.810 53.050 0.090 0.000 0.863 66 N CB 0.224 38.767 38.487 0.093 0.000 0.980 66 N HN 0.565 nan 8.380 nan 0.000 0.458 67 S N -1.338 114.448 115.700 0.142 0.000 2.679 67 S HA 0.167 4.636 4.470 -0.001 0.000 0.258 67 S C 0.295 175.020 174.600 0.209 0.000 1.068 67 S CA -0.487 57.816 58.200 0.172 0.000 1.115 67 S CB 0.108 63.438 63.200 0.218 0.000 1.078 67 S HN 0.043 nan 8.310 nan 0.000 0.603 68 L N 3.714 125.065 121.223 0.213 0.000 2.534 68 L HA 0.569 4.908 4.340 -0.001 0.000 0.271 68 L C -0.128 176.861 176.870 0.199 0.000 1.178 68 L CA 0.645 55.645 54.840 0.267 0.000 0.907 68 L CB 0.622 42.824 42.059 0.238 0.000 1.164 68 L HN 0.358 nan 8.230 nan 0.000 0.482 69 S N 5.322 121.159 115.700 0.227 0.000 2.541 69 S HA 0.879 5.349 4.470 -0.001 0.000 0.280 69 S C -1.023 173.685 174.600 0.180 0.000 1.112 69 S CA -0.567 57.667 58.200 0.057 0.000 0.925 69 S CB 0.730 63.956 63.200 0.042 0.000 1.067 69 S HN 0.554 nan 8.310 nan 0.000 0.479 70 F N 0.934 120.962 119.950 0.130 0.000 2.693 70 F HA 0.688 5.214 4.527 -0.001 0.000 0.309 70 F C -1.480 174.399 175.800 0.133 0.000 1.129 70 F CA -1.059 57.042 58.000 0.169 0.000 0.948 70 F CB 1.029 40.164 39.000 0.226 0.000 1.315 70 F HN 0.421 nan 8.300 nan 0.000 0.447 71 D N 2.062 122.719 120.400 0.428 0.000 2.454 71 D HA 0.372 5.012 4.640 -0.001 0.000 0.247 71 D C 0.616 177.060 176.300 0.241 0.000 1.129 71 D CA -0.291 53.849 54.000 0.234 0.000 0.877 71 D CB 1.300 42.139 40.800 0.065 0.000 1.082 71 D HN 0.529 nan 8.370 nan 0.000 0.537 72 I N 3.081 123.855 120.570 0.341 0.000 2.493 72 I HA -0.185 3.985 4.170 -0.001 0.000 0.254 72 I C 2.319 178.433 176.117 -0.006 0.000 1.160 72 I CA 0.616 62.065 61.300 0.248 0.000 1.445 72 I CB -0.343 37.807 38.000 0.250 0.000 1.086 72 I HN 0.292 nan 8.210 nan 0.000 0.433 73 V N 0.563 120.469 119.914 -0.014 0.000 2.255 73 V HA -0.191 3.928 4.120 -0.001 0.000 0.243 73 V C 1.763 177.761 176.094 -0.160 0.000 1.038 73 V CA 2.001 64.260 62.300 -0.068 0.000 1.008 73 V CB -0.826 30.978 31.823 -0.031 0.000 0.645 73 V HN 0.381 nan 8.190 nan 0.000 0.449 74 N N -0.532 118.068 118.700 -0.166 0.000 2.398 74 N HA 0.082 4.822 4.740 -0.001 0.000 0.188 74 N C -0.041 175.229 175.510 -0.399 0.000 1.122 74 N CA 0.003 52.926 53.050 -0.211 0.000 0.866 74 N CB -0.154 38.260 38.487 -0.123 0.000 0.970 74 N HN 0.401 nan 8.380 nan 0.000 0.462 75 K N 0.242 120.229 120.400 -0.688 0.000 3.689 75 K HA -0.163 4.156 4.320 -0.001 0.000 0.276 75 K C -0.995 175.076 176.600 -0.882 0.000 0.932 75 K CA 0.496 55.773 56.287 -1.684 0.000 0.758 75 K CB -2.068 29.256 32.500 -1.960 0.000 1.500 75 K HN 0.322 nan 8.250 nan 0.000 0.448 76 S N 0.263 115.837 115.700 -0.211 0.000 2.536 76 S HA 0.815 5.284 4.470 -0.001 0.000 0.287 76 S C -0.715 174.090 174.600 0.341 0.000 1.101 76 S CA -1.147 57.107 58.200 0.089 0.000 0.950 76 S CB 2.707 65.917 63.200 0.016 0.000 1.056 76 S HN 0.368 nan 8.310 nan 0.000 0.481 77 L N 2.440 123.806 121.223 0.237 0.000 2.455 77 L HA 0.654 4.993 4.340 -0.001 0.000 0.264 77 L C -1.278 175.750 176.870 0.263 0.000 0.968 77 L CA -0.388 54.644 54.840 0.319 0.000 0.827 77 L CB 1.986 44.234 42.059 0.316 0.000 1.317 77 L HN 1.052 nan 8.230 nan 0.000 0.407 78 Q N 3.416 123.402 119.800 0.310 0.000 2.495 78 Q HA 0.825 5.165 4.340 -0.001 0.000 0.287 78 Q C -1.471 174.747 176.000 0.362 0.000 1.078 78 Q CA -0.791 55.133 55.803 0.201 0.000 0.793 78 Q CB 2.798 31.586 28.738 0.084 0.000 1.459 78 Q HN 0.601 nan 8.270 nan 0.000 0.422 79 F N -2.907 117.136 119.950 0.156 0.000 2.878 79 F HA 0.542 5.069 4.527 -0.001 0.000 0.322 79 F C -1.944 173.938 175.800 0.137 0.000 1.154 79 F CA -1.326 56.763 58.000 0.150 0.000 0.896 79 F CB 1.073 40.183 39.000 0.182 0.000 1.313 79 F HN 0.454 nan 8.300 nan 0.000 0.451 80 K N 0.772 121.407 120.400 0.392 0.000 2.110 80 K HA 0.620 4.940 4.320 -0.001 0.000 0.263 80 K C -2.036 174.813 176.600 0.414 0.000 0.975 80 K CA -0.930 55.521 56.287 0.273 0.000 0.895 80 K CB 1.979 34.636 32.500 0.262 0.000 1.060 80 K HN 0.745 nan 8.250 nan 0.000 0.448 81 Y N 0.555 120.911 120.300 0.094 0.000 2.409 81 Y HA 0.133 4.682 4.550 -0.001 0.000 0.321 81 Y C -1.428 174.428 175.900 -0.073 0.000 1.209 81 Y CA -0.882 57.224 58.100 0.009 0.000 1.086 81 Y CB 1.302 39.862 38.460 0.167 0.000 1.320 81 Y HN 0.394 nan 8.280 nan 0.000 0.440 82 K N 4.349 124.340 120.400 -0.682 0.000 2.336 82 K HA 0.409 4.729 4.320 -0.001 0.000 0.290 82 K C -0.590 175.939 176.600 -0.118 0.000 1.067 82 K CA 0.402 56.473 56.287 -0.359 0.000 0.962 82 K CB 0.658 32.888 32.500 -0.450 0.000 1.008 82 K HN 0.647 nan 8.250 nan 0.000 0.467 83 T N 0.845 115.448 114.554 0.081 0.000 2.843 83 T HA 0.063 4.412 4.350 -0.001 0.000 0.337 83 T C -0.299 174.449 174.700 0.079 0.000 1.754 83 T CA -0.648 61.532 62.100 0.133 0.000 1.052 83 T CB 1.261 70.291 68.868 0.270 0.000 1.588 83 T HN 0.429 nan 8.240 nan 0.000 0.493 84 Q N 0.997 120.825 119.800 0.047 0.000 2.304 84 Q HA 0.156 4.496 4.340 -0.001 0.000 0.204 84 Q C 0.306 176.311 176.000 0.008 0.000 0.936 84 Q CA 0.769 56.587 55.803 0.025 0.000 0.878 84 Q CB 0.059 28.806 28.738 0.014 0.000 0.983 84 Q HN 0.613 nan 8.270 nan 0.000 0.516 85 K N 1.355 121.751 120.400 -0.006 0.000 2.121 85 K HA 0.428 4.747 4.320 -0.001 0.000 0.235 85 K C 0.663 177.247 176.600 -0.027 0.000 1.200 85 K CA 0.118 56.389 56.287 -0.027 0.000 1.115 85 K CB 0.511 32.977 32.500 -0.056 0.000 1.474 85 K HN -0.014 nan 8.250 nan 0.000 0.295 86 A N 2.330 125.137 122.820 -0.022 0.000 1.850 86 A HA -0.083 4.237 4.320 -0.001 0.000 0.212 86 A C 2.084 179.643 177.584 -0.042 0.000 1.208 86 A CA 1.137 53.153 52.037 -0.035 0.000 0.609 86 A CB -0.531 18.450 19.000 -0.033 0.000 0.860 86 A HN 0.568 nan 8.150 nan 0.000 0.448 87 T N 1.419 115.955 114.554 -0.030 0.000 2.624 87 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 87 T C 1.791 176.470 174.700 -0.035 0.000 1.041 87 T CA 1.880 63.965 62.100 -0.024 0.000 1.159 87 T CB -0.520 68.338 68.868 -0.018 0.000 0.863 87 T HN 0.296 nan 8.240 nan 0.000 0.434 88 I N 0.902 121.446 120.570 -0.044 0.000 2.151 88 I HA -0.115 4.054 4.170 -0.001 0.000 0.243 88 I C 2.392 178.464 176.117 -0.076 0.000 1.080 88 I CA 1.142 62.408 61.300 -0.057 0.000 1.339 88 I CB -1.611 36.350 38.000 -0.065 0.000 1.039 88 I HN 0.207 nan 8.210 nan 0.000 0.409 89 L N 1.059 122.230 121.223 -0.086 0.000 2.017 89 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 89 L C 2.525 179.324 176.870 -0.119 0.000 1.073 89 L CA 1.782 56.553 54.840 -0.114 0.000 0.745 89 L CB -0.705 41.279 42.059 -0.126 0.000 0.894 89 L HN 0.255 nan 8.230 nan 0.000 0.432 90 E N -0.260 119.893 120.200 -0.079 0.000 2.023 90 E HA -0.264 4.085 4.350 -0.001 0.000 0.196 90 E C 2.160 178.723 176.600 -0.063 0.000 1.003 90 E CA 1.252 57.629 56.400 -0.038 0.000 0.809 90 E CB -0.498 29.215 29.700 0.022 0.000 0.755 90 E HN 0.633 nan 8.360 nan 0.000 0.449 91 A N 1.544 124.340 122.820 -0.041 0.000 1.859 91 A HA -0.298 4.022 4.320 -0.001 0.000 0.218 91 A C 2.436 179.969 177.584 -0.085 0.000 1.209 91 A CA 2.346 54.362 52.037 -0.035 0.000 0.639 91 A CB -1.025 17.957 19.000 -0.029 0.000 0.835 91 A HN 0.192 nan 8.150 nan 0.000 0.450 92 S N -0.221 115.415 115.700 -0.107 0.000 2.389 92 S HA -0.205 4.265 4.470 -0.001 0.000 0.231 92 S C 1.808 176.284 174.600 -0.207 0.000 1.052 92 S CA 1.746 59.868 58.200 -0.131 0.000 1.053 92 S CB -0.568 62.555 63.200 -0.128 0.000 0.886 92 S HN 0.476 nan 8.310 nan 0.000 0.456 93 L N 0.828 121.849 121.223 -0.336 0.000 2.093 93 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 93 L C 2.553 179.001 176.870 -0.703 0.000 1.085 93 L CA 1.212 55.659 54.840 -0.655 0.000 0.755 93 L CB -0.414 41.000 42.059 -1.075 0.000 0.904 93 L HN 0.281 nan 8.230 nan 0.000 0.435 94 K N 0.796 120.971 120.400 -0.376 0.000 2.147 94 K HA -0.249 4.071 4.320 -0.001 0.000 0.205 94 K C 2.147 178.761 176.600 0.024 0.000 1.049 94 K CA 1.389 57.694 56.287 0.030 0.000 0.936 94 K CB 0.082 32.682 32.500 0.167 0.000 0.722 94 K HN 0.114 nan 8.250 nan 0.000 0.446 95 K N 0.917 121.289 120.400 -0.046 0.000 1.978 95 K HA -0.173 4.146 4.320 -0.001 0.000 0.214 95 K C 2.009 178.602 176.600 -0.011 0.000 1.049 95 K CA 1.757 58.033 56.287 -0.018 0.000 0.939 95 K CB -0.275 32.203 32.500 -0.037 0.000 0.721 95 K HN 0.114 nan 8.250 nan 0.000 0.441 96 L N 0.436 121.627 121.223 -0.054 0.000 2.089 96 L HA -0.141 4.199 4.340 -0.001 0.000 0.213 96 L C 0.934 177.806 176.870 0.003 0.000 1.079 96 L CA 1.084 55.909 54.840 -0.025 0.000 0.758 96 L CB -0.213 41.824 42.059 -0.037 0.000 0.891 96 L HN 0.293 nan 8.230 nan 0.000 0.433 97 I N -1.151 119.426 120.570 0.011 0.000 2.623 97 I HA 0.143 4.312 4.170 -0.001 0.000 0.275 97 I C -1.792 174.477 176.117 0.254 0.000 1.108 97 I CA -1.407 59.949 61.300 0.094 0.000 1.120 97 I CB 1.581 39.544 38.000 -0.060 0.000 1.249 97 I HN -0.190 nan 8.210 nan 0.000 0.500 98 P HA -0.209 nan 4.420 nan 0.000 0.216 98 P C 1.266 178.694 177.300 0.214 0.000 1.154 98 P CA 1.172 64.380 63.100 0.179 0.000 0.865 98 P CB 0.332 32.103 31.700 0.118 0.000 0.789 99 A N -3.223 119.755 122.820 0.263 0.000 2.327 99 A HA 0.108 4.428 4.320 -0.001 0.000 0.228 99 A C -0.202 177.453 177.584 0.118 0.000 1.275 99 A CA -0.040 52.102 52.037 0.176 0.000 0.875 99 A CB -1.034 18.047 19.000 0.136 0.000 0.925 99 A HN 0.155 nan 8.150 nan 0.000 0.493 100 W N -1.696 119.643 121.300 0.066 0.000 2.864 100 W HA 0.610 5.269 4.660 -0.001 0.000 0.343 100 W C -0.350 176.134 176.519 -0.060 0.000 1.109 100 W CA -0.644 56.666 57.345 -0.059 0.000 1.192 100 W CB 1.277 30.603 29.460 -0.224 0.000 1.426 100 W HN 0.024 nan 8.180 nan 0.000 0.529 101 E N 1.608 121.828 120.200 0.033 0.000 2.114 101 E HA 0.425 4.775 4.350 -0.001 0.000 0.266 101 E C -1.546 175.029 176.600 -0.042 0.000 0.896 101 E CA -0.613 55.825 56.400 0.064 0.000 0.750 101 E CB 0.299 30.017 29.700 0.028 0.000 1.121 101 E HN 0.109 nan 8.360 nan 0.000 0.413 102 F N 2.018 122.055 119.950 0.145 0.000 2.408 102 F HA 0.436 4.963 4.527 -0.001 0.000 0.344 102 F C 0.539 176.352 175.800 0.023 0.000 1.112 102 F CA -0.550 57.520 58.000 0.116 0.000 1.096 102 F CB 1.943 41.003 39.000 0.101 0.000 1.129 102 F HN 0.117 nan 8.300 nan 0.000 0.486 103 T N 5.130 119.749 114.554 0.109 0.000 2.864 103 T HA 0.451 4.801 4.350 -0.001 0.000 0.299 103 T C -0.335 174.266 174.700 -0.166 0.000 1.011 103 T CA -0.456 61.640 62.100 -0.007 0.000 0.975 103 T CB 0.560 69.430 68.868 0.004 0.000 0.962 103 T HN 0.180 nan 8.240 nan 0.000 0.448 104 I N 4.641 125.087 120.570 -0.207 0.000 2.352 104 I HA 0.360 4.529 4.170 -0.001 0.000 0.290 104 I C 0.234 176.238 176.117 -0.189 0.000 1.036 104 I CA -0.523 60.578 61.300 -0.332 0.000 1.336 104 I CB 0.739 38.583 38.000 -0.260 0.000 1.407 104 I HN 0.578 nan 8.210 nan 0.000 0.497 105 I N 8.717 129.179 120.570 -0.180 0.000 2.336 105 I HA 0.246 4.416 4.170 -0.001 0.000 0.292 105 I C -2.000 174.047 176.117 -0.117 0.000 0.991 105 I CA -1.900 59.323 61.300 -0.129 0.000 1.227 105 I CB 1.832 39.779 38.000 -0.089 0.000 1.366 105 I HN 0.289 nan 8.210 nan 0.000 0.466 106 P HA -0.079 nan 4.420 nan 0.000 0.270 106 P C -0.981 176.165 177.300 -0.256 0.000 1.242 106 P CA 0.043 63.025 63.100 -0.197 0.000 0.768 106 P CB 0.219 31.763 31.700 -0.260 0.000 0.820 107 Y N 7.329 127.546 120.300 -0.138 0.000 2.584 107 Y HA 0.133 4.682 4.550 -0.001 0.000 0.351 107 Y C 0.043 175.997 175.900 0.090 0.000 1.030 107 Y CA 0.256 58.334 58.100 -0.037 0.000 1.332 107 Y CB -0.225 38.216 38.460 -0.032 0.000 1.148 107 Y HN 0.440 nan 8.280 nan 0.000 0.528 108 Y N 1.882 122.087 120.300 -0.158 0.000 3.286 108 Y HA 0.869 5.418 4.550 -0.001 0.000 0.270 108 Y C -0.239 175.585 175.900 -0.126 0.000 2.084 108 Y CA -1.502 56.551 58.100 -0.079 0.000 1.003 108 Y CB 1.207 39.662 38.460 -0.008 0.000 1.695 108 Y HN 0.380 nan 8.280 nan 0.000 0.495 109 G N 1.281 110.018 108.800 -0.105 0.000 3.846 109 G HA2 0.124 4.083 3.960 -0.001 0.000 0.281 109 G HA3 0.124 4.083 3.960 -0.001 0.000 0.281 109 G C -0.679 173.917 174.900 -0.506 0.000 1.384 109 G CA -0.421 44.499 45.100 -0.301 0.000 0.641 109 G HN 0.596 nan 8.290 nan 0.000 0.458 110 Q N 1.136 120.255 