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 1fpg_1_B DATA FIRST_RESID 9 DATA SEQUENCE NIVTLTRFVM EQGRKARGTG EMTQLLNSLC TAVKAISTAV RKAGIAHLYG DATA SEQUENCE IAGXXXXXXX XXXKLDVLSN DLVINVLKSS FATCVLVTEE DKNAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSIGTIFGI YRKNSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMV NGVNCFMLDP AIGEFILVDR NVKIKKKGSI DATA SEQUENCE YSINEGYAKE FDPAITEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFMYPANK KSPKGKLRLL YECNPMAYVM EKAGGLATTG KEAVLDIVPT DATA SEQUENCE DIHQRAPIIL GSPEDVTELL EIYQKHA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.535 175.510 0.043 0.000 1.280 9 N CA 0.000 53.069 53.050 0.033 0.000 0.885 9 N CB 0.000 38.507 38.487 0.033 0.000 1.341 10 I N 1.309 121.906 120.570 0.045 0.000 2.882 10 I HA 0.104 nan 4.170 nan 0.000 0.286 10 I C -1.355 174.810 176.117 0.080 0.000 1.139 10 I CA -0.352 60.982 61.300 0.057 0.000 1.379 10 I CB 1.056 39.086 38.000 0.051 0.000 1.410 10 I HN -0.078 8.156 8.210 0.039 0.000 0.594 11 V N 4.836 124.814 119.914 0.107 0.000 2.482 11 V HA 0.292 nan 4.120 nan 0.000 0.295 11 V C -0.912 175.298 176.094 0.193 0.000 1.026 11 V CA -0.591 61.803 62.300 0.157 0.000 0.856 11 V CB 1.255 33.198 31.823 0.201 0.000 1.001 11 V HN 0.456 8.706 8.190 0.100 0.000 0.424 12 T N 3.305 117.959 114.554 0.166 0.000 2.881 12 T HA 0.591 nan 4.350 nan 0.000 0.278 12 T C 0.432 175.197 174.700 0.108 0.000 0.982 12 T CA -1.086 61.104 62.100 0.150 0.000 0.989 12 T CB 2.236 71.160 68.868 0.093 0.000 1.058 12 T HN -0.098 8.226 8.240 0.140 0.000 0.529 13 L N 0.828 122.011 121.223 -0.067 0.000 2.093 13 L HA -0.176 nan 4.340 nan 0.000 0.208 13 L C 1.148 177.934 176.870 -0.140 0.000 1.085 13 L CA 3.596 58.168 54.840 -0.446 0.000 0.755 13 L CB -0.130 41.486 42.059 -0.739 0.000 0.904 13 L HN 0.226 8.471 8.230 0.024 0.000 0.435 14 T N 0.824 115.353 114.554 -0.043 0.000 2.746 14 T HA -0.392 nan 4.350 nan 0.000 0.267 14 T C 2.130 176.849 174.700 0.032 0.000 1.039 14 T CA 4.895 66.990 62.100 -0.009 0.000 1.142 14 T CB -0.684 68.185 68.868 0.003 0.000 0.866 14 T HN 0.064 8.283 8.240 -0.016 0.011 0.444 15 R N 1.924 122.465 120.500 0.068 0.000 2.061 15 R HA -0.310 nan 4.340 nan 0.000 0.230 15 R C 1.489 177.862 176.300 0.121 0.000 1.140 15 R CA 3.256 59.406 56.100 0.083 0.000 0.940 15 R CB -0.125 30.234 30.300 0.099 0.000 0.839 15 R HN -0.574 7.739 8.270 0.072 0.000 0.429 16 F N -0.010 119.950 119.950 0.017 0.000 2.063 16 F HA -0.480 nan 4.527 nan 0.000 0.298 16 F C 1.857 177.659 175.800 0.002 0.000 1.109 16 F CA 3.831 61.857 58.000 0.043 0.000 1.212 16 F CB -0.093 38.984 39.000 0.129 0.000 0.973 16 F HN -0.267 8.212 8.300 0.298 0.000 0.480 17 V N -0.871 119.186 119.914 0.238 0.000 2.287 17 V HA -0.577 nan 4.120 nan 0.000 0.248 17 V C 1.812 177.881 176.094 -0.042 0.000 1.053 17 V CA 4.739 67.085 62.300 0.077 0.000 1.027 17 V CB -0.777 31.067 31.823 0.035 0.000 0.646 17 V HN 0.243 8.597 8.190 0.273 0.000 0.447 18 M N -0.499 119.087 119.600 -0.023 0.000 2.086 18 M HA -0.435 nan 4.480 nan 0.000 0.261 18 M C 1.610 177.875 176.300 -0.059 0.000 1.067 18 M CA 3.014 58.294 55.300 -0.034 0.000 1.116 18 M CB -0.369 32.223 32.600 -0.014 0.000 1.348 18 M HN -0.506 7.789 8.290 0.009 0.000 0.407 19 E N -0.855 119.300 120.200 -0.075 0.000 2.058 19 E HA -0.483 nan 4.350 nan 0.000 0.194 19 E C 2.242 178.754 176.600 -0.147 0.000 0.997 19 E CA 3.503 59.845 56.400 -0.097 0.000 0.801 19 E CB -0.170 29.472 29.700 -0.098 0.000 0.746 19 E HN 0.167 8.495 8.360 -0.053 0.000 0.450 20 Q N -2.028 117.625 119.800 -0.246 0.000 2.084 20 Q HA -0.246 nan 4.340 nan 0.000 0.202 20 Q C 3.033 178.959 176.000 -0.123 0.000 0.978 20 Q CA 2.461 58.117 55.803 -0.245 0.000 0.844 20 Q CB -0.410 28.109 28.738 -0.365 0.000 0.898 20 Q HN 0.221 8.309 8.270 -0.303 0.000 0.426 21 G N -1.725 107.020 108.800 -0.092 0.000 2.443 21 G HA2 -0.324 nan 3.960 nan 0.000 0.219 21 G HA3 -0.324 nan 3.960 nan 0.000 0.219 21 G C 1.027 175.906 174.900 -0.036 0.000 1.131 21 G CA 1.582 46.653 45.100 -0.048 0.000 0.775 21 G HN 0.475 8.626 8.290 -0.103 0.077 0.547 22 R N 1.263 121.736 120.500 -0.045 0.000 2.062 22 R HA -0.227 nan 4.340 nan 0.000 0.229 22 R C 3.010 179.291 176.300 -0.031 0.000 1.128 22 R CA 3.328 59.409 56.100 -0.031 0.000 0.960 22 R CB -0.171 30.111 30.300 -0.031 0.000 0.855 22 R HN -0.150 7.946 8.270 -0.061 0.138 0.432 23 K N 0.470 120.842 120.400 -0.045 0.000 2.103 23 K HA -0.305 nan 4.320 nan 0.000 0.207 23 K C 1.724 178.309 176.600 -0.025 0.000 1.048 23 K CA 2.956 59.221 56.287 -0.038 0.000 0.930 23 K CB -0.181 32.286 32.500 -0.054 0.000 0.716 23 K HN 0.052 8.264 8.250 -0.063 0.000 0.444 24 A N -4.288 118.517 122.820 -0.024 0.000 2.235 24 A HA -0.035 nan 4.320 nan 0.000 0.208 24 A C -0.417 177.170 177.584 0.004 0.000 1.172 24 A CA -0.144 51.889 52.037 -0.006 0.000 0.786 24 A CB -0.210 18.789 19.000 -0.001 0.000 0.804 24 A HN -0.423 7.695 8.150 -0.037 0.010 0.479 25 R N -4.211 116.287 120.500 -0.002 0.000 3.416 25 R HA -0.337 nan 4.340 nan 0.000 0.263 25 R C 0.145 176.454 176.300 0.013 0.000 1.053 25 R CA -0.048 56.054 56.100 0.004 0.000 0.705 25 R CB -2.337 27.966 30.300 0.005 0.000 1.124 25 R HN -0.109 7.942 8.270 -0.010 0.213 0.444 26 G N -1.594 107.215 108.800 0.016 0.000 2.537 26 G HA2 0.009 nan 3.960 nan 0.000 0.273 26 G HA3 0.009 nan 3.960 nan 0.000 0.273 26 G C 0.546 175.463 174.900 0.029 0.000 1.189 26 G CA -0.284 44.836 45.100 0.033 0.000 0.881 26 G HN -0.439 7.855 8.290 0.007 0.000 0.535 27 T N -3.855 110.724 114.554 0.041 0.000 3.160 27 T HA 0.001 nan 4.350 nan 0.000 0.257 27 T C 1.289 176.008 174.700 0.031 0.000 1.147 27 T CA 0.077 62.196 62.100 0.032 0.000 1.064 27 T CB -0.526 68.364 68.868 0.037 0.000 0.949 27 T HN 0.324 8.598 8.240 0.056 0.000 0.526 28 G N 1.493 110.313 108.800 0.034 0.000 2.141 28 G HA2 -0.346 nan 3.960 nan 0.000 0.242 28 G HA3 -0.346 nan 3.960 nan 0.000 0.242 28 G C 0.374 175.297 174.900 0.039 0.000 0.982 28 G CA 0.049 45.162 45.100 0.022 0.000 0.662 28 G HN -0.123 8.106 8.290 0.039 0.085 0.527 29 E N 0.519 120.768 120.200 0.082 0.000 2.072 29 E HA -0.270 nan 4.350 nan 0.000 0.190 29 E C 0.878 177.531 176.600 0.090 0.000 0.982 29 E CA 2.511 58.989 56.400 0.130 0.000 0.803 29 E CB -0.042 29.787 29.700 0.216 0.000 0.755 29 E HN -0.282 8.095 8.360 0.094 0.039 0.453 30 M N -1.179 118.447 119.600 0.043 0.000 2.132 30 M HA -0.242 nan 4.480 nan 0.000 0.263 30 M C 1.170 177.383 176.300 -0.144 0.000 1.065 30 M CA 4.103 59.282 55.300 -0.203 0.000 1.122 30 M CB -0.608 31.860 32.600 -0.221 0.000 1.365 30 M HN 0.223 8.582 8.290 0.115 0.000 0.411 31 T N 0.913 115.427 114.554 -0.068 0.000 2.665 31 T HA -0.439 nan 4.350 nan 0.000 0.268 31 T C 2.445 177.108 174.700 -0.063 0.000 1.035 31 T CA 4.676 66.740 62.100 -0.059 0.000 1.151 31 T CB -1.011 67.837 68.868 -0.033 0.000 0.862 31 T HN 0.068 8.288 8.240 -0.034 0.000 0.438 32 Q N 0.320 120.096 119.800 -0.039 0.000 2.084 32 Q HA -0.293 nan 4.340 nan 0.000 0.202 32 Q C 2.304 178.267 176.000 -0.062 0.000 0.978 32 Q CA 2.947 58.732 55.803 -0.030 0.000 0.844 32 Q CB -0.555 28.190 28.738 0.013 0.000 0.898 32 Q HN -0.546 7.712 8.270 -0.020 0.000 0.426 33 L N 0.763 121.932 121.223 -0.091 0.000 2.012 33 L HA -0.295 nan 4.340 nan 0.000 0.210 33 L C 1.873 178.626 176.870 -0.195 0.000 1.073 33 L CA 3.125 57.877 54.840 -0.147 0.000 0.748 33 L CB -0.351 41.572 42.059 -0.227 0.000 0.891 33 L HN -0.530 7.581 8.230 -0.081 0.070 0.431 34 L N -3.448 117.658 121.223 -0.195 0.000 2.201 34 L HA -0.460 nan 4.340 nan 0.000 0.212 34 L C 2.307 179.063 176.870 -0.190 0.000 1.105 34 L CA 3.102 57.814 54.840 -0.213 0.000 0.775 34 L CB -1.071 40.889 42.059 -0.164 0.000 0.913 34 L HN 0.341 8.465 8.230 -0.177 0.000 0.440 35 N N -0.207 118.412 118.700 -0.135 0.000 2.300 35 N HA -0.207 nan 4.740 nan 0.000 0.179 35 N C 2.453 177.900 175.510 -0.105 0.000 1.016 35 N CA 3.153 56.140 53.050 -0.104 0.000 0.876 35 N CB 0.135 38.583 38.487 -0.065 0.000 0.979 35 N HN -0.146 8.015 8.380 -0.118 0.149 0.432 36 S N 1.859 117.489 115.700 -0.116 0.000 2.368 36 S HA -0.249 nan 4.470 nan 0.000 0.224 36 S C 1.789 176.289 174.600 -0.166 0.000 1.029 36 S CA 3.968 62.098 58.200 -0.117 0.000 0.988 36 S CB 0.005 63.138 63.200 -0.111 0.000 0.838 36 S HN 0.053 8.207 8.310 -0.116 0.086 0.462 37 L N 1.273 122.347 121.223 -0.248 0.000 1.989 37 L HA -0.269 nan 4.340 nan 0.000 0.211 37 L C 1.592 178.314 176.870 -0.248 0.000 1.071 37 L CA 2.806 57.438 54.840 -0.347 0.000 0.749 37 L CB -1.070 40.644 42.059 -0.574 0.000 0.890 37 L HN -0.109 7.969 8.230 -0.254 0.000 0.431 38 C N -1.431 117.737 119.300 -0.219 0.000 2.385 38 C HA -0.534 nan 4.460 nan 0.000 0.275 38 C C 1.868 176.877 174.990 0.032 0.000 1.207 38 C CA 4.186 63.139 59.018 -0.108 0.000 1.760 38 C CB -1.891 25.781 27.740 -0.113 0.000 2.051 38 C HN -0.429 7.650 8.230 -0.252 0.000 0.467 39 T N 1.632 116.175 114.554 -0.018 0.000 2.788 39 T HA -0.370 nan 4.350 nan 0.000 0.268 39 T C 1.956 176.652 174.700 -0.008 0.000 1.044 39 T CA 5.134 67.233 62.100 -0.002 0.000 1.139 39 T CB -0.485 68.366 68.868 -0.028 0.000 0.867 39 T HN -0.423 7.780 8.240 -0.061 0.000 0.454 40 A N 1.132 123.924 122.820 -0.048 0.000 1.898 40 A HA -0.161 nan 4.320 nan 0.000 0.216 40 A C 1.869 179.457 177.584 0.008 0.000 1.181 40 A CA 3.169 55.173 52.037 -0.055 0.000 0.620 40 A CB -0.799 18.123 19.000 -0.129 0.000 0.819 40 A HN -0.200 7.785 8.150 -0.084 0.114 0.442 41 V N -0.764 119.187 119.914 0.062 0.000 2.427 41 V HA -0.484 nan 4.120 nan 0.000 0.248 41 V C 2.230 178.462 176.094 0.229 0.000 1.051 41 V CA 4.534 66.957 62.300 0.205 0.000 1.048 41 V CB -1.004 30.960 31.823 0.235 0.000 0.666 41 V HN 0.173 8.372 8.190 0.014 0.000 0.456 42 K N -0.918 119.590 120.400 0.180 0.000 2.097 42 K HA -0.344 nan 4.320 nan 0.000 0.205 42 K C 1.952 178.553 176.600 0.002 0.000 1.050 42 K CA 3.696 60.028 56.287 0.074 0.000 0.938 42 K CB -0.300 32.217 32.500 0.028 0.000 0.718 42 K HN -0.231 8.129 8.250 0.184 0.000 0.442 43 A N -0.783 122.034 122.820 -0.004 0.000 1.969 43 A HA -0.160 nan 4.320 nan 0.000 0.218 43 A C 2.274 179.814 177.584 -0.073 0.000 1.169 43 A CA 2.922 54.936 52.037 -0.038 0.000 0.635 43 A CB -0.740 18.240 19.000 -0.034 0.000 0.810 43 A HN -0.467 7.691 8.150 0.014 0.000 0.445 44 I N -2.062 118.459 120.570 -0.082 0.000 2.406 44 I HA -0.451 nan 4.170 nan 0.000 0.249 44 I C 1.673 177.552 176.117 -0.396 0.000 1.122 44 I CA 3.615 64.804 61.300 -0.185 0.000 1.431 44 I CB -0.126 37.806 38.000 -0.114 0.000 1.087 44 I HN -0.245 7.842 8.210 -0.026 0.108 0.424 45 S N -0.052 115.427 115.700 -0.367 0.000 2.359 45 S HA -0.362 nan 4.470 nan 0.000 0.224 45 S C 1.918 176.383 174.600 -0.224 0.000 1.035 45 S CA 4.390 62.353 58.200 -0.395 0.000 1.018 45 S CB -0.323 62.854 63.200 -0.038 0.000 0.876 45 S HN 0.184 8.402 8.310 -0.153 0.000 0.448 46 T N 3.817 118.289 114.554 -0.137 0.000 2.684 46 T HA -0.353 nan 4.350 nan 0.000 0.267 46 T C 1.548 176.192 174.700 -0.093 0.000 1.036 46 T CA 4.896 66.940 62.100 -0.093 0.000 1.148 46 T CB -0.536 68.291 68.868 -0.068 0.000 0.863 46 T HN -0.485 7.685 8.240 -0.116 0.000 0.436 47 A N 0.162 122.916 122.820 -0.110 0.000 1.930 47 A HA -0.140 nan 4.320 nan 0.000 0.217 47 A C 2.612 180.137 177.584 -0.099 0.000 1.175 47 A CA 2.911 54.896 52.037 -0.087 0.000 0.627 47 A CB -0.812 18.138 19.000 -0.083 0.000 0.815 47 A HN -0.463 7.614 8.150 -0.123 0.000 0.443 48 V N -0.251 119.559 119.914 -0.173 0.000 2.307 48 V HA -0.338 nan 4.120 nan 0.000 0.245 48 V C 2.139 178.182 176.094 -0.085 0.000 1.045 48 V CA 3.368 65.571 62.300 -0.160 0.000 1.024 48 V CB -0.374 31.253 31.823 -0.327 0.000 0.651 48 V HN 0.268 8.233 8.190 -0.247 0.076 0.449 49 R N -2.066 118.384 120.500 -0.084 0.000 2.357 49 R HA -0.089 nan 4.340 nan 0.000 0.202 49 R C -0.589 175.696 176.300 -0.026 0.000 1.047 49 R CA -0.067 56.009 56.100 -0.040 0.000 1.034 49 R CB -0.127 30.152 30.300 -0.035 0.000 0.875 49 R HN 0.053 8.251 8.270 -0.120 0.000 0.473 50 K N -6.092 114.293 120.400 -0.025 0.000 3.218 50 K HA -0.417 nan 4.320 nan 0.000 0.276 50 K C -0.843 175.762 176.600 0.008 0.000 1.173 50 K CA 0.167 56.453 56.287 -0.002 0.000 0.812 50 K CB -3.206 29.297 32.500 0.005 0.000 1.275 50 K HN -0.514 7.495 8.250 -0.042 0.216 0.504 51 A N -0.824 121.995 122.820 -0.002 0.000 2.488 51 A HA 0.075 nan 4.320 nan 0.000 0.249 51 A C 0.900 178.506 177.584 0.036 0.000 1.083 51 A CA 1.648 53.691 52.037 0.010 0.000 0.768 51 A CB -0.360 18.636 19.000 -0.008 0.000 1.017 51 A HN -0.445 7.694 8.150 -0.018 0.000 0.496 52 G N 3.359 112.204 108.800 0.075 0.000 2.159 52 G HA2 -0.374 nan 3.960 nan 0.000 0.256 52 G HA3 -0.374 nan 3.960 nan 0.000 0.256 52 G C 0.872 175.883 174.900 0.184 0.000 0.977 52 G CA -0.007 45.184 45.100 0.151 0.000 0.652 52 G HN 0.377 8.708 8.290 0.069 0.000 0.531 53 I N 1.251 121.901 120.570 0.133 0.000 2.361 53 I HA -0.376 nan 4.170 nan 0.000 0.251 53 I C 0.002 176.267 176.117 0.247 0.000 1.133 53 I CA 2.537 63.943 61.300 0.178 0.000 1.413 53 I CB -0.315 37.764 38.000 0.133 0.000 1.073 53 I HN -0.625 7.586 8.210 0.090 0.053 0.424 54 A N -0.905 121.999 122.820 0.140 0.000 1.986 54 A HA -0.417 nan 4.320 nan 0.000 0.220 54 A C 1.882 179.480 177.584 0.023 0.000 1.171 54 A CA 2.987 55.067 52.037 0.071 0.000 0.640 54 A CB -1.107 17.870 19.000 -0.038 0.000 0.811 54 A HN 0.333 8.525 8.150 0.104 0.020 0.451 55 H N -1.963 117.159 119.070 0.087 0.000 2.389 55 H HA -0.215 nan 4.556 nan 0.000 0.299 55 H C 2.736 178.078 175.328 0.023 0.000 1.081 55 H CA 4.075 60.151 56.048 0.046 0.000 1.345 55 H CB -0.102 29.674 29.762 0.023 0.000 1.393 55 H HN -0.534 7.739 8.280 0.235 0.148 0.520 56 L N -0.919 120.376 121.223 0.120 0.000 2.201 56 L HA -0.303 nan 4.340 nan 0.000 0.212 56 L C 1.128 177.838 176.870 -0.267 0.000 1.105 56 L CA 2.444 57.239 54.840 -0.075 0.000 0.775 56 L CB -0.041 41.942 42.059 -0.126 0.000 0.913 56 L HN -0.178 8.055 8.230 0.194 0.114 0.440 57 Y N -3.665 116.631 120.300 -0.005 0.000 2.676 57 Y HA 0.012 nan 4.550 nan 0.000 0.331 57 Y C 0.666 176.544 175.900 -0.037 0.000 1.128 57 Y CA -0.658 57.430 58.100 -0.021 0.000 1.360 57 Y CB -1.375 37.071 38.460 -0.023 0.000 1.176 57 Y HN -0.670 7.652 8.280 0.272 0.121 0.518 58 G N -0.089 108.713 108.800 0.002 0.000 2.295 58 G HA2 -0.336 nan 3.960 nan 0.000 0.287 58 G HA3 -0.336 nan 3.960 nan 0.000 0.287 58 G C 0.327 175.210 174.900 -0.029 0.000 1.055 58 G CA 0.293 45.386 45.100 -0.012 0.000 0.922 58 G HN -0.476 7.705 8.290 -0.028 0.092 0.503 59 I N 1.129 121.645 120.570 -0.090 0.000 2.571 59 I HA -0.056 nan 4.170 nan 0.000 0.282 59 I C -1.273 174.775 176.117 -0.116 0.000 1.085 59 I CA -1.868 59.357 61.300 -0.126 0.000 1.677 59 I CB -1.213 36.653 38.000 -0.224 0.000 1.460 59 I HN -0.683 7.453 8.210 -0.124 0.000 0.693 60 A N 2.874 125.665 122.820 -0.048 0.000 2.667 60 A HA -0.203 nan 4.320 nan 0.000 0.225 60 A C -0.342 177.250 177.584 0.013 0.000 1.190 60 A CA 1.126 53.157 52.037 -0.010 0.000 0.961 60 A CB 0.184 19.181 19.000 -0.004 0.000 1.011 60 A HN -0.391 7.675 8.150 -0.037 0.063 0.503 73 L N 1.826 123.056 121.223 0.010 0.000 2.313 73 L HA -0.013 nan 4.340 nan 0.000 0.214 73 L C -0.117 176.762 176.870 0.015 0.000 1.119 73 L CA 2.041 56.885 54.840 0.007 0.000 0.809 73 L CB -0.314 41.749 42.059 0.006 0.000 0.933 73 L HN -0.138 8.101 8.230 0.014 0.000 0.449 74 D N -2.927 117.487 120.400 0.023 0.000 2.367 74 D HA -0.063 nan 4.640 nan 0.000 0.207 74 D C 1.875 178.194 176.300 0.032 0.000 1.034 74 D CA 1.843 55.864 54.000 0.035 0.000 0.861 74 D CB -1.198 39.626 40.800 0.039 0.000 0.943 74 D HN 0.116 8.499 8.370 0.022 0.000 0.515 75 V N 1.314 121.241 119.914 0.021 0.000 2.407 75 V HA -0.157 nan 4.120 nan 0.000 0.245 75 V C 1.838 177.943 176.094 0.019 0.000 1.041 75 V CA 3.113 65.424 62.300 0.018 0.000 1.040 75 V CB -0.509 31.320 31.823 0.010 0.000 0.671 75 V HN -0.392 7.807 8.190 0.016 0.000 0.455 76 L N -1.034 120.196 121.223 0.011 0.000 2.017 76 L HA -0.357 nan 4.340 nan 0.000 0.208 76 L C 1.567 178.441 176.870 0.007 0.000 1.073 76 L CA 3.565 58.407 54.840 0.003 0.000 0.745 76 L CB -0.347 41.707 42.059 -0.008 0.000 0.894 76 L HN -0.189 8.047 8.230 0.009 0.000 0.432 77 S N -0.927 114.782 115.700 0.016 0.000 2.370 77 S HA -0.478 nan 4.470 nan 0.000 0.226 77 S C 1.929 176.562 174.600 0.055 0.000 1.033 77 S CA 3.714 61.932 58.200 0.029 0.000 1.011 77 S CB -0.546 62.685 63.200 0.052 0.000 0.852 77 S HN -0.495 7.824 8.310 0.015 0.000 0.457 78 N N 0.939 119.688 118.700 0.081 0.000 2.058 78 N HA -0.275 nan 4.740 nan 0.000 0.191 78 N C 1.604 177.165 175.510 0.085 0.000 1.037 78 N CA 3.074 56.204 53.050 0.134 0.000 0.848 78 N CB -0.139 38.411 38.487 0.105 0.000 1.021 78 N HN -0.620 7.690 8.380 0.065 0.109 0.422 79 D N 0.051 120.475 120.400 0.041 0.000 2.218 79 D HA -0.247 nan 4.640 nan 0.000 0.204 79 D C 2.804 179.097 176.300 -0.012 0.000 0.976 79 D CA 3.243 57.253 54.000 0.016 0.000 0.853 79 D CB -0.247 40.557 40.800 0.007 0.000 0.939 79 D HN -0.206 8.186 8.370 0.037 0.000 0.481 80 L N -0.285 120.925 121.223 -0.021 0.000 2.044 80 L HA -0.296 nan 4.340 nan 0.000 0.205 80 L C 1.956 178.769 176.870 -0.095 0.000 1.075 80 L CA 3.292 58.103 54.840 -0.048 0.000 0.747 80 L CB 0.101 42.134 42.059 -0.043 0.000 0.903 80 L HN -0.094 8.017 8.230 -0.007 0.115 0.435 81 V N -0.052 119.781 119.914 -0.136 0.000 2.261 81 V HA -0.511 nan 4.120 nan 0.000 0.246 81 V C 1.999 177.920 176.094 -0.289 0.000 1.047 81 V CA 4.459 66.569 62.300 -0.316 0.000 1.015 81 V CB -0.806 30.641 31.823 -0.626 0.000 0.642 81 V HN -0.236 7.905 8.190 -0.081 0.000 0.446 82 I N -1.183 119.298 120.570 -0.148 0.000 2.091 82 I HA -0.704 nan 4.170 nan 0.000 0.239 82 I C 1.720 177.796 176.117 -0.068 0.000 1.061 82 I CA 4.485 65.754 61.300 -0.051 0.000 1.317 82 I CB -0.647 37.387 38.000 0.056 0.000 1.031 82 I HN 0.096 8.261 8.210 -0.074 0.000 0.401 83 N N -0.605 118.060 118.700 -0.058 0.000 2.166 83 N HA -0.228 nan 4.740 nan 0.000 0.186 83 N C 2.683 178.152 175.510 -0.069 0.000 1.019 83 N CA 3.162 56.179 53.050 -0.055 0.000 0.856 83 N CB -0.298 38.166 38.487 -0.039 0.000 0.993 83 N HN -0.573 7.778 8.380 -0.048 0.000 0.426 84 V N 0.556 120.418 119.914 -0.087 0.000 2.548 84 V HA -0.243 nan 4.120 nan 0.000 0.249 84 V C 2.563 178.596 176.094 -0.102 0.000 1.055 84 V CA 3.857 66.104 62.300 -0.088 0.000 1.065 84 V CB -0.594 31.169 31.823 -0.100 0.000 0.681 84 V HN -0.240 7.892 8.190 -0.097 0.000 0.462 85 L N -0.987 120.153 121.223 -0.137 0.000 2.072 85 L HA -0.354 nan 4.340 nan 0.000 0.205 85 L C 2.127 178.938 176.870 -0.098 0.000 1.079 85 L CA 2.899 57.660 54.840 -0.132 0.000 0.752 85 L CB -0.510 41.448 42.059 -0.170 0.000 0.906 85 L HN 0.050 8.187 8.230 -0.155 0.000 0.436 86 K N -0.758 119.579 120.400 -0.106 0.000 2.009 86 K HA -0.363 nan 4.320 nan 0.000 0.210 86 K C 2.638 179.105 176.600 -0.222 0.000 1.049 86 K CA 3.522 59.719 56.287 -0.150 0.000 0.929 86 K CB -0.043 32.376 32.500 -0.135 0.000 0.714 86 K HN 0.169 8.359 8.250 -0.099 0.000 0.440 87 S N -1.187 114.437 115.700 -0.126 0.000 2.537 87 S HA -0.167 nan 4.470 nan 0.000 0.240 87 S C 0.915 175.601 174.600 0.142 0.000 0.981 87 S CA 2.682 60.865 58.200 -0.029 0.000 0.948 87 S CB -0.798 62.426 63.200 0.039 0.000 0.759 87 S HN -0.355 7.899 8.310 -0.092 0.000 0.531 88 S N 0.859 116.593 115.700 0.057 0.000 2.522 88 S HA -0.155 nan 4.470 nan 0.000 0.227 88 S C 0.228 174.984 174.600 0.259 0.000 0.986 88 S CA 0.830 59.103 58.200 0.122 0.000 0.929 88 S CB 0.638 63.851 63.200 0.022 0.000 0.769 88 S HN -0.692 7.413 8.310 -0.029 0.187 0.529 89 F N -1.604 118.348 119.950 0.005 0.000 3.084 89 F HA -0.371 nan 4.527 nan 0.000 0.286 89 F C -0.924 174.902 175.800 0.042 0.000 0.855 89 F CA 1.397 59.408 58.000 0.019 0.000 1.091 89 F CB -1.987 37.020 39.000 0.012 0.000 1.177 89 F HN -0.255 7.823 8.300 -0.089 0.170 0.542 90 A N -4.742 118.165 122.820 0.145 0.000 2.469 90 A HA 0.276 nan 4.320 nan 0.000 0.245 90 A C -1.475 176.240 177.584 0.219 0.000 1.221 90 A CA -0.095 52.059 52.037 0.194 0.000 0.946 90 A CB 2.181 21.283 19.000 0.170 0.000 1.049 90 A HN -0.600 7.567 8.150 0.084 0.033 0.529 91 T N -5.706 108.914 114.554 0.110 0.000 2.930 91 T HA 0.678 nan 4.350 nan 0.000 0.290 91 T C 0.190 174.921 174.700 0.051 0.000 1.052 91 T CA -2.093 60.074 62.100 0.111 0.000 1.017 91 T CB 2.994 71.910 68.868 0.081 0.000 1.137 91 T HN -0.490 7.777 8.240 0.046 0.000 0.511 92 C N -2.054 117.281 119.300 0.059 0.000 3.685 92 C HA 0.546 nan 4.460 nan 0.000 0.513 92 C C -1.066 173.947 174.990 0.038 0.000 1.448 92 C CA -0.268 58.767 59.018 0.029 0.000 2.275 92 C CB 1.992 29.741 27.740 0.015 0.000 3.373 92 C HN 0.902 9.187 8.230 0.092 0.000 0.627 93 V N 1.135 121.090 119.914 0.069 0.000 2.623 93 V HA 0.637 nan 4.120 nan 0.000 0.304 93 V C -2.493 173.672 176.094 0.118 0.000 1.054 93 V CA -0.412 61.934 62.300 0.076 0.000 0.882 93 V CB 2.282 34.147 31.823 0.069 0.000 1.002 93 V HN -0.695 7.549 8.190 0.091 0.000 0.424 94 L N 5.966 127.261 121.223 0.119 0.000 2.341 94 L HA 0.816 nan 4.340 nan 0.000 0.278 94 L C -1.528 175.403 176.870 0.101 0.000 1.005 94 L CA -1.027 53.927 54.840 0.189 0.000 0.818 94 L CB 2.598 44.806 42.059 0.247 0.000 1.259 94 L HN 0.696 8.870 8.230 0.088 0.108 0.418 95 V N 5.599 125.541 119.914 0.047 0.000 2.407 95 V HA 0.426 nan 4.120 nan 0.000 0.291 95 V C -1.379 174.399 176.094 -0.526 0.000 1.018 95 V CA -0.667 61.569 62.300 -0.106 0.000 0.842 95 V CB 2.382 34.217 31.823 0.020 0.000 0.996 95 V HN 1.064 9.228 8.190 0.135 0.107 0.426 96 T N 8.192 122.373 114.554 -0.621 0.000 2.888 96 T HA 0.485 nan 4.350 nan 0.000 0.284 96 T C 0.259 174.504 174.700 -0.759 0.000 1.017 96 T CA -1.001 60.481 62.100 -1.031 0.000 1.022 96 T CB 2.032 70.524 68.868 -0.626 0.000 1.013 96 T HN 0.286 8.337 8.240 -0.314 0.000 0.465 97 E N 4.747 124.315 120.200 -1.053 0.000 2.110 97 E HA -0.362 nan 4.350 nan 0.000 0.193 97 E C 0.316 176.703 176.600 -0.354 0.000 0.988 97 E CA 3.031 58.915 56.400 -0.861 0.000 0.804 97 E CB 0.121 29.472 29.700 -0.582 0.000 0.745 97 E HN 0.119 7.825 8.360 -1.090 0.000 0.458 98 E N -4.463 115.571 120.200 -0.276 0.000 2.418 98 E HA -0.067 nan 4.350 nan 0.000 0.197 98 E C -0.386 