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 1frp_1_B DATA FIRST_RESID 9 DATA SEQUENCE NIVTLTRFVM EQGRKARGTG EMTQLLNSLC TAVKAISTAV RKAGIAHLYG DATA SEQUENCE IAGATXXXXX XVKKLDVLSN 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 0.000 175.536 175.510 0.043 0.000 1.280 9 N CA 0.000 53.071 53.050 0.035 0.000 0.885 9 N CB 0.000 38.505 38.487 0.030 0.000 1.341 10 I N 2.608 123.207 120.570 0.048 0.000 2.396 10 I HA 0.223 nan 4.170 nan 0.000 0.292 10 I C -1.634 174.533 176.117 0.085 0.000 0.999 10 I CA -0.481 60.855 61.300 0.060 0.000 1.310 10 I CB 1.103 39.134 38.000 0.052 0.000 1.404 10 I HN -0.491 7.747 8.210 0.046 0.000 0.496 11 V N 7.586 127.569 119.914 0.115 0.000 2.370 11 V HA 0.265 nan 4.120 nan 0.000 0.283 11 V C -0.927 175.296 176.094 0.215 0.000 1.023 11 V CA -1.023 61.380 62.300 0.171 0.000 0.857 11 V CB 1.149 33.102 31.823 0.218 0.000 0.985 11 V HN 0.391 8.643 8.190 0.104 0.000 0.443 12 T N 3.655 118.325 114.554 0.193 0.000 2.902 12 T HA 0.504 nan 4.350 nan 0.000 0.280 12 T C 0.550 175.371 174.700 0.202 0.000 0.992 12 T CA -1.091 61.126 62.100 0.195 0.000 1.015 12 T CB 1.971 70.911 68.868 0.120 0.000 1.044 12 T HN 0.039 8.373 8.240 0.157 0.000 0.520 13 L N 1.362 122.620 121.223 0.057 0.000 2.083 13 L HA -0.254 nan 4.340 nan 0.000 0.209 13 L C 1.109 177.951 176.870 -0.047 0.000 1.083 13 L CA 3.625 58.300 54.840 -0.277 0.000 0.752 13 L CB -0.153 41.565 42.059 -0.568 0.000 0.899 13 L HN 0.254 8.556 8.230 0.121 0.000 0.433 14 T N 0.245 114.803 114.554 0.007 0.000 2.746 14 T HA -0.395 nan 4.350 nan 0.000 0.267 14 T C 2.025 176.745 174.700 0.034 0.000 1.039 14 T CA 4.797 66.903 62.100 0.011 0.000 1.142 14 T CB -0.691 68.187 68.868 0.016 0.000 0.866 14 T HN 0.153 8.409 8.240 0.028 0.000 0.444 15 R N 2.237 122.781 120.500 0.073 0.000 2.066 15 R HA -0.260 nan 4.340 nan 0.000 0.232 15 R C 1.516 177.865 176.300 0.082 0.000 1.131 15 R CA 2.804 58.947 56.100 0.072 0.000 0.955 15 R CB -0.412 29.943 30.300 0.093 0.000 0.851 15 R HN -0.610 7.713 8.270 0.088 0.000 0.432 16 F N 0.073 120.042 119.950 0.032 0.000 2.095 16 F HA -0.384 nan 4.527 nan 0.000 0.298 16 F C 1.798 177.602 175.800 0.006 0.000 1.104 16 F CA 3.935 61.967 58.000 0.054 0.000 1.232 16 F CB 0.130 39.222 39.000 0.152 0.000 0.987 16 F HN -0.044 8.441 8.300 0.307 0.000 0.475 17 V N -0.654 119.286 119.914 0.042 0.000 2.358 17 V HA -0.508 nan 4.120 nan 0.000 0.246 17 V C 1.752 177.781 176.094 -0.108 0.000 1.047 17 V CA 4.631 66.904 62.300 -0.044 0.000 1.035 17 V CB -0.797 31.021 31.823 -0.009 0.000 0.658 17 V HN 0.105 8.386 8.190 0.152 0.000 0.452 18 M N -0.285 119.271 119.600 -0.074 0.000 2.099 18 M HA -0.374 nan 4.480 nan 0.000 0.262 18 M C 1.527 177.773 176.300 -0.090 0.000 1.067 18 M CA 3.097 58.358 55.300 -0.065 0.000 1.124 18 M CB -0.448 32.130 32.600 -0.037 0.000 1.353 18 M HN -0.573 7.692 8.290 -0.042 0.000 0.410 19 E N -1.251 118.878 120.200 -0.117 0.000 2.085 19 E HA -0.396 nan 4.350 nan 0.000 0.194 19 E C 2.838 179.334 176.600 -0.174 0.000 0.994 19 E CA 3.269 59.589 56.400 -0.134 0.000 0.801 19 E CB -0.769 28.841 29.700 -0.150 0.000 0.743 19 E HN -0.116 8.182 8.360 -0.104 0.000 0.453 20 Q N -1.651 117.988 119.800 -0.268 0.000 2.119 20 Q HA -0.149 nan 4.340 nan 0.000 0.201 20 Q C 2.861 178.787 176.000 -0.123 0.000 0.972 20 Q CA 2.416 58.076 55.803 -0.238 0.000 0.847 20 Q CB -0.171 28.369 28.738 -0.329 0.000 0.903 20 Q HN -0.116 7.945 8.270 -0.348 0.000 0.433 21 G N -1.237 107.502 108.800 -0.101 0.000 2.432 21 G HA2 -0.343 nan 3.960 nan 0.000 0.219 21 G HA3 -0.343 nan 3.960 nan 0.000 0.219 21 G C 1.125 176.000 174.900 -0.041 0.000 1.135 21 G CA 1.719 46.785 45.100 -0.056 0.000 0.767 21 G HN 0.295 8.512 8.290 -0.121 0.000 0.550 22 R N 1.231 121.700 120.500 -0.051 0.000 2.062 22 R HA -0.186 nan 4.340 nan 0.000 0.226 22 R C 3.143 179.423 176.300 -0.033 0.000 1.125 22 R CA 3.218 59.296 56.100 -0.037 0.000 0.966 22 R CB 0.031 30.308 30.300 -0.038 0.000 0.861 22 R HN -0.118 8.012 8.270 -0.069 0.099 0.433 23 K N 0.339 120.711 120.400 -0.046 0.000 2.211 23 K HA -0.276 nan 4.320 nan 0.000 0.204 23 K C 1.994 178.581 176.600 -0.021 0.000 1.047 23 K CA 2.834 59.100 56.287 -0.035 0.000 0.935 23 K CB -0.202 32.271 32.500 -0.046 0.000 0.728 23 K HN -0.093 8.118 8.250 -0.065 0.000 0.452 24 A N -3.537 119.271 122.820 -0.021 0.000 2.238 24 A HA 0.043 nan 4.320 nan 0.000 0.210 24 A C -0.582 177.004 177.584 0.004 0.000 1.179 24 A CA -0.386 51.649 52.037 -0.003 0.000 0.827 24 A CB -0.071 18.930 19.000 0.001 0.000 0.856 24 A HN -0.514 7.601 8.150 -0.033 0.015 0.488 25 R N -3.700 116.799 120.500 -0.002 0.000 3.422 25 R HA -0.325 nan 4.340 nan 0.000 0.267 25 R C 0.197 176.504 176.300 0.012 0.000 1.074 25 R CA -0.165 55.937 56.100 0.003 0.000 0.718 25 R CB -2.354 27.948 30.300 0.005 0.000 1.157 25 R HN -0.258 7.805 8.270 -0.011 0.200 0.440 26 G N -1.576 107.233 108.800 0.014 0.000 2.606 26 G HA2 0.026 nan 3.960 nan 0.000 0.252 26 G HA3 0.026 nan 3.960 nan 0.000 0.252 26 G C 0.111 175.027 174.900 0.026 0.000 1.206 26 G CA -0.719 44.399 45.100 0.031 0.000 0.861 26 G HN -0.254 8.039 8.290 0.004 0.000 0.561 27 T N -5.540 109.037 114.554 0.039 0.000 3.072 27 T HA -0.124 nan 4.350 nan 0.000 0.266 27 T C 0.987 175.703 174.700 0.026 0.000 1.127 27 T CA 0.796 62.914 62.100 0.030 0.000 1.107 27 T CB -0.333 68.557 68.868 0.037 0.000 0.910 27 T HN 0.365 8.638 8.240 0.055 0.000 0.513 28 G N 1.074 109.891 108.800 0.029 0.000 2.163 28 G HA2 -0.280 nan 3.960 nan 0.000 0.213 28 G HA3 -0.280 nan 3.960 nan 0.000 0.213 28 G C 0.268 175.186 174.900 0.029 0.000 0.991 28 G CA -0.058 45.051 45.100 0.015 0.000 0.653 28 G HN -0.224 8.054 8.290 0.041 0.037 0.518 29 E N 0.764 121.007 120.200 0.072 0.000 2.076 29 E HA -0.193 nan 4.350 nan 0.000 0.190 29 E C 0.962 177.602 176.600 0.066 0.000 0.979 29 E CA 2.244 58.712 56.400 0.113 0.000 0.807 29 E CB -0.022 29.796 29.700 0.197 0.000 0.761 29 E HN -0.215 8.199 8.360 0.089 0.000 0.454 30 M N -1.277 118.342 119.600 0.032 0.000 2.159 30 M HA -0.262 nan 4.480 nan 0.000 0.263 30 M C 1.366 177.571 176.300 -0.158 0.000 1.063 30 M CA 3.947 59.118 55.300 -0.214 0.000 1.110 30 M CB -0.479 31.999 32.600 -0.202 0.000 1.374 30 M HN 0.284 8.652 8.290 0.131 0.000 0.411 31 T N 0.889 115.394 114.554 -0.080 0.000 2.720 31 T HA -0.396 nan 4.350 nan 0.000 0.268 31 T C 2.333 176.989 174.700 -0.073 0.000 1.037 31 T CA 4.501 66.557 62.100 -0.073 0.000 1.144 31 T CB -0.793 68.046 68.868 -0.047 0.000 0.864 31 T HN -0.004 8.208 8.240 -0.046 0.000 0.444 32 Q N 1.655 121.426 119.800 -0.048 0.000 2.084 32 Q HA -0.272 nan 4.340 nan 0.000 0.202 32 Q C 1.768 177.730 176.000 -0.063 0.000 0.978 32 Q CA 3.110 