119.800 -1.136 0.000 2.387 110 Q HA 0.126 4.465 4.340 -0.001 0.000 0.211 110 Q C 0.324 176.093 176.000 -0.385 0.000 0.952 110 Q CA 0.173 55.558 55.803 -0.696 0.000 0.957 110 Q CB -0.224 28.061 28.738 -0.756 0.000 1.002 110 Q HN 0.371 nan 8.270 nan 0.000 0.502 111 K N -0.607 119.598 120.400 -0.325 0.000 1.814 111 K HA -0.200 4.119 4.320 -0.001 0.000 0.820 111 K C -0.852 175.726 176.600 -0.036 0.000 2.437 111 K CA 0.760 56.958 56.287 -0.148 0.000 1.524 111 K CB -1.211 31.184 32.500 -0.176 0.000 2.773 111 K HN 0.562 nan 8.250 nan 0.000 0.164 112 H N 1.441 120.439 119.070 -0.119 0.000 3.016 112 H HA -0.022 4.533 4.556 -0.001 0.000 0.345 112 H C 0.802 176.081 175.328 -0.082 0.000 1.066 112 H CA -0.456 55.542 56.048 -0.085 0.000 1.390 112 H CB 0.409 30.139 29.762 -0.053 0.000 1.344 112 H HN 0.158 nan 8.280 nan 0.000 0.605 113 Q N 1.734 121.572 119.800 0.063 0.000 2.285 113 Q HA -0.053 4.286 4.340 -0.001 0.000 0.191 113 Q C 0.235 176.248 176.000 0.021 0.000 0.860 113 Q CA 0.129 55.945 55.803 0.022 0.000 1.015 113 Q CB -0.687 28.067 28.738 0.026 0.000 1.118 113 Q HN 0.517 nan 8.270 nan 0.000 0.455 114 S N 1.818 117.530 115.700 0.020 0.000 3.362 114 S HA -0.208 4.262 4.470 -0.001 0.000 0.144 114 S C 0.236 174.835 174.600 -0.000 0.000 0.320 114 S CA 0.721 58.920 58.200 -0.002 0.000 1.394 114 S CB -0.952 62.221 63.200 -0.046 0.000 0.689 114 S HN 0.522 nan 8.310 nan 0.000 0.224 115 D N 0.779 121.187 120.400 0.013 0.000 2.383 115 D HA 0.198 4.837 4.640 -0.001 0.000 0.252 115 D C 1.506 177.809 176.300 0.004 0.000 1.166 115 D CA -0.343 53.661 54.000 0.008 0.000 0.879 115 D CB 0.385 41.193 40.800 0.012 0.000 1.164 115 D HN 0.421 nan 8.370 nan 0.000 0.462 116 I N 0.812 121.381 120.570 -0.002 0.000 2.194 116 I HA -0.274 3.895 4.170 -0.001 0.000 0.246 116 I C 1.406 177.523 176.117 -0.001 0.000 1.093 116 I CA 1.210 62.508 61.300 -0.005 0.000 1.355 116 I CB -0.820 37.176 38.000 -0.008 0.000 1.046 116 I HN 0.300 nan 8.210 nan 0.000 0.413 117 T N 0.457 115.013 114.554 0.003 0.000 2.857 117 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 117 T C 1.609 176.315 174.700 0.010 0.000 1.048 117 T CA 1.429 63.532 62.100 0.005 0.000 1.139 117 T CB -0.368 68.503 68.868 0.005 0.000 0.874 117 T HN 0.434 nan 8.240 nan 0.000 0.455 118 D N 0.893 121.301 120.400 0.013 0.000 2.221 118 D HA -0.026 4.613 4.640 -0.001 0.000 0.204 118 D C 1.961 178.276 176.300 0.025 0.000 0.982 118 D CA 0.845 54.857 54.000 0.019 0.000 0.857 118 D CB -0.015 40.800 40.800 0.024 0.000 0.934 118 D HN 0.388 nan 8.370 nan 0.000 0.475 119 I N 0.321 120.903 120.570 0.021 0.000 2.277 119 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 119 I C 2.457 178.583 176.117 0.015 0.000 1.094 119 I CA 0.393 61.705 61.300 0.020 0.000 1.393 119 I CB -0.090 37.915 38.000 0.008 0.000 1.078 119 I HN -0.162 nan 8.210 nan 0.000 0.417 120 V N 1.193 121.112 119.914 0.008 0.000 2.392 120 V HA -0.283 3.836 4.120 -0.001 0.000 0.249 120 V C 2.681 178.785 176.094 0.016 0.000 1.059 120 V CA 2.232 64.535 62.300 0.005 0.000 1.051 120 V CB -0.929 30.894 31.823 -0.000 0.000 0.658 120 V HN 0.605 nan 8.190 nan 0.000 0.455 121 S N -0.498 115.214 115.700 0.019 0.000 2.338 121 S HA -0.244 4.226 4.470 -0.001 0.000 0.218 121 S C 2.203 176.822 174.600 0.031 0.000 1.032 121 S CA 1.843 60.058 58.200 0.024 0.000 0.999 121 S CB -0.800 62.411 63.200 0.020 0.000 0.905 121 S HN 0.465 nan 8.310 nan 0.000 0.439 122 S N 1.490 117.208 115.700 0.030 0.000 2.359 122 S HA 0.007 4.476 4.470 -0.001 0.000 0.224 122 S C 1.910 176.536 174.600 0.043 0.000 1.035 122 S CA 1.479 59.699 58.200 0.035 0.000 1.018 122 S CB -0.803 62.419 63.200 0.037 0.000 0.876 122 S HN 0.571 nan 8.310 nan 0.000 0.448 123 L N 0.815 122.061 121.223 0.039 0.000 2.083 123 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 123 L C 2.835 179.752 176.870 0.078 0.000 1.083 123 L CA 1.512 56.378 54.840 0.044 0.000 0.752 123 L CB -0.575 41.493 42.059 0.015 0.000 0.899 123 L HN 0.375 nan 8.230 nan 0.000 0.433 124 Q N 0.752 120.596 119.800 0.074 0.000 2.049 124 Q HA -0.121 4.219 4.340 -0.001 0.000 0.198 124 Q C 2.169 178.245 176.000 0.126 0.000 0.971 124 Q CA 1.529 57.403 55.803 0.118 0.000 0.833 124 Q CB -0.339 28.447 28.738 0.080 0.000 0.896 124 Q HN 0.436 nan 8.270 nan 0.000 0.434 125 L N 0.239 121.507 121.223 0.075 0.000 2.261 125 L HA -0.231 4.108 4.340 -0.001 0.000 0.216 125 L C 2.346 179.247 176.870 0.052 0.000 1.114 125 L CA 1.337 56.208 54.840 0.051 0.000 0.777 125 L CB -0.393 41.686 42.059 0.033 0.000 0.910 125 L HN 0.361 nan 8.230 nan 0.000 0.440 126 Q N -1.145 118.703 119.800 0.079 0.000 2.163 126 Q HA -0.118 4.222 4.340 -0.001 0.000 0.198 126 Q C 2.061 178.130 176.000 0.115 0.000 0.954 126 Q CA 0.850 56.700 55.803 0.079 0.000 0.851 126 Q CB -0.080 28.707 28.738 0.082 0.000 0.928 126 Q HN 0.351 nan 8.270 nan 0.000 0.459 127 F N 2.075 122.025 119.950 -0.000 0.000 2.333 127 F HA -0.140 4.386 4.527 -0.001 0.000 0.300 127 F C 1.392 177.192 175.800 -0.001 0.000 1.083 127 F CA 1.350 59.350 58.000 -0.001 0.000 1.395 127 F CB 0.188 39.188 39.000 -0.001 0.000 1.056 127 F HN 0.038 nan 8.300 nan 0.000 0.529 128 E N -0.468 119.642 120.200 -0.151 0.000 2.099 128 E HA 0.019 4.368 4.350 -0.001 0.000 0.191 128 E C 1.436 177.941 176.600 -0.157 0.000 0.962 128 E CA 0.586 56.848 56.400 -0.231 0.000 0.826 128 E CB -0.166 29.472 29.700 -0.103 0.000 0.788 128 E HN 0.347 nan 8.360 nan 0.000 0.461 136 G N 0.706 109.539 108.800 0.055 0.000 2.395 136 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.214 136 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.214 136 G C 1.099 176.044 174.900 0.076 0.000 1.177 136 G CA 1.204 46.347 45.100 0.071 0.000 0.794 136 G HN 0.619 nan 8.290 nan 0.000 0.532 137 N N 0.751 119.485 118.700 0.057 0.000 2.106 137 N HA -0.097 4.643 4.740 -0.001 0.000 0.188 137 N C 2.311 177.846 175.510 0.043 0.000 1.029 137 N CA 1.879 54.958 53.050 0.048 0.000 0.848 137 N CB -0.174 38.341 38.487 0.046 0.000 1.007 137 N HN 0.193 nan 8.380 nan 0.000 0.423 138 S N -1.041 114.691 115.700 0.053 0.000 2.355 138 S HA -0.145 4.325 4.470 -0.001 0.000 0.222 138 S C 1.730 176.364 174.600 0.056 0.000 1.031 138 S CA 1.135 59.364 58.200 0.048 0.000 0.993 138 S CB -0.685 62.547 63.200 0.053 0.000 0.859 138 S HN 0.548 nan 8.310 nan 0.000 0.453 139 H N 1.356 120.421 119.070 -0.009 0.000 2.421 139 H HA 0.041 4.596 4.556 -0.001 0.000 0.298 139 H C 2.336 177.646 175.328 -0.030 0.000 1.087 139 H CA 1.537 57.575 56.048 -0.017 0.000 1.330 139 H CB -0.401 29.353 29.762 -0.014 0.000 1.388 139 H HN 0.304 nan 8.280 nan 0.000 0.526 140 S N -0.440 115.227 115.700 -0.054 0.000 2.368 140 S HA -0.122 4.348 4.470 -0.001 0.000 0.224 140 S C 1.977 176.489 174.600 -0.146 0.000 1.029 140 S CA 1.363 59.494 58.200 -0.116 0.000 0.988 140 S CB -0.051 63.123 63.200 -0.043 0.000 0.838 140 S HN 0.487 nan 8.310 nan 0.000 0.462 141 K N 0.690 121.037 120.400 -0.088 0.000 2.025 141 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 141 K C 2.266 178.804 176.600 -0.103 0.000 1.049 141 K CA 1.390 57.632 56.287 -0.076 0.000 0.933 141 K CB -0.281 32.201 32.500 -0.029 0.000 0.714 141 K HN 0.146 nan 8.250 nan 0.000 0.438 142 K N 1.202 121.536 120.400 -0.109 0.000 2.032 142 K HA -0.195 4.125 4.320 -0.001 0.000 0.218 142 K C 2.025 178.533 176.600 -0.153 0.000 1.054 142 K CA 1.907 58.125 56.287 -0.116 0.000 0.941 142 K CB -0.225 32.201 32.500 -0.123 0.000 0.720 142 K HN -0.016 nan 8.250 nan 0.000 0.449 143 M N 0.129 119.585 119.600 -0.239 0.000 2.108 143 M HA -0.132 4.347 4.480 -0.001 0.000 0.261 143 M C 2.307 178.493 176.300 -0.191 0.000 1.066 143 M CA 1.527 56.691 55.300 -0.226 0.000 1.107 143 M CB -1.061 31.364 32.600 -0.291 0.000 1.356 143 M HN 0.190 nan 8.290 nan 0.000 0.406 144 L N -0.430 120.674 121.223 -0.199 0.000 2.046 144 L HA -0.240 4.100 4.340 -0.001 0.000 0.208 144 L C 2.493 179.288 176.870 -0.126 0.000 1.077 144 L CA 1.179 55.905 54.840 -0.191 0.000 0.747 144 L CB -0.551 41.396 42.059 -0.188 0.000 0.896 144 L HN 0.174 nan 8.230 nan 0.000 0.432 145 K N 0.073 120.416 120.400 -0.094 0.000 2.032 145 K HA -0.138 4.181 4.320 -0.001 0.000 0.209 145 K C 2.127 178.692 176.600 -0.058 0.000 1.048 145 K CA 1.581 57.832 56.287 -0.061 0.000 0.927 145 K CB -0.704 31.767 32.500 -0.047 0.000 0.712 145 K HN 0.294 nan 8.250 nan 0.000 0.441 146 A N 0.848 123.628 122.820 -0.066 0.000 1.858 146 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 146 A C 2.092 179.648 177.584 -0.048 0.000 1.190 146 A CA 1.693 53.701 52.037 -0.047 0.000 0.617 146 A CB -0.888 18.084 19.000 -0.047 0.000 0.827 146 A HN 0.313 nan 8.150 nan 0.000 0.443 147 L N -0.735 120.437 121.223 -0.086 0.000 2.270 147 L HA -0.166 4.173 4.340 -0.001 0.000 0.217 147 L C 1.819 178.614 176.870 -0.125 0.000 1.107 147 L CA 1.852 56.615 54.840 -0.129 0.000 0.772 147 L CB -0.247 41.658 42.059 -0.258 0.000 0.902 147 L HN 0.424 nan 8.230 nan 0.000 0.439 148 L N -1.902 119.270 121.223 -0.083 0.000 2.467 148 L HA 0.069 4.409 4.340 -0.001 0.000 0.213 148 L C 2.537 179.399 176.870 -0.014 0.000 1.053 148 L CA 0.742 55.553 54.840 -0.049 0.000 0.847 148 L CB -0.550 41.488 42.059 -0.035 0.000 1.075 148 L HN 0.378 nan 8.230 nan 0.000 0.479 149 S N -0.081 115.610 115.700 -0.014 0.000 2.356 149 S HA -0.138 4.332 4.470 -0.001 0.000 0.223 149 S C 0.939 175.546 174.600 0.011 0.000 1.032 149 S CA 0.434 58.634 58.200 -0.000 0.000 1.005 149 S CB -0.422 62.775 63.200 -0.006 0.000 0.867 149 S HN 0.368 nan 8.310 nan 0.000 0.449 150 E N 0.755 120.962 120.200 0.012 0.000 2.570 150 E HA 0.208 4.557 4.350 -0.001 0.000 0.263 150 E C 1.830 178.451 176.600 0.035 0.000 1.390 150 E CA 0.159 56.574 56.400 0.025 0.000 1.115 150 E CB -0.307 29.413 29.700 0.033 0.000 0.970 150 E HN 0.409 nan 8.360 nan 0.000 0.545 151 G N 0.364 109.189 108.800 0.042 0.000 2.672 151 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 151 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 151 G C 0.094 175.029 174.900 0.059 0.000 1.238 151 G CA 0.749 45.878 45.100 0.048 0.000 0.791 151 G HN 0.526 nan 8.290 nan 0.000 0.606 152 E N 0.777 121.018 120.200 0.070 0.000 2.604 152 E HA 0.236 4.585 4.350 -0.001 0.000 0.267 152 E C 0.598 177.239 176.600 0.070 0.000 0.970 152 E CA 0.246 56.694 56.400 0.079 0.000 0.956 152 E CB 0.465 30.226 29.700 0.102 0.000 0.939 152 E HN 0.452 nan 8.360 nan 0.000 0.465 153 S N 2.823 118.578 115.700 0.091 0.000 2.713 153 S HA 0.237 4.707 4.470 -0.001 0.000 0.283 153 S C 1.286 175.920 174.600 0.057 0.000 1.161 153 S CA -0.944 57.321 58.200 0.109 0.000 0.999 153 S CB 0.855 64.160 63.200 0.175 0.000 1.039 153 S HN 0.425 nan 8.310 nan 0.000 0.548 154 I N -0.336 120.251 120.570 0.027 0.000 2.151 154 I HA -0.151 4.018 4.170 -0.001 0.000 0.243 154 I C 2.000 177.938 176.117 -0.299 0.000 1.080 154 I CA 1.506 62.696 61.300 -0.183 0.000 1.339 154 I CB -1.391 36.458 38.000 -0.251 0.000 1.039 154 I HN 0.785 nan 8.210 nan 0.000 0.409 155 W N 1.370 122.636 121.300 -0.057 0.000 2.465 155 W HA -0.125 4.535 4.660 -0.001 0.000 0.268 155 W C 2.504 179.014 176.519 -0.014 0.000 1.242 155 W CA 0.520 57.834 57.345 -0.052 0.000 1.248 155 W CB -0.151 29.304 29.460 -0.009 0.000 1.118 155 W HN 0.228 nan 8.180 nan 0.000 0.587 156 E N -0.035 120.280 120.200 0.191 0.000 2.122 156 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 156 E C 1.968 178.637 176.600 0.115 0.000 0.977 156 E CA 0.908 57.400 56.400 0.154 0.000 0.820 156 E CB -0.303 29.478 29.700 0.134 0.000 0.770 156 E HN 0.290 nan 8.360 nan 0.000 0.462 157 I N 1.152 121.749 120.570 0.044 0.000 2.286 157 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 157 I C 2.324 178.440 176.117 -0.001 0.000 1.115 157 I CA 1.049 62.350 61.300 0.002 0.000 1.392 157 I CB -0.207 37.685 38.000 -0.180 0.000 1.065 157 I HN 0.085 nan 8.210 nan 0.000 0.418 158 T N -0.242 114.273 114.554 -0.064 0.000 2.777 158 T HA -0.225 4.125 4.350 -0.001 0.000 0.266 158 T C 1.830 176.614 174.700 0.140 0.000 1.040 158 T CA 1.442 63.551 62.100 0.014 0.000 1.141 158 T CB -0.176 68.539 68.868 -0.256 0.000 0.868 158 T