176.149 176.600 -0.108 0.000 1.026 98 E CA 0.696 57.008 56.400 -0.147 0.000 0.862 98 E CB -0.173 29.479 29.700 -0.080 0.000 0.799 98 E HN 0.195 8.333 8.360 -0.337 0.020 0.518 99 D N 0.449 120.792 120.400 -0.095 0.000 2.362 99 D HA 0.231 nan 4.640 nan 0.000 0.247 99 D C -0.507 175.846 176.300 0.088 0.000 1.050 99 D CA -0.668 53.324 54.000 -0.013 0.000 0.839 99 D CB 2.411 43.212 40.800 0.001 0.000 1.283 99 D HN -0.602 7.531 8.370 -0.130 0.159 0.477 100 K N 2.828 123.275 120.400 0.078 0.000 2.002 100 K HA -0.307 nan 4.320 nan 0.000 0.209 100 K C -0.085 176.677 176.600 0.271 0.000 1.048 100 K CA 2.623 59.009 56.287 0.165 0.000 0.930 100 K CB 0.508 33.049 32.500 0.069 0.000 0.714 100 K HN 0.438 8.707 8.250 0.031 0.000 0.438 101 N N -2.957 115.820 118.700 0.127 0.000 2.477 101 N HA 0.127 nan 4.740 nan 0.000 0.284 101 N C -1.499 174.034 175.510 0.038 0.000 1.182 101 N CA -1.038 52.051 53.050 0.066 0.000 0.949 101 N CB 0.899 39.409 38.487 0.039 0.000 1.204 101 N HN -0.558 7.876 8.380 0.089 0.000 0.526 102 A N -0.452 122.371 122.820 0.005 0.000 2.406 102 A HA 0.188 nan 4.320 nan 0.000 0.243 102 A C -0.505 177.090 177.584 0.019 0.000 1.082 102 A CA -0.085 51.953 52.037 0.003 0.000 0.786 102 A CB 0.910 19.909 19.000 -0.002 0.000 1.029 102 A HN 0.249 8.398 8.150 -0.003 0.000 0.495 103 I N 1.271 121.860 120.570 0.032 0.000 2.330 103 I HA 0.159 nan 4.170 nan 0.000 0.289 103 I C -1.151 174.987 176.117 0.034 0.000 1.001 103 I CA -0.640 60.682 61.300 0.036 0.000 1.193 103 I CB 1.676 39.708 38.000 0.054 0.000 1.345 103 I HN 0.599 8.721 8.210 0.038 0.111 0.461 104 I N 7.751 128.333 120.570 0.020 0.000 2.312 104 I HA 0.147 nan 4.170 nan 0.000 0.291 104 I C -0.085 176.033 176.117 0.002 0.000 1.031 104 I CA -2.186 59.122 61.300 0.013 0.000 1.293 104 I CB -1.112 36.893 38.000 0.007 0.000 1.403 104 I HN 0.164 8.384 8.210 0.016 0.000 0.484 105 V N 8.798 128.710 119.914 -0.004 0.000 2.843 105 V HA -0.077 nan 4.120 nan 0.000 0.305 105 V C 0.108 176.181 176.094 -0.036 0.000 1.065 105 V CA 0.115 62.397 62.300 -0.031 0.000 1.116 105 V CB 0.196 31.990 31.823 -0.048 0.000 0.968 105 V HN 0.386 8.472 8.190 0.005 0.107 0.487 106 E N 4.978 125.147 120.200 -0.052 0.000 2.415 106 E HA 0.019 nan 4.350 nan 0.000 0.262 106 E C -0.719 175.859 176.600 -0.037 0.000 1.038 106 E CA -0.454 55.923 56.400 -0.039 0.000 0.921 106 E CB -0.589 29.084 29.700 -0.044 0.000 0.950 106 E HN 0.300 8.620 8.360 -0.067 0.000 0.438 107 P HA -0.275 nan 4.420 nan 0.000 0.216 107 P C 1.478 178.793 177.300 0.024 0.000 1.150 107 P CA 2.569 65.672 63.100 0.005 0.000 0.843 107 P CB 0.119 31.826 31.700 0.012 0.000 0.787 108 E N -2.292 117.925 120.200 0.028 0.000 2.160 108 E HA -0.211 nan 4.350 nan 0.000 0.195 108 E C 0.678 177.348 176.600 0.116 0.000 0.991 108 E CA 2.362 58.814 56.400 0.088 0.000 0.810 108 E CB -0.397 29.349 29.700 0.078 0.000 0.742 108 E HN 0.583 8.932 8.360 0.012 0.018 0.466 109 K N -4.968 115.361 120.400 -0.120 0.000 2.374 109 K HA 0.182 nan 4.320 nan 0.000 0.202 109 K C -0.817 175.648 176.600 -0.225 0.000 1.040 109 K CA -1.165 54.821 56.287 -0.501 0.000 1.085 109 K CB 0.978 33.037 32.500 -0.735 0.000 0.873 109 K HN -0.408 7.625 8.250 -0.101 0.157 0.539 110 R N -0.069 120.401 120.500 -0.050 0.000 2.640 110 R HA -0.302 nan 4.340 nan 0.000 0.270 110 R C -0.050 176.280 176.300 0.050 0.000 1.024 110 R CA 1.469 57.567 56.100 -0.003 0.000 1.085 110 R CB 0.443 30.749 30.300 0.010 0.000 0.963 110 R HN -0.682 7.453 8.270 -0.018 0.124 0.426 111 G N 2.079 110.907 108.800 0.047 0.000 3.105 111 G HA2 0.260 nan 3.960 nan 0.000 0.277 111 G HA3 0.260 nan 3.960 nan 0.000 0.277 111 G C -2.000 172.902 174.900 0.003 0.000 1.375 111 G CA -0.538 44.607 45.100 0.076 0.000 0.962 111 G HN -0.383 7.822 8.290 0.029 0.103 0.541 112 K N -2.262 118.080 120.400 -0.097 0.000 2.404 112 K HA 0.163 nan 4.320 nan 0.000 0.194 112 K C -0.866 175.471 176.600 -0.438 0.000 1.023 112 K CA 0.718 56.828 56.287 -0.294 0.000 1.094 112 K CB 0.617 32.862 32.500 -0.424 0.000 0.841 112 K HN 0.131 8.468 8.250 -0.053 -0.119 0.523 113 Y N -1.094 119.232 120.300 0.042 0.000 2.352 113 Y HA 0.453 nan 4.550 nan 0.000 0.326 113 Y C -1.334 174.608 175.900 0.070 0.000 1.166 113 Y CA -0.325 57.809 58.100 0.055 0.000 1.182 113 Y CB 1.964 40.449 38.460 0.041 0.000 1.216 113 Y HN -0.464 7.836 8.280 0.123 0.053 0.474 114 V N 1.409 121.501 119.914 0.297 0.000 2.448 114 V HA 0.619 nan 4.120 nan 0.000 0.295 114 V C -1.559 174.687 176.094 0.254 0.000 1.025 114 V CA -0.738 61.706 62.300 0.240 0.000 0.859 114 V CB 1.281 33.256 31.823 0.253 0.000 0.988 114 V HN 0.880 9.188 8.190 0.371 0.104 0.431 115 V N 6.254 126.307 119.914 0.232 0.000 2.487 115 V HA 0.698 nan 4.120 nan 0.000 0.298 115 V C -1.426 174.866 176.094 0.330 0.000 1.028 115 V CA -1.917 60.533 62.300 0.251 0.000 0.860 115 V CB 2.306 34.258 31.823 0.215 0.000 0.991 115 V HN 0.936 9.258 8.190 0.220 0.000 0.427 116 C N 7.007 126.483 119.300 0.294 0.000 2.281 116 C HA 1.021 nan 4.460 nan 0.000 0.323 116 C C -1.399 173.790 174.990 0.333 0.000 1.270 116 C CA -1.647 57.524 59.018 0.255 0.000 1.559 116 C CB -0.249 27.640 27.740 0.248 0.000 2.239 116 C HN 0.794 9.160 8.230 0.226 0.000 0.488 117 F N 1.700 121.732 119.950 0.137 0.000 2.626 117 F HA 0.698 nan 4.527 nan 0.000 0.311 117 F C -3.067 172.715 175.800 -0.031 0.000 1.088 117 F CA -2.639 55.437 58.000 0.125 0.000 0.949 117 F CB 2.800 41.878 39.000 0.129 0.000 1.322 117 F HN 1.106 9.128 8.300 -0.463 0.000 0.461 118 D N 0.808 121.315 120.400 0.178 0.000 2.461 118 D HA 0.598 nan 4.640 nan 0.000 0.240 118 D C -0.932 175.521 176.300 0.254 0.000 1.094 118 D CA -3.888 50.146 54.000 0.056 0.000 0.868 118 D CB 1.807 42.695 40.800 0.146 0.000 1.062 118 D HN 0.357 8.826 8.370 0.346 0.109 0.530 119 P HA -0.126 nan 4.420 nan 0.000 0.216 119 P C -0.987 176.450 177.300 0.228 0.000 1.150 119 P CA 1.801 65.089 63.100 0.313 0.000 0.837 119 P CB 0.378 32.255 31.700 0.295 0.000 0.786 120 L N -2.225 119.101 121.223 0.171 0.000 2.568 120 L HA 0.133 nan 4.340 nan 0.000 0.262 120 L C -2.674 174.270 176.870 0.122 0.000 0.980 120 L CA -0.342 54.600 54.840 0.169 0.000 0.882 120 L CB 2.831 44.968 42.059 0.129 0.000 1.198 120 L HN -0.811 7.499 8.230 0.133 0.000 0.425 121 D N 5.050 125.520 120.400 0.117 0.000 2.210 121 D HA 0.222 nan 4.640 nan 0.000 0.249 121 D C -0.056 176.281 176.300 0.061 0.000 1.078 121 D CA -0.542 53.504 54.000 0.077 0.000 0.875 121 D CB 2.045 42.878 40.800 0.055 0.000 1.175 121 D HN 0.768 9.109 8.370 0.137 0.111 0.440 122 G N 3.677 112.508 108.800 0.053 0.000 2.165 122 G HA2 -0.300 nan 3.960 nan 0.000 0.226 122 G HA3 -0.300 nan 3.960 nan 0.000 0.226 122 G C -0.077 174.856 174.900 0.055 0.000 1.035 122 G CA 0.502 45.630 45.100 0.045 0.000 0.744 122 G HN 0.427 8.750 8.290 0.056 0.000 0.501 123 S N 0.038 115.772 115.700 0.057 0.000 2.474 123 S HA -0.249 nan 4.470 nan 0.000 0.235 123 S C 1.696 176.324 174.600 0.048 0.000 0.997 123 S CA 2.067 60.299 58.200 0.053 0.000 0.949 123 S CB -0.041 63.188 63.200 0.049 0.000 0.766 123 S HN 0.239 8.583 8.310 0.057 0.000 0.517 124 S N 2.888 118.619 115.700 0.051 0.000 2.356 124 S HA -0.312 nan 4.470 nan 0.000 0.223 124 S C 1.327 175.955 174.600 0.046 0.000 1.032 124 S CA 2.810 61.041 58.200 0.050 0.000 1.005 124 S CB -0.303 62.933 63.200 0.061 0.000 0.867 124 S HN 0.275 8.588 8.310 0.055 0.030 0.449 125 N N 1.431 120.158 118.700 0.046 0.000 2.588 125 N HA -0.210 nan 4.740 nan 0.000 0.190 125 N C 1.177 176.710 175.510 0.038 0.000 1.094 125 N CA 1.868 54.942 53.050 0.040 0.000 0.921 125 N CB -0.834 37.673 38.487 0.033 0.000 0.959 125 N HN 0.084 8.493 8.380 0.049 0.000 0.448 126 I N 0.432 121.026 120.570 0.041 0.000 2.179 126 I HA -0.507 nan 4.170 nan 0.000 0.242 126 I C 1.723 177.860 176.117 0.033 0.000 1.088 126 I CA 3.857 65.180 61.300 0.039 0.000 1.357 126 I CB -0.382 37.641 38.000 0.038 0.000 1.051 126 I HN -0.758 7.277 8.210 0.043 0.201 0.409 127 D N -0.137 120.283 120.400 0.033 0.000 2.265 127 D HA -0.194 nan 4.640 nan 0.000 0.208 127 D C 0.880 177.195 176.300 0.026 0.000 0.977 127 D CA 2.736 56.754 54.000 0.031 0.000 0.871 127 D CB -0.350 40.468 40.800 0.031 0.000 0.925 127 D HN -0.062 8.329 8.370 0.035 0.000 0.485 128 C N -2.874 116.441 119.300 0.026 0.000 2.974 128 C HA 0.267 nan 4.460 nan 0.000 0.282 128 C C 0.055 175.056 174.990 0.020 0.000 1.292 128 C CA -1.370 57.661 59.018 0.022 0.000 1.710 128 C CB 0.258 28.012 27.740 0.024 0.000 2.036 128 C HN -0.614 7.490 8.230 0.029 0.144 0.629 129 L N -2.474 118.763 121.223 0.022 0.000 3.843 129 L HA -0.431 nan 4.340 nan 0.000 0.411 129 L C 0.023 176.907 176.870 0.023 0.000 1.205 129 L CA 0.635 55.489 54.840 0.022 0.000 0.945 129 L CB -2.779 39.288 42.059 0.015 0.000 1.929 129 L HN -0.312 7.745 8.230 0.025 0.188 0.934 130 V N -1.586 118.343 119.914 0.024 0.000 2.732 130 V HA 0.012 nan 4.120 nan 0.000 0.297 130 V C 0.768 176.878 176.094 0.027 0.000 1.060 130 V CA 0.136 62.447 62.300 0.018 0.000 1.038 130 V CB 0.971 32.802 31.823 0.013 0.000 1.003 130 V HN -0.524 7.659 8.190 0.027 0.023 0.481 131 S N 5.353 121.063 115.700 0.016 0.000 2.558 131 S HA -0.003 nan 4.470 nan 0.000 0.293 131 S C -1.129 173.488 174.600 0.028 0.000 1.292 131 S CA 1.501 59.716 58.200 0.024 0.000 1.063 131 S CB 0.167 63.361 63.200 -0.010 0.000 0.831 131 S HN 0.194 8.506 8.310 0.004 0.000 0.499 132 I N -2.705 117.913 120.570 0.081 0.000 3.239 132 I HA 0.996 nan 4.170 nan 0.000 0.314 132 I C -1.506 174.653 176.117 0.069 0.000 1.126 132 I CA -2.594 58.767 61.300 0.102 0.000 0.973 132 I CB 4.035 42.138 38.000 0.172 0.000 1.252 132 I HN -0.374 7.914 8.210 0.130 0.000 0.463 133 G N -1.996 106.835 108.800 0.053 0.000 2.600 133 G HA2 0.492 nan 3.960 nan 0.000 0.293 133 G HA3 0.492 nan 3.960 nan 0.000 0.293 133 G C -2.816 172.122 174.900 0.062 0.000 1.408 133 G CA -0.017 44.999 45.100 -0.140 0.000 0.782 133 G HN -0.409 7.942 8.290 0.103 0.000 0.482 134 T N 1.894 116.482 114.554 0.055 0.000 2.841 134 T HA 0.847 nan 4.350 nan 0.000 0.283 134 T C -1.002 173.840 174.700 0.236 0.000 1.000 134 T CA -0.459 61.774 62.100 0.222 0.000 0.977 134 T CB 1.543 70.596 68.868 0.309 0.000 0.979 134 T HN 0.461 8.539 8.240 -0.088 0.109 0.446 135 I N 4.434 125.153 120.570 0.248 0.000 2.509 135 I HA 1.010 nan 4.170 nan 0.000 0.293 135 I C -1.943 174.335 176.117 0.267 0.000 1.020 135 I CA -1.410 59.987 61.300 0.161 0.000 1.088 135 I CB 2.521 40.586 38.000 0.107 0.000 1.267 135 I HN 0.595 8.967 8.210 0.270 0.000 0.430 136 F N 1.924 121.961 119.950 0.146 0.000 2.619 136 F HA 0.884 nan 4.527 nan 0.000 0.308 136 F C -2.264 173.553 175.800 0.029 0.000 1.097 136 F CA -2.223 55.853 58.000 0.127 0.000 0.953 136 F CB 2.923 41.968 39.000 0.074 0.000 1.287 136 F HN 0.526 8.475 8.300 -0.586 0.000 0.446 137 G N -0.517 108.356 108.800 0.122 0.000 2.638 137 G HA2 0.806 nan 3.960 nan 0.000 0.302 137 G HA3 0.806 nan 3.960 nan 0.000 0.302 137 G C -2.972 171.866 174.900 -0.103 0.000 1.365 137 G CA -1.031 43.996 45.100 -0.123 0.000 0.987 137 G HN 0.821 9.259 8.290 0.247 0.000 0.495 138 I N 2.779 