58.893 55.803 -0.034 0.000 0.844 32 Q CB -0.393 28.349 28.738 0.008 0.000 0.898 32 Q HN -0.447 7.805 8.270 -0.030 0.000 0.426 33 L N 0.075 121.240 121.223 -0.096 0.000 1.994 33 L HA -0.303 nan 4.340 nan 0.000 0.208 33 L C 1.737 178.490 176.870 -0.194 0.000 1.071 33 L CA 3.314 58.067 54.840 -0.146 0.000 0.745 33 L CB -0.316 41.610 42.059 -0.222 0.000 0.892 33 L HN -0.390 7.786 8.230 -0.090 0.000 0.431 34 L N -2.855 118.244 121.223 -0.206 0.000 2.131 34 L HA -0.540 nan 4.340 nan 0.000 0.210 34 L C 2.158 178.909 176.870 -0.197 0.000 1.092 34 L CA 3.385 58.087 54.840 -0.230 0.000 0.759 34 L CB -0.924 41.023 42.059 -0.187 0.000 0.903 34 L HN -0.003 8.110 8.230 -0.196 0.000 0.435 35 N N -0.084 118.534 118.700 -0.136 0.000 2.142 35 N HA -0.323 nan 4.740 nan 0.000 0.186 35 N C 2.563 178.013 175.510 -0.101 0.000 1.023 35 N CA 3.362 56.351 53.050 -0.101 0.000 0.852 35 N CB -0.020 38.429 38.487 -0.063 0.000 0.998 35 N HN -0.032 8.184 8.380 -0.120 0.091 0.424 36 S N 1.355 116.991 115.700 -0.106 0.000 2.399 36 S HA -0.295 nan 4.470 nan 0.000 0.231 36 S C 1.767 176.277 174.600 -0.151 0.000 1.022 36 S CA 3.888 62.025 58.200 -0.105 0.000 0.983 36 S CB -0.274 62.870 63.200 -0.093 0.000 0.803 36 S HN 0.059 8.309 8.310 -0.101 0.000 0.480 37 L N 1.730 122.819 121.223 -0.223 0.000 2.027 37 L HA -0.193 nan 4.340 nan 0.000 0.206 37 L C 1.445 178.176 176.870 -0.232 0.000 1.074 37 L CA 3.176 57.828 54.840 -0.313 0.000 0.745 37 L CB -0.652 41.108 42.059 -0.497 0.000 0.898 37 L HN -0.196 7.792 8.230 -0.229 0.104 0.433 38 C N -0.855 118.329 119.300 -0.193 0.000 2.429 38 C HA -0.443 nan 4.460 nan 0.000 0.277 38 C C 1.905 176.925 174.990 0.048 0.000 1.262 38 C CA 4.153 63.126 59.018 -0.074 0.000 1.733 38 C CB -1.585 26.106 27.740 -0.082 0.000 2.010 38 C HN -0.027 8.073 8.230 -0.217 0.000 0.483 39 T N 1.964 116.512 114.554 -0.009 0.000 2.788 39 T HA -0.370 nan 4.350 nan 0.000 0.268 39 T C 1.871 176.564 174.700 -0.011 0.000 1.044 39 T CA 5.168 67.267 62.100 -0.003 0.000 1.139 39 T CB -0.516 68.336 68.868 -0.027 0.000 0.867 39 T HN -0.256 7.955 8.240 -0.047 0.000 0.454 40 A N 1.001 123.793 122.820 -0.047 0.000 1.898 40 A HA -0.160 nan 4.320 nan 0.000 0.216 40 A C 1.762 179.346 177.584 0.000 0.000 1.181 40 A CA 3.201 55.205 52.037 -0.057 0.000 0.620 40 A CB -0.784 18.142 19.000 -0.124 0.000 0.819 40 A HN -0.196 7.824 8.150 -0.078 0.082 0.442 41 V N -0.756 119.192 119.914 0.056 0.000 2.407 41 V HA -0.511 nan 4.120 nan 0.000 0.248 41 V C 2.320 178.537 176.094 0.206 0.000 1.055 41 V CA 4.662 67.081 62.300 0.199 0.000 1.049 41 V CB -1.077 30.881 31.823 0.226 0.000 0.662 41 V HN -0.001 8.195 8.190 0.010 0.000 0.455 42 K N -0.976 119.517 120.400 0.154 0.000 2.057 42 K HA -0.336 nan 4.320 nan 0.000 0.206 42 K C 2.028 178.615 176.600 -0.022 0.000 1.050 42 K CA 3.623 59.937 56.287 0.046 0.000 0.935 42 K CB -0.269 32.230 32.500 -0.001 0.000 0.715 42 K HN -0.375 7.974 8.250 0.165 0.000 0.439 43 A N -0.479 122.326 122.820 -0.024 0.000 1.930 43 A HA -0.189 nan 4.320 nan 0.000 0.217 43 A C 2.276 179.804 177.584 -0.092 0.000 1.175 43 A CA 2.952 54.957 52.037 -0.053 0.000 0.627 43 A CB -0.760 18.213 19.000 -0.045 0.000 0.815 43 A HN -0.426 7.721 8.150 -0.004 0.000 0.443 44 I N -2.297 118.205 120.570 -0.113 0.000 2.286 44 I HA -0.547 nan 4.170 nan 0.000 0.245 44 I C 1.659 