HN 0.406 nan 8.240 nan 0.000 0.444 159 E N 0.773 121.064 120.200 0.151 0.000 2.110 159 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 159 E C 2.100 178.765 176.600 0.107 0.000 0.988 159 E CA 1.020 57.519 56.400 0.164 0.000 0.804 159 E CB 0.074 29.879 29.700 0.175 0.000 0.745 159 E HN 0.404 nan 8.360 nan 0.000 0.458 160 K N 0.111 120.569 120.400 0.097 0.000 2.057 160 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 160 K C 2.195 178.774 176.600 -0.034 0.000 1.050 160 K CA 1.152 57.476 56.287 0.062 0.000 0.935 160 K CB -0.040 32.534 32.500 0.124 0.000 0.715 160 K HN 0.200 nan 8.250 nan 0.000 0.439 161 I N 0.861 121.384 120.570 -0.078 0.000 2.202 161 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 161 I C 2.239 178.091 176.117 -0.442 0.000 1.091 161 I CA 0.673 61.754 61.300 -0.365 0.000 1.368 161 I CB -0.153 37.482 38.000 -0.608 0.000 1.058 161 I HN 0.102 nan 8.210 nan 0.000 0.410 162 L N 0.932 122.022 121.223 -0.222 0.000 2.187 162 L HA -0.201 4.138 4.340 -0.001 0.000 0.213 162 L C 1.686 178.627 176.870 0.118 0.000 1.100 162 L CA 1.988 56.858 54.840 0.049 0.000 0.765 162 L CB -0.971 41.192 42.059 0.173 0.000 0.904 162 L HN 0.246 nan 8.230 nan 0.000 0.437 163 N N -1.697 117.024 118.700 0.036 0.000 2.424 163 N HA -0.066 4.673 4.740 -0.001 0.000 0.178 163 N C 1.516 177.037 175.510 0.018 0.000 1.060 163 N CA 0.663 53.762 53.050 0.082 0.000 0.901 163 N CB 0.089 38.642 38.487 0.110 0.000 0.979 163 N HN 0.399 nan 8.380 nan 0.000 0.451 164 S N -0.368 115.213 115.700 -0.197 0.000 2.595 164 S HA 0.003 4.473 4.470 -0.001 0.000 0.235 164 S C 1.036 175.436 174.600 -0.335 0.000 0.974 164 S CA 0.519 58.528 58.200 -0.319 0.000 0.942 164 S CB -0.523 62.344 63.200 -0.554 0.000 0.766 164 S HN 0.289 nan 8.310 nan 0.000 0.536 165 F N 0.627 120.596 119.950 0.033 0.000 2.694 165 F HA 0.333 4.860 4.527 -0.001 0.000 0.292 165 F C 2.342 178.196 175.800 0.090 0.000 1.121 165 F CA -0.084 57.969 58.000 0.088 0.000 1.352 165 F CB 0.027 39.120 39.000 0.155 0.000 1.107 165 F HN 0.213 nan 8.300 nan 0.000 0.597 166 E N 0.666 120.972 120.200 0.178 0.000 2.114 166 E HA -0.240 4.109 4.350 -0.001 0.000 0.199 166 E C 0.863 177.286 176.600 -0.295 0.000 1.008 166 E CA 2.107 58.433 56.400 -0.123 0.000 0.810 166 E CB -0.242 29.227 29.700 -0.384 0.000 0.739 166 E HN 0.551 nan 8.360 nan 0.000 0.456 167 Y N -1.933 118.430 120.300 0.105 0.000 2.500 167 Y HA 0.256 4.805 4.550 -0.001 0.000 0.246 167 Y C 1.661 177.602 175.900 0.068 0.000 1.146 167 Y CA 0.474 58.619 58.100 0.074 0.000 1.230 167 Y CB 0.322 38.806 38.460 0.041 0.000 1.214 167 Y HN 0.133 nan 8.280 nan 0.000 0.526 168 T N -3.933 110.759 114.554 0.230 0.000 3.022 168 T HA 0.178 4.527 4.350 -0.001 0.000 0.250 168 T C 0.638 175.448 174.700 0.183 0.000 1.060 168 T CA -0.112 62.088 62.100 0.167 0.000 1.013 168 T CB -0.158 68.781 68.868 0.118 0.000 0.982 168 T HN -0.022 nan 8.240 nan 0.000 0.508 169 S N 1.875 117.714 115.700 0.232 0.000 2.531 169 S HA 0.342 4.812 4.470 -0.001 0.000 0.279 169 S C 1.142 175.825 174.600 0.139 0.000 1.305 169 S CA -0.745 57.613 58.200 0.263 0.000 1.058 169 S CB 1.859 65.236 63.200 0.295 0.000 0.899 169 S HN 0.458 nan 8.310 nan 0.000 0.493 170 R N 1.718 122.278 120.500 0.100 0.000 2.062 170 R HA -0.000 4.339 4.340 -0.001 0.000 0.231 170 R C -0.395 175.719 176.300 -0.311 0.000 1.136 170 R CA 1.285 57.280 56.100 -0.175 0.000 0.948 170 R CB -0.005 30.081 30.300 -0.357 0.000 0.845 170 R HN 0.568 nan 8.270 nan 0.000 0.430 171 F N -1.491 118.491 119.950 0.053 0.000 2.509 171 F HA 0.332 4.858 4.527 -0.001 0.000 0.334 171 F C 1.535 177.347 175.800 0.020 0.000 1.060 171 F CA -0.904 57.114 58.000 0.030 0.000 0.997 171 F CB 1.099 40.107 39.000 0.014 0.000 1.271 171 F HN -0.233 nan 8.300 nan 0.000 0.488 172 T N -0.803 113.883 114.554 0.221 0.000 2.942 172 T HA -0.100 4.250 4.350 -0.001 0.000 0.265 172 T C 1.968 176.725 174.700 0.094 0.000 1.062 172 T CA 0.994 63.169 62.100 0.124 0.000 1.139 172 T CB -0.118 68.803 68.868 0.088 0.000 0.883 172 T HN 0.483 nan 8.240 nan 0.000 0.468 173 K N 0.985 121.441 120.400 0.092 0.000 2.032 173 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 173 K C 2.499 179.067 176.600 -0.053 0.000 1.048 173 K CA 1.900 58.193 56.287 0.009 0.000 0.927 173 K CB -0.267 32.202 32.500 -0.053 0.000 0.712 173 K HN 0.501 nan 8.250 nan 0.000 0.441 174 T N -0.592 113.914 114.554 -0.079 0.000 2.857 174 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 174 T C 1.896 176.318 174.700 -0.463 0.000 1.048 174 T CA 1.036 62.904 62.100 -0.387 0.000 1.139 174 T CB -0.172 68.538 68.868 -0.263 0.000 0.874 174 T HN 0.195 nan 8.240 nan 0.000 0.455 175 K N 1.135 121.493 120.400 -0.070 0.000 2.044 175 K HA -0.180 4.139 4.320 -0.001 0.000 0.210 175 K C 2.327 178.960 176.600 0.055 0.000 1.049 175 K CA 1.959 58.289 56.287 0.071 0.000 0.927 175 K CB -0.842 31.734 32.500 0.126 0.000 0.713 175 K HN 0.381 nan 8.250 nan 0.000 0.443 176 T N 2.236 116.824 114.554 0.056 0.000 2.652 176 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 176 T C 1.951 176.749 174.700 0.163 0.000 1.039 176 T CA 1.609 63.791 62.100 0.136 0.000 1.153 176 T CB -0.166 68.774 68.868 0.119 0.000 0.863 176 T HN 0.177 nan 8.240 nan 0.000 0.428 177 L N -0.457 120.794 121.223 0.046 0.000 1.994 177 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 177 L C 2.551 179.447 176.870 0.043 0.000 1.071 177 L CA 1.445 56.332 54.840 0.077 0.000 0.745 177 L CB -0.751 41.294 42.059 -0.023 0.000 0.892 177 L HN 0.248 nan 8.230 nan 0.000 0.431 178 Y N 0.468 120.720 120.300 -0.080 0.000 2.151 178 Y HA -0.297 4.253 4.550 -0.001 0.000 0.284 178 Y C 2.769 178.517 175.900 -0.254 0.000 1.166 178 Y CA 1.038 58.944 58.100 -0.323 0.000 1.163 178 Y CB -1.013 36.894 38.460 -0.921 0.000 0.974 178 Y HN 0.271 nan 8.280 nan 0.000 0.511 179 Q N -1.397 118.448 119.800 0.075 0.000 2.046 179 Q HA -0.176 4.164 4.340 -0.001 0.000 0.200 179 Q C 2.224 178.308 176.000 0.140 0.000 0.975 179 Q CA 1.606 57.517 55.803 0.179 0.000 0.836 179 Q CB -0.551 28.351 28.738 0.274 0.000 0.896 179 Q HN 0.470 nan 8.270 nan 0.000 0.428 180 F N 1.507 121.482 119.950 0.041 0.000 2.069 180 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 180 F C 1.968 177.732 175.800 -0.059 0.000 1.113 180 F CA 1.197 59.191 58.000 -0.011 0.000 1.214 180 F CB -0.532 38.403 39.000 -0.109 0.000 0.978 180 F HN 0.070 nan 8.300 nan 0.000 0.474 181 L N -0.033 121.013 121.223 -0.295 0.000 2.043 181 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 181 L C 2.230 178.949 176.870 -0.252 0.000 1.075 181 L CA 2.063 56.659 54.840 -0.406 0.000 0.752 181 L CB -1.471 40.372 42.059 -0.360 0.000 0.891 181 L HN 0.321 nan 8.230 nan 0.000 0.432 182 F N -0.479 119.362 119.950 -0.181 0.000 2.051 182 F HA -0.214 4.313 4.527 -0.001 0.000 0.296 182 F C 2.202 177.988 175.800 -0.023 0.000 1.122 182 F CA 1.897 59.908 58.000 0.018 0.000 1.201 182 F CB -0.784 38.343 39.000 0.211 0.000 0.978 182 F HN 0.133 nan 8.300 nan 0.000 0.472 183 L N 0.870 121.938 121.223 -0.259 0.000 2.081 183 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 183 L C 2.403 179.103 176.870 -0.284 0.000 1.080 183 L CA 2.103 56.756 54.840 -0.312 0.000 0.754 183 L CB -1.323 40.639 42.059 -0.162 0.000 0.893 183 L HN 0.273 nan 8.230 nan 0.000 0.433 184 A N -1.818 120.789 122.820 -0.355 0.000 1.968 184 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 184 A C 2.289 179.688 177.584 -0.308 0.000 1.169 184 A CA 1.704 53.520 52.037 -0.368 0.000 0.638 184 A CB -0.990 17.669 19.000 -0.567 0.000 0.812 184 A HN 0.582 nan 8.150 nan 0.000 0.446 185 T N -3.475 110.917 114.554 -0.270 0.000 2.942 185 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 185 T C 1.671 176.264 174.700 -0.179 0.000 1.062 185 T CA 1.235 63.225 62.100 -0.183 0.000 1.139 185 T CB -0.403 68.422 68.868 -0.072 0.000 0.883 185 T HN 0.306 nan 8.240 nan 0.000 0.468 186 F N 2.235 121.930 119.950 -0.424 0.000 2.149 186 F HA 0.193 4.719 4.527 -0.001 0.000 0.294 186 F C 1.820 177.449 175.800 -0.285 0.000 1.095 186 F CA 0.198 57.946 58.000 -0.419 0.000 1.276 186 F CB -0.436 38.153 39.000 -0.684 0.000 1.023 186 F HN -0.025 nan 8.300 nan 0.000 0.480 187 I N 1.039 121.344 120.570 -0.442 0.000 2.454 187 I HA -0.266 3.903 4.170 -0.001 0.000 0.254 187 I C 1.065 177.064 176.117 -0.196 0.000 1.156 187 I CA 1.334 62.417 61.300 -0.361 0.000 1.433 187 I CB -1.703 36.195 38.000 -0.171 0.000 1.082 187 I HN 0.264 nan 8.210 nan 0.000 0.432 188 N N -1.342 117.230 118.700 -0.214 0.000 2.184 188 N HA 0.059 4.799 4.740 -0.001 0.000 0.206 188 N C 0.761 176.143 175.510 -0.214 0.000 1.151 188 N CA 0.191 53.145 53.050 -0.160 0.000 0.878 188 N CB 0.208 38.606 38.487 -0.149 0.000 1.014 188 N HN 0.245 nan 8.380 nan 0.000 0.512 189 C N 0.834 119.991 119.300 -0.239 0.000 4.365 189 C HA -0.119 4.340 4.460 -0.001 0.000 0.299 189 C C 0.854 175.695 174.990 -0.249 0.000 1.409 189 C CA 0.101 58.990 59.018 -0.215 0.000 2.007 189 C CB -2.170 25.457 27.740 -0.188 0.000 1.264 189 C HN 0.531 nan 8.230 nan 0.000 0.777 190 G N 0.492 109.161 108.800 -0.218 0.000 2.471 190 G HA2 0.706 4.665 3.960 -0.001 0.000 0.332 190 G HA3 0.706 4.665 3.960 -0.001 0.000 0.332 190 G C -0.245 174.568 174.900 -0.145 0.000 1.176 190 G CA -0.795 44.177 45.100 -0.213 0.000 0.949 190 G HN 0.735 nan 8.290 nan 0.000 0.488 191 R N -0.730 119.712 120.500 -0.096 0.000 2.574 191 R HA 0.266 4.606 4.340 -0.001 0.000 0.266 191 R C 1.057 177.421 176.300 0.106 0.000 1.157 191 R CA -0.609 55.542 56.100 0.085 0.000 1.187 191 R CB 0.445 30.836 30.300 0.151 0.000 1.179 191 R HN 0.480 nan 8.270 nan 0.000 0.600 192 F N 1.373 121.364 119.950 0.068 0.000 2.075 192 F HA -0.215 4.312 4.527 -0.001 0.000 0.297 192 F C 2.207 178.005 175.800 -0.004 0.000 1.113 192 F CA 2.114 60.126 58.000 0.020 0.000 1.218 192 F CB -0.520 38.511 39.000 0.051 0.000 0.984 192 F HN 0.543 nan 8.300 nan 0.000 0.472 193 S N -0.223 115.395 115.700 -0.136 0.000 2.400 193 S HA -0.231 4.239 4.470 -0.001 0.000 0.232 193 S C 1.679 176.145 174.600 -0.223 0.000 1.025 193 S CA 1.402 59.451 58.200 -0.251 0.000 0.993 193 S CB -0.871 62.297 63.200 -0.055 0.000 0.808 193 S HN 0.480 nan 8.310 nan 0.000 0.478 194 D N 1.364 121.670 120.400 -0.157 0.000 2.218 194 D HA 0.001 4.641 4.640 -0.001 0.000 0.204 194 D C 1.782 177.981 176.300 -0.167 0.000 0.976 194 D CA 0.850 54.759 54.000 -0.152 0.000 0.853 194 D CB -0.087 40.624 40.800 -0.148 0.000 0.939 194 D HN 0.398 nan 8.370 nan 0.000 0.481 195 I N 0.477 120.921 120.570 -0.209 0.000 2.628 195 I HA -0.073 4.097 4.170 -0.001 0.000 0.255 195 I C 2.298 178.305 176.117 -0.183 0.000 1.119 195 I CA 0.366 61.559 61.300 -0.178 0.000 1.448 195 I CB -0.731 37.147 38.000 -0.202 0.000 1.133 195 I HN -0.056 nan 8.210 nan 0.000 0.438 196 K N 1.879 122.048 120.400 -0.385 0.000 2.009 196 K HA -0.196 4.123 4.320 -0.001 0.000 0.210 196 K C 1.386 177.899 176.600 -0.145 0.000 1.049 196 K CA 1.918 57.990 56.287 -0.359 0.000 0.929 196 K CB -0.257 31.796 32.500 -0.746 0.000 0.714 196 K HN 0.334 nan 8.250 nan 0.000 0.440 197 N N 0.505 119.115 118.700 -0.151 0.000 2.626 197 N HA -0.033 4.707 4.740 -0.001 0.000 0.193 197 N C -0.394 175.109 175.510 -0.012 0.000 1.213 197 N CA -0.509 52.503 53.050 -0.062 0.000 0.914 197 N CB 0.279 38.721 38.487 -0.076 0.000 0.994 197 N HN -0.045 nan 8.380 nan 0.000 0.447 198 V N 1.433 121.352 119.914 0.008 0.000 2.673 198 V HA -0.090 4.029 4.120 -0.001 0.000 0.303 198 V C 0.291 176.461 176.094 0.128 0.000 1.046 198 V CA 0.154 62.484 62.300 0.051 0.000 1.126 198 V CB 1.011 32.886 31.823 0.086 0.000 0.934 198 V HN 0.191 nan 8.190 nan 0.000 0.487 199 D N 6.874 127.346 120.400 0.121 0.000 2.313 199 D HA 0.272 4.911 4.640 -0.001 0.000 0.239 199 D C -1.698 174.766 176.300 0.273 0.000 1.142 199 D CA -2.222 51.884 54.000 0.177 0.000 0.847 199 D CB 1.958 42.832 40.800 0.124 0.000 1.082 199 D HN 0.190 nan 8.370 nan 0.000 0.480 200 P HA -0.097 nan 4.420 nan 0.000 0.218 200 P C 0.655 178.182 177.300 0.379 0.000 1.148 200 P CA 1.208 64.565 63.100 0.429 0.000 0.822 200 P CB 0.236 32.160 31.700 