123.217 120.570 -0.220 0.000 2.436 138 I HA 0.739 nan 4.170 nan 0.000 0.289 138 I C -1.873 174.128 176.117 -0.194 0.000 1.010 138 I CA -1.078 60.150 61.300 -0.119 0.000 1.098 138 I CB 2.791 40.757 38.000 -0.057 0.000 1.266 138 I HN 0.917 8.935 8.210 -0.321 0.000 0.434 139 Y N 5.601 125.982 120.300 0.135 0.000 2.528 139 Y HA 0.587 nan 4.550 nan 0.000 0.335 139 Y C -1.614 174.412 175.900 0.210 0.000 1.093 139 Y CA -2.067 56.108 58.100 0.124 0.000 1.134 139 Y CB 3.344 41.848 38.460 0.073 0.000 1.253 139 Y HN 1.086 9.363 8.280 0.171 0.106 0.478 140 R N 0.996 121.687 120.500 0.319 0.000 2.294 140 R HA 0.374 nan 4.340 nan 0.000 0.319 140 R C -1.055 175.254 176.300 0.015 0.000 0.984 140 R CA -1.469 54.678 56.100 0.078 0.000 0.861 140 R CB 1.686 32.018 30.300 0.054 0.000 1.104 140 R HN 0.552 9.022 8.270 0.333 0.000 0.451 141 K N 7.837 128.197 120.400 -0.067 0.000 2.453 141 K HA -0.215 nan 4.320 nan 0.000 0.280 141 K C -0.564 176.003 176.600 -0.055 0.000 1.045 141 K CA 1.127 57.386 56.287 -0.047 0.000 1.059 141 K CB 0.273 32.736 32.500 -0.063 0.000 0.901 141 K HN 0.570 8.621 8.250 -0.157 0.105 0.475 142 N N 5.500 124.177 118.700 -0.039 0.000 2.523 142 N HA -0.017 nan 4.740 nan 0.000 0.209 142 N C 0.025 175.515 175.510 -0.034 0.000 1.039 142 N CA 0.716 53.745 53.050 -0.035 0.000 1.002 142 N CB 0.199 38.669 38.487 -0.029 0.000 1.270 142 N HN 0.485 8.842 8.380 -0.039 0.000 0.481 143 S N 1.296 116.975 115.700 -0.034 0.000 2.465 143 S HA 0.038 nan 4.470 nan 0.000 0.307 143 S C 0.026 174.609 174.600 -0.027 0.000 1.187 143 S CA 0.040 58.222 58.200 -0.029 0.000 1.141 143 S CB -0.476 62.706 63.200 -0.030 0.000 1.108 143 S HN -0.171 8.115 8.310 -0.040 0.000 0.525 144 T N 9.429 123.968 114.554 -0.025 0.000 3.859 144 T HA -0.084 nan 4.350 nan 0.000 0.251 144 T C -0.872 173.817 174.700 -0.018 0.000 1.079 144 T CA 1.100 63.186 62.100 -0.024 0.000 1.151 144 T CB -1.154 67.700 68.868 -0.023 0.000 1.173 144 T HN 0.180 8.406 8.240 -0.024 0.000 0.885 145 D N 3.112 123.502 120.400 -0.017 0.000 2.654 145 D HA 0.123 nan 4.640 nan 0.000 0.255 145 D C -1.340 174.953 176.300 -0.012 0.000 1.101 145 D CA -1.962 52.030 54.000 -0.014 0.000 1.116 145 D CB 2.351 43.143 40.800 -0.014 0.000 1.348 145 D HN -0.514 7.806 8.370 -0.020 0.038 0.609 146 E N -0.616 119.579 120.200 -0.009 0.000 2.480 146 E HA 0.039 nan 4.350 nan 0.000 0.258 146 E C -0.867 175.728 176.600 -0.008 0.000 0.984 146 E CA -1.038 55.357 56.400 -0.007 0.000 0.930 146 E CB -0.630 29.067 29.700 -0.005 0.000 0.936 146 E HN 0.079 8.434 8.360 -0.008 0.000 0.466 147 P HA -0.077 nan 4.420 nan 0.000 0.267 147 P C -1.205 176.094 177.300 -0.003 0.000 1.200 147 P CA 0.190 63.287 63.100 -0.005 0.000 0.772 147 P CB 0.618 32.318 31.700 -0.001 0.000 0.855 148 S N 1.774 117.472 115.700 -0.003 0.000 2.683 148 S HA 0.128 nan 4.470 nan 0.000 0.269 148 S C 0.195 174.791 174.600 -0.006 0.000 1.165 148 S CA -0.921 57.277 58.200 -0.004 0.000 0.840 148 S CB 1.454 64.649 63.200 -0.008 0.000 1.169 148 S HN 0.271 8.850 8.310 -0.004 -0.272 0.490 149 E N 3.689 123.884 120.200 -0.010 0.000 2.086 149 E HA -0.379 nan 4.350 nan 0.000 0.200 149 E C 1.477 178.059 176.600 -0.029 0.000 1.012 149 E CA 3.503 59.892 56.400 -0.018 0.000 0.812 149 E CB -0.435 29.251 29.700 -0.024 0.000 0.743 149 E HN 0.391 8.746 8.360 -0.008 0.000 0.453 150 K N -1.298 119.083 120.400 -0.032 0.000 2.218 150 K HA -0.275 nan 4.320 nan 0.000 0.205 150 K C 2.724 179.288 176.600 -0.059 0.000 1.046 150 K CA 2.270 58.530 56.287 -0.045 0.000 0.933 150 K CB -0.494 31.983 32.500 -0.037 0.000 0.728 150 K HN -0.222 8.013 8.250 -0.026 0.000 0.454 151 D N -1.384 118.989 120.400 -0.044 0.000 2.218 151 D HA -0.201 nan 4.640 nan 0.000 0.204 151 D C 0.733 176.990 176.300 -0.071 0.000 0.976 151 D CA 2.696 56.666 54.000 -0.050 0.000 0.853 151 D CB -0.168 40.622 40.800 -0.017 0.000 0.939 151 D HN -0.171 8.033 8.370 -0.029 0.149 0.481 152 A N -3.191 119.601 122.820 -0.046 0.000 2.132 152 A HA 0.078 nan 4.320 nan 0.000 0.213 152 A C 0.831 178.340 177.584 -0.124 0.000 1.154 152 A CA 1.019 53.044 52.037 -0.019 0.000 0.753 152 A CB 0.887 19.918 19.000 0.052 0.000 0.826 152 A HN -0.039 7.932 8.150 -0.031 0.160 0.469 153 L N -0.550 120.591 121.223 -0.135 0.000 2.511 153 L HA -0.121 nan 4.340 nan 0.000 0.239 153 L C -0.845 175.897 176.870 -0.213 0.000 1.400 153 L CA -0.102 54.656 54.840 -0.137 0.000 1.226 153 L CB -2.112 39.893 42.059 -0.090 0.000 1.475 153 L HN -0.480 7.514 8.230 -0.108 0.170 0.428 154 Q N 0.564 120.128 119.800 -0.393 0.000 2.342 154 Q HA 0.413 nan 4.340 nan 0.000 0.267 154 Q C -2.397 173.429 176.000 -0.289 0.000 1.038 154 Q CA -3.815 51.713 55.803 -0.459 0.000 0.832 154 Q CB 2.245 30.464 28.738 -0.865 0.000 1.323 154 Q HN -0.282 7.639 8.270 -0.472 0.066 0.448 155 P HA -0.096 nan 4.420 nan 0.000 0.268 155 P C 0.310 177.713 177.300 0.172 0.000 1.208 155 P CA -0.170 62.944 63.100 0.023 0.000 0.777 155 P CB 1.011 32.725 31.700 0.023 0.000 0.875 156 G N -0.151 108.781 108.800 0.220 0.000 2.509 156 G HA2 -0.315 nan 3.960 nan 0.000 0.218 156 G HA3 -0.315 nan 3.960 nan 0.000 0.218 156 G C 1.429 176.497 174.900 0.281 0.000 1.124 156 G CA 1.378 46.652 45.100 0.291 0.000 0.776 156 G HN 0.725 9.105 8.290 0.149 0.000 0.547 157 R N 1.146 121.775 120.500 0.215 0.000 2.193 157 R HA -0.224 nan 4.340 nan 0.000 0.229 157 R C 1.049 177.487 176.300 0.230 0.000 1.110 157 R CA 1.667 57.886 56.100 0.198 0.000 0.988 157 R CB -0.289 30.082 30.300 0.117 0.000 0.871 157 R HN -0.402 7.915 8.270 0.166 0.052 0.458 158 N N -2.719 116.138 118.700 0.262 0.000 2.370 158 N HA -0.014 nan 4.740 nan 0.000 0.198 158 N C -0.172 175.562 175.510 0.372 0.000 1.156 158 N CA -0.041 53.177 53.050 0.280 0.000 0.839 158 N CB 0.183 38.778 38.487 0.179 0.000 0.989 158 N HN -0.380 8.000 8.380 0.276 0.166 0.468 159 L N -0.469 120.876 121.223 0.203 0.000 2.410 159 L HA -0.121 nan 4.340 nan 0.000 0.273 159 L C 0.274 177.058 176.870 -0.144 0.000 1.152 159 L CA 0.661 55.377 54.840 -0.207 0.000 0.855 159 L CB 0.423 42.042 42.059 -0.734 0.000 1.129 159 L HN -0.643 7.564 8.230 0.236 0.165 0.463 160 V N 3.023 122.871 119.914 -0.111 0.000 2.535 160 V HA -0.101 nan 4.120 nan 0.000 0.246 160 V C -0.958 175.086 176.094 -0.083 0.000 1.045 160 V CA 1.766 64.067 62.300 0.002 0.000 1.058 160 V CB 0.164 32.050 31.823 0.104 0.000 0.689 160 V HN 0.532 8.638 8.190 -0.139 0.000 0.461 161 A N -5.450 117.228 122.820 -0.238 0.000 2.589 161 A HA 0.622 nan 4.320 nan 0.000 0.296 161 A C -3.202 174.204 177.584 -0.297 0.000 1.062 161 A CA -0.483 51.437 52.037 -0.195 0.000 0.686 161 A CB 3.170 22.157 19.000 -0.023 0.000 1.282 161 A HN -0.750 7.231 8.150 -0.281 0.000 0.404 162 A N -0.368 122.305 122.820 -0.246 0.000 2.609 162 A HA 1.019 nan 4.320 nan 0.000 0.291 162 A C -2.310 175.066 177.584 -0.347 0.000 1.096 162 A CA -1.142 50.700 52.037 -0.324 0.000 0.684 162 A CB 3.282 22.068 19.000 -0.357 0.000 1.282 162 A HN 0.587 8.682 8.150 -0.091 0.000 0.412 163 G N -2.746 105.549 108.800 -0.842 0.000 2.335 163 G HA2 0.633 nan 3.960 nan 0.000 0.291 163 G HA3 0.633 nan 3.960 nan 0.000 0.291 163 G C -3.475 170.926 174.900 -0.832 0.000 1.261 163 G CA 1.136 45.810 45.100 -0.710 0.000 0.871 163 G HN 0.069 7.678 8.290 -1.135 0.000 0.491 164 Y N -5.606 114.466 120.300 -0.379 0.000 2.624 164 Y HA 0.816 nan 4.550 nan 0.000 0.334 164 Y C -3.042 172.834 175.900 -0.039 0.000 1.155 164 Y CA -2.326 55.666 58.100 -0.180 0.000 1.046 164 Y CB 2.301 40.663 38.460 -0.163 0.000 1.316 164 Y HN 0.416 8.244 8.280 -0.754 0.000 0.457 165 A N -0.813 122.091 122.820 0.141 0.000 2.318 165 A HA 0.773 nan 4.320 nan 0.000 0.317 165 A C -2.809 174.585 177.584 -0.316 0.000 1.159 165 A CA -1.910 50.085 52.037 -0.069 0.000 0.799 165 A CB 1.818 20.800 19.000 -0.029 0.000 1.194 165 A HN 0.865 9.023 8.150 0.191 0.107 0.479 166 L N 4.433 125.478 121.223 -0.296 0.000 2.287 166 L HA 0.613 nan 4.340 nan 0.000 0.287 166 L C -2.046 174.572 176.870 -0.421 0.000 1.022 166 L CA -1.622 52.991 54.840 -0.378 0.000 0.814 166 L CB 2.796 44.714 42.059 -0.236 0.000 1.217 166 L HN 0.645 8.666 8.230 -0.172 0.106 0.420 167 Y N 6.707 127.028 120.300 0.036 0.000 2.802 167 Y HA 0.320 nan 4.550 nan 0.000 0.330 167 Y C -0.464 175.439 175.900 0.005 0.000 1.193 167 Y CA -1.752 56.364 58.100 0.027 0.000 1.427 167 Y CB -2.039 36.441 38.460 0.032 0.000 1.357 167 Y HN 0.868 8.841 8.280 -0.511 0.000 0.501 168 G N 1.334 110.176 108.800 0.070 0.000 3.194 168 G HA2 0.293 nan 3.960 nan 0.000 0.160 168 G HA3 0.293 nan 3.960 nan 0.000 0.160 168 G C 0.187 175.112 174.900 0.041 0.000 1.267 168 G CA -1.094 44.028 45.100 0.036 0.000 0.962 168 G HN -0.014 8.305 8.290 0.048 0.000 0.612 169 S N -0.005 115.709 115.700 0.023 0.000 2.442 169 S HA -0.129 nan 4.470 nan 0.000 0.236 169 S C 0.121 174.737 174.600 0.026 0.000 1.007 169 S CA 2.008 60.221 58.200 0.022 0.000 0.965 169 S CB 0.351 63.559 63.200 0.014 0.000 0.773 169 S HN 0.352 8.671 8.310 0.015 0.000 0.504 170 A N 0.649 123.488 122.820 0.031 0.000 2.593 170 A HA 0.260 nan 4.320 nan 0.000 0.290 170 A C -2.059 175.558 177.584 0.056 0.000 1.126 170 A CA -0.448 51.611 52.037 0.036 0.000 0.695 170 A CB 2.448 21.463 19.000 0.026 0.000 1.290 170 A HN -0.785 7.332 8.150 0.027 0.050 0.414 171 T N 1.290 115.892 114.554 0.080 0.000 2.799 171 T HA 0.597 nan 4.350 nan 0.000 0.286 171 T C -1.713 173.078 174.700 0.151 0.000 0.973 171 T CA 0.524 62.708 62.100 0.140 0.000 1.035 171 T CB 0.567 69.567 68.868 0.220 0.000 0.932 171 T HN 0.465 8.738 8.240 0.056 0.000 0.469 172 M N 6.414 126.075 119.600 0.102 0.000 2.518 172 M HA 0.825 nan 4.480 nan 0.000 0.300 172 M C -2.751 173.585 176.300 0.060 0.000 1.175 172 M CA -0.984 54.385 55.300 0.116 0.000 0.890 172 M CB 4.363 36.941 32.600 -0.035 0.000 1.710 172 M HN 0.489 8.782 8.290 0.004 0.000 0.453 173 L N 4.801 126.047 121.223 0.038 0.000 2.325 173 L HA 0.754 nan 4.340 nan 0.000 0.281 173 L C -2.388 174.391 176.870 -0.151 0.000 1.004 173 L CA -1.143 53.599 54.840 -0.165 0.000 0.823 173 L CB 2.941 44.672 42.059 -0.546 0.000 1.236 173 L HN 0.708 8.924 8.230 0.156 0.107 0.415 174 V N 7.344 127.024 119.914 -0.390 0.000 2.370 174 V HA 0.645 nan 4.120 nan 0.000 0.283 174 V C -1.779 174.141 176.094 -0.291 0.000 1.023 174 V CA -1.242 60.804 62.300 -0.423 0.000 0.857 174 V CB 0.764 32.114 31.823 -0.789 0.000 0.985 174 V HN 1.185 8.935 8.190 -0.546 0.112 0.443 175 L N 8.892 130.076 121.223 -0.065 0.000 2.333 175 L HA 0.887 nan 4.340 nan 0.000 0.280 175 L C -2.730 174.181 176.870 0.069 0.000 1.004 175 L CA -1.501 53.365 54.840 0.043 0.000 0.820 175 L CB 4.199 46.347 42.059 0.148 0.000 1.247 175 L HN 0.709 8.927 8.230 -0.021 0.000 0.416 176 A N 6.022 128.902 122.820 0.100 0.000 2.342 176 A HA 0.985 nan 4.320 nan 0.000 0.323 176 A C -2.178 175.597 177.584 0.318 0.000 1.125 176 A CA -1.489 50.663 52.037 0.191 0.000 0.785 176 A CB 2.654 21.792 19.000 0.231 0.000 1.221 176 A HN 1.149 9.341 8.150 0.071 0.000 0.463 177 M N 1.257 121.034 119.600 0.296 0.000 2.716 177 M HA 0.507 nan 4.480 nan 0.000 0.278 177 M C 0.632 177.070 176.300 