177.514 176.117 -0.437 0.000 1.104 44 I CA 4.007 65.174 61.300 -0.221 0.000 1.397 44 I CB -0.134 37.768 38.000 -0.162 0.000 1.072 44 I HN -0.166 8.010 8.210 -0.058 0.000 0.417 45 S N -0.543 114.883 115.700 -0.458 0.000 2.370 45 S HA -0.420 nan 4.470 nan 0.000 0.226 45 S C 1.967 176.421 174.600 -0.243 0.000 1.033 45 S CA 4.565 62.484 58.200 -0.469 0.000 1.011 45 S CB -0.112 63.022 63.200 -0.110 0.000 0.852 45 S HN 0.045 8.205 8.310 -0.251 0.000 0.457 46 T N 3.688 118.150 114.554 -0.154 0.000 2.746 46 T HA -0.332 nan 4.350 nan 0.000 0.267 46 T C 1.551 176.193 174.700 -0.096 0.000 1.039 46 T CA 4.760 66.800 62.100 -0.100 0.000 1.142 46 T CB -0.535 68.288 68.868 -0.075 0.000 0.866 46 T HN -0.439 7.718 8.240 -0.140 0.000 0.444 47 A N 0.283 123.035 122.820 -0.113 0.000 1.969 47 A HA -0.110 nan 4.320 nan 0.000 0.218 47 A C 2.534 180.062 177.584 -0.093 0.000 1.169 47 A CA 2.867 54.853 52.037 -0.086 0.000 0.635 47 A CB -0.783 18.167 19.000 -0.082 0.000 0.810 47 A HN -0.460 7.609 8.150 -0.136 0.000 0.445 48 V N -0.413 119.405 119.914 -0.159 0.000 2.427 48 V HA -0.320 nan 4.120 nan 0.000 0.248 48 V C 2.131 178.184 176.094 -0.068 0.000 1.051 48 V CA 3.264 65.485 62.300 -0.131 0.000 1.048 48 V CB -0.407 31.261 31.823 -0.259 0.000 0.666 48 V HN 0.235 8.281 8.190 -0.240 0.000 0.456 49 R N -1.939 118.518 120.500 -0.071 0.000 2.339 49 R HA -0.046 nan 4.340 nan 0.000 0.199 49 R C -0.542 175.745 176.300 -0.020 0.000 1.018 49 R CA -0.677 55.403 56.100 -0.032 0.000 1.036 49 R CB -0.424 29.857 30.300 -0.032 0.000 0.899 49 R HN -0.083 8.122 8.270 -0.108 0.000 0.473 50 K N -5.763 114.626 120.400 -0.019 0.000 3.167 50 K HA -0.440 nan 4.320 nan 0.000 0.272 50 K C -0.648 175.959 176.600 0.012 0.000 1.137 50 K CA 0.291 56.580 56.287 0.003 0.000 0.800 50 K CB -3.223 29.283 32.500 0.010 0.000 1.253 50 K HN -0.523 7.503 8.250 -0.033 0.204 0.497 51 A N -0.691 122.130 122.820 0.002 0.000 2.488 51 A HA 0.011 nan 4.320 nan 0.000 0.249 51 A C 0.966 178.575 177.584 0.040 0.000 1.083 51 A CA 1.729 53.773 52.037 0.013 0.000 0.768 51 A CB -0.333 18.665 19.000 -0.005 0.000 1.017 51 A HN -0.515 7.627 8.150 -0.014 0.000 0.496 52 G N 2.916 111.764 108.800 0.080 0.000 2.176 52 G HA2 -0.363 nan 3.960 nan 0.000 0.253 52 G HA3 -0.363 nan 3.960 nan 0.000 0.253 52 G C 1.124 176.130 174.900 0.178 0.000 0.979 52 G CA -0.000 45.194 45.100 0.157 0.000 0.641 52 G HN 0.218 8.552 8.290 0.073 0.000 0.530 53 I N 2.207 122.852 120.570 0.125 0.000 2.399 53 I HA -0.440 nan 4.170 nan 0.000 0.254 53 I C -0.017 176.240 176.117 0.232 0.000 1.146 53 I CA 2.327 63.729 61.300 0.171 0.000 1.412 53 I CB -0.285 37.786 38.000 0.119 0.000 1.076 53 I HN -0.590 7.604 8.210 0.087 0.067 0.432 54 A N -1.353 121.537 122.820 0.117 0.000 1.978 54 A HA -0.363 nan 4.320 nan 0.000 0.220 54 A C 2.108 179.676 177.584 -0.027 0.000 1.170 54 A CA 2.916 54.977 52.037 0.040 0.000 0.636 54 A CB -1.172 17.780 19.000 -0.081 0.000 0.810 54 A HN 0.297 8.464 8.150 0.086 0.035 0.448 55 H N -2.194 116.922 119.070 0.078 0.000 2.423 55 H HA -0.185 nan 4.556 nan 0.000 0.297 55 H C 2.859 178.195 175.328 0.013 0.000 1.075 55 H CA 3.716 59.788 56.048 0.040 0.000 1.342 55 H CB -0.073 29.700 29.762 0.018 0.000 1.395 55 H HN -0.081 8.163 8.280 0.172 0.140 0.530 56 L N -0.713 120.564 121.223 0.091 0.000 2.093 56 L HA -0.297 nan 