0.373 0.000 0.784 201 K N -0.403 120.162 120.400 0.276 0.000 2.525 201 K HA 0.037 4.356 4.320 -0.001 0.000 0.192 201 K C 1.516 178.242 176.600 0.210 0.000 1.029 201 K CA 0.998 57.413 56.287 0.213 0.000 1.029 201 K CB -0.242 32.363 32.500 0.174 0.000 0.814 201 K HN 0.223 nan 8.250 nan 0.000 0.503 202 S N -0.111 115.730 115.700 0.234 0.000 2.556 202 S HA 0.125 4.595 4.470 -0.001 0.000 0.216 202 S C 0.309 174.980 174.600 0.117 0.000 0.970 202 S CA -0.575 57.708 58.200 0.139 0.000 0.912 202 S CB -0.265 62.976 63.200 0.070 0.000 0.790 202 S HN -0.017 nan 8.310 nan 0.000 0.504 203 F N 3.226 123.195 119.950 0.032 0.000 2.608 203 F HA 0.365 4.892 4.527 -0.001 0.000 0.380 203 F C 0.993 176.792 175.800 -0.002 0.000 1.083 203 F CA 0.410 58.419 58.000 0.015 0.000 1.266 203 F CB 0.408 39.413 39.000 0.008 0.000 1.076 203 F HN 0.066 nan 8.300 nan 0.000 0.574 204 K N 3.369 123.814 120.400 0.074 0.000 2.533 204 K HA 0.571 4.891 4.320 -0.001 0.000 0.272 204 K C -1.504 175.075 176.600 -0.034 0.000 0.985 204 K CA -1.013 55.285 56.287 0.017 0.000 0.876 204 K CB 2.377 34.850 32.500 -0.044 0.000 1.452 204 K HN 0.361 nan 8.250 nan 0.000 0.439 205 L N 2.295 123.478 121.223 -0.068 0.000 2.272 205 L HA 0.479 4.819 4.340 -0.001 0.000 0.289 205 L C -0.786 175.974 176.870 -0.183 0.000 1.032 205 L CA -0.997 53.742 54.840 -0.167 0.000 0.810 205 L CB 1.399 43.337 42.059 -0.203 0.000 1.205 205 L HN 0.250 nan 8.230 nan 0.000 0.422 206 V N 3.122 122.900 119.914 -0.226 0.000 2.680 206 V HA 0.328 4.448 4.120 -0.001 0.000 0.309 206 V C -0.266 175.657 176.094 -0.285 0.000 1.052 206 V CA -0.776 61.396 62.300 -0.214 0.000 0.908 206 V CB 2.081 33.789 31.823 -0.192 0.000 1.001 206 V HN 0.808 nan 8.190 nan 0.000 0.431 207 Q N 2.937 122.588 119.800 -0.249 0.000 2.241 207 Q HA 0.497 4.836 4.340 -0.001 0.000 0.254 207 Q C -0.665 175.190 176.000 -0.242 0.000 0.917 207 Q CA -0.579 55.051 55.803 -0.289 0.000 0.919 207 Q CB 1.652 30.262 28.738 -0.213 0.000 1.237 207 Q HN 0.695 nan 8.270 nan 0.000 0.434 208 N N 2.020 120.562 118.700 -0.264 0.000 2.342 208 N HA 0.071 4.811 4.740 -0.001 0.000 0.293 208 N C 0.071 175.489 175.510 -0.153 0.000 1.026 208 N CA -0.541 52.389 53.050 -0.199 0.000 0.857 208 N CB 1.669 40.003 38.487 -0.255 0.000 1.256 208 N HN 0.871 nan 8.380 nan 0.000 0.484 209 K N 2.416 122.709 120.400 -0.178 0.000 2.585 209 K HA -0.092 4.227 4.320 -0.001 0.000 0.194 209 K C 0.049 176.436 176.600 -0.356 0.000 1.037 209 K CA 1.179 57.299 56.287 -0.279 0.000 0.964 209 K CB -0.111 32.157 32.500 -0.387 0.000 0.787 209 K HN 0.541 nan 8.250 nan 0.000 0.488 210 Y N 0.032 120.276 120.300 -0.093 0.000 2.558 210 Y HA 0.248 4.798 4.550 -0.001 0.000 0.273 210 Y C 1.537 177.470 175.900 0.055 0.000 1.100 210 Y CA -0.185 57.867 58.100 -0.079 0.000 1.276 210 Y CB 0.650 38.884 38.460 -0.377 0.000 1.196 210 Y HN -0.102 nan 8.280 nan 0.000 0.527 211 L N -1.676 119.613 121.223 0.110 0.000 2.858 211 L HA 0.458 4.797 4.340 -0.001 0.000 0.251 211 L C 1.622 178.448 176.870 -0.073 0.000 1.149 211 L CA 0.602 55.468 54.840 0.044 0.000 0.955 211 L CB 0.529 42.614 42.059 0.044 0.000 1.289 211 L HN 0.379 nan 8.230 nan 0.000 0.542 212 G N 1.253 109.961 108.800 -0.153 0.000 4.526 212 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.217 212 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.217 212 G C 0.265 174.673 174.900 -0.820 0.000 1.428 212 G CA 0.198 45.046 45.100 -0.421 0.000 0.928 212 G HN 0.278 nan 8.290 nan 0.000 0.639 213 V N -1.575 117.829 119.914 -0.850 0.000 3.078 213 V HA 0.924 5.043 4.120 -0.001 0.000 0.311 213 V C -0.531 175.288 176.094 -0.458 0.000 1.138 213 V CA -1.335 60.474 62.300 -0.820 0.000 1.007 213 V CB 2.220 33.248 31.823 -1.325 0.000 1.045 213 V HN 0.795 nan 8.190 nan 0.000 0.432 214 I N 2.535 122.878 120.570 -0.377 0.000 2.722 214 I HA 0.515 4.685 4.170 -0.001 0.000 0.295 214 I C -0.469 175.585 176.117 -0.105 0.000 1.161 214 I CA -0.828 60.358 61.300 -0.190 0.000 1.032 214 I CB 2.267 40.066 38.000 -0.335 0.000 1.244 214 I HN 0.677 nan 8.210 nan 0.000 0.421 215 I N 4.398 125.019 120.570 0.084 0.000 2.365 215 I HA 0.298 4.467 4.170 -0.001 0.000 0.291 215 I C 0.117 176.263 176.117 0.048 0.000 1.004 215 I CA -0.301 61.068 61.300 0.115 0.000 1.311 215 I CB 1.172 39.357 38.000 0.309 0.000 1.401 215 I HN 0.506 nan 8.210 nan 0.000 0.491 216 Q N 6.501 126.212 119.800 -0.149 0.000 2.356 216 Q HA 0.614 4.953 4.340 -0.001 0.000 0.270 216 Q C -1.375 174.345 176.000 -0.467 0.000 1.058 216 Q CA -0.682 54.859 55.803 -0.437 0.000 0.802 216 Q CB 2.513 30.941 28.738 -0.516 0.000 1.303 216 Q HN 0.923 nan 8.270 nan 0.000 0.444 217 C N 1.292 120.265 119.300 -0.546 0.000 3.154 217 C HA 0.906 5.365 4.460 -0.001 0.000 0.312 217 C C -1.276 173.589 174.990 -0.209 0.000 1.349 217 C CA -1.035 57.702 59.018 -0.469 0.000 1.518 217 C CB 0.583 27.817 27.740 -0.844 0.000 1.934 217 C HN 0.895 nan 8.230 nan 0.000 0.462 218 L N 1.060 122.224 121.223 -0.098 0.000 2.341 218 L HA 0.937 5.276 4.340 -0.001 0.000 0.267 218 L C -0.919 175.910 176.870 -0.069 0.000 1.009 218 L CA -0.420 54.390 54.840 -0.051 0.000 0.819 218 L CB 2.074 44.130 42.059 -0.005 0.000 1.323 218 L HN 0.775 nan 8.230 nan 0.000 0.425 219 V N 3.573 123.427 119.914 -0.101 0.000 2.638 219 V HA 0.464 4.583 4.120 -0.001 0.000 0.306 219 V C 0.153 176.193 176.094 -0.090 0.000 1.052 219 V CA -0.190 62.059 62.300 -0.084 0.000 0.885 219 V CB 1.610 33.373 31.823 -0.101 0.000 0.999 219 V HN 0.968 nan 8.190 nan 0.000 0.424 220 T N 1.502 116.018 114.554 -0.063 0.000 3.071 220 T HA 0.089 4.439 4.350 -0.001 0.000 0.239 220 T C 0.754 175.417 174.700 -0.062 0.000 0.997 220 T CA 0.142 62.205 62.100 -0.061 0.000 1.134 220 T CB 0.197 69.042 68.868 -0.038 0.000 0.928 220 T HN 0.660 nan 8.240 nan 0.000 0.453 221 E N 3.549 123.718 120.200 -0.051 0.000 1.791 221 E HA 0.161 4.510 4.350 -0.001 0.000 0.263 221 E C -0.435 176.126 176.600 -0.064 0.000 1.213 221 E CA -0.233 56.136 56.400 -0.051 0.000 0.991 221 E CB 0.013 29.690 29.700 -0.038 0.000 1.068 221 E HN 0.435 nan 8.360 nan 0.000 0.417 222 T N 0.056 114.568 114.554 -0.071 0.000 2.930 222 T HA 0.231 4.580 4.350 -0.001 0.000 0.290 222 T C 1.007 175.666 174.700 -0.069 0.000 1.052 222 T CA -0.954 61.098 62.100 -0.080 0.000 1.017 222 T CB 1.734 70.541 68.868 -0.100 0.000 1.137 222 T HN 0.335 nan 8.240 nan 0.000 0.511 223 K N 0.266 120.627 120.400 -0.066 0.000 2.089 223 K HA -0.179 4.140 4.320 -0.001 0.000 0.210 223 K C 1.763 178.336 176.600 -0.046 0.000 1.048 223 K CA 2.234 58.491 56.287 -0.051 0.000 0.926 223 K CB -0.654 31.822 32.500 -0.040 0.000 0.714 223 K HN 0.839 nan 8.250 nan 0.000 0.448 224 T N -3.134 111.386 114.554 -0.057 0.000 3.069 224 T HA 0.169 4.519 4.350 -0.001 0.000 0.252 224 T C 0.455 175.125 174.700 -0.050 0.000 1.053 224 T CA 0.285 62.359 62.100 -0.043 0.000 0.964 224 T CB 0.247 69.090 68.868 -0.042 0.000 1.005 224 T HN 0.178 nan 8.240 nan 0.000 0.532 225 S N -0.478 115.184 115.700 -0.062 0.000 3.490 225 S HA -0.113 4.356 4.470 -0.001 0.000 0.301 225 S C 0.108 174.650 174.600 -0.096 0.000 1.233 225 S CA 0.534 58.692 58.200 -0.069 0.000 0.914 225 S CB -2.138 61.030 63.200 -0.052 0.000 1.047 225 S HN 0.617 nan 8.310 nan 0.000 0.602 226 V N 2.190 122.042 119.914 -0.102 0.000 2.357 226 V HA 0.418 4.537 4.120 -0.001 0.000 0.284 226 V C 0.733 176.759 176.094 -0.114 0.000 1.018 226 V CA -0.563 61.663 62.300 -0.124 0.000 0.841 226 V CB 1.756 33.521 31.823 -0.096 0.000 0.991 226 V HN 0.416 nan 8.190 nan 0.000 0.437 227 S N 5.209 120.841 115.700 -0.113 0.000 2.576 227 S HA 0.536 5.005 4.470 -0.001 0.000 0.272 227 S C 0.185 174.699 174.600 -0.143 0.000 1.352 227 S CA -0.360 57.772 58.200 -0.113 0.000 1.021 227 S CB 0.470 63.616 63.200 -0.090 0.000 0.887 227 S HN 0.930 nan 8.310 nan 0.000 0.542 228 R N 0.389 120.765 120.500 -0.206 0.000 2.733 228 R HA 0.495 4.834 4.340 -0.001 0.000 0.272 228 R C -1.636 174.471 176.300 -0.322 0.000 1.029 228 R CA -0.955 54.994 56.100 -0.251 0.000 0.888 228 R CB 0.670 30.873 30.300 -0.162 0.000 1.251 228 R HN 0.545 nan 8.270 nan 0.000 0.464 229 H N 0.560 119.552 119.070 -0.132 0.000 2.496 229 H HA 0.524 5.080 4.556 -0.001 0.000 0.342 229 H C -0.276 174.841 175.328 -0.352 0.000 1.170 229 H CA -0.560 55.308 56.048 -0.298 0.000 1.274 229 H CB 1.475 30.979 29.762 -0.429 0.000 1.538 229 H HN 0.291 nan 8.280 nan 0.000 0.542 230 I N 2.716 123.053 120.570 -0.388 0.000 2.499 230 I HA 0.179 4.349 4.170 -0.001 0.000 0.288 230 I C -0.700 175.072 176.117 -0.575 0.000 1.048 230 I CA -0.621 60.465 61.300 -0.356 0.000 1.062 230 I CB 1.051 38.891 38.000 -0.266 0.000 1.238 230 I HN 0.456 nan 8.210 nan 0.000 0.426 231 Y N 5.495 125.617 120.300 -0.297 0.000 2.621 231 Y HA 0.721 5.271 4.550 -0.001 0.000 0.334 231 Y C -0.517 174.983 175.900 -0.667 0.000 1.074 231 Y CA -1.045 56.919 58.100 -0.227 0.000 1.149 231 Y CB 1.652 40.222 38.460 0.183 0.000 1.302 231 Y HN 0.270 nan 8.280 nan 0.000 0.501 232 F N 0.904 121.145 119.950 0.485 0.000 2.628 232 F HA 0.621 5.148 4.527 -0.001 0.000 0.309 232 F C -0.984 175.059 175.800 0.405 0.000 1.108 232 F CA -1.177 56.992 58.000 0.282 0.000 0.971 232 F CB 1.834 40.955 39.000 0.202 0.000 1.279 232 F HN 0.400 nan 8.300 nan 0.000 0.441 233 F N -1.265 118.863 119.950 0.296 0.000 2.877 233 F HA 0.665 5.191 4.527 -0.001 0.000 0.319 233 F C -0.643 175.257 175.800 0.167 0.000 1.174 233 F CA -1.410 56.700 58.000 0.183 0.000 0.903 233 F CB 0.902 39.998 39.000 0.160 0.000 1.357 233 F HN 0.318 nan 8.300 nan 0.000 0.472 234 S N 0.294 116.201 115.700 0.345 0.000 2.592 234 S HA 0.782 5.251 4.470 -0.001 0.000 0.271 234 S C -0.561 174.339 174.600 0.500 0.000 1.326 234 S CA 0.286 58.685 58.200 0.332 0.000 1.024 234 S CB 0.721 64.166 63.200 0.407 0.000 0.921 234 S HN 1.323 nan 8.310 nan 0.000 0.527 235 A N 4.090 127.122 122.820 0.353 0.000 2.437 235 A HA 0.546 4.865 4.320 -0.001 0.000 0.293 235 A C -0.496 176.975 177.584 -0.188 0.000 1.038 235 A CA -0.793 51.294 52.037 0.084 0.000 0.708 235 A CB 1.118 20.121 19.000 0.005 0.000 1.251 235 A HN 0.783 nan 8.150 nan 0.000 0.409 236 R N 2.049 122.090 120.500 -0.765 0.000 2.316 236 R HA 0.547 4.887 4.340 -0.001 0.000 0.314 236 R C 0.340 176.418 176.300 -0.370 0.000 1.069 236 R CA 1.408 57.117 56.100 -0.653 0.000 0.959 236 R CB -0.020 29.651 30.300 -1.049 0.000 0.987 236 R HN 2.084 nan 8.270 nan 0.000 0.446 237 G N 3.752 112.438 108.800 -0.190 0.000 2.278 237 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.265 237 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.265 237 G C -0.074 174.802 174.900 -0.041 0.000 1.329 237 G CA -0.523 44.495 45.100 -0.137 0.000 1.017 237 G HN 0.526 nan 8.290 nan 0.000 0.472 238 R N -0.715 119.782 120.500 -0.004 0.000 2.210 238 R HA 0.201 4.541 4.340 -0.001 0.000 0.203 238 R C 0.614 176.995 176.300 0.135 0.000 1.010 238 R CA 0.565 56.703 56.100 0.063 0.000 1.008 238 R CB 0.112 30.459 30.300 0.078 0.000 0.923 238 R HN 0.311 nan 8.270 nan 0.000 0.469 239 I N 2.224 122.880 120.570 0.142 0.000 2.307 239 I HA 0.110 4.280 4.170 -0.001 0.000 0.287 239 I C -0.696 175.563 176.117 0.238 0.000 1.054 239 I CA -0.651 60.819 61.300 0.283 0.000 1.218 239 I CB 0.697 38.898 38.000 0.334 0.000 1.398 239 I HN -0.098 nan 8.210 nan 0.000 0.475 240 D N 8.779 129.357 120.400 0.297 0.000 2.453 240 D HA 0.395 5.034 4.640 -0.001 0.000 0.238 240 D C -1.821 174.661 176.300 0.303 0.000 1.088 240 D CA -1.961 52.179 54.000 0.232 0.000 0.854 240 D CB 2.297 43.222 40.800 0.208 0.000 1.076 240 D HN 0.067 nan 8.370 nan 0.000 0.533 241 P HA -0.221 nan 4.420 nan 0.000 0.217 241 P C 1.596 179.059 177.300 0.271 0.000 1.162 241 P CA 1.211 64.466 63.100 0.259 0.000 0.901 241 P CB 0.190 31.869 31.700 -0.035 0.000 0.793 242 L N -1.511 119.795 121.223 0.139 0.000 2.081 242 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 242 L C 2.377 179.307 176.870 0.101 0.000 1.080 242 L CA 1.377 56.256 54.840 0.066 0.000 0.754 242 L CB -1.154 40.792 42.059 -0.189 0.000 0.893 242 L HN -0.083 nan 8.230 nan 0.000 0.433 243 V N -1.139 118.850 119.914 0.125 0.000 2.295 243 V HA -0.312 3.807 4.120 -0.001 0.000 0.246 243 V C 2.183 178.229 176.094 -0.081 0.000 1.049 243 V CA 1.850 64.152 62.300 0.003 0.000 1.024 243 V CB -0.687 31.068 31.823 -0.114 0.000 0.648 243 V HN 0.310 nan 8.190 nan 0.000 0.447 244 Y N -0.742 119.649 120.300 0.152 0.000 2.293 244 Y HA -0.178 4.371 4.550 -0.001 0.000 0.291 244 Y C 2.199 178.175 175.900 0.127 0.000 1.137 244 Y CA 1.432 59.644 58.100 0.186 0.000 1.202 244 Y CB -0.266 38.361 38.460 0.277 0.000 0.990 244 Y HN 0.205 nan 8.280 nan 0.000 0.537 245 L N 0.452 121.780 121.223 0.175 0.000 2.056 245 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 245 L C 1.840 178.573 176.870 -0.228 0.000 1.078 245 L CA 2.127 56.881 54.840 -0.144 0.000 0.749 245 L CB -0.758 41.167 42.059 -0.222 0.000 0.901 245 L HN 0.189 nan 8.230 nan 0.000 0.433 246 D N -1.102 119.231 120.400 -0.112 0.000 2.123 246 D HA -0.216 4.423 4.640 -0.001 0.000 0.196 246 D C 1.941 178.203 176.300 -0.064 0.000 0.992 246 D CA 1.248 55.199 54.000 -0.082 0.000 0.833 246 D CB 0.091 40.918 40.800 0.045 0.000 0.954 246 D HN 0.344 nan 8.370 nan 0.000 0.455 247 E N -0.528 119.654 120.200 -0.030 0.000 2.106 247 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 247 E C 1.876 178.463 176.600 -0.022 0.000 0.984 247 E CA 0.344 56.743 56.400 -0.002 0.000 0.806 247 E CB -0.469 29.254 29.700 0.037 0.000 0.750 247 E HN 0.441 nan 8.360 nan 0.000 0.458 248 F N 1.613 121.411 119.950 -0.252 0.000 2.051 248 F HA -0.140 4.387 4.527 -0.001 0.000 0.296 248 F C 2.136 177.710 175.800 -0.376 0.000 1.122 248 F CA 1.211 58.976 58.000 -0.392 0.000 1.201 248 F CB -0.617 37.829 39.000 -0.923 0.000 0.978 248 F HN -0.098 nan 8.300 nan 0.000 0.472 249 L N 0.369 121.065 121.223 -0.878 0.000 2.081 249 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 249 L C 2.628 179.282 176.870 -0.361 0.000 1.080 249 L CA 1.669 55.886 54.840 -1.037 0.000 0.754 249 L CB -0.626 40.729 42.059 -1.174 0.000 0.893 249 L HN 0.172 nan 8.230 nan 0.000 0.433 250 R N -0.546 119.852 120.500 -0.171 0.000 2.193 250 R HA -0.028 4.311 4.340 -0.001 0.000 0.213 250 R C 1.276 177.559 176.300 -0.029 0.000 1.055 250 R CA 0.669 56.777 56.100 0.013 0.000 0.995 250 R CB -0.159 30.177 30.300 0.059 0.000 0.893 250 R HN 0.446 nan 8.270 nan 0.000 0.459 251 N N -0.244 118.397 118.700 -0.100 0.000 2.205 251 N HA 0.119 4.859 4.740 -0.001 0.000 0.201 251 N C -0.300 175.155 175.510 -0.092 0.000 1.128 251 N CA 0.212 53.221 53.050 -0.068 0.000 0.867 251 N CB 1.088 39.557 38.487 -0.028 0.000 0.996 251 N HN -0.049 nan 8.380 nan 0.000 0.503 252 S N -0.027 115.573 115.700 -0.166 0.000 2.745 252 S HA 0.540 5.009 4.470 -0.001 0.000 0.306 252 S C -0.620 173.964 174.600 -0.026 0.000 1.137 252 S CA -0.614 57.515 58.200 -0.118 0.000 0.900 252 S CB 2.374 65.443 63.200 -0.220 0.000 1.176 252 S HN 0.044 nan 8.310 nan 0.000 0.520 253 E N 0.206 120.355 120.200 -0.086 0.000 2.433 253 E HA 0.490 4.839 4.350 -0.001 0.000 0.273 253 E C -2.878 173.425 176.600 -0.495 0.000 0.950 253 E CA -2.016 54.097 56.400 -0.479 0.000 0.796 253 E CB 0.948 30.425 29.700 -0.372 0.000 1.330 253 E HN 0.223 nan 8.360 nan 0.000 0.455 254 P HA 0.099 nan 4.420 nan 0.000 0.270 254 P C -1.145 176.112 177.300 -0.071 0.000 1.223 254 P CA -0.234 62.547 63.100 -0.531 0.000 0.785 254 P CB 0.513 31.655 31.700 -0.929 0.000 0.923 255 V N 2.730 122.744 119.914 0.167 0.000 2.531 255 V HA 0.233 4.352 4.120 -0.001 0.000 0.301 255 V C 0.130 176.368 176.094 0.239 0.000 1.034 255 V CA -0.783 61.628 62.300 0.186 0.000 0.865 255 V CB 1.541 33.460 31.823 0.161 0.000 0.995 255 V HN 0.384 nan 8.190 nan 0.000 0.424 256 L N 3.579 124.884 121.223 0.137 0.000 2.540 256 L HA 0.151 4.490 4.340 -0.001 0.000 0.276 256 L C 0.723 177.599 176.870 0.011 0.000 1.212 256 L CA -0.046 54.791 54.840 -0.005 0.000 0.893 256 L CB 0.143 42.171 42.059 -0.053 0.000 1.138 256 L HN 0.575 nan 8.230 nan 0.000 0.491 257 K N 4.567 124.952 120.400 -0.026 0.000 2.453 257 K HA -0.000 4.319 4.320 -0.001 0.000 0.280 257 K C -0.002 176.598 176.600 0.000 0.000 1.045 257 K CA 0.274 56.563 56.287 0.005 0.000 1.059 257 K CB 0.280 32.773 32.500 -0.012 0.000 0.901 257 K HN 0.415 nan 8.250 nan 0.000 0.475 258 R N 3.465 123.979 120.500 0.023 0.000 2.441 258 R HA 0.229 4.569 4.340 -0.001 0.000 0.284 258 R C -0.827 175.490 176.300 0.028 0.000 1.070 258 R CA -0.535 55.582 56.100 0.028 0.000 1.047 258 R CB 0.964 31.292 30.300 0.047 0.000 1.016 258 R HN 0.515 nan 8.270 nan 0.000 0.477 259 V N 4.264 124.197 119.914 0.031 0.000 2.546 259 V HA 0.157 4.276 4.120 -0.001 0.000 0.284 259 V C -0.391 175.762 176.094 0.098 0.000 1.050 259 V CA 0.014 62.337 62.300 0.039 0.000 0.981 259 V CB 1.087 32.918 31.823 0.014 0.000 0.990 259 V HN 0.986 nan 8.190 nan 0.000 0.474 260 N N 4.522 123.279 118.700 0.096 0.000 2.305 260 N HA 0.397 5.136 4.740 -0.001 0.000 0.248 260 N C -1.044 174.549 175.510 0.137 0.000 1.290 260 N CA -0.445 52.678 53.050 0.122 0.000 0.873 260 N CB 0.645 39.135 38.487 0.004 0.000 1.261 260 N HN 0.503 nan 8.380 nan 0.000 0.504 261 R N -0.712 119.895 120.500 0.179 0.000 2.673 261 R HA 0.343 4.683 4.340 -0.001 0.000 0.281 261 R C 0.564 176.936 176.300 0.120 0.000 0.991 261 R CA -0.757 55.430 56.100 0.146 0.000 0.896 261 R CB 0.576 30.904 30.300 0.047 0.000 1.201 261 R HN 0.071 nan 8.270 nan 0.000 0.457 262 T N -2.213 112.399 114.554 0.096 0.000 3.215 262 T HA 0.027 4.376 4.350 -0.001 0.000 0.254 262 T C 1.639 176.334 174.700 -0.009 0.000 1.149 262 T CA 0.512 62.585 62.100 -0.045 0.000 1.042 262 T CB -0.043 68.809 68.868 -0.027 0.000 0.966 262 T HN 0.681 nan 8.240 nan 0.000 0.534 263 G N 2.287 111.096 108.800 0.014 0.000 2.462 263 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.220 263 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.220 263 G C 0.750 175.650 174.900 0.000 0.000 1.121 263 G CA 0.520 45.631 45.100 0.018 0.000 0.758 263 G HN 0.742 nan 8.290 nan 0.000 0.559 264 N N -0.513 118.173 118.700 -0.022 0.000 2.701 264 N HA -0.205 4.534 4.740 -0.001 0.000 0.250 264 N C 0.353 175.851 175.510 -0.020 0.000 1.046 264 N CA 0.128 53.157 53.050 -0.035 0.000 0.733 264 N CB -0.812 37.648 38.487 -0.045 0.000 0.973 264 N HN 0.370 nan 8.380 nan 0.000 0.541 265 S N -0.696 114.998 115.700 -0.011 0.000 2.593 265 S HA 0.225 4.695 4.470 -0.001 0.000 0.269 265 S C 1.222 175.815 174.600 -0.012 0.000 1.334 265 S CA -0.102 58.094 58.200 -0.007 0.000 1.015 265 S CB 1.614 64.814 63.200 -0.000 0.000 0.912 265 S HN 0.297 nan 8.310 nan 0.000 0.541 266 S N 1.950 117.644 115.700 -0.009 0.000 2.593 266 S HA 0.114 4.583 4.470 -0.001 0.000 0.217 266 S C 0.741 175.335 174.600 -0.010 0.000 0.966 266 S CA 0.187 58.380 58.200 -0.011 0.000 0.914 266 S CB -0.214 62.981 63.200 -0.009 0.000 0.776 266 S HN 0.605 nan 8.310 nan 0.000 0.523 267 S N 1.235 116.931 115.700 -0.007 0.000 2.790 267 S HA 0.387 4.856 4.470 -0.001 0.000 0.202 267 S C 0.611 175.207 174.600 -0.007 0.000 1.383 267 S CA -0.715 57.482 58.200 -0.005 0.000 1.026 267 S CB -0.645 62.555 63.200 -0.000 0.000 1.253 267 S HN 0.587 nan 8.310 nan 0.000 0.489 268 N N 2.533 121.226 118.700 -0.012 0.000 2.290 268 N HA -0.027 4.713 4.740 -0.001 0.000 0.179 268 N C 0.782 176.285 175.510 -0.011 0.000 1.016 268 N CA -0.009 53.032 53.050 -0.015 0.000 0.871 268 N CB 0.046 38.516 38.487 -0.028 0.000 0.987 268 N HN 0.341 nan 8.380 nan 0.000 0.431 269 K N 0.491 120.886 120.400 -0.009 0.000 6.395 269 K HA -0.338 3.982 4.320 -0.001 0.000 0.314 269 K C 0.308 176.908 176.600 -0.000 0.000 0.630 269 K CA 1.432 57.719 56.287 0.000 0.000 1.058 269 K CB -1.491 31.014 32.500 0.007 0.000 0.792 269 K HN 0.401 nan 8.250 nan 0.000 0.909 270 Q N 2.740 122.546 119.800 0.010 0.000 2.436 270 Q HA -0.087 4.252 4.340 -0.001 0.000 0.326 270 Q C 1.183 177.174 176.000 -0.015 0.000 1.079 270 Q CA 1.192 57.008 55.803 0.022 0.000 1.049 270 Q CB 0.446 29.202 28.738 0.031 0.000 1.047 270 Q HN 0.429 nan 8.270 nan 0.000 0.386 271 E N 3.570 123.752 120.200 -0.029 0.000 2.099 271 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 271 E C -0.503 175.912 176.600 -0.309 0.000 0.962 271 E CA 0.396 56.672 56.400 -0.207 0.000 0.826 271 E CB 0.252 29.778 29.700 -0.289 0.000 0.788 271 E HN 0.684 nan 8.360 nan 0.000 0.461 272 Y N 0.353 120.678 120.300 0.041 0.000 2.631 272 Y HA 0.314 4.864 4.550 -0.001 0.000 0.328 272 Y C 0.004 175.952 175.900 0.081 0.000 1.118 272 Y CA -0.967 57.165 58.100 0.053 0.000 1.206 272 Y CB 1.447 39.942 38.460 0.060 0.000 1.337 272 Y HN -0.016 nan 8.280 nan 0.000 0.515 273 Q N -0.217 119.760 119.800 0.296 0.000 2.484 273 Q HA 0.434 4.774 4.340 -0.001 0.000 0.285 273 Q C -0.626 175.538 176.000 0.273 0.000 1.097 273 Q CA -0.871 55.061 55.803 0.215 0.000 0.802 273 Q CB 2.165 30.980 28.738 0.128 0.000 1.444 273 Q HN 0.619 nan 8.270 nan 0.000 0.429 274 L N 0.091 121.464 121.223 0.250 0.000 2.095 274 L HA 0.260 4.600 4.340 -0.001 0.000 0.204 274 L C 0.040 177.121 176.870 0.352 0.000 1.080 274 L CA 1.558 56.601 54.840 0.339 0.000 0.759 274 L CB 0.145 42.377 42.059 0.289 0.000 0.914 274 L HN 0.673 nan 8.230 nan 0.000 0.439 275 L N -1.670 119.678 121.223 0.209 0.000 2.183 275 L HA 0.399 4.738 4.340 -0.001 0.000 0.253 275 L C -0.269 176.704 176.870 0.171 0.000 1.048 275 L CA -1.064 53.900 54.840 0.208 0.000 0.890 275 L CB 1.232 43.370 42.059 0.133 0.000 1.476 275 L HN -0.299 nan 8.230 nan 0.000 0.455 276 K N 0.486 121.010 120.400 0.206 0.000 2.183 276 K HA 0.185 4.504 4.320 -0.001 0.000 0.274 276 K C -0.062 176.705 176.600 0.278 0.000 1.009 276 K CA -0.610 55.794 56.287 0.194 0.000 0.888 276 K CB 1.582 34.181 32.500 0.165 0.000 1.078 276 K HN 0.474 nan 8.250 nan 0.000 0.459 277 D N 1.611 122.150 120.400 0.231 0.000 2.158 277 D HA -0.182 4.457 4.640 -0.001 0.000 0.197 277 D C 0.713 177.188 176.300 0.292 0.000 0.995 277 D CA 1.510 55.694 54.000 0.307 0.000 0.846 277 D CB 0.227 41.137 40.800 0.184 0.000 0.941 277 D HN 0.443 nan 8.370 nan 0.000 0.456 278 N N 0.554 119.367 118.700 0.188 0.000 2.521 278 N HA -0.051 4.688 4.740 -0.001 0.000 0.188 278 N C 1.662 177.240 175.510 0.115 0.000 1.146 278 N CA -0.052 53.070 53.050 0.120 0.000 0.893 278 N CB -0.063 38.480 38.487 0.094 0.000 0.975 278 N HN 0.189 nan 8.380 nan 0.000 0.451 279 L N 0.174 121.509 121.223 0.187 0.000 2.083 279 L HA -0.047 4.293 4.340 -0.001 0.000 0.209 279 L C 1.965 178.880 176.870 0.075 0.000 1.083 279 L CA 1.215 56.171 54.840 0.193 0.000 0.752 279 L CB -0.713 41.527 42.059 0.301 0.000 0.899 279 L HN -0.038 nan 8.230 nan 0.000 0.433 280 V N -0.147 119.599 119.914 -0.280 0.000 2.380 280 V HA -0.357 3.762 4.120 -0.001 0.000 0.251 280 V C 2.926 178.947 176.094 -0.120 0.000 1.063 280 V CA 2.268 64.266 62.300 -0.503 0.000 1.055 280 V CB -0.401 30.765 31.823 -1.095 0.000 0.657 280 V HN 0.644 nan 8.190 nan 0.000 0.455 281 R N 0.699 121.164 120.500 -0.058 0.000 2.075 281 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 281 R C 2.582 178.908 176.300 0.044 0.000 1.126 281 R CA 2.033 58.131 56.100 -0.003 0.000 0.963 281 R CB -0.599 29.709 30.300 0.013 0.000 0.858 281 R HN 0.732 nan 8.270 nan 0.000 0.435 282 S N -1.035 114.733 115.700 0.114 0.000 2.387 282 S HA -0.150 4.320 4.470 -0.001 0.000 0.226 282 S C 2.010 176.685 174.600 0.125 0.000 1.026 282 S CA 0.782 59.084 58.200 0.170 0.000 0.972 282 S CB -0.725 62.641 63.200 0.278 0.000 0.814 282 S HN 0.464 nan 8.310 nan 0.000 0.477 283 Y N 3.391 123.709 120.300 0.030 0.000 2.114 283 Y HA -0.075 4.475 4.550 -0.001 0.000 0.284 283 Y C 2.131 177.914 175.900 -0.196 0.000 1.143 283 Y CA 1.842 59.820 58.100 -0.204 0.000 1.135 283 Y CB -0.897 37.563 38.460 -0.000 0.000 0.980 283 Y HN 0.185 nan 8.280 nan 0.000 0.499 284 N N 0.598 119.213 118.700 -0.142 0.000 2.094 284 N HA -0.188 4.552 4.740 -0.001 0.000 0.191 284 N C 1.759 177.149 175.510 -0.199 0.000 1.023 284 N CA 1.800 54.736 53.050 -0.190 0.000 0.857 284 N CB -0.320 38.133 38.487 -0.057 0.000 1.013 284 N HN 0.424 nan 8.380 nan 0.000 0.426 285 K N 0.489 120.811 120.400 -0.131 0.000 2.002 285 K HA -0.028 4.291 4.320 -0.001 0.000 0.209 285 K C 2.075 178.583 176.600 -0.154 0.000 