0.230 0.000 1.281 177 M CA -0.938 54.540 55.300 0.296 0.000 0.814 177 M CB 4.202 36.921 32.600 0.199 0.000 1.719 177 M HN 0.347 8.766 8.290 0.214 0.000 0.457 178 V N 1.777 121.816 119.914 0.208 0.000 2.363 178 V HA -0.478 nan 4.120 nan 0.000 0.254 178 V C 0.430 176.562 176.094 0.063 0.000 1.074 178 V CA 3.640 66.014 62.300 0.124 0.000 1.069 178 V CB -0.022 31.870 31.823 0.114 0.000 0.659 178 V HN 0.942 9.263 8.190 0.218 0.000 0.455 179 N N -5.907 112.836 118.700 0.072 0.000 2.383 179 N HA 0.028 nan 4.740 nan 0.000 0.192 179 N C 0.421 175.964 175.510 0.054 0.000 1.141 179 N CA -0.309 52.772 53.050 0.052 0.000 0.851 179 N CB -0.610 37.906 38.487 0.048 0.000 0.976 179 N HN -0.053 8.359 8.380 0.094 0.024 0.465 180 G N -1.094 107.741 108.800 0.058 0.000 2.369 180 G HA2 -0.148 nan 3.960 nan 0.000 0.295 180 G HA3 -0.148 nan 3.960 nan 0.000 0.295 180 G C -3.117 171.819 174.900 0.060 0.000 1.298 180 G CA -0.404 44.721 45.100 0.043 0.000 0.940 180 G HN -0.351 7.813 8.290 0.068 0.167 0.536 181 V N -0.036 119.892 119.914 0.023 0.000 2.459 181 V HA 0.652 nan 4.120 nan 0.000 0.295 181 V C -1.283 174.782 176.094 -0.048 0.000 1.029 181 V CA -1.608 60.693 62.300 0.001 0.000 0.874 181 V CB 1.984 33.792 31.823 -0.026 0.000 0.985 181 V HN 0.367 8.561 8.190 0.006 0.000 0.438 182 N N 5.502 124.142 118.700 -0.101 0.000 2.260 182 N HA 0.649 nan 4.740 nan 0.000 0.293 182 N C -2.033 173.200 175.510 -0.462 0.000 1.058 182 N CA -0.365 52.493 53.050 -0.320 0.000 0.824 182 N CB 4.811 43.022 38.487 -0.461 0.000 1.551 182 N HN 0.715 9.066 8.380 -0.048 0.000 0.475 183 C N 1.315 120.274 119.300 -0.569 0.000 2.329 183 C HA 0.883 nan 4.460 nan 0.000 0.329 183 C C -1.275 173.302 174.990 -0.687 0.000 1.275 183 C CA -0.944 57.812 59.018 -0.436 0.000 1.726 183 C CB 0.374 28.003 27.740 -0.186 0.000 2.291 183 C HN 0.648 8.566 8.230 -0.520 0.000 0.514 184 F N 3.055 122.942 119.950 -0.106 0.000 2.467 184 F HA 0.625 nan 4.527 nan 0.000 0.336 184 F C -1.647 174.265 175.800 0.186 0.000 1.123 184 F CA -1.774 56.225 58.000 -0.002 0.000 0.964 184 F CB 2.658 41.609 39.000 -0.083 0.000 1.136 184 F HN 1.018 9.336 8.300 0.030 0.000 0.447 185 M N 4.154 123.940 119.600 0.310 0.000 2.188 185 M HA 0.538 nan 4.480 nan 0.000 0.357 185 M C -1.843 174.567 176.300 0.184 0.000 1.204 185 M CA -1.548 53.889 55.300 0.227 0.000 1.095 185 M CB 2.039 34.699 32.600 0.101 0.000 1.604 185 M HN 0.688 9.117 8.290 0.231 0.000 0.464 186 L N 6.561 127.790 121.223 0.011 0.000 2.319 186 L HA 0.276 nan 4.340 nan 0.000 0.280 186 L C -1.584 175.165 176.870 -0.202 0.000 1.099 186 L CA 0.043 54.639 54.840 -0.407 0.000 0.828 186 L CB 0.926 42.609 42.059 -0.626 0.000 1.150 186 L HN 0.411 8.701 8.230 0.100 0.000 0.442 187 D N 8.057 128.342 120.400 -0.191 0.000 2.428 187 D HA 0.352 nan 4.640 nan 0.000 0.221 187 D C -0.664 175.556 176.300 -0.133 0.000 1.123 187 D CA -3.255 50.681 54.000 -0.106 0.000 0.869 187 D CB 1.779 42.541 40.800 -0.063 0.000 1.032 187 D HN 0.188 8.411 8.370 -0.245 0.000 0.506 188 P HA 0.012 nan 4.420 nan 0.000 0.237 188 P C -0.455 176.802 177.300 -0.071 0.000 1.178 188 P CA 0.586 63.625 63.100 -0.101 0.000 0.766 188 P CB 0.072 31.725 31.700 -0.079 0.000 0.876 189 A N 0.262 123.049 122.820 -0.056 0.000 1.897 189 A HA -0.143 nan 4.320 nan 0.000 0.215 189 A C 0.908 178.467 177.584 -0.041 0.000 1.181 189 A CA 1.957 53.970 52.037 -0.040 0.000 0.620 189 A CB 0.264 19.246 19.000 -0.030 0.000 0.821 189 A HN -0.041 8.227 8.150 -0.057 -0.153 0.443 190 I N -7.352 113.189 120.570 -0.048 0.000 4.082 190 I HA 0.324 nan 4.170 nan 0.000 0.337 190 I C 0.387 176.469 176.117 -0.057 0.000 1.352 190 I CA -0.981 60.294 61.300 -0.042 0.000 1.097 190 I CB 0.930 38.913 38.000 -0.029 0.000 1.048 190 I HN -0.689 7.629 8.210 -0.056 -0.142 0.393 191 G N 1.792 110.539 108.800 -0.090 0.000 2.350 191 G HA2 -0.498 nan 3.960 nan 0.000 0.298 191 G HA3 -0.498 nan 3.960 nan 0.000 0.298 191 G C -1.985 172.843 174.900 -0.120 0.000 1.037 191 G CA 0.719 45.746 45.100 -0.121 0.000 1.074 191 G HN -0.189 7.940 8.290 -0.096 0.104 0.511 192 E N -1.416 118.695 120.200 -0.148 0.000 2.308 192 E HA 0.362 nan 4.350 nan 0.000 0.275 192 E C -1.938 174.599 176.600 -0.105 0.000 0.890 192 E CA -2.014 54.343 56.400 -0.071 0.000 0.754 192 E CB 4.210 33.904 29.700 -0.011 0.000 1.207 192 E HN -0.725 7.529 8.360 -0.177 0.000 0.426 193 F N 2.877 122.826 119.950 -0.002 0.000 2.411 193 F HA 0.440 nan 4.527 nan 0.000 0.350 193 F C -0.546 175.324 175.800 0.116 0.000 1.114 193 F CA -0.156 57.872 58.000 0.046 0.000 1.135 193 F CB 1.219 40.211 39.000 -0.015 0.000 1.120 193 F HN 0.368 8.827 8.300 0.264 0.000 0.495 194 I N 3.137 123.903 120.570 0.328 0.000 2.377 194 I HA 0.507 nan 4.170 nan 0.000 0.293 194 I C -1.214 175.069 176.117 0.277 0.000 0.987 194 I CA -2.772 58.682 61.300 0.256 0.000 1.185 194 I CB 0.979 39.055 38.000 0.126 0.000 1.341 194 I HN 0.823 9.102 8.210 0.280 0.100 0.455 195 L N 8.814 130.179 121.223 0.236 0.000 2.477 195 L HA -0.023 nan 4.340 nan 0.000 0.272 195 L C -0.912 175.868 176.870 -0.150 0.000 1.157 195 L CA 1.222 55.950 54.840 -0.186 0.000 0.889 195 L CB -0.059 41.913 42.059 -0.145 0.000 1.158 195 L HN 0.199 8.595 8.230 0.277 0.000 0.473 196 V N 1.123 120.903 119.914 -0.224 0.000 3.612 196 V HA 0.411 nan 4.120 nan 0.000 0.268 196 V C -0.115 175.902 176.094 -0.129 0.000 1.365 196 V CA -0.658 61.574 62.300 -0.113 0.000 1.044 196 V CB 0.720 32.514 31.823 -0.048 0.000 0.820 196 V HN 0.607 8.572 8.190 -0.376 0.000 0.444 197 D N 1.792 122.063 120.400 -0.214 0.000 2.855 197 D HA 0.246 nan 4.640 nan 0.000 0.241 197 D C -2.242 173.927 176.300 -0.219 0.000 1.277 197 D CA -0.218 53.683 54.000 -0.166 0.000 0.918 197 D CB 3.203 43.930 40.800 -0.123 0.000 1.462 197 D HN -0.491 7.673 8.370 -0.342 0.000 0.559 198 R N 3.432 123.849 120.500 -0.139 0.000 2.407 198 R HA 0.186 nan 4.340 nan 0.000 0.303 198 R C -0.884 175.382 176.300 -0.056 0.000 0.981 198 R CA -0.483 55.555 56.100 -0.104 0.000 0.905 198 R CB 1.498 31.773 30.300 -0.042 0.000 1.099 198 R HN 0.330 8.542 8.270 -0.097 0.000 0.459 199 N N 1.118 119.797 118.700 -0.034 0.000 2.671 199 N HA -0.356 nan 4.740 nan 0.000 0.261 199 N C -0.496 174.996 175.510 -0.030 0.000 1.053 199 N CA 1.045 54.087 53.050 -0.012 0.000 0.732 199 N CB -0.504 37.986 38.487 0.005 0.000 0.887 199 N HN 0.310 8.669 8.380 -0.035 0.000 0.546 200 V N -0.972 118.914 119.914 -0.047 0.000 2.585 200 V HA -0.142 nan 4.120 nan 0.000 0.296 200 V C -0.366 175.706 176.094 -0.036 0.000 1.035 200 V CA 1.167 63.438 62.300 -0.048 0.000 1.084 200 V CB 0.344 32.130 31.823 -0.061 0.000 0.953 200 V HN -0.052 8.000 8.190 -0.058 0.103 0.483 201 K N 4.639 125.018 120.400 -0.035 0.000 2.427 201 K HA 0.248 nan 4.320 nan 0.000 0.252 201 K C -1.245 175.335 176.600 -0.034 0.000 0.931 201 K CA -1.286 54.983 56.287 -0.031 0.000 0.793 201 K CB 3.430 35.914 32.500 -0.027 0.000 1.211 201 K HN -0.113 8.115 8.250 -0.037 0.000 0.426 202 I N 3.250 123.802 120.570 -0.030 0.000 2.638 202 I HA -0.007 nan 4.170 nan 0.000 0.286 202 I C -0.310 175.786 176.117 -0.036 0.000 1.088 202 I CA -0.329 60.952 61.300 -0.032 0.000 1.397 202 I CB 1.368 39.358 38.000 -0.017 0.000 1.414 202 I HN 0.403 8.597 8.210 -0.026 0.000 0.566 203 K N 7.986 128.355 120.400 -0.053 0.000 2.469 203 K HA -0.102 nan 4.320 nan 0.000 0.274 203 K C 0.274 176.853 176.600 -0.034 0.000 0.983 203 K CA 0.911 57.162 56.287 -0.060 0.000 0.974 203 K CB 0.501 32.937 32.500 -0.106 0.000 0.913 203 K HN 0.339 8.551 8.250 -0.063 0.000 0.493 204 K N 1.232 121.616 120.400 -0.026 0.000 2.026 204 K HA -0.281 nan 4.320 nan 0.000 0.208 204 K C 0.380 176.986 176.600 0.009 0.000 1.048 204 K CA 2.826 59.109 56.287 -0.006 0.000 0.929 204 K CB 0.397 32.894 32.500 -0.004 0.000 0.713 204 K HN 0.303 8.534 8.250 -0.032 0.000 0.439 205 K N -3.031 117.369 120.400 -0.001 0.000 2.324 205 K HA 0.151 nan 4.320 nan 0.000 0.253 205 K C -1.147 175.433 176.600 -0.034 0.000 0.932 205 K CA -1.622 54.680 56.287 0.024 0.000 0.799 205 K CB 2.371 34.897 32.500 0.043 0.000 1.154 205 K HN -0.659 7.577 8.250 -0.022 0.000 0.425 206 G N 1.332 110.124 108.800 -0.014 0.000 2.753 206 G HA2 0.427 nan 3.960 nan 0.000 0.285 206 G HA3 0.427 nan 3.960 nan 0.000 0.285 206 G C -1.733 172.929 174.900 -0.397 0.000 1.344 206 G CA -1.526 43.490 45.100 -0.141 0.000 1.050 206 G HN 0.225 9.005 8.290 0.088 -0.437 0.532 207 S N -3.555 111.834 115.700 -0.519 0.000 3.073 207 S HA 0.153 nan 4.470 nan 0.000 0.252 207 S C -1.160 173.128 174.600 -0.521 0.000 0.953 207 S CA -0.403 57.200 58.200 -0.995 0.000 1.105 207 S CB 0.773 63.649 63.200 -0.540 0.000 1.070 207 S HN 0.146 8.272 8.310 -0.306 0.000 0.574 208 I N 0.974 121.481 120.570 -0.104 0.000 2.607 208 I HA 0.717 nan 4.170 nan 0.000 0.290 208 I C -2.181 174.172 176.117 0.393 0.000 1.129 208 I CA -0.522 60.889 61.300 0.185 0.000 1.042 208 I CB 3.889 41.996 38.000 0.179 0.000 1.242 208 I HN -0.739 7.430 8.210 -0.069 0.000 0.421 209 Y N 3.836 124.334 120.300 0.331 0.000 2.487 209 Y HA 0.785 nan 4.550 nan 0.000 0.337 209 Y C -2.461 173.587 175.900 0.245 0.000 1.076 209 Y CA -3.250 55.030 58.100 0.300 0.000 1.115 209 Y CB 2.528 41.126 38.460 0.229 0.000 1.235 209 Y HN 0.318 8.721 8.280 0.205 0.000 0.468 210 S N 0.878 116.726 115.700 0.247 0.000 2.776 210 S HA 0.394 nan 4.470 nan 0.000 0.284 210 S C -2.292 172.441 174.600 0.220 0.000 1.160 210 S CA -1.405 56.942 58.200 0.245 0.000 1.051 210 S CB 1.499 64.974 63.200 0.459 0.000 1.037 210 S HN 0.099 8.631 8.310 0.370 0.000 0.485 211 I N 2.937 123.520 120.570 0.022 0.000 2.947 211 I HA 0.172 nan 4.170 nan 0.000 0.301 211 I C -2.724 172.937 176.117 -0.759 0.000 1.453 211 I CA -0.933 60.190 61.300 -0.294 0.000 0.984 211 I CB 4.070 42.012 38.000 -0.096 0.000 1.333 211 I HN -0.005 8.186 8.210 -0.032 0.000 0.475 212 N N 4.503 122.650 118.700 -0.921 0.000 2.555 212 N HA 0.002 nan 4.740 nan 0.000 0.244 212 N C 0.747 176.163 175.510 -0.157 0.000 1.114 212 N CA -0.897 51.722 53.050 -0.718 0.000 0.963 212 N CB -0.767 37.480 38.487 -0.399 0.000 1.276 212 N HN 0.517 8.491 8.380 -0.676 0.000 0.510 213 E N 6.061 126.201 120.200 -0.101 0.000 2.515 213 E HA -0.234 nan 4.350 nan 0.000 0.201 213 E C 1.617 178.098 176.600 -0.197 0.000 1.071 213 E CA 1.469 57.874 56.400 0.008 0.000 0.880 213 E CB -0.400 29.337 29.700 0.063 0.000 0.828 213 E HN -0.027 8.235 8.360 -0.164 0.000 0.540 214 G N -0.552 108.058 108.800 -0.317 0.000 2.559 214 G HA2 -0.165 nan 3.960 nan 0.000 0.216 214 G HA3 -0.165 nan 3.960 nan 0.000 0.216 214 G C 0.335 174.917 174.900 -0.529 0.000 1.126 214 G CA 1.196 46.045 45.100 -0.419 0.000 0.778 214 G HN -0.195 8.097 8.290 -0.322 -0.195 0.543 215 Y N -1.278 118.796 120.300 -0.378 0.000 2.658 215 Y HA 0.168 nan 4.550 nan 0.000 0.276 215 Y C 0.284 175.480 175.900 -1.174 0.000 1.167 215 Y CA -2.558 55.217 58.100 -0.541 0.000 1.230 215 Y CB -1.428 36.836 38.460 -0.326 0.000 1.144 215 Y HN -0.706 7.276 8.280 -0.397 0.060 0.529 216 A N 1.538 123.791 122.820 -0.944 0.000 1.958 216 A HA -0.430 nan 4.320 nan 0.000 0.221 216 A C 1.503 178.773 177.584 -0.523 0.000 1.178 216 A CA 3.771 55.257 52.037 -0.919 0.000 0.642 216 A CB -0.801 17.999 19.000 -0.333 0.000 0.816 216 A HN 0.011 7.637 8.150 -0.599 0.165 0.453 217 K N -2.226 117.981 120.400 -0.321 0.000 2.360 217 K HA -0.229 nan 4.320 nan 0.000 0.201 217 K C 0.960 177.495 176.600 -0.109 0.000 1.046 217 K CA 2.228 58.421 56.287 -0.157 0.000 0.945 217 K CB -0.172 32.266 32.500 -0.103 0.000 0.750 217 K HN 0.141 8.193 8.250 -0.310 0.012 0.464 218 E N -3.207 116.901 120.200 -0.153 0.000 2.583 218 E HA 0.032 nan 4.350 nan 0.000 0.213 218 E C -0.604 176.083 176.600 0.144 0.000 0.989 218 E CA -0.585 55.811 56.400 -0.007 0.000 0.991 218 E CB 1.262 30.972 29.700 0.016 0.000 1.040 218 E HN -0.314 7.661 8.360 -0.335 0.184 0.481 219 F N 0.290 120.239 119.950 -0.001 0.000 2.459 219 F HA -0.046 nan 4.527 nan 0.000 0.346 219 F C 1.022 176.799 175.800 -0.039 0.000 1.128 219 F CA -1.365 56.620 58.000 -0.025 0.000 1.268 219 F CB 0.516 39.497 39.000 -0.032 0.000 1.161 219 F HN -0.641 7.648 8.300 -0.019 0.000 0.583 220 D N 2.130 122.601 120.400 0.118 0.000 2.371 220 D HA 0.214 nan 4.640 nan 0.000 0.242 220 D C -0.911 175.345 176.300 -0.074 0.000 1.218 220 D CA -1.293 52.715 54.000 0.012 0.000 0.945 220 D CB -0.959 39.836 40.800 -0.008 0.000 1.137 220 D HN 0.074 8.497 8.370 0.088 0.000 0.464 221 P HA -0.206 nan 4.420 nan 0.000 0.217 221 P C 0.596 177.613 177.300 -0.472 0.000 1.150 221 P CA 2.610 65.592 63.100 -0.197 0.000 0.832 221 P CB -0.092 31.574 31.700 -0.056 0.000 0.787 222 A N -1.573 120.782 122.820 -0.776 0.000 1.858 222 A HA -0.233 nan 4.320 nan 0.000 0.216 222 A C 2.295 179.550 177.584 -0.548 0.000 1.190 222 A CA 3.017 54.492 52.037 -0.937 0.000 0.617 222 A CB -0.856 17.219 19.000 -1.542 0.000 0.827 222 A HN -0.509 7.290 8.150 -0.703 -0.071 0.443 223 I N -2.308 117.978 120.570 -0.474 0.000 2.127 223 I HA -0.560 nan 4.170 nan 0.000 0.241 223 I C 2.008 178.030 176.117 -0.157 0.000 1.075 223 I CA 3.224 64.346 61.300 -0.298 0.000 1.334 223 I CB -1.473 36.261 38.000 -0.444 0.000 1.040 223 I HN -0.005 8.204 8.210 -0.532 -0.318 0.405 224 T N 1.618 116.114 114.554 -0.096 0.000 2.699 224 T HA -0.420 nan 4.350 nan 0.000 0.268 224 T C 1.984 176.658 174.700 -0.044 0.000 1.036 224 T CA 5.159 67.262 62.100 0.005 0.000 1.147 224 T CB -0.716 68.172 68.868 0.034 0.000 0.862 224 T HN -0.284 7.890 8.240 -0.110 0.000 0.446 225 E N 1.335 121.484 120.200 -0.085 0.000 2.107 225 E HA -0.323 nan 4.350 nan 0.000 0.191 225 E C 1.698 178.257 176.600 -0.068 0.000 0.982 225 E CA 2.866 59.231 56.400 -0.058 0.000 0.809 225 E CB 0.019 29.698 29.700 -0.034 0.000 0.756 225 E HN -0.350 7.828 8.360 -0.150 0.092 0.459 226 Y N 0.724 120.905 120.300 -0.199 0.000 2.097 226 Y HA -0.419 nan 4.550 nan 0.000 0.282 226 Y C 2.088 177.830 175.900 -0.264 0.000 1.152 226 Y CA 3.369 61.339 58.100 -0.218 0.000 1.136 226 Y CB 0.001 38.323 38.460 -0.230 0.000 0.975 226 Y HN -0.084 8.104 8.280 -0.020 0.079 0.498 227 I N -2.123 118.230 120.570 -0.361 0.000 2.163 227 I HA -0.696 nan 4.170 nan 0.000 0.243 227 I C 2.121 178.006 176.117 -0.386 0.000 1.085 227 I CA 4.021 65.020 61.300 -0.500 0.000 1.347 227 I CB -0.382 37.486 38.000 -0.220 0.000 1.044 227 I HN 0.165 8.290 8.210 -0.141 0.000 0.408 228 Q N -1.885 117.811 119.800 -0.173 0.000 2.181 228 Q HA -0.348 nan 4.340 nan 0.000 0.205 228 Q C 2.381 178.358 176.000 -0.039 0.000 0.980 228 Q CA 2.811 58.603 55.803 -0.019 0.000 0.862 228 Q CB -0.844 27.887 28.738 -0.010 0.000 0.905 228 Q HN -0.459 7.730 8.270 -0.135 0.000 0.429 229 R N -2.507 117.871 120.500 -0.204 0.000 2.148 229 R HA -0.264 nan 4.340 nan 0.000 0.227 229 R C 0.679 176.773 176.300 -0.343 0.000 1.103 229 R CA 2.483 58.449 56.100 -0.224 0.000 0.983 229 R CB -0.083 30.059 30.300 -0.262 0.000 0.874 229 R HN -0.387 7.616 8.270 -0.255 0.114 0.451 230 K N -3.002 117.065 120.400 -0.555 0.000 2.167 230 K HA -0.063 nan 4.320 nan 0.000 0.203 230 K C 1.828 178.231 176.600 -0.328 0.000 1.052 230 K CA 1.691 57.597 56.287 -0.635 0.000 0.956 230 K CB 0.129 32.034 32.500 -0.992 0.000 0.735 230 K HN -0.383 7.335 8.250 -0.615 0.163 0.451 231 K N -1.329 118.898 120.400 -0.289 0.000 2.098 231 K HA -0.091 nan 4.320 nan 0.000 0.203 231 K C 1.165 177.435 176.600 -0.550 0.000 1.051 231 K CA 2.667 58.738 56.287 -0.362 0.000 0.957 231 K CB 0.896 33.169 32.500 -0.378 0.000 0.738 231 K HN -0.611 7.467 8.250 -0.287 0.000 0.447 232 F N -0.178 119.713 119.950 -0.097 0.000 2.366 232 F HA 0.343 nan 4.527 nan 0.000 0.357 232 F C -2.116 173.634 175.800 -0.083 0.000 1.107 232 F CA -3.224 54.736 58.000 -0.067 0.000 1.208 232 F CB 0.106 39.071 39.000 -0.058 0.000 1.464 232 F HN -0.260 8.115 8.300 0.124 0.000 0.501 233 P HA 0.260 nan 4.420 nan 0.000 0.276 233 P C -1.993 175.326 177.300 0.031 0.000 1.243 233 P CA -1.914 61.186 63.100 0.001 0.000 0.768 233 P CB -0.237 31.457 31.700 -0.011 0.000 0.856 234 P HA -0.242 nan 4.420 nan 0.000 0.216 234 P C -0.948 176.364 177.300 0.020 0.000 1.167 234 P CA 1.483 64.593 63.100 0.017 0.000 0.914 234 P CB 0.276 31.979 31.700 0.005 0.000 0.793 235 D N -2.339 118.072 120.400 0.018 0.000 2.348 235 D HA -0.111 nan 4.640 nan 0.000 0.253 235 D C -0.914 175.401 176.300 0.025 0.000 1.161 235 D CA -0.702 53.310 54.000 0.020 0.000 0.876 235 D CB 0.268 41.080 40.800 0.020 0.000 1.160 235 D HN 0.023 8.401 8.370 0.014 0.000 0.459 236 N N 2.812 121.527 118.700 0.026 0.000 2.874 236 N HA -0.216 nan 4.740 nan 0.000 0.316 236 N C -0.712 174.814 175.510 0.026 0.000 1.205 236 N CA 0.136 53.203 53.050 0.028 0.000 1.180 236 N CB -0.137 38.367 38.487 0.028 0.000 1.450 236 N HN 0.346 8.740 8.380 0.023 0.000 0.528 237 S N 0.812 116.530 115.700 0.030 0.000 2.694 237 S HA 0.164 nan 4.470 nan 0.000 0.278 237 S C -1.262 173.362 174.600 0.039 0.000 1.152 237 S CA -0.793 57.429 58.200 0.038 0.000 1.010 237 S CB 1.983 65.215 63.200 0.053 0.000 1.104 237 S HN 0.136 8.431 8.310 0.030 0.033 0.547 238 A N 0.775 123.625 122.820 0.049 0.000 2.401 238 A HA 0.272 nan 4.320 nan 0.000 0.259 238 A C -1.732 175.906 177.584 0.090 0.000 1.103 238 A CA -1.703 50.363 52.037 0.048 0.000 0.789 238 A CB -0.887 18.137 19.000 0.040 0.000 1.035 238 A HN 0.132 8.314 8.150 0.053 0.000 0.491 239 P HA 0.062 nan 4.420 nan 0.000 0.272 239 P C -1.528 175.924 177.300 0.254 0.000 1.240 239 P CA -0.531 62.623 63.100 0.090 0.000 0.791 239 P CB 0.576 32.258 31.700 -0.030 0.000 0.978 240 Y N -0.624 119.700 120.300 0.040 0.000 2.336 240 Y HA -0.076 nan 4.550 nan 0.000 0.331 240 Y C 1.032 177.023 175.900 0.152 0.000 1.211 240 Y CA 0.044 58.221 58.100 0.127 0.000 1.346 240 Y CB 0.706 39.302 38.460 0.227 0.000 1.271 240 Y HN -0.029 8.441 8.280 0.317 0.000 0.538 241 G N 0.443 109.363 108.800 0.200 0.000 2.572 241 G HA2 0.086 nan 3.960 nan 0.000 0.261 241 G HA3 0.086 nan 3.960 nan 0.000 0.261 241 G C -2.497 172.420 174.900 0.028 0.000 1.197 241 G CA -0.532 44.627 45.100 0.098 0.000 0.870 241 G HN 0.416 8.778 8.290 0.120 0.000 0.548 242 A N 0.784 123.544 122.820 -0.101 0.000 2.365 242 A HA 0.869 nan 4.320 nan 0.000 0.318 242 A C -1.425 176.064 177.584 -0.158 0.000 1.091 242 A CA -0.702 51.121 52.037 -0.357 0.000 0.763 242 A CB 2.137 20.853 19.000 -0.474 0.000 1.248 242 A HN 0.046 8.168 8.150 -0.047 0.000 0.442 243 R N 2.314 122.746 120.500 -0.114 0.000 2.626 243 R HA 0.241 nan 4.340 nan 0.000 0.274 243 R C -2.377 174.017 176.300 0.156 0.000 1.031 243 R CA -0.915 55.195 56.100 0.017 0.000 0.898 243 R CB 3.807 34.117 30.300 0.017 0.000 1.222 243 R HN 0.117 8.274 8.270 -0.187 0.000 0.455 244 Y N 1.002 121.308 120.300 0.010 0.000 2.472 244 Y HA 0.053 nan 4.550 nan 0.000 0.324 244 Y C -1.075 174.870 175.900 0.074 0.000 1.160 244 Y CA -0.036 58.110 58.100 0.076 0.000 1.381 244 Y CB 0.129 38.631 38.460 0.070 0.000 1.125 244 Y HN -0.255 8.109 8.280 0.140 0.000 0.541 245 V N 4.457 124.270 119.914 -0.167 0.000 2.469 245 V HA -0.245 nan 4.120 nan 0.000 0.251 245 V C 0.646 176.601 176.094 -0.231 0.000 1.064 245 V CA 2.213 64.423 62.300 -0.150 0.000 1.066 245 V CB -0.209 31.541 31.823 -0.123 0.000 0.667 245 V HN 0.437 8.797 8.190 -0.120 -0.242 0.461 246 G N -2.025 106.436 108.800 -0.565 0.000 2.141 246 G HA2 -0.393 nan 3.960 nan 0.000 0.242 246 G HA3 -0.393 nan 3.960 nan 0.000 0.242 246 G C -1.155 173.652 174.900 -0.155 0.000 0.982 246 G CA -0.115 44.756 45.100 -0.382 0.000 0.662 246 G HN -0.332 7.565 8.290 -0.931 -0.165 0.527 247 S N 0.283 115.874 115.700 -0.182 0.000 2.707 247 S HA 0.295 nan 4.470 nan 0.000 0.312 247 S C 0.050 174.545 174.600 -0.175 0.000 1.116 247 S CA -2.373 55.762 58.200 -0.108 0.000 1.078 247 S CB 0.733 63.882 63.200 -0.085 0.000 0.997 247 S HN -0.837 7.390 8.310 -0.257 -0.072 0.477 248 M N 7.697 127.214 119.600 -0.138 0.000 2.089 248 M HA -0.438 nan 4.480 nan 0.000 0.257 248 M C 0.520 176.581 176.300 -0.398 0.000 1.071 248 M CA 4.671 59.804 55.300 -0.277 0.000 1.096 248 M CB -0.006 32.517 32.600 -0.129 0.000 1.330 248 M HN 0.679 8.936 8.290 -0.054 0.000 0.403 249 V N -1.903 117.826 119.914 -0.309 0.000 2.332 249 V HA -0.454 nan 4.120 nan 0.000 0.248 249 V C 1.724 177.598 176.094 -0.366 0.000 1.055 249 V CA 3.962 66.004 62.300 -0.430 0.000 1.038 249 V CB -1.780 29.839 31.823 -0.340 0.000 0.651 249 V HN -0.211 7.991 8.190 -0.210 -0.138 0.450 250 A N -1.141 121.535 122.820 -0.241 0.000 1.898 250 A HA -0.296 nan 4.320 nan 0.000 0.216 250 A C 2.069 179.555 177.584 -0.163 0.000 1.181 250 A CA 3.311 55.258 52.037 -0.150 0.000 0.620 250 A CB -0.854 18.078 19.000 -0.114 0.000 0.819 250 A HN -0.440 7.566 8.150 -0.219 0.013 0.442 251 D N -0.874 119.358 120.400 -0.280 0.000 2.117 251 D HA -0.208 nan 4.640 nan 0.000 0.198 251 D C 2.612 178.696 176.300 -0.359 0.000 0.982 251 D CA 3.779 57.595 54.000 -0.306 0.000 0.828 251 D CB -0.012 40.525 40.800 -0.439 0.000 0.967 251 D HN -0.119 8.055 8.370 -0.325 0.000 0.464 252 V N 0.108 119.698 119.914 -0.539 0.000 2.427 252 V HA -0.355 nan 4.120 nan 0.000 0.248 252 V C 1.671 177.646 176.094 -0.198 0.000 1.051 252 V CA 4.542 66.601 62.300 -0.403 0.000 1.048 252 V CB -0.662 30.882 31.823 -0.465 0.000 0.666 252 V HN 0.637 8.336 8.190 -0.636 0.109 0.456 253 H N 0.403 119.314 119.070 -0.265 0.000 2.387 253 H HA -0.298 nan 4.556 nan 0.000 0.299 253 H C 1.813 177.138 175.328 -0.005 0.000 1.090 253 H CA 4.049 60.057 56.048 -0.067 0.000 1.332 253 H CB 0.196 29.940 29.762 -0.030 0.000 1.386 253 H HN 0.035 8.089 8.280 -0.205 0.102 0.516 254 R N -1.607 118.861 120.500 -0.054 0.000 2.092 254 R HA -0.293 nan 4.340 nan 0.000 0.231 254 R C 2.161 178.466 176.300 0.009 0.000 1.119 254 R CA 3.628 59.709 56.100 -0.032 0.000 0.970 254 R CB -0.119 30.178 30.300 -0.004 0.000 0.864 254 R HN -0.248 8.009 8.270 -0.022 0.000 0.440 255 T N 2.917 117.473 114.554 0.003 0.000 2.643 255 T HA -0.262 nan 4.350 nan 0.000 0.264 255 T C 2.369 177.075 174.700 0.011 0.000 1.045 255 T CA 4.523 66.653 62.100 0.051 0.000 1.155 255 T CB -0.571 68.337 68.868 0.066 0.000 0.863 255 T HN -0.415 7.717 8.240 -0.036 0.087 0.420 256 L N 0.887 122.085 121.223 -0.042 0.000 2.043 256 L HA -0.301 nan 4.340 nan 0.000 0.212 