4.340 nan 0.000 0.208 56 L C 1.406 178.093 176.870 -0.306 0.000 1.085 56 L CA 3.140 57.915 54.840 -0.107 0.000 0.755 56 L CB -0.462 41.480 42.059 -0.195 0.000 0.904 56 L HN -0.354 7.871 8.230 0.160 0.101 0.435 57 Y N -3.533 116.765 120.300 -0.004 0.000 2.470 57 Y HA -0.029 nan 4.550 nan 0.000 0.302 57 Y C 0.339 176.221 175.900 -0.030 0.000 1.194 57 Y CA -0.153 57.937 58.100 -0.018 0.000 1.271 57 Y CB -0.918 37.528 38.460 -0.024 0.000 1.092 57 Y HN -0.612 7.672 8.280 0.190 0.110 0.513 58 G N -0.761 108.042 108.800 0.005 0.000 2.246 58 G HA2 -0.473 nan 3.960 nan 0.000 0.273 58 G HA3 -0.473 nan 3.960 nan 0.000 0.273 58 G C 0.593 175.481 174.900 -0.020 0.000 1.055 58 G CA 0.282 45.379 45.100 -0.005 0.000 0.851 58 G HN -0.381 7.704 8.290 -0.023 0.191 0.500 59 I N -1.461 119.061 120.570 -0.079 0.000 2.361 59 I HA -0.263 nan 4.170 nan 0.000 0.251 59 I C -0.285 175.784 176.117 -0.079 0.000 1.133 59 I CA 2.369 63.602 61.300 -0.111 0.000 1.413 59 I CB 0.093 37.957 38.000 -0.227 0.000 1.073 59 I HN -0.350 7.798 8.210 -0.103 0.000 0.424 60 A N -2.399 120.390 122.820 -0.053 0.000 2.630 60 A HA 0.178 nan 4.320 nan 0.000 0.290 60 A C -0.000 177.599 177.584 0.025 0.000 1.267 60 A CA -0.776 51.270 52.037 0.014 0.000 0.950 60 A CB -0.122 18.932 19.000 0.090 0.000 1.144 60 A HN 0.063 8.149 8.150 -0.059 0.029 0.527 61 G N -0.733 108.073 108.800 0.010 0.000 2.604 61 G HA2 -0.213 nan 3.960 nan 0.000 0.205 61 G HA3 -0.213 nan 3.960 nan 0.000 0.205 61 G C -1.368 173.536 174.900 0.007 0.000 1.186 61 G CA -0.059 45.047 45.100 0.010 0.000 0.753 61 G HN -0.281 7.949 8.290 -0.001 0.060 0.526 62 A N 1.717 124.546 122.820 0.015 0.000 2.429 62 A HA 0.430 nan 4.320 nan 0.000 0.289 62 A C -0.816 176.784 177.584 0.026 0.000 1.043 62 A CA 0.135 52.175 52.037 0.006 0.000 0.722 62 A CB 0.928 19.930 19.000 0.002 0.000 1.243 62 A HN -0.026 8.084 8.150 0.030 0.059 0.415 71 K N 4.608 125.006 120.400 -0.005 0.000 6.236 71 K HA -0.159 nan 4.320 nan 0.000 0.607 71 K C -1.914 174.687 176.600 0.003 0.000 1.570 71 K CA 0.329 56.615 56.287 -0.001 0.000 1.551 71 K CB 0.124 32.621 32.500 -0.005 0.000 1.812 71 K HN 0.118 8.365 8.250 -0.005 0.000 0.338 72 K N 1.227 121.631 120.400 0.006 0.000 2.295 72 K HA -0.047 nan 4.320 nan 0.000 0.270 72 K C 0.924 177.531 176.600 0.011 0.000 1.011 72 K CA -0.256 56.037 56.287 0.011 0.000 0.953 72 K CB 0.844 33.352 32.500 0.013 0.000 0.956 72 K HN -0.099 8.154 8.250 0.006 0.000 0.477 73 L N 3.506 124.736 121.223 0.012 0.000 2.137 73 L HA -0.378 nan 4.340 nan 0.000 0.213 73 L C 0.851 177.731 176.870 0.016 0.000 1.085 73 L CA 3.168 58.013 54.840 0.008 0.000 0.760 73 L CB -0.598 41.467 42.059 0.009 0.000 0.893 73 L HN 0.674 8.914 8.230 0.015 0.000 0.434 74 D N -3.774 116.641 120.400 0.026 0.000 2.194 74 D HA -0.156 nan 4.640 nan 0.000 0.204 74 D C 2.472 178.792 176.300 0.033 0.000 0.964 74 D CA 3.053 57.075 54.000 0.036 0.000 0.846 74 D CB -1.266 39.555 40.800 0.035 0.000 0.962 74 D HN 0.358 8.726 8.370 0.024 0.017 0.490 75 V N 1.037 120.965 119.914 0.023 0.000 2.453 75 V HA -0.225 nan 4.120 nan 0.000 0.247 75 V C 1.947 178.053 176.094 0.021 0.000 1.048 75 V CA 3.607 65.920 62.300 0.022 0.000 1.049 75 V CB -0.678 31.153 31.823 0.013 0.000 0.672 75 V HN -0.431 7.675 8.190 0.019 0.095 0.457 76 L N -0.651 120.579 121.223 0.012 0.000 2.056 76 L HA -0.319 nan 4.340 nan 0.000 0.207 76 L C 1.605 178.477 176.870 0.004 0.000 1.078 76 L CA 3.508 58.349 54.840 0.002 0.000 0.749 76 L CB -0.349 41.705 42.059 -0.008 0.000 0.901 76 L HN -0.027 8.209 8.230 0.010 0.000 0.433 77 S N -0.436 115.272 115.700 0.013 0.000 2.399 77 S HA -0.422 nan 4.470 nan 0.000 0.231 77 S C 1.993 176.620 174.600 0.045 0.000 1.022 77 S CA 4.585 62.799 58.200 0.023 0.000 0.983 77 S CB -0.625 62.606 63.200 0.052 0.000 0.803 77 S HN 0.286 8.606 8.310 0.016 0.000 0.480 78 N N 1.156 119.899 118.700 0.071 0.000 2.106 78 N HA -0.223 nan 4.740 nan 0.000 0.188 78 N C 1.595 177.148 175.510 0.072 0.000 1.029 78 N CA 3.106 56.229 53.050 0.122 0.000 0.848 78 N CB -0.014 38.541 38.487 0.114 0.000 1.007 78 N HN -0.456 7.866 8.380 0.060 0.093 0.423 79 D N 0.657 121.078 120.400 0.035 0.000 2.123 79 D HA -0.293 nan 4.640 nan 0.000 0.196 79 D C 2.688 178.978 176.300 -0.016 0.000 0.992 79 D CA 3.463 57.471 54.000 0.013 0.000 0.833 79 D CB -0.261 40.542 40.800 0.004 0.000 0.954 79 D HN -0.038 8.351 8.370 0.032 0.000 0.455 80 L N -0.520 120.685 121.223 -0.029 0.000 1.994 80 L HA -0.365 nan 4.340 nan 0.000 0.208 80 L C 2.052 178.861 176.870 -0.102 0.000 1.071 80 L CA 3.474 58.281 54.840 -0.055 0.000 0.745 80 L CB -0.018 42.011 42.059 -0.051 0.000 0.892 80 L HN 0.011 8.231 8.230 -0.016 0.000 0.431 81 V N -0.374 119.448 119.914 -0.154 0.000 2.295 81 V HA -0.494 nan 4.120 nan 0.000 0.246 81 V C 2.131 178.032 176.094 -0.323 0.000 1.049 81 V CA 4.462 66.560 62.300 -0.338 0.000 1.024 81 V CB -0.727 30.711 31.823 -0.642 0.000 0.648 81 V HN -0.336 7.792 8.190 -0.104 0.000 0.447 82 I N -1.085 119.381 120.570 -0.174 0.000 2.163 82 I HA -0.680 nan 4.170 nan 0.000 0.243 82 I C 1.805 177.879 176.117 -0.070 0.000 1.085 82 I CA 4.559 65.822 61.300 -0.062 0.000 1.347 82 I CB -0.497 37.535 38.000 0.054 0.000 1.044 82 I HN -0.059 8.093 8.210 -0.097 0.000 0.408 83 N N -0.058 118.604 118.700 -0.063 0.000 2.142 83 N HA -0.230 nan 4.740 nan 0.000 0.186 83 N C 2.658 178.129 175.510 -0.065 0.000 1.023 83 N CA 3.957 56.974 53.050 -0.055 0.000 0.852 83 N CB 0.280 38.743 38.487 -0.040 0.000 0.998 83 N HN -0.415 7.929 8.380 -0.059 0.000 0.424 84 V N 0.552 120.417 119.914 -0.082 0.000 2.453 84 V HA -0.236 nan 4.120 nan 0.000 0.247 84 V C 1.268 177.307 176.094 -0.092 0.000 1.048 84 V CA 3.591 65.844 62.300 -0.077 0.000 1.049 84 V CB -0.676 31.094 31.823 -0.089 0.000 0.672 84 V HN -0.384 7.750 8.190 -0.095 0.000 0.457 85 L N -3.197 117.948 121.223 -0.129 0.000 2.109 85 L HA -0.285 nan 4.340 nan 0.000 0.207 85 L C 2.238 179.052 176.870 -0.093 0.000 1.086 85 L CA 2.718 57.483 54.840 -0.125 0.000 0.760 85 L CB -0.293 41.666 42.059 -0.167 0.000 0.910 85 L HN -0.337 7.799 8.230 -0.156 0.000 0.437 86 K N -0.292 120.049 120.400 -0.099 0.000 2.097 86 K HA -0.347 nan 4.320 nan 0.000 0.206 86 K C 2.544 179.014 176.600 -0.216 0.000 1.049 86 K CA 3.716 59.920 56.287 -0.139 0.000 0.933 86 K CB -0.136 32.290 32.500 -0.123 0.000 0.717 86 K HN 0.357 8.552 8.250 -0.092 0.000 0.442 87 S N -3.685 111.943 115.700 -0.119 0.000 2.603 87 S HA -0.052 nan 4.470 nan 0.000 0.220 87 S C 1.016 175.695 174.600 0.132 0.000 0.967 87 S CA 1.599 59.779 58.200 -0.034 0.000 0.920 87 S CB -0.576 62.657 63.200 0.054 0.000 0.773 87 S HN -0.359 7.902 8.310 -0.081 0.000 0.529 88 S N 1.450 117.183 