1.048 285 K CA 1.281 57.508 56.287 -0.100 0.000 0.930 285 K CB -0.242 32.236 32.500 -0.036 0.000 0.714 285 K HN 0.150 nan 8.250 nan 0.000 0.438 286 A N 1.632 124.316 122.820 -0.225 0.000 1.892 286 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 286 A C 2.087 179.519 177.584 -0.253 0.000 1.188 286 A CA 1.353 53.257 52.037 -0.222 0.000 0.631 286 A CB -0.631 18.099 19.000 -0.449 0.000 0.822 286 A HN 0.192 nan 8.150 nan 0.000 0.447 287 L N -0.010 120.976 121.223 -0.394 0.000 2.017 287 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 287 L C 2.313 178.922 176.870 -0.435 0.000 1.073 287 L CA 2.555 57.069 54.840 -0.544 0.000 0.745 287 L CB -0.985 40.674 42.059 -0.666 0.000 0.894 287 L HN 0.540 nan 8.230 nan 0.000 0.432 288 K N -0.572 119.677 120.400 -0.250 0.000 2.103 288 K HA -0.207 4.112 4.320 -0.001 0.000 0.207 288 K C 1.896 178.433 176.600 -0.105 0.000 1.048 288 K CA 1.598 57.817 56.287 -0.114 0.000 0.930 288 K CB 0.013 32.479 32.500 -0.058 0.000 0.716 288 K HN 0.264 nan 8.250 nan 0.000 0.444 289 K N -0.547 119.775 120.400 -0.129 0.000 2.426 289 K HA 0.070 4.390 4.320 -0.001 0.000 0.193 289 K C 0.824 177.344 176.600 -0.133 0.000 1.028 289 K CA 0.413 56.640 56.287 -0.100 0.000 1.047 289 K CB 0.364 32.823 32.500 -0.068 0.000 0.821 289 K HN 0.219 nan 8.250 nan 0.000 0.513 290 N N -0.293 118.274 118.700 -0.222 0.000 2.218 290 N HA 0.061 4.800 4.740 -0.001 0.000 0.224 290 N C -0.221 175.083 175.510 -0.343 0.000 1.248 290 N CA -0.001 52.895 53.050 -0.257 0.000 0.875 290 N CB 0.769 39.095 38.487 -0.269 0.000 1.165 290 N HN -0.049 nan 8.380 nan 0.000 0.485 291 A N 3.357 125.896 122.820 -0.468 0.000 2.546 291 A HA 0.158 4.477 4.320 -0.001 0.000 0.243 291 A C -1.619 175.851 177.584 -0.190 0.000 1.063 291 A CA -0.429 51.311 52.037 -0.495 0.000 0.757 291 A CB -0.105 18.265 19.000 -1.050 0.000 0.991 291 A HN 0.016 nan 8.150 nan 0.000 0.503 292 P HA 0.153 nan 4.420 nan 0.000 0.246 292 P C -1.208 175.666 177.300 -0.709 0.000 1.686 292 P CA 0.656 63.513 63.100 -0.405 0.000 0.867 292 P CB -0.586 30.827 31.700 -0.477 0.000 1.733 293 Y N -1.193 119.187 120.300 0.134 0.000 2.513 293 Y HA 0.128 4.678 4.550 -0.001 0.000 0.340 293 Y C 1.772 177.710 175.900 0.064 0.000 1.055 293 Y CA -0.708 57.448 58.100 0.093 0.000 1.020 293 Y CB 1.538 40.038 38.460 0.067 0.000 1.301 293 Y HN -0.199 nan 8.280 nan 0.000 0.453 294 S N 0.694 116.464 115.700 0.117 0.000 2.423 294 S HA -0.174 4.295 4.470 -0.001 0.000 0.231 294 S C 1.815 176.400 174.600 -0.024 0.000 1.014 294 S CA 1.245 59.470 58.200 0.041 0.000 0.965 294 S CB -0.215 62.994 63.200 0.015 0.000 0.785 294 S HN 0.719 nan 8.310 nan 0.000 0.495 295 I N 1.935 122.417 120.570 -0.147 0.000 2.248 295 I HA -0.098 4.071 4.170 -0.001 0.000 0.248 295 I C 1.582 177.536 176.117 -0.271 0.000 1.107 295 I CA 0.799 61.915 61.300 -0.307 0.000 1.373 295 I CB -0.843 36.835 38.000 -0.537 0.000 1.055 295 I HN 0.293 nan 8.210 nan 0.000 0.418 296 F N 0.314 120.256 119.950 -0.013 0.000 2.722 296 F HA 0.029 4.556 4.527 -0.001 0.000 0.298 296 F C 2.092 177.874 175.800 -0.031 0.000 1.175 296 F CA 0.507 58.488 58.000 -0.032 0.000 1.462 296 F CB -0.432 38.539 39.000 -0.048 0.000 1.111 296 F HN 0.179 nan 8.300 nan 0.000 0.592 297 A N -0.181 122.707 122.820 0.113 0.000 2.430 297 A HA 0.346 4.665 4.320 -0.001 0.000 0.243 297 A C 0.489 178.109 177.584 0.061 0.000 1.254 297 A CA -0.249 51.834 52.037 0.076 0.000 0.914 297 A CB -0.344 18.692 19.000 0.061 0.000 0.998 297 A HN 0.223 nan 8.150 nan 0.000 0.515 298 I N 1.085 121.687 120.570 0.052 0.000 2.325 298 I HA 0.133 4.303 4.170 -0.001 0.000 0.291 298 I C 0.455 176.602 176.117 0.051 0.000 1.019 298 I CA -0.534 60.806 61.300 0.067 0.000 1.302 298 I CB 1.357 39.398 38.000 0.069 0.000 1.401 298 I HN 0.161 nan 8.210 nan 0.000 0.485 299 K N 7.213 127.642 120.400 0.048 0.000 2.491 299 K HA -0.065 4.254 4.320 -0.001 0.000 0.279 299 K C 0.337 176.959 176.600 0.036 0.000 1.026 299 K CA 0.492 56.800 56.287 0.036 0.000 1.070 299 K CB 0.155 32.671 32.500 0.027 0.000 0.887 299 K HN 0.709 nan 8.250 nan 0.000 0.481 300 N N 1.101 119.820 118.700 0.033 0.000 2.901 300 N HA -0.128 4.611 4.740 -0.001 0.000 0.248 300 N C -0.084 175.447 175.510 0.035 0.000 1.044 300 N CA 1.142 54.212 53.050 0.033 0.000 0.847 300 N CB -1.429 37.078 38.487 0.033 0.000 1.127 300 N HN 0.761 nan 8.380 nan 0.000 0.562 301 G N 0.825 109.644 108.800 0.031 0.000 2.504 301 G HA2 0.531 4.491 3.960 -0.001 0.000 0.288 301 G HA3 0.531 4.491 3.960 -0.001 0.000 0.288 301 G C -2.227 172.694 174.900 0.034 0.000 1.182 301 G CA -0.719 44.387 45.100 0.010 0.000 0.894 301 G HN -0.045 nan 8.290 nan 0.000 0.521 302 P HA 0.110 nan 4.420 nan 0.000 0.264 302 P C -0.328 177.075 177.300 0.172 0.000 1.193 302 P CA 0.125 63.289 63.100 0.108 0.000 0.763 302 P CB 1.676 33.374 31.700 -0.003 0.000 0.810 303 K N 1.823 122.366 120.400 0.239 0.000 2.602 303 K HA 0.059 4.379 4.320 -0.001 0.000 0.245 303 K C 2.047 178.850 176.600 0.339 0.000 1.288 303 K CA 0.855 57.301 56.287 0.265 0.000 0.782 303 K CB -0.994 31.583 32.500 0.128 0.000 1.694 303 K HN 0.498 nan 8.250 nan 0.000 0.384 304 S N 0.841 116.746 115.700 0.341 0.000 2.481 304 S HA -0.079 4.391 4.470 -0.001 0.000 0.231 304 S C 1.577 176.470 174.600 0.489 0.000 0.996 304 S CA 0.981 59.491 58.200 0.517 0.000 0.942 304 S CB -0.339 63.122 63.200 0.435 0.000 0.768 304 S HN 0.255 nan 8.310 nan 0.000 0.520 305 H N 0.447 119.688 119.070 0.286 0.000 2.556 305 H HA 0.363 4.918 4.556 -0.001 0.000 0.268 305 H C 1.381 176.934 175.328 0.376 0.000 0.996 305 H CA -0.202 56.012 56.048 0.276 0.000 1.157 305 H CB -0.331 29.584 29.762 0.255 0.000 1.355 305 H HN 0.397 nan 8.280 nan 0.000 0.597 306 I N -0.403 120.445 120.570 0.463 0.000 2.361 306 I HA -0.102 4.067 4.170 -0.001 0.000 0.251 306 I C 2.446 178.780 176.117 0.362 0.000 1.133 306 I CA 1.305 62.855 61.300 0.416 0.000 1.413 306 I CB -0.619 37.668 38.000 0.478 0.000 1.073 306 I HN 0.308 nan 8.210 nan 0.000 0.424 307 G N -0.015 108.975 108.800 0.317 0.000 2.442 307 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.219 307 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.219 307 G C 1.925 176.905 174.900 0.134 0.000 1.141 307 G CA 0.614 45.824 45.100 0.182 0.000 0.763 307 G HN 0.325 nan 8.290 nan 0.000 0.554 308 R N -0.716 119.800 120.500 0.026 0.000 2.073 308 R HA -0.058 4.281 4.340 -0.001 0.000 0.234 308 R C 2.365 178.652 176.300 -0.022 0.000 1.134 308 R CA 1.478 57.517 56.100 -0.102 0.000 0.952 308 R CB -0.398 29.680 30.300 -0.369 0.000 0.850 308 R HN 0.498 nan 8.270 nan 0.000 0.433 309 H N 0.316 119.416 119.070 0.050 0.000 2.353 309 H HA -0.091 4.465 4.556 -0.001 0.000 0.300 309 H C 2.074 177.449 175.328 0.078 0.000 1.090 309 H CA 1.586 57.671 56.048 0.061 0.000 1.327 309 H CB -0.130 29.656 29.762 0.039 0.000 1.383 309 H HN 0.075 nan 8.280 nan 0.000 0.508 310 L N -0.695 120.666 121.223 0.230 0.000 1.955 310 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 310 L C 2.497 179.544 176.870 0.295 0.000 1.072 310 L CA 1.433 56.391 54.840 0.196 0.000 0.755 310 L CB -0.376 41.738 42.059 0.092 0.000 0.888 310 L HN 0.314 nan 8.230 nan 0.000 0.432 311 M N -0.193 119.598 119.600 0.319 0.000 2.080 311 M HA -0.181 4.298 4.480 -0.001 0.000 0.260 311 M C 2.232 178.626 176.300 0.156 0.000 1.068 311 M CA 2.146 57.523 55.300 0.130 0.000 1.109 311 M CB -0.780 31.705 32.600 -0.191 0.000 1.342 311 M HN 0.136 nan 8.290 nan 0.000 0.405 312 T N 0.043 114.667 114.554 0.116 0.000 2.597 312 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 312 T C 1.934 176.682 174.700 0.079 0.000 1.053 312 T CA 2.170 64.324 62.100 0.090 0.000 1.165 312 T CB -0.677 68.233 68.868 0.070 0.000 0.863 312 T HN 0.476 nan 8.240 nan 0.000 0.427 313 S N 0.767 116.530 115.700 0.105 0.000 2.370 313 S HA -0.085 4.384 4.470 -0.001 0.000 0.226 313 S C 1.637 176.302 174.600 0.109 0.000 1.033 313 S CA 1.097 59.349 58.200 0.087 0.000 1.011 313 S CB -0.586 62.671 63.200 0.094 0.000 0.852 313 S HN 0.482 nan 8.310 nan 0.000 0.457 314 F N 2.386 122.350 119.950 0.023 0.000 2.091 314 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 314 F C 1.806 177.607 175.800 0.002 0.000 1.103 314 F CA 1.417 59.429 58.000 0.020 0.000 1.228 314 F CB -0.565 38.455 39.000 0.033 0.000 0.984 314 F HN 0.116 nan 8.300 nan 0.000 0.477 315 L N -0.762 120.437 121.223 -0.040 0.000 2.083 315 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 315 L C 2.786 179.559 176.870 -0.162 0.000 1.083 315 L CA 1.503 56.247 54.840 -0.159 0.000 0.752 315 L CB -1.078 40.958 42.059 -0.037 0.000 0.899 315 L HN 0.283 nan 8.230 nan 0.000 0.433 316 S N -0.068 115.575 115.700 -0.095 0.000 2.359 316 S HA -0.274 4.195 4.470 -0.001 0.000 0.224 316 S C 2.102 176.645 174.600 -0.096 0.000 1.035 316 S CA 1.588 59.737 58.200 -0.084 0.000 1.018 316 S CB -0.220 62.946 63.200 -0.057 0.000 0.876 316 S HN 0.361 nan 8.310 nan 0.000 0.448 317 M N 0.654 120.190 119.600 -0.108 0.000 2.080 317 M HA -0.064 4.415 4.480 -0.001 0.000 0.260 317 M C 1.294 177.511 176.300 -0.139 0.000 1.068 317 M CA 1.631 56.870 55.300 -0.103 0.000 1.109 317 M CB -0.472 32.077 32.600 -0.085 0.000 1.342 317 M HN 0.155 nan 8.290 nan 0.000 0.405 318 K N 0.752 120.994 120.400 -0.264 0.000 2.589 318 K HA 0.044 4.363 4.320 -0.001 0.000 0.192 318 K C 0.757 177.291 176.600 -0.110 0.000 1.029 318 K CA 0.783 56.926 56.287 -0.240 0.000 1.031 318 K CB -1.085 31.123 32.500 -0.487 0.000 0.821 318 K HN 0.700 nan 8.250 nan 0.000 0.502 319 G N 1.707 110.455 108.800 -0.087 0.000 2.356 319 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.296 319 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.296 319 G C 0.197 175.064 174.900 -0.056 0.000 1.022 319 G CA 0.191 45.269 45.100 -0.037 0.000 0.961 319 G HN 0.387 nan 8.290 nan 0.000 0.510 320 L N 0.459 121.608 121.223 -0.124 0.000 3.186 320 L HA 0.205 4.544 4.340 -0.001 0.000 0.292 320 L C 1.959 178.762 176.870 -0.111 0.000 1.303 320 L CA 0.331 55.080 54.840 -0.150 0.000 0.940 320 L CB 0.386 42.287 42.059 -0.263 0.000 1.358 320 L HN 0.357 nan 8.230 nan 0.000 0.581 321 T N -3.994 110.509 114.554 -0.086 0.000 3.155 321 T HA -0.133 4.217 4.350 -0.001 0.000 0.264 321 T C 1.289 175.946 174.700 -0.073 0.000 1.160 321 T CA 0.915 62.965 62.100 -0.083 0.000 1.075 321 T CB -0.178 68.641 68.868 -0.081 0.000 0.921 321 T HN 0.641 nan 8.240 nan 0.000 0.533 322 E N 0.662 120.825 120.200 -0.062 0.000 2.442 322 E HA 0.086 4.436 4.350 -0.001 0.000 0.195 322 E C 1.766 178.330 176.600 -0.059 0.000 1.030 322 E CA 0.118 56.491 56.400 -0.045 0.000 0.869 322 E CB -0.283 29.406 29.700 -0.018 0.000 0.857 322 E HN 0.504 nan 8.360 nan 0.000 0.505 323 L N 0.969 122.137 121.223 -0.090 0.000 2.554 323 L HA 0.086 4.426 4.340 -0.001 0.000 0.225 323 L C 1.972 178.762 176.870 -0.132 0.000 1.104 323 L CA 0.354 55.109 54.840 -0.142 0.000 0.866 323 L CB -0.017 41.923 42.059 -0.199 0.000 1.047 323 L HN 0.110 nan 8.230 nan 0.000 0.468 324 T N 0.347 114.855 114.554 -0.077 0.000 2.555 324 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 324 T C 1.628 176.392 174.700 0.107 0.000 1.083 324 T CA 1.942 64.034 62.100 -0.013 0.000 1.179 324 T CB -0.283 68.545 68.868 -0.066 0.000 0.863 324 T HN 0.299 nan 8.240 nan 0.000 0.412 325 N N 0.984 119.739 118.700 0.091 0.000 2.137 325 N HA -0.098 4.641 4.740 -0.001 0.000 0.190 325 N C 1.894 177.483 175.510 0.131 0.000 1.017 325 N CA 0.941 54.122 53.050 0.218 0.000 0.859 325 N CB -0.784 37.766 38.487 0.105 0.000 1.002 325 N HN 0.295 nan 8.380 nan 0.000 0.428 326 V N 0.052 119.968 119.914 0.004 0.000 2.591 326 V HA -0.049 4.071 4.120 -0.001 0.000 0.249 326 V C 2.328 178.332 176.094 -0.150 0.000 1.053 326 V CA 0.768 63.029 62.300 -0.066 0.000 1.068 326 V CB -0.333 31.432 31.823 -0.096 0.000 0.689 326 V HN 0.044 nan 8.190 nan 0.000 0.462 327 V N 1.225 121.010 119.914 -0.214 0.000 2.407 327 V HA -0.013 4.107 4.120 -0.001 0.000 0.245 327 V C 2.491 178.433 176.094 -0.252 0.000 1.041 327 V CA 2.077 64.160 62.300 -0.361 0.000 1.040 327 V CB -0.977 30.534 31.823 -0.519 0.000 0.671 327 V HN 