256 L C 1.275 178.095 176.870 -0.084 0.000 1.075 256 L CA 3.282 58.090 54.840 -0.054 0.000 0.752 256 L CB -0.171 41.858 42.059 -0.050 0.000 0.891 256 L HN -0.121 8.073 8.230 -0.061 0.000 0.432 257 V N -3.031 116.795 119.914 -0.148 0.000 2.535 257 V HA -0.215 nan 4.120 nan 0.000 0.246 257 V C 1.043 177.154 176.094 0.028 0.000 1.045 257 V CA 3.046 65.283 62.300 -0.105 0.000 1.058 257 V CB 0.033 31.730 31.823 -0.210 0.000 0.689 257 V HN -0.452 7.607 8.190 -0.218 0.000 0.461 258 Y N -2.512 117.735 120.300 -0.088 0.000 2.483 258 Y HA 0.097 nan 4.550 nan 0.000 0.258 258 Y C -1.131 174.745 175.900 -0.041 0.000 1.083 258 Y CA 0.169 58.235 58.100 -0.056 0.000 1.283 258 Y CB 3.773 42.205 38.460 -0.047 0.000 1.178 258 Y HN -0.045 8.194 8.280 0.104 0.103 0.515 259 G N -3.087 105.695 108.800 -0.031 0.000 2.663 259 G HA2 -0.356 nan 3.960 nan 0.000 0.686 259 G HA3 -0.356 nan 3.960 nan 0.000 0.686 259 G C -1.330 173.588 174.900 0.030 0.000 1.288 259 G CA -0.570 44.490 45.100 -0.066 0.000 0.836 259 G HN -0.403 7.804 8.290 0.046 0.111 0.584 260 G N -1.226 107.612 108.800 0.064 0.000 2.306 260 G HA2 -0.195 nan 3.960 nan 0.000 0.262 260 G HA3 -0.195 nan 3.960 nan 0.000 0.262 260 G C -2.834 172.199 174.900 0.221 0.000 1.263 260 G CA -0.350 44.850 45.100 0.168 0.000 1.088 260 G HN -0.022 8.296 8.290 0.046 0.000 0.489 261 I N -0.601 120.150 120.570 0.302 0.000 2.722 261 I HA 0.997 nan 4.170 nan 0.000 0.295 261 I C -3.001 173.325 176.117 0.348 0.000 1.161 261 I CA -2.530 58.943 61.300 0.289 0.000 1.032 261 I CB 3.745 41.918 38.000 0.288 0.000 1.244 261 I HN -0.155 8.262 8.210 0.344 0.000 0.421 262 F N 8.414 128.457 119.950 0.156 0.000 2.520 262 F HA 0.842 nan 4.527 nan 0.000 0.322 262 F C -2.652 173.240 175.800 0.153 0.000 1.103 262 F CA -2.362 55.739 58.000 0.169 0.000 0.926 262 F CB 4.129 43.208 39.000 0.133 0.000 1.154 262 F HN 0.682 9.183 8.300 0.336 0.000 0.453 263 M N 5.787 124.983 119.600 -0.674 0.000 2.386 263 M HA 0.478 nan 4.480 nan 0.000 0.293 263 M C -2.456 173.500 176.300 -0.574 0.000 1.120 263 M CA -0.572 54.434 55.300 -0.490 0.000 0.909 263 M CB 3.681 36.138 32.600 -0.239 0.000 1.661 263 M HN 0.695 8.531 8.290 -0.756 0.000 0.452 264 Y N 3.094 123.163 120.300 -0.384 0.000 2.544 264 Y HA 0.432 nan 4.550 nan 0.000 0.347 264 Y C -3.079 172.745 175.900 -0.127 0.000 1.089 264 Y CA -2.489 55.493 58.100 -0.197 0.000 1.230 264 Y CB 2.162 40.574 38.460 -0.080 0.000 1.101 264 Y HN 0.793 8.990 8.280 -0.138 0.000 0.641 265 P HA 0.153 nan 4.420 nan 0.000 0.277 265 P C -1.662 175.664 177.300 0.043 0.000 1.271 265 P CA -0.951 62.129 63.100 -0.033 0.000 0.795 265 P CB 1.040 32.648 31.700 -0.154 0.000 1.101 266 A N -2.320 120.524 122.820 0.040 0.000 2.351 266 A HA 0.095 nan 4.320 nan 0.000 0.257 266 A C -1.199 176.417 177.584 0.053 0.000 1.087 266 A CA 0.052 52.120 52.037 0.052 0.000 0.798 266 A CB 1.160 20.183 19.000 0.038 0.000 1.033 266 A HN 0.240 8.406 8.150 0.026 0.000 0.488 267 N N 0.574 119.298 118.700 0.039 0.000 2.829 267 N HA 0.174 nan 4.740 nan 0.000 0.198 267 N C -0.460 175.065 175.510 0.024 0.000 1.697 267 N CA 0.475 53.552 53.050 0.046 0.000 1.137 267 N CB 0.705 39.185 38.487 -0.011 0.000 2.368 267 N HN 0.098 8.384 8.380 0.028 0.110 0.325 268 K N 0.824 121.225 120.400 0.002 0.000 2.353 268 K HA 0.035 nan 4.320 nan 0.000 0.206 268 K C 0.797 177.400 176.600 0.006 0.000 1.191 268 K CA 0.409 56.703 56.287 0.012 0.000 0.897 268 K CB 1.178 33.691 32.500 0.021 0.000 1.283 268 K HN -0.048 8.187 8.250 -0.024 0.000 0.477 269 K N -0.879 119.517 120.400 -0.007 0.000 2.442 269 K HA -0.107 nan 4.320 nan 0.000 0.198 269 K C 0.029 176.630 176.600 0.002 0.000 1.042 269 K CA 1.486 57.777 56.287 0.007 0.000 0.958 269 K CB 0.511 33.025 32.500 0.023 0.000 0.766 269 K HN -0.199 8.232 8.250 -0.024 -0.196 0.474 270 S N -1.670 114.024 115.700 -0.009 0.000 2.413 270 S HA 0.425 nan 4.470 nan 0.000 0.170 270 S C -1.904 172.706 174.600 0.016 0.000 1.294 270 S CA -2.651 55.555 58.200 0.010 0.000 1.201 270 S CB 0.356 63.575 63.200 0.032 0.000 1.328 270 S HN -0.277 8.300 8.310 -0.025 -0.282 0.418 271 P HA -0.055 nan 4.420 nan 0.000 0.222 271 P C -0.122 177.188 177.300 0.016 0.000 1.147 271 P CA 1.618 64.728 63.100 0.018 0.000 0.790 271 P CB 0.238 31.948 31.700 0.015 0.000 0.780 272 K N -3.026 117.381 120.400 0.011 0.000 2.478 272 K HA 0.136 nan 4.320 nan 0.000 0.205 272 K C -0.766 175.837 176.600 0.004 0.000 1.033 272 K CA -0.633 55.657 56.287 0.004 0.000 1.091 272 K CB 0.474 32.972 32.500 -0.004 0.000 0.844 272 K HN -0.491 7.733 8.250 0.010 0.032 0.507 273 G N -0.215 108.600 108.800 0.026 0.000 2.707 273 G HA2 -0.341 nan 3.960 nan 0.000 0.686 273 G HA3 -0.341 nan 3.960 nan 0.000 0.686 273 G C -1.365 173.512 174.900 -0.039 0.000 1.315 273 G CA -0.353 44.773 45.100 0.042 0.000 0.832 273 G HN -0.508 7.615 8.290 0.034 0.188 0.573 274 K N -0.175 120.108 120.400 -0.195 0.000 2.262 274 K HA 0.061 nan 4.320 nan 0.000 0.200 274 K C 0.512 176.959 176.600 -0.255 0.000 1.058 274 K CA 0.631 56.758 56.287 -0.266 0.000 0.974 274 K CB 0.999 33.203 32.500 -0.493 0.000 0.910 274 K HN 0.295 8.361 8.250 -0.307 0.000 0.484 275 L N 0.397 121.420 121.223 -0.332 0.000 2.455 275 L HA -0.004 nan 4.340 nan 0.000 0.272 275 L C -0.415 176.373 176.870 -0.136 0.000 1.174 275 L CA 0.060 54.786 54.840 -0.191 0.000 0.869 275 L CB -0.222 41.755 42.059 -0.136 0.000 1.130 275 L HN -0.270 7.682 8.230 -0.463 0.000 0.474 276 R N 2.473 122.882 120.500 -0.151 0.000 2.543 276 R HA 0.023 nan 4.340 nan 0.000 0.277 276 R C 0.437 176.557 176.300 -0.300 0.000 1.074 276 R CA 0.080 56.020 56.100 -0.267 0.000 1.076 276 R CB -0.045 29.964 30.300 -0.485 0.000 0.993 276 R HN 0.405 8.929 8.270 -0.110 -0.320 0.459 277 L N 5.082 126.152 121.223 -0.256 0.000 2.023 277 L HA -0.168 nan 4.340 nan 0.000 0.205 277 L C 0.920 177.685 176.870 -0.175 0.000 1.073 277 L CA 3.651 58.392 54.840 -0.166 0.000 0.745 277 L CB 0.158 42.159 42.059 -0.098 0.000 0.900 277 L HN 0.597 8.579 8.230 -0.238 0.106 0.435 278 L N -3.035 118.033 121.223 -0.258 0.000 2.012 278 L HA -0.354 nan 4.340 nan 0.000 0.210 278 L C 0.794 177.638 176.870 -0.044 0.000 1.073 278 L CA 3.120 57.892 54.840 -0.113 0.000 0.748 278 L CB 0.053 42.092 42.059 -0.033 0.000 0.891 278 L HN -0.072 7.970 8.230 -0.315 0.000 0.431 279 Y N -11.104 109.214 120.300 0.030 0.000 2.584 279 Y HA 0.110 nan 4.550 nan 0.000 0.254 279 Y C -0.964 174.948 175.900 0.020 0.000 1.177 279 Y CA -1.736 56.379 58.100 0.024 0.000 1.216 279 Y CB -0.166 38.298 38.460 0.007 0.000 1.172 279 Y HN -0.415 7.216 8.280 -1.081 0.000 0.529 280 E N -1.514 118.687 120.200 0.001 0.000 3.454 280 E HA 0.079 nan 4.350 nan 0.000 0.208 280 E C 1.181 177.779 176.600 -0.003 0.000 1.153 280 E CA 1.016 57.431 56.400 0.024 0.000 1.553 280 E CB 2.073 31.782 29.700 0.015 0.000 1.423 280 E HN -0.627 7.656 8.360 -0.128 0.000 0.662 281 C N 1.142 120.423 119.300 -0.032 0.000 2.489 281 C HA -0.203 nan 4.460 nan 0.000 0.279 281 C C 1.649 176.652 174.990 0.022 0.000 1.266 281 C CA 4.962 63.981 59.018 0.002 0.000 1.707 281 C CB -0.884 26.847 27.740 -0.015 0.000 2.059 281 C HN 0.389 8.567 8.230 -0.087 0.000 0.481 282 N N 0.093 118.800 118.700 0.013 0.000 2.043 282 N HA -0.206 nan 4.740 nan 0.000 0.193 282 N C -1.037 174.508 175.510 0.057 0.000 1.037 282 N CA 4.931 58.010 53.050 0.047 0.000 0.851 282 N CB -1.585 36.938 38.487 0.061 0.000 1.027 282 N HN 0.279 8.542 8.380 -0.018 0.106 0.422 283 P HA -0.177 nan 4.420 nan 0.000 0.216 283 P C 1.259 178.601 177.300 0.069 0.000 1.150 283 P CA 3.165 66.259 63.100 -0.010 0.000 0.837 283 P CB -0.197 31.463 31.700 -0.067 0.000 0.786 284 M N -4.534 115.102 119.600 0.061 0.000 2.388 284 M HA -0.027 nan 4.480 nan 0.000 0.265 284 M C 1.943 178.295 176.300 0.088 0.000 1.088 284 M CA 1.311 56.653 55.300 0.070 0.000 1.134 284 M CB -1.281 31.322 32.600 0.005 0.000 1.384 284 M HN -0.756 7.542 8.290 0.038 0.014 0.447 285 A N 0.891 123.766 122.820 0.091 0.000 1.873 285 A HA -0.249 nan 4.320 nan 0.000 0.215 285 A C 1.659 179.299 177.584 0.093 0.000 1.186 285 A CA 3.211 55.298 52.037 0.084 0.000 0.616 285 A CB -1.061 17.987 19.000 0.080 0.000 0.823 285 A HN 0.159 8.275 8.150 0.084 0.085 0.442 286 Y N -0.640 119.666 120.300 0.009 0.000 2.097 286 Y HA -0.541 nan 4.550 nan 0.000 0.282 286 Y C 1.898 177.802 175.900 0.006 0.000 1.152 286 Y CA 4.603 62.706 58.100 0.004 0.000 1.136 286 Y CB 0.236 38.685 38.460 -0.017 0.000 0.975 286 Y HN 0.123 8.545 8.280 0.237 0.000 0.498 287 V N -0.523 119.493 119.914 0.170 0.000 2.252 287 V HA -0.585 nan 4.120 nan 0.000 0.249 287 V C 2.339 178.440 176.094 0.013 0.000 1.056 287 V CA 4.615 66.971 62.300 0.092 0.000 1.022 287 V CB -0.834 31.083 31.823 0.156 0.000 0.641 287 V HN -0.137 8.197 8.190 0.239 0.000 0.445 288 M N -2.342 117.276 119.600 0.031 0.000 2.108 288 M HA -0.461 nan 4.480 nan 0.000 0.261 288 M C 2.351 178.632 176.300 -0.032 0.000 1.066 288 M CA 2.549 57.855 55.300 0.010 0.000 1.107 288 M CB -1.381 31.238 32.600 0.033 0.000 1.356 288 M HN 0.008 8.225 8.290 0.062 0.110 0.406 289 E N -0.329 119.830 120.200 -0.069 0.000 2.051 289 E HA -0.352 nan 4.350 nan 0.000 0.192 289 E C 3.028 179.547 176.600 -0.135 0.000 0.991 289 E CA 3.220 59.559 56.400 -0.103 0.000 0.799 289 E CB -0.331 29.292 29.700 -0.129 0.000 0.748 289 E HN 0.238 8.562 8.360 -0.061 0.000 0.449 290 K N -1.715 118.561 120.400 -0.208 0.000 2.280 290 K HA -0.202 nan 4.320 nan 0.000 0.202 290 K C 1.650 178.197 176.600 -0.089 0.000 1.047 290 K CA 1.691 57.873 56.287 -0.175 0.000 0.942 290 K CB -0.608 31.762 32.500 -0.216 0.000 0.739 290 K HN -0.133 7.957 8.250 -0.267 0.000 0.457 291 A N -5.458 117.322 122.820 -0.066 0.000 2.251 291 A HA 0.120 nan 4.320 nan 0.000 0.209 291 A C -0.188 177.376 177.584 -0.034 0.000 1.187 291 A CA 0.053 52.066 52.037 -0.040 0.000 0.823 291 A CB 0.170 19.154 19.000 -0.026 0.000 0.846 291 A HN -0.540 7.427 8.150 -0.071 0.140 0.486 292 G N -3.383 105.394 108.800 -0.039 0.000 2.130 292 G HA2 -0.271 nan 3.960 nan 0.000 0.216 292 G HA3 -0.271 nan 3.960 nan 0.000 0.216 292 G C -0.656 174.233 174.900 -0.018 0.000 0.999 292 G CA -0.128 44.955 45.100 -0.028 0.000 0.686 292 G HN -0.098 7.975 8.290 -0.052 0.186 0.515 293 G N -1.283 107.508 108.800 -0.016 0.000 2.667 293 G HA2 0.776 nan 3.960 nan 0.000 0.310 293 G HA3 0.776 nan 3.960 nan 0.000 0.310 293 G C -1.950 172.948 174.900 -0.003 0.000 1.259 293 G CA -1.845 43.254 45.100 -0.001 0.000 1.019 293 G HN -0.279 7.903 8.290 -0.025 0.093 0.496 294 L N -1.921 119.307 121.223 0.008 0.000 2.319 294 L HA 0.450 nan 4.340 nan 0.000 0.267 294 L C -1.688 175.190 176.870 0.014 0.000 1.011 294 L CA -1.801 53.041 54.840 0.003 0.000 0.818 294 L CB 3.837 45.894 42.059 -0.003 0.000 1.316 294 L HN -0.296 7.945 8.230 0.018 0.000 0.432 295 A N -0.412 122.413 122.820 0.008 0.000 2.599 295 A HA 0.563 nan 4.320 nan 0.000 0.281 295 A C -2.042 175.540 177.584 -0.003 0.000 1.137 295 A CA -0.346 51.703 52.037 0.019 0.000 0.767 295 A CB 1.849 20.870 19.000 0.035 0.000 1.266 295 A HN 0.173 8.322 8.150 -0.001 0.000 0.420 296 T N 4.018 