115.700 0.055 0.000 2.522 88 S HA -0.118 nan 4.470 nan 0.000 0.227 88 S C 0.558 175.330 174.600 0.285 0.000 0.986 88 S CA 1.002 59.283 58.200 0.134 0.000 0.929 88 S CB 0.465 63.683 63.200 0.030 0.000 0.769 88 S HN -0.373 7.741 8.310 -0.031 0.178 0.529 89 F N -1.484 118.467 119.950 0.002 0.000 3.084 89 F HA -0.375 nan 4.527 nan 0.000 0.286 89 F C -0.919 174.903 175.800 0.038 0.000 0.855 89 F CA 1.297 59.306 58.000 0.016 0.000 1.091 89 F CB -2.195 36.811 39.000 0.010 0.000 1.177 89 F HN -0.560 7.598 8.300 -0.151 0.051 0.542 90 A N -4.991 117.903 122.820 0.122 0.000 2.585 90 A HA 0.288 nan 4.320 nan 0.000 0.266 90 A C -1.590 176.107 177.584 0.188 0.000 1.178 90 A CA -0.211 51.928 52.037 0.170 0.000 0.966 90 A CB 2.253 21.344 19.000 0.152 0.000 1.170 90 A HN -0.626 7.533 8.150 0.061 0.028 0.558 91 T N -5.164 109.447 114.554 0.094 0.000 2.893 91 T HA 0.625 nan 4.350 nan 0.000 0.291 91 T C 0.316 175.046 174.700 0.051 0.000 1.028 91 T CA -1.878 60.282 62.100 0.100 0.000 0.995 91 T CB 2.626 71.535 68.868 0.069 0.000 1.051 91 T HN -0.498 7.762 8.240 0.033 0.000 0.470 92 C N -0.373 118.959 119.300 0.054 0.000 3.364 92 C HA 0.554 nan 4.460 nan 0.000 0.340 92 C C -0.968 174.043 174.990 0.034 0.000 1.336 92 C CA -0.899 58.134 59.018 0.025 0.000 1.778 92 C CB 0.932 28.679 27.740 0.012 0.000 2.398 92 C HN 0.771 9.047 8.230 0.077 0.000 0.667 93 V N 0.614 120.566 119.914 0.063 0.000 2.777 93 V HA 0.611 nan 4.120 nan 0.000 0.306 93 V C -2.590 173.571 176.094 0.112 0.000 1.112 93 V CA -0.043 62.299 62.300 0.070 0.000 0.917 93 V CB 3.047 34.906 31.823 0.061 0.000 1.018 93 V HN -0.811 7.430 8.190 0.084 0.000 0.426 94 L N 5.303 126.595 121.223 0.115 0.000 2.346 94 L HA 0.851 nan 4.340 nan 0.000 0.276 94 L C -1.643 175.273 176.870 0.078 0.000 1.006 94 L CA -1.099 53.852 54.840 0.184 0.000 0.817 94 L CB 2.893 45.112 42.059 0.267 0.000 1.272 94 L HN 0.611 8.892 8.230 0.085 0.000 0.421 95 V N 4.335 124.240 119.914 -0.014 0.000 2.487 95 V HA 0.435 nan 4.120 nan 0.000 0.298 95 V C -1.363 174.408 176.094 -0.538 0.000 1.028 95 V CA -0.725 61.490 62.300 -0.142 0.000 0.860 95 V CB 3.214 35.022 31.823 -0.025 0.000 0.991 95 V HN 0.581 8.797 8.190 0.044 0.000 0.427 96 T N 8.104 122.322 114.554 -0.559 0.000 2.855 96 T HA 0.482 nan 4.350 nan 0.000 0.281 96 T C 0.435 174.788 174.700 -0.579 0.000 1.007 96 T CA -1.150 60.424 62.100 -0.877 0.000 1.009 96 T CB 1.749 70.294 68.868 -0.538 0.000 0.983 96 T HN 0.294 8.364 8.240 -0.283 0.000 0.455 97 E N 5.145 124.768 120.200 -0.962 0.000 2.097 97 E HA -0.384 nan 4.350 nan 0.000 0.196 97 E C 0.429 176.860 176.600 -0.282 0.000 1.000 97 E CA 3.483 59.435 56.400 -0.746 0.000 0.804 97 E CB 0.067 29.388 29.700 -0.631 0.000 0.740 97 E HN 0.160 7.829 8.360 -1.152 0.000 0.454 98 E N -4.658 115.413 120.200 -0.215 0.000 2.511 98 E HA -0.034 nan 4.350 nan 0.000 0.196 98 E C -0.534 176.019 176.600 -0.079 0.000 1.066 98 E CA 0.354 56.688 56.400 -0.110 0.000 0.871 98 E CB -0.029 29.641 29.700 -0.050 0.000 0.863 98 E HN 0.088 8.293 8.360 -0.258 0.000 0.520 99 D N 0.235 120.599 120.400 -0.059 0.000 2.505 99 D HA 0.232 nan 4.640 nan 0.000 0.249 99 D C -0.621 175.737 176.300 0.098 0.000 1.082 99 D CA -0.575 53.429 54.000 0.006 0.000 0.839 99 D CB 2.663 43.472 40.800 0.014 0.000 1.317 99 D HN -0.494 7.673 8.370 -0.068 0.162 0.497 100 