0.585 nan 8.190 nan 0.000 0.455 328 G N -0.639 108.073 108.800 -0.147 0.000 2.880 328 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.209 328 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.209 328 G C 0.635 175.185 174.900 -0.582 0.000 1.157 328 G CA 0.549 45.405 45.100 -0.407 0.000 0.779 328 G HN 0.557 nan 8.290 nan 0.000 0.539 329 N N -0.638 117.892 118.700 -0.283 0.000 2.753 329 N HA -0.129 4.611 4.740 -0.001 0.000 0.252 329 N C -0.564 174.802 175.510 -0.240 0.000 1.071 329 N CA 0.344 53.255 53.050 -0.232 0.000 0.690 329 N CB -1.628 36.704 38.487 -0.259 0.000 0.906 329 N HN 0.340 nan 8.380 nan 0.000 0.552 330 W N 0.274 121.532 121.300 -0.070 0.000 2.509 330 W HA 0.463 5.122 4.660 -0.001 0.000 0.351 330 W C 0.642 177.136 176.519 -0.043 0.000 1.107 330 W CA -0.678 56.634 57.345 -0.054 0.000 1.264 330 W CB 1.287 30.711 29.460 -0.059 0.000 1.312 330 W HN 0.009 nan 8.180 nan 0.000 0.608 331 S N 1.763 117.594 115.700 0.217 0.000 2.528 331 S HA 0.019 4.488 4.470 -0.001 0.000 0.277 331 S C -0.387 174.266 174.600 0.088 0.000 1.297 331 S CA -0.026 58.240 58.200 0.111 0.000 1.052 331 S CB 0.343 63.592 63.200 0.082 0.000 0.917 331 S HN 0.187 nan 8.310 nan 0.000 0.492 332 D N 2.616 123.051 120.400 0.058 0.000 2.471 332 D HA 0.128 4.767 4.640 -0.001 0.000 0.245 332 D C -0.676 175.638 176.300 0.024 0.000 1.116 332 D CA -0.645 53.375 54.000 0.033 0.000 0.853 332 D CB 0.678 41.495 40.800 0.029 0.000 1.123 332 D HN 0.148 nan 8.370 nan 0.000 0.540 333 K N 3.232 123.642 120.400 0.016 0.000 2.319 333 K HA 0.022 4.341 4.320 -0.001 0.000 0.277 333 K C 0.616 177.223 176.600 0.011 0.000 1.111 333 K CA -0.163 56.132 56.287 0.013 0.000 1.093 333 K CB 0.093 32.597 32.500 0.008 0.000 0.910 333 K HN 0.307 nan 8.250 nan 0.000 0.452 345 H N 3.145 122.212 119.070 -0.005 0.000 2.732 345 H HA 0.453 5.008 4.556 -0.001 0.000 0.351 345 H C -0.419 174.903 175.328 -0.011 0.000 1.090 345 H CA 0.284 56.327 56.048 -0.008 0.000 1.431 345 H CB 1.403 31.158 29.762 -0.013 0.000 1.447 345 H HN 0.811 nan 8.280 nan 0.000 0.582 346 Q N 6.577 125.865 119.800 -0.853 0.000 2.353 346 Q HA 0.314 4.653 4.340 -0.001 0.000 0.268 346 Q C -0.545 174.939 176.000 -0.860 0.000 1.045 346 Q CA -1.058 54.363 55.803 -0.637 0.000 0.811 346 Q CB 1.707 30.291 28.738 -0.256 0.000 1.305 346 Q HN 0.724 nan 8.270 nan 0.000 0.447 347 I N 0.270 120.590 120.570 -0.417 0.000 2.638 347 I HA 0.298 4.467 4.170 -0.001 0.000 0.286 347 I C -0.081 175.997 176.117 -0.065 0.000 1.088 347 I CA -0.671 60.545 61.300 -0.140 0.000 1.397 347 I CB 0.775 38.735 38.000 -0.066 0.000 1.414 347 I HN 0.419 nan 8.210 nan 0.000 0.566 348 T N 4.919 119.465 114.554 -0.014 0.000 2.853 348 T HA 0.366 4.716 4.350 -0.001 0.000 0.298 348 T C 0.431 175.158 174.700 0.045 0.000 0.978 348 T CA -0.310 61.794 62.100 0.007 0.000 1.152 348 T CB 0.695 69.569 68.868 0.009 0.000 0.914 348 T HN 0.779 nan 8.240 nan 0.000 0.539 349 A N 3.824 126.684 122.820 0.066 0.000 2.302 349 A HA 0.610 4.929 4.320 -0.001 0.000 0.285 349 A C 0.277 177.902 177.584 0.068 0.000 1.105 349 A CA -0.753 51.357 52.037 0.122 0.000 0.816 349 A CB 0.160 19.224 19.000 0.108 0.000 1.067 349 A HN 0.882 nan 8.150 nan 0.000 0.489 350 I N 2.230 122.852 120.570 0.087 0.000 2.416 350 I HA 0.186 4.355 4.170 -0.001 0.000 0.288 350 I C -1.931 174.199 176.117 0.023 0.000 1.051 350 I CA -1.611 59.658 61.300 -0.052 0.000 1.375 350 I CB 1.104 38.994 38.000 -0.184 0.000 1.407 350 I HN 0.442 nan 8.210 nan 0.000 0.516 351 P HA 0.004 nan 4.420 nan 0.000 0.266 351 P C -0.108 177.261 177.300 0.114 0.000 1.195 351 P CA -0.018 63.102 63.100 0.034 0.000 0.768 351 P CB 0.520 32.204 31.700 -0.028 0.000 0.838 352 D N 0.744 121.301 120.400 0.263 0.000 2.158 352 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 352 D C 1.618 178.081 176.300 0.271 0.000 0.995 352 D CA 1.755 55.955 54.000 0.332 0.000 0.846 352 D CB -0.803 40.206 40.800 0.349 0.000 0.941 352 D HN 0.691 nan 8.370 nan 0.000 0.456 353 H N -1.579 117.513 119.070 0.038 0.000 2.387 353 H HA -0.174 4.381 4.556 -0.001 0.000 0.299 353 H C 2.100 177.254 175.328 -0.290 0.000 1.099 353 H CA 1.153 57.020 56.048 -0.302 0.000 1.315 353 H CB -0.762 28.900 29.762 -0.167 0.000 1.380 353 H HN 0.197 nan 8.280 nan 0.000 0.513 354 Y N 1.925 121.856 120.300 -0.616 0.000 2.102 354 Y HA -0.330 4.219 4.550 -0.001 0.000 0.280 354 Y C 1.558 177.083 175.900 -0.624 0.000 1.178 354 Y CA 1.851 59.550 58.100 -0.670 0.000 1.146 354 Y CB -0.670 37.265 38.460 -0.875 0.000 0.968 354 Y HN 0.184 nan 8.280 nan 0.000 0.504 355 F N -0.291 119.345 119.950 -0.523 0.000 2.325 355 F HA -0.018 4.509 4.527 -0.001 0.000 0.299 355 F C 2.526 178.029 175.800 -0.496 0.000 1.090 355 F CA 0.797 58.367 58.000 -0.716 0.000 1.392 355 F CB -0.998 37.557 39.000 -0.741 0.000 1.053 355 F HN 0.161 nan 8.300 nan 0.000 0.521 356 A N 0.194 122.807 122.820 -0.346 0.000 1.898 356 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 356 A C 2.094 179.603 177.584 -0.125 0.000 1.181 356 A CA 1.394 53.170 52.037 -0.435 0.000 0.620 356 A CB -0.940 17.300 19.000 -1.267 0.000 0.819 356 A HN 0.325 nan 8.150 nan 0.000 0.442 357 L N 0.142 121.249 121.223 -0.194 0.000 1.961 357 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 357 L C 2.345 179.240 176.870 0.041 0.000 1.072 357 L CA 2.244 57.064 54.840 -0.035 0.000 0.749 357 L CB -0.738 41.267 42.059 -0.090 0.000 0.889 357 L HN 0.147 nan 8.230 nan 0.000 0.432 358 V N 0.257 120.101 119.914 -0.117 0.000 2.594 358 V HA -0.232 3.888 4.120 -0.001 0.000 0.253 358 V C 2.716 178.987 176.094 0.295 0.000 1.069 358 V CA 1.538 63.883 62.300 0.076 0.000 1.082 358 V CB -1.331 30.372 31.823 -0.199 0.000 0.680 358 V HN 0.754 nan 8.190 nan 0.000 0.469 359 S N -0.031 115.840 115.700 0.285 0.000 2.474 359 S HA -0.181 4.288 4.470 -0.001 0.000 0.235 359 S C 1.287 175.931 174.600 0.075 0.000 0.997 359 S CA 0.847 59.297 58.200 0.416 0.000 0.949 359 S CB -0.348 63.194 63.200 0.571 0.000 0.766 359 S HN 0.650 nan 8.310 nan 0.000 0.517 360 R N -1.761 118.749 120.500 0.018 0.000 3.963 360 R HA -0.214 4.125 4.340 -0.001 0.000 0.394 360 R C 0.133 176.333 176.300 -0.166 0.000 1.131 360 R CA 1.397 57.397 56.100 -0.167 0.000 1.059 360 R CB -2.569 27.443 30.300 -0.481 0.000 1.614 360 R HN 0.589 nan 8.270 nan 0.000 0.546 361 Y N -1.176 119.189 120.300 0.108 0.000 2.397 361 Y HA 0.119 4.668 4.550 -0.001 0.000 0.292 361 Y C 1.046 176.885 175.900 -0.101 0.000 1.115 361 Y CA 0.705 58.813 58.100 0.013 0.000 1.208 361 Y CB 0.334 38.830 38.460 0.060 0.000 1.046 361 Y HN 0.029 nan 8.280 nan 0.000 0.552 362 Y N -0.867 119.536 120.300 0.172 0.000 2.650 362 Y HA 0.711 5.261 4.550 -0.001 0.000 0.331 362 Y C -0.132 175.823 175.900 0.092 0.000 1.082 362 Y CA -2.073 56.099 58.100 0.119 0.000 1.171 362 Y CB 1.040 39.549 38.460 0.082 0.000 1.326 362 Y HN -0.249 nan 8.280 nan 0.000 0.513 363 A N 0.294 123.281 122.820 0.280 0.000 2.414 363 A HA 0.551 4.870 4.320 -0.001 0.000 0.306 363 A C -2.209 175.516 177.584 0.236 0.000 1.054 363 A CA -0.671 51.494 52.037 0.213 0.000 0.724 363 A CB 0.671 19.756 19.000 0.142 0.000 1.267 363 A HN 0.631 nan 8.150 nan 0.000 0.418 364 Y N 1.785 122.135 120.300 0.084 0.000 2.393 364 Y HA 0.429 4.978 4.550 -0.001 0.000 0.338 364 Y C -0.234 175.694 175.900 0.046 0.000 1.029 364 Y CA -0.585 57.548 58.100 0.055 0.000 1.239 364 Y CB 0.796 39.277 38.460 0.034 0.000 1.170 364 Y HN 0.671 nan 8.280 nan 0.000 0.515 365 D N 8.710 128.895 120.400 -0.358 0.000 2.359 365 D HA 0.290 4.930 4.640 -0.001 0.000 0.230 365 D C -2.128 173.774 176.300 -0.664 0.000 1.118 365 D CA -2.538 51.245 54.000 -0.360 0.000 0.844 365 D CB 1.854 42.555 40.800 -0.165 0.000 1.059 365 D HN 0.319 nan 8.370 nan 0.000 0.493 366 P HA -0.141 nan 4.420 nan 0.000 0.211 366 P C 1.633 178.786 177.300 -0.245 0.000 1.179 366 P CA 0.377 63.230 63.100 -0.412 0.000 0.910 366 P CB 0.111 31.704 31.700 -0.179 0.000 0.785 367 I N 0.264 120.742 120.570 -0.154 0.000 2.091 367 I HA -0.336 3.833 4.170 -0.001 0.000 0.240 367 I C 1.986 178.051 176.117 -0.086 0.000 1.046 367 I CA 2.685 63.930 61.300 -0.092 0.000 1.306 367 I CB -1.054 36.907 38.000 -0.065 0.000 1.018 367 I HN -0.009 nan 8.210 nan 0.000 0.404 368 S N -1.006 114.634 115.700 -0.101 0.000 2.478 368 S HA 0.033 4.503 4.470 -0.001 0.000 0.222 368 S C 1.135 175.691 174.600 -0.073 0.000 1.008 368 S CA 0.429 58.589 58.200 -0.068 0.000 0.928 368 S CB -0.268 62.904 63.200 -0.047 0.000 0.781 368 S HN 0.544 nan 8.310 nan 0.000 0.518 369 K N 0.410 120.715 120.400 -0.159 0.000 3.251 369 K HA -0.095 4.224 4.320 -0.001 0.000 0.282 369 K C -0.884 175.730 176.600 0.025 0.000 1.201 369 K CA 0.821 57.048 56.287 -0.100 0.000 0.827 369 K CB -1.210 31.314 32.500 0.038 0.000 1.286 369 K HN 0.477 nan 8.250 nan 0.000 0.503 370 E N 0.134 120.319 120.200 -0.025 0.000 2.263 370 E HA 0.390 4.740 4.350 -0.001 0.000 0.264 370 E C 0.100 176.765 176.600 0.109 0.000 0.923 370 E CA -0.828 55.610 56.400 0.064 0.000 0.802 370 E CB 1.052 30.783 29.700 0.051 0.000 1.228 370 E HN 0.006 nan 8.360 nan 0.000 0.417 371 M N 1.888 121.587 119.600 0.165 0.000 2.180 371 M HA 0.399 4.878 4.480 -0.001 0.000 0.358 371 M C 0.020 176.493 176.300 0.288 0.000 1.233 371 M CA -0.235 55.183 55.300 0.196 0.000 1.114 371 M CB -0.061 32.545 32.600 0.009 0.000 1.594 371 M HN 0.344 nan 8.290 nan 0.000 0.467 372 I N 2.485 123.224 120.570 0.281 0.000 2.362 372 I HA 0.416 4.586 4.170 -0.001 0.000 0.289 372 I C 0.570 176.830 176.117 0.238 0.000 0.994 372 I CA -0.808 60.635 61.300 0.239 0.000 1.158 372 I CB 1.656 39.730 38.000 0.124 0.000 1.315 372 I HN 0.749 nan 8.210 nan 0.000 0.451 373 A N 7.448 130.359 122.820 0.152 0.000 2.429 373 A HA 0.498 4.818 4.320 -0.001 0.000 0.242 373 A C -0.172 177.365 177.584 -0.079 0.000 1.088 373 A CA -0.067 51.845 52.037 -0.209 0.000 0.784 373 A CB 0.304 19.159 19.000 -0.242 0.000 1.038 373 A HN 0.701 nan 8.150 nan 0.000 0.501 374 L N 1.103 122.263 121.223 -0.105 0.000 2.325 374 L HA 0.275 4.615 4.340 -0.001 0.000 0.279 374 L C 1.733 178.590 176.870 -0.022 0.000 1.054 374 L CA -0.574 54.248 54.840 -0.031 0.000 0.804 374 L CB 1.515 43.562 42.059 -0.020 0.000 1.200 374 L HN 1.098 nan 8.230 nan 0.000 0.436 375 K N 0.215 120.613 120.400 -0.004 0.000 2.228 375 K HA -0.215 4.105 4.320 -0.001 0.000 0.205 375 K C 0.421 177.024 176.600 0.005 0.000 1.045 375 K CA 1.143 57.431 56.287 0.002 0.000 0.931 375 K CB -0.183 32.321 32.500 0.007 0.000 0.727 375 K HN 0.541 nan 8.250 nan 0.000 0.458 376 D N 2.176 122.580 120.400 0.006 0.000 2.752 376 D HA -0.106 4.534 4.640 -0.001 0.000 0.225 376 D C 0.570 176.884 176.300 0.024 0.000 1.104 376 D CA 0.351 54.361 54.000 0.017 0.000 0.832 376 D CB 0.597 41.410 40.800 0.023 0.000 1.161 376 D HN 0.188 nan 8.370 nan 0.000 0.505 377 E N 2.016 122.230 120.200 0.024 0.000 1.977 377 E HA -0.212 4.138 4.350 -0.001 0.000 0.232 377 E C 0.403 177.018 176.600 0.024 0.000 0.912 377 E CA 1.122 57.536 56.400 0.023 0.000 0.875 377 E CB -1.216 28.499 29.700 0.024 0.000 0.826 377 E HN 0.531 nan 8.360 nan 0.000 0.580 378 T N 3.047 117.619 114.554 0.031 0.000 2.738 378 T HA -0.046 4.304 4.350 -0.001 0.000 0.277 378 T C 0.572 175.286 174.700 0.024 0.000 0.981 378 T CA 0.137 62.250 62.100 0.023 0.000 1.211 378 T CB -0.372 68.515 68.868 0.032 0.000 0.932 378 T HN 0.211 nan 8.240 nan 0.000 0.522 379 N N 5.242 123.929 118.700 -0.021 0.000 2.518 379 N HA 0.131 4.871 4.740 -0.001 0.000 0.283 379 N C -1.285 174.163 175.510 -0.103 0.000 1.119 379 N CA -2.213 50.800 53.050 -0.062 0.000 0.983 379 N CB 1.805 40.265 38.487 -0.045 0.000 1.139 379 N HN 0.205 nan 8.380 nan 0.000 0.465 380 P HA -0.106 nan 4.420 nan 0.000 0.217 380 P C 1.607 178.911 177.300 0.006 0.000 1.150 380 P CA 1.156 64.124 63.100 -0.221 0.000 0.832 380 P CB 0.329 31.666 31.700 -0.605 0.000 0.787 381 I N -0.043 120.552 120.570 0.041 0.000 2.264 381 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 381 I C 2.739 178.939 176.117 0.139 0.000 1.111 381 I CA 1.515 62.903 61.300 0.146 0.000 1.382 381 I CB -0.815 37.259 38.000 0.124 0.000 1.060 381 I HN 0.020 