118.558 114.554 -0.024 0.000 2.940 296 T HA 0.670 nan 4.350 nan 0.000 0.288 296 T C -0.834 173.817 174.700 -0.082 0.000 1.045 296 T CA -1.893 60.170 62.100 -0.062 0.000 1.018 296 T CB 3.130 71.940 68.868 -0.097 0.000 1.151 296 T HN 0.483 8.712 8.240 -0.019 0.000 0.529 297 T N 3.669 118.152 114.554 -0.119 0.000 3.060 297 T HA 0.382 nan 4.350 nan 0.000 0.249 297 T C 0.123 174.663 174.700 -0.266 0.000 1.079 297 T CA -0.388 61.630 62.100 -0.135 0.000 1.013 297 T CB 0.519 69.323 68.868 -0.105 0.000 0.975 297 T HN 0.741 8.806 8.240 -0.120 0.103 0.518 298 G N 0.123 108.693 108.800 -0.383 0.000 2.493 298 G HA2 -0.236 nan 3.960 nan 0.000 0.206 298 G HA3 -0.236 nan 3.960 nan 0.000 0.206 298 G C 0.465 174.995 174.900 -0.617 0.000 1.109 298 G CA 0.840 45.434 45.100 -0.844 0.000 0.689 298 G HN -0.035 8.022 8.290 -0.278 0.066 0.516 299 K N 0.542 120.728 120.400 -0.357 0.000 2.287 299 K HA 0.119 nan 4.320 nan 0.000 0.199 299 K C -0.318 176.205 176.600 -0.129 0.000 1.061 299 K CA 0.600 56.766 56.287 -0.201 0.000 0.976 299 K CB 0.494 32.913 32.500 -0.135 0.000 0.898 299 K HN 0.171 8.153 8.250 -0.316 0.078 0.492 300 E N -3.846 116.282 120.200 -0.119 0.000 2.429 300 E HA 0.143 nan 4.350 nan 0.000 0.276 300 E C -1.993 174.569 176.600 -0.063 0.000 0.953 300 E CA -2.472 53.884 56.400 -0.074 0.000 0.787 300 E CB 2.943 32.611 29.700 -0.053 0.000 1.307 300 E HN -0.831 7.445 8.360 -0.140 0.000 0.458 301 A N -0.644 122.152 122.820 -0.039 0.000 2.488 301 A HA 0.053 nan 4.320 nan 0.000 0.249 301 A C 1.230 178.807 177.584 -0.011 0.000 1.083 301 A CA 0.468 52.492 52.037 -0.023 0.000 0.768 301 A CB 0.324 19.317 19.000 -0.011 0.000 1.017 301 A HN 0.441 8.571 8.150 -0.033 0.000 0.496 302 V N 4.377 124.290 119.914 -0.003 0.000 2.407 302 V HA -0.384 nan 4.120 nan 0.000 0.248 302 V C 1.925 178.037 176.094 0.030 0.000 1.055 302 V CA 4.041 66.347 62.300 0.009 0.000 1.049 302 V CB -0.553 31.282 31.823 0.020 0.000 0.662 302 V HN 0.258 8.446 8.190 -0.004 0.000 0.455 303 L N -3.231 118.021 121.223 0.047 0.000 2.275 303 L HA -0.319 nan 4.340 nan 0.000 0.215 303 L C 1.366 178.275 176.870 0.066 0.000 1.119 303 L CA 2.562 57.449 54.840 0.079 0.000 0.790 303 L CB -0.730 41.389 42.059 0.102 0.000 0.919 303 L HN -0.044 8.190 8.230 0.039 0.020 0.443 304 D N -2.729 117.692 120.400 0.036 0.000 2.347 304 D HA -0.099 nan 4.640 nan 0.000 0.213 304 D C 0.255 176.563 176.300 0.013 0.000 0.985 304 D CA 1.255 55.270 54.000 0.025 0.000 0.879 304 D CB 0.092 40.899 40.800 0.012 0.000 0.919 304 D HN -0.706 7.641 8.370 0.026 0.039 0.526 305 I N 1.284 121.860 120.570 0.010 0.000 2.618 305 I HA -0.232 nan 4.170 nan 0.000 0.284 305 I C -0.860 175.255 176.117 -0.004 0.000 1.146 305 I CA 0.759 62.057 61.300 -0.002 0.000 1.425 305 I CB 0.518 38.513 38.000 -0.008 0.000 1.383 305 I HN -0.917 7.257 8.210 0.015 0.045 0.562 306 V N 7.449 127.354 119.914 -0.015 0.000 2.348 306 V HA 0.164 nan 4.120 nan 0.000 0.270 306 V C -1.219 174.856 176.094 -0.033 0.000 1.037 306 V CA -3.215 59.069 62.300 -0.027 0.000 0.872 306 V CB -0.305 31.500 31.823 -0.029 0.000 1.002 306 V HN 0.188 8.368 8.190 -0.016 0.000 0.464 307 P HA 0.117 nan 4.420 nan 0.000 0.268 307 P C -1.208 176.065 177.300 -0.045 0.000 1.208 307 P CA 0.853 63.926 63.100 -0.044 0.000 0.777 307 P CB 0.568 32.236 31.700 -0.052 0.000 0.875 308 T N 0.917 115.448 114.554 -0.039 0.000 3.009 308 T HA 0.204 nan 4.350 nan 0.000 0.267 308 T C -1.083 173.597 174.700 -0.034 0.000 0.942 308 T CA 0.127 62.207 62.100 -0.033 0.000 0.883 308 T CB 1.494 70.348 68.868 -0.024 0.000 1.192 308 T HN 0.358 8.866 8.240 -0.039 -0.291 0.524 309 D N 0.002 120.378 120.400 -0.040 0.000 2.947 309 D HA 0.317 nan 4.640 nan 0.000 0.224 309 D C 0.956 177.209 176.300 -0.078 0.000 1.230 309 D CA -1.287 52.687 54.000 -0.044 0.000 0.871 309 D CB 2.598 43.390 40.800 -0.014 0.000 1.671 309 D HN -0.724 7.769 8.370 -0.044 -0.149 0.507 310 I N -1.677 118.810 120.570 -0.138 0.000 2.394 310 I HA -0.183 nan 4.170 nan 0.000 0.251 310 I C -0.348 175.614 176.117 -0.259 0.000 1.136 310 I CA 1.800 62.971 61.300 -0.216 0.000 1.425 310 I CB -0.028 37.791 38.000 -0.301 0.000 1.079 310 I HN 0.299 8.430 8.210 -0.132 0.000 0.425 311 H N -2.820 116.274 119.070 0.040 0.000 2.519 311 H HA 0.215 nan 4.556 nan 0.000 0.289 311 H C -0.558 174.743 175.328 -0.045 0.000 1.040 311 H CA -1.532 54.538 56.048 0.036 0.000 1.165 311 H CB -1.101 28.712 29.762 0.085 0.000 1.462 311 H HN -0.706 7.737 8.280 -0.141 -0.247 0.555 312 Q N 1.157 120.955 119.800 -0.004 0.000 2.386 312 Q HA -0.179 nan 4.340 nan 0.000 0.282 312 Q C -0.676 175.286 176.000 -0.063 0.000 1.050 312 Q CA 0.792 56.579 55.803 -0.028 0.000 0.918 312 Q CB 1.004 29.714 28.738 -0.046 0.000 1.266 312 Q HN -0.722 7.340 8.270 -0.046 0.181 0.423 313 R N 2.480 122.952 120.500 -0.046 0.000 2.758 313 R HA 0.745 nan 4.340 nan 0.000 0.265 313 R C -1.236 175.032 176.300 -0.053 0.000 1.016 313 R CA -1.221 54.842 56.100 -0.062 0.000 1.040 313 R CB 1.885 32.157 30.300 -0.045 0.000 1.152 313 R HN 0.170 8.424 8.270 -0.027 0.000 0.503 314 A N 0.971 123.757 122.820 -0.056 0.000 2.577 314 A HA 0.393 nan 4.320 nan 0.000 0.297 314 A C -3.749 173.821 177.584 -0.023 0.000 1.060 314 A CA -1.807 50.207 52.037 -0.038 0.000 0.697 314 A CB 2.019 20.995 19.000 -0.040 0.000 1.281 314 A HN 0.663 8.771 8.150 -0.070 0.000 0.402 315 P HA 0.155 nan 4.420 nan 0.000 0.271 315 P C -1.834 175.469 177.300 0.004 0.000 1.218 315 P CA -0.071 63.035 63.100 0.010 0.000 0.780 315 P CB 0.538 32.226 31.700 -0.020 0.000 0.901 316 I N 2.477 123.069 120.570 0.036 0.000 2.692 316 I HA 0.402 nan 4.170 nan 0.000 0.293 316 I C -2.337 173.795 176.117 0.025 0.000 1.200 316 I CA -0.954 60.370 61.300 0.041 0.000 1.036 316 I CB 4.275 42.333 38.000 0.096 0.000 1.258 316 I HN 0.086 8.339 8.210 0.071 0.000 0.421 317 I N 6.696 127.274 120.570 0.013 0.000 2.548 317 I HA 0.773 nan 4.170 nan 0.000 0.287 317 I C -2.265 173.882 176.117 0.049 0.000 1.103 317 I CA -0.817 60.482 61.300 -0.002 0.000 1.049 317 I CB 2.474 40.437 38.000 -0.062 0.000 1.232 317 I HN 0.436 8.652 8.210 0.011 0.000 0.429 318 L N 1.508 122.804 121.223 0.121 0.000 2.479 318 L HA 0.968 nan 4.340 nan 0.000 0.255 318 L C -1.643 175.314 176.870 0.144 0.000 1.026 318 L CA -1.684 53.230 54.840 0.124 0.000 0.842 318 L CB 2.980 45.129 42.059 0.150 0.000 1.444 318 L HN 0.699 9.025 8.230 0.160 0.000 0.409 319 G N -2.530 106.330 108.800 0.101 0.000 2.332 319 G HA2 -0.087 nan 3.960 nan 0.000 0.265 319 G HA3 -0.087 nan 3.960 nan 0.000 0.265 319 G C -1.846 173.095 174.900 0.069 0.000 1.329 319 G CA 0.320 45.482 45.100 0.104 0.000 0.949 319 G HN -0.010 8.324 8.290 0.073 0.000 0.476 320 S N 2.120 117.863 115.700 0.073 0.000 2.552 320 S HA 0.125 nan 4.470 nan 0.000 0.289 320 S C -0.349 174.279 174.600 0.047 0.000 1.304 320 S CA 0.005 58.235 58.200 0.050 0.000 1.063 320 S CB -0.641 62.592 63.200 0.056 0.000 0.848 320 S HN 0.116 8.483 8.310 0.095 0.000 0.499 321 P HA -0.199 nan 4.420 nan 0.000 0.215 321 P C 1.748 179.065 177.300 0.028 0.000 1.157 321 P CA 2.621 65.733 63.100 0.020 0.000 0.874 321 P CB 0.275 31.982 31.700 0.010 0.000 0.790 322 E N -0.807 119.417 120.200 0.041 0.000 2.058 322 E HA -0.405 nan 4.350 nan 0.000 0.194 322 E C 2.331 178.976 176.600 0.076 0.000 0.997 322 E CA 3.552 59.985 56.400 0.055 0.000 0.801 322 E CB -0.561 29.178 29.700 0.064 0.000 0.746 322 E HN -0.441 7.942 8.360 0.038 0.000 0.450 323 D N -0.517 119.950 120.400 0.111 0.000 2.097 323 D HA -0.235 nan 4.640 nan 0.000 0.195 323 D C 2.532 178.840 176.300 0.013 0.000 0.989 323 D CA 3.269 57.360 54.000 0.152 0.000 0.827 323 D CB -0.196 40.755 40.800 0.253 0.000 0.966 323 D HN -0.282 8.153 8.370 0.110 0.000 0.456 324 V N -0.103 119.810 119.914 -0.002 0.000 2.427 324 V HA -0.352 nan 4.120 nan 0.000 0.248 324 V C 2.356 178.410 176.094 -0.067 0.000 1.051 324 V CA 4.356 66.618 62.300 -0.063 0.000 1.048 324 V CB -0.963 30.846 31.823 -0.022 0.000 0.666 324 V HN 0.111 8.322 8.190 0.036 0.000 0.456 325 T N 2.429 116.969 114.554 -0.023 0.000 2.674 325 T HA -0.414 nan 4.350 nan 0.000 0.265 325 T C 1.264 175.956 174.700 -0.013 0.000 1.039 325 T CA 5.152 67.246 62.100 -0.011 0.000 1.150 325 T CB -0.615 68.258 68.868 0.008 0.000 0.864 325 T HN 0.379 8.618 8.240 -0.002 0.000 0.427 326 E N 1.902 122.102 120.200 -0.001 0.000 2.086 326 E HA -0.399 nan 4.350 nan 0.000 0.200 326 E C 1.982 178.560 176.600 -0.036 0.000 1.012 326 E CA 3.164 59.577 56.400 0.022 0.000 0.812 326 E CB -0.126 29.631 29.700 0.095 0.000 0.743 326 E HN -0.228 8.141 8.360 0.015 0.000 0.453 327 L N -0.623 120.470 121.223 -0.216 0.000 2.056 327 L HA -0.238 nan 4.340 nan 0.000 0.207 327 L C 1.659 178.501 176.870 -0.045 0.000 1.078 327 L CA 2.879 57.514 54.840 -0.342 0.000 0.749 327 L CB -0.186 41.456 42.059 -0.694 0.000 0.901 327 L HN -0.545 7.533 8.230 -0.248 0.003 0.433 328 L N -1.919 119.301 121.223 -0.005 0.000 2.131 328 L HA -0.512 nan 4.340 nan 0.000 0.210 328 L C 2.138 179.059 176.870 0.086 0.000 1.092 328 L CA 3.280 58.162 54.840 0.069 0.000 0.759 328 L CB -0.673 41.385 42.059 -0.002 0.000 0.903 328 L HN 0.118 8.235 8.230 -0.060 0.077 0.435 329 E N -0.217 120.012 120.200 0.048 0.000 2.051 329 E HA -0.370 nan 4.350 nan 0.000 0.192 329 E C 2.552 179.196 176.600 0.073 0.000 0.991 329 E CA 3.342 59.774 56.400 0.053 0.000 0.799 329 E CB -0.187 29.537 29.700 0.039 0.000 0.748 329 E HN 0.105 8.370 8.360 0.023 0.108 0.449 330 I N -0.367 120.235 120.570 0.053 0.000 2.286 330 I HA -0.525 nan 4.170 nan 0.000 0.248 330 I C 1.832 177.970 176.117 0.035 0.000 1.115 330 I CA 3.892 65.217 61.300 0.041 0.000 1.392 330 I CB -0.333 37.641 38.000 -0.044 0.000 1.065 330 I HN -0.643 7.509 8.210 0.032 0.078 0.418 331 Y N -1.151 119.135 120.300 -0.024 0.000 2.145 331 Y HA -0.544 nan 4.550 nan 0.000 0.286 331 Y C 3.015 178.942 175.900 0.045 0.000 1.145 331 Y CA 4.407 62.489 58.100 -0.031 0.000 1.148 331 Y CB -0.401 38.019 38.460 -0.065 0.000 0.981 331 Y HN -0.487 7.780 8.280 0.151 0.104 0.507 332 Q N -1.054 118.866 119.800 0.199 0.000 2.112 332 Q HA -0.475 nan 4.340 nan 0.000 0.206 332 Q C 1.993 178.063 176.000 0.116 0.000 0.987 332 Q CA 3.226 59.104 55.803 0.126 0.000 0.858 332 Q CB -0.234 28.552 28.738 0.080 0.000 0.905 332 Q HN -0.258 8.128 8.270 0.193 0.000 0.420 333 K N -0.465 120.012 120.400 0.130 0.000 2.160 333 K HA -0.296 nan 4.320 nan 0.000 0.206 333 K C 1.139 177.769 176.600 0.051 0.000 1.047 333 K CA 2.399 58.739 56.287 0.089 0.000 0.930 333 K CB 0.077 32.644 32.500 0.112 0.000 0.720 333 K HN -0.335 7.996 8.250 0.134 -0.001 0.450 334 H N -1.688 117.379 119.070 -0.005 0.000 2.577 334 H HA 0.088 nan 4.556 nan 0.000 0.306 334 H C -1.683 173.658 175.328 0.021 0.000 1.109 334 H CA -0.820 55.223 56.048 -0.009 0.000 1.063 334 H CB -0.875 28.860 29.762 -0.045 0.000 1.535 334 H HN -0.514 7.821 8.280 0.350 0.155 0.532 335 A N 0.000 122.886 122.820 0.109 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.086 52.037 0.082 0.000 0.836 335 A CB 0.000 19.054 19.000 0.090 0.000 0.831 335 A HN 0.000 8.127 8.150 0.078 0.070 0.486