nan 8.210 nan 0.000 0.418 382 E N 1.274 121.485 120.200 0.018 0.000 2.007 382 E HA -0.288 4.061 4.350 -0.001 0.000 0.194 382 E C 2.156 178.644 176.600 -0.187 0.000 0.999 382 E CA 1.580 57.920 56.400 -0.099 0.000 0.811 382 E CB -0.058 29.546 29.700 -0.160 0.000 0.762 382 E HN 0.397 nan 8.360 nan 0.000 0.450 383 E N 0.339 120.455 120.200 -0.139 0.000 2.130 383 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 383 E C 1.863 178.552 176.600 0.148 0.000 0.998 383 E CA 1.416 57.778 56.400 -0.064 0.000 0.806 383 E CB -0.421 29.310 29.700 0.051 0.000 0.738 383 E HN 0.580 nan 8.360 nan 0.000 0.459 384 W N 1.282 122.619 121.300 0.062 0.000 2.321 384 W HA -0.306 4.353 4.660 -0.001 0.000 0.306 384 W C 1.758 178.352 176.519 0.124 0.000 1.217 384 W CA 1.639 59.065 57.345 0.135 0.000 1.257 384 W CB -0.135 29.381 29.460 0.093 0.000 1.145 384 W HN 0.196 nan 8.180 nan 0.000 0.509 385 Q N -0.571 119.073 119.800 -0.261 0.000 2.046 385 Q HA -0.242 4.097 4.340 -0.001 0.000 0.200 385 Q C 2.066 177.988 176.000 -0.131 0.000 0.975 385 Q CA 1.935 57.521 55.803 -0.362 0.000 0.836 385 Q CB -0.936 27.729 28.738 -0.122 0.000 0.896 385 Q HN 0.569 nan 8.270 nan 0.000 0.428 386 H N 0.018 119.016 119.070 -0.120 0.000 2.457 386 H HA -0.099 4.456 4.556 -0.001 0.000 0.297 386 H C 1.981 177.262 175.328 -0.079 0.000 1.092 386 H CA 0.781 56.785 56.048 -0.075 0.000 1.309 386 H CB 0.113 29.863 29.762 -0.021 0.000 1.382 386 H HN 0.239 nan 8.280 nan 0.000 0.535 387 I N 0.287 120.889 120.570 0.053 0.000 2.339 387 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 387 I C 2.574 178.642 176.117 -0.081 0.000 1.096 387 I CA 0.747 62.079 61.300 0.054 0.000 1.408 387 I CB -0.177 37.970 38.000 0.245 0.000 1.092 387 I HN 0.254 nan 8.210 nan 0.000 0.423 388 E N 0.898 120.850 120.200 -0.412 0.000 2.209 388 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 388 E C 1.967 178.434 176.600 -0.222 0.000 0.993 388 E CA 1.042 57.146 56.400 -0.493 0.000 0.819 388 E CB 0.201 29.308 29.700 -0.987 0.000 0.745 388 E HN 0.391 nan 8.360 nan 0.000 0.477 389 Q N 0.670 120.364 119.800 -0.176 0.000 1.723 389 Q HA -0.133 4.207 4.340 -0.001 0.000 0.363 389 Q C 0.828 176.793 176.000 -0.059 0.000 0.987 389 Q CA 0.494 56.235 55.803 -0.103 0.000 0.896 389 Q CB -1.108 27.577 28.738 -0.089 0.000 0.941 389 Q HN 0.319 nan 8.270 nan 0.000 0.410 390 L N 2.293 123.490 121.223 -0.043 0.000 2.706 390 L HA -0.153 4.187 4.340 -0.001 0.000 0.282 390 L C -0.103 176.764 176.870 -0.005 0.000 1.219 390 L CA 1.282 56.108 54.840 -0.023 0.000 0.935 390 L CB -0.062 41.987 42.059 -0.016 0.000 1.204 390 L HN 0.155 nan 8.230 nan 0.000 0.491 391 K N 3.578 123.976 120.400 -0.003 0.000 2.238 391 K HA 0.714 5.033 4.320 -0.001 0.000 0.239 391 K C 0.556 177.164 176.600 0.013 0.000 0.987 391 K CA -0.476 55.817 56.287 0.011 0.000 0.857 391 K CB 1.405 33.909 32.500 0.007 0.000 1.154 391 K HN 0.758 nan 8.250 nan 0.000 0.439 392 G N 0.638 109.451 108.800 0.022 0.000 2.212 392 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.255 392 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.255 392 G C -0.075 174.835 174.900 0.016 0.000 1.062 392 G CA 0.401 45.511 45.100 0.018 0.000 0.815 392 G HN 0.394 nan 8.290 nan 0.000 0.497 393 S N 0.044 115.759 115.700 0.026 0.000 3.940 393 S HA 0.595 5.064 4.470 -0.001 0.000 0.210 393 S C 1.763 176.372 174.600 0.016 0.000 1.419 393 S CA 0.762 58.974 58.200 0.018 0.000 0.912 393 S CB -0.136 63.081 63.200 0.028 0.000 1.489 393 S HN 1.576 nan 8.310 nan 0.000 0.469 394 A N 2.980 125.804 122.820 0.006 0.000 2.259 394 A HA -0.000 4.319 4.320 -0.001 0.000 0.212 394 A C 1.957 179.530 177.584 -0.018 0.000 1.178 394 A CA 0.615 52.653 52.037 0.002 0.000 0.734 394 A CB -0.234 18.766 19.000 -0.001 0.000 0.774 394 A HN 0.751 nan 8.150 nan 0.000 0.481 395 E N 0.096 120.277 120.200 -0.030 0.000 2.085 395 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 395 E C 2.138 178.671 176.600 -0.111 0.000 0.994 395 E CA 1.223 57.583 56.400 -0.067 0.000 0.801 395 E CB -0.965 28.695 29.700 -0.065 0.000 0.743 395 E HN 0.578 nan 8.360 nan 0.000 0.453 396 G N 1.141 109.896 108.800 -0.075 0.000 2.505 396 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.220 396 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.220 396 G C 1.766 176.609 174.900 -0.096 0.000 1.145 396 G CA 1.411 46.457 45.100 -0.090 0.000 0.761 396 G HN 0.394 nan 8.290 nan 0.000 0.571 397 S N -0.168 115.515 115.700 -0.029 0.000 2.419 397 S HA 0.013 4.483 4.470 -0.001 0.000 0.233 397 S C 2.353 176.924 174.600 -0.048 0.000 1.016 397 S CA 0.886 59.082 58.200 -0.007 0.000 0.974 397 S CB -0.233 62.969 63.200 0.003 0.000 0.786 397 S HN 0.412 nan 8.310 nan 0.000 0.492 398 I N 1.632 122.146 120.570 -0.095 0.000 2.333 398 I HA -0.105 4.064 4.170 -0.001 0.000 0.246 398 I C 2.527 178.556 176.117 -0.146 0.000 1.106 398 I CA 1.185 62.425 61.300 -0.101 0.000 1.411 398 I CB -0.279 37.665 38.000 -0.093 0.000 1.082 398 I HN 0.387 nan 8.210 nan 0.000 0.420 399 R N 0.462 120.786 120.500 -0.293 0.000 2.299 399 R HA -0.054 4.285 4.340 -0.001 0.000 0.197 399 R C 0.267 176.394 176.300 -0.288 0.000 0.971 399 R CA 0.788 56.663 56.100 -0.374 0.000 1.030 399 R CB -0.261 29.698 30.300 -0.568 0.000 0.932 399 R HN 0.366 nan 8.270 nan 0.000 0.477 400 Y N 1.087 121.381 120.300 -0.010 0.000 2.578 400 Y HA 0.324 4.873 4.550 -0.001 0.000 0.317 400 Y C -1.546 174.379 175.900 0.042 0.000 0.940 400 Y CA -2.711 55.406 58.100 0.028 0.000 1.174 400 Y CB 0.977 39.441 38.460 0.007 0.000 1.198 400 Y HN -0.001 nan 8.280 nan 0.000 0.597 401 P HA -0.346 nan 4.420 nan 0.000 0.216 401 P C 1.539 178.806 177.300 -0.055 0.000 1.167 401 P CA 2.345 65.452 63.100 0.012 0.000 0.914 401 P CB 0.254 31.940 31.700 -0.023 0.000 0.793 402 A N -2.000 120.742 122.820 -0.130 0.000 2.178 402 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 402 A C 1.453 178.610 177.584 -0.712 0.000 1.157 402 A CA 0.942 52.730 52.037 -0.415 0.000 0.689 402 A CB -1.589 17.098 19.000 -0.522 0.000 0.787 402 A HN 0.329 nan 8.150 nan 0.000 0.465 403 W N -1.039 120.164 121.300 -0.162 0.000 3.005 403 W HA 0.315 4.974 4.660 -0.001 0.000 0.374 403 W C 0.362 176.793 176.519 -0.146 0.000 1.076 403 W CA -0.823 56.395 57.345 -0.211 0.000 1.794 403 W CB -0.134 29.152 29.460 -0.289 0.000 1.113 403 W HN 0.184 nan 8.180 nan 0.000 0.584 404 N N 0.793 119.502 118.700 0.015 0.000 2.452 404 N HA 0.352 5.092 4.740 -0.001 0.000 0.266 404 N C 1.159 176.656 175.510 -0.023 0.000 1.175 404 N CA 1.919 54.978 53.050 0.015 0.000 0.945 404 N CB 0.724 39.210 38.487 -0.002 0.000 1.063 404 N HN 0.255 nan 8.380 nan 0.000 0.472 405 G N 3.027 111.830 108.800 0.005 0.000 2.241 405 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 405 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 405 G C 0.720 175.622 174.900 0.004 0.000 0.998 405 G CA 0.390 45.491 45.100 0.002 0.000 0.621 405 G HN 0.497 nan 8.290 nan 0.000 0.519 406 I N 0.486 121.047 120.570 -0.014 0.000 2.947 406 I HA 0.370 4.539 4.170 -0.001 0.000 0.263 406 I C 1.478 177.627 176.117 0.052 0.000 1.130 406 I CA 0.522 61.817 61.300 -0.008 0.000 1.448 406 I CB -0.448 37.480 38.000 -0.120 0.000 1.222 406 I HN 0.132 nan 8.210 nan 0.000 0.453 407 I N 2.173 122.769 120.570 0.044 0.000 2.353 407 I HA 0.088 4.258 4.170 -0.001 0.000 0.293 407 I C 0.731 176.873 176.117 0.042 0.000 0.992 407 I CA -0.470 60.834 61.300 0.008 0.000 1.268 407 I CB 1.383 39.277 38.000 -0.176 0.000 1.387 407 I HN 0.142 nan 8.210 nan 0.000 0.478 408 S N 4.186 119.931 115.700 0.074 0.000 2.599 408 S HA -0.144 4.325 4.470 -0.001 0.000 0.303 408 S C 0.838 175.485 174.600 0.079 0.000 1.267 408 S CA -0.274 57.973 58.200 0.079 0.000 1.055 408 S CB 0.920 64.174 63.200 0.091 0.000 0.790 408 S HN 0.720 nan 8.310 nan 0.000 0.500 409 Q N 1.533 121.379 119.800 0.076 0.000 2.181 409 Q HA -0.173 4.166 4.340 -0.001 0.000 0.205 409 Q C 2.003 178.067 176.000 0.106 0.000 0.980 409 Q CA 2.230 58.083 55.803 0.084 0.000 0.862 409 Q CB -0.320 28.458 28.738 0.067 0.000 0.905 409 Q HN 0.962 nan 8.270 nan 0.000 0.429 410 E N -1.240 119.024 120.200 0.106 0.000 2.058 410 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 410 E C 1.715 178.422 176.600 0.179 0.000 0.997 410 E CA 1.659 58.138 56.400 0.130 0.000 0.801 410 E CB 0.046 29.810 29.700 0.106 0.000 0.746 410 E HN 0.294 nan 8.360 nan 0.000 0.450 411 V N 1.415 121.425 119.914 0.161 0.000 2.270 411 V HA -0.272 3.848 4.120 -0.001 0.000 0.245 411 V C 2.498 178.731 176.094 0.232 0.000 1.043 411 V CA 1.702 64.124 62.300 0.204 0.000 1.014 411 V CB -0.572 31.344 31.823 0.156 0.000 0.645 411 V HN 0.340 nan 8.190 nan 0.000 0.447 412 L N -0.104 121.221 121.223 0.169 0.000 2.187 412 L HA -0.192 4.147 4.340 -0.001 0.000 0.213 412 L C 2.189 179.227 176.870 0.280 0.000 1.100 412 L CA 1.399 56.399 54.840 0.267 0.000 0.765 412 L CB -0.773 41.459 42.059 0.288 0.000 0.904 412 L HN 0.338 nan 8.230 nan 0.000 0.437 413 D N -1.113 119.412 120.400 0.210 0.000 2.194 413 D HA -0.163 4.477 4.640 -0.001 0.000 0.204 413 D C 1.863 178.293 176.300 0.216 0.000 0.964 413 D CA 0.863 54.964 54.000 0.169 0.000 0.846 413 D CB 0.060 40.946 40.800 0.143 0.000 0.962 413 D HN 0.342 nan 8.370 nan 0.000 0.490 414 Y N 1.218 121.620 120.300 0.170 0.000 2.153 414 Y HA -0.112 4.437 4.550 -0.001 0.000 0.289 414 Y C 2.098 178.136 175.900 0.229 0.000 1.127 414 Y CA 0.947 59.172 58.100 0.209 0.000 1.131 414 Y CB -0.624 37.959 38.460 0.205 0.000 0.995 414 Y HN -0.106 nan 8.280 nan 0.000 0.505 415 L N -0.052 121.203 121.223 0.052 0.000 2.013 415 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 415 L C 2.737 179.657 176.870 0.083 0.000 1.073 415 L CA 2.323 57.152 54.840 -0.018 0.000 0.753 415 L CB -1.353 40.782 42.059 0.128 0.000 0.890 415 L HN 0.413 nan 8.230 nan 0.000 0.432 416 S N -1.486 114.308 115.700 0.157 0.000 2.365 416 S HA -0.229 4.240 4.470 -0.001 0.000 0.225 416 S C 2.119 176.724 174.600 0.009 0.000 1.039 416 S CA 1.855 60.080 58.200 0.042 0.000 1.033 416 S CB -0.398 62.781 63.200 -0.034 0.000 0.887 416 S HN 0.661 nan 8.310 nan 0.000 0.447 417 S N -0.371 115.337 115.700 0.014 0.000 2.383 417 S HA -0.035 4.434 4.470 -0.001 0.000 0.227 417 S C 1.503 176.101 174.600 -0.003 0.000 1.026 417 S CA 1.157 59.364 58.200 0.011 0.000 0.981 417 S CB -0.555 62.680 63.200 0.059 0.000 0.818 417 S HN 0.730 nan 8.310 nan 0.000 0.472 418 Y N 2.457 122.637 120.300 -0.200 0.000 2.114 418 Y HA -0.155 4.395 4.550 -0.001 0.000 0.284 418 Y C 1.982 177.839 175.900 -0.073 0.000 1.143 418 Y CA 1.433 59.428 58.100 -0.175 0.000 1.135 418 Y CB -0.361 37.889 38.460 -0.350 0.000 0.980 418 Y HN 0.109 nan 8.280 nan 0.000 0.499 419 I N 1.011 121.627 120.570 0.075 0.000 2.264 419 I HA -0.324 3.846 4.170 -0.001 0.000 0.248 419 I C 2.207 178.281 176.117 -0.072 0.000 1.111 419 I CA 1.586 62.895 61.300 0.015 0.000 1.382 419 I CB -1.374 36.686 38.000 0.101 0.000 1.060 419 I HN 0.464 nan 8.210 nan 0.000 0.418 420 N N 1.073 119.737 118.700 -0.060 0.000 2.416 420 N HA -0.127 4.613 4.740 -0.001 0.000 0.177 420 N C 1.674 177.138 175.510 -0.076 0.000 1.036 420 N CA 0.417 53.430 53.050 -0.062 0.000 0.901 420 N CB 0.090 38.547 38.487 -0.049 0.000 0.976 420 N HN 0.291 nan 8.380 nan 0.000 0.444 421 R N 0.725 121.163 120.500 -0.104 0.000 2.449 421 R HA 0.118 4.457 4.340 -0.001 0.000 0.262 421 R C -0.284 175.926 176.300 -0.150 0.000 1.006 421 R CA -0.124 55.916 56.100 -0.098 0.000 1.104 421 R CB 0.052 30.312 30.300 -0.067 0.000 1.206 421 R HN 0.009 nan 8.270 nan 0.000 0.538 422 R N 1.154 121.548 120.500 -0.177 0.000 2.422 422 R HA 0.362 4.701 4.340 -0.001 0.000 0.307 422 R C -1.126 175.114 176.300 -0.101 0.000 1.004 422 R CA -0.357 55.634 56.100 -0.182 0.000 0.882 422 R CB 0.617 30.723 30.300 -0.323 0.000 1.164 422 R HN 0.095 nan 8.270 nan 0.000 0.489 423 I N 0.000 120.531 120.570 -0.064 0.000 2.984 423 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 423 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 423 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 423 I HN 0.000 nan 8.210 nan 0.000 0.494