K N 3.264 123.706 120.400 0.070 0.000 2.057 100 K HA -0.290 nan 4.320 nan 0.000 0.206 100 K C -0.254 176.495 176.600 0.248 0.000 1.050 100 K CA 2.469 58.841 56.287 0.142 0.000 0.935 100 K CB 0.529 33.065 32.500 0.059 0.000 0.715 100 K HN 0.462 8.728 8.250 0.026 0.000 0.439 101 N N -3.125 115.649 118.700 0.124 0.000 2.430 101 N HA 0.092 nan 4.740 nan 0.000 0.298 101 N C -1.732 173.805 175.510 0.045 0.000 1.130 101 N CA -0.964 52.130 53.050 0.073 0.000 0.894 101 N CB 1.136 39.649 38.487 0.044 0.000 1.209 101 N HN -0.564 7.869 8.380 0.088 0.000 0.503 102 A N 0.524 123.350 122.820 0.009 0.000 2.483 102 A HA 0.098 nan 4.320 nan 0.000 0.238 102 A C -0.310 177.286 177.584 0.019 0.000 1.070 102 A CA 0.253 52.291 52.037 0.001 0.000 0.770 102 A CB 0.696 19.692 19.000 -0.007 0.000 1.008 102 A HN 0.105 8.415 8.150 0.000 -0.159 0.497 103 I N 2.205 122.793 120.570 0.031 0.000 2.336 103 I HA 0.107 nan 4.170 nan 0.000 0.292 103 I C -1.137 175.000 176.117 0.034 0.000 0.991 103 I CA -0.249 61.073 61.300 0.038 0.000 1.227 103 I CB 1.615 39.652 38.000 0.062 0.000 1.366 103 I HN 0.380 8.611 8.210 0.035 0.000 0.466 104 I N 7.302 127.884 120.570 0.020 0.000 2.321 104 I HA 0.185 nan 4.170 nan 0.000 0.291 104 I C -0.398 175.721 176.117 0.003 0.000 0.998 104 I CA -2.238 59.070 61.300 0.013 0.000 1.227 104 I CB -0.548 37.456 38.000 0.006 0.000 1.368 104 I HN 0.063 8.283 8.210 0.017 0.000 0.466 105 V N 8.471 128.383 119.914 -0.003 0.000 2.715 105 V HA -0.018 nan 4.120 nan 0.000 0.299 105 V C 0.158 176.231 176.094 -0.034 0.000 1.054 105 V CA -0.004 62.279 62.300 -0.028 0.000 1.077 105 V CB 0.410 32.207 31.823 -0.043 0.000 0.972 105 V HN 0.284 8.373 8.190 0.005 0.104 0.484 106 E N 5.285 125.456 120.200 -0.048 0.000 2.413 106 E HA 0.040 nan 4.350 nan 0.000 0.263 106 E C -0.409 176.165 176.600 -0.043 0.000 1.015 106 E CA -1.079 55.297 56.400 -0.040 0.000 0.916 106 E CB -0.659 29.015 29.700 -0.043 0.000 0.947 106 E HN 0.206 8.531 8.360 -0.060 0.000 0.440 107 P HA -0.214 nan 4.420 nan 0.000 0.218 107 P C 1.601 178.904 177.300 0.005 0.000 1.148 107 P CA 2.648 65.744 63.100 -0.007 0.000 0.822 107 P CB 0.103 31.805 31.700 0.002 0.000 0.784 108 E N 0.023 120.227 120.200 0.006 0.000 2.110 108 E HA -0.175 nan 4.350 nan 0.000 0.193 108 E C 1.365 177.984 176.600 0.031 0.000 0.988 108 E CA 2.706 59.138 56.400 0.053 0.000 0.804 108 E CB -0.543 29.197 29.700 0.067 0.000 0.745 108 E HN 0.645 8.975 8.360 -0.005 0.027 0.458 109 K N -4.228 116.070 120.400 -0.169 0.000 2.387 109 K HA 0.102 nan 4.320 nan 0.000 0.198 109 K C -0.613 175.825 176.600 -0.270 0.000 1.022 109 K CA -0.615 55.358 56.287 -0.523 0.000 1.128 109 K CB 0.474 32.594 32.500 -0.632 0.000 0.853 109 K HN -0.343 7.703 8.250 -0.132 0.125 0.523 110 R N -0.680 119.774 120.500 -0.078 0.000 2.594 110 R HA -0.173 nan 4.340 nan 0.000 0.272 110 R C -0.030 176.291 176.300 0.036 0.000 1.074 110 R CA 0.846 56.934 56.100 -0.021 0.000 1.105 110 R CB 0.716 31.014 30.300 -0.004 0.000 1.008 110 R HN -0.837 7.238 8.270 -0.036 0.173 0.472 111 G N 0.972 109.796 108.800 0.039 0.000 2.921 111 G HA2 0.358 nan 3.960 nan 0.000 0.291 111 G HA3 0.358 nan 3.960 nan 0.000 0.291 111 G C -1.924 172.984 174.900 0.014 0.000 1.370 111 G CA -0.329 44.811 45.100 0.068 0.000 0.847 111 G HN -0.503 7.709 8.290 0.023 0.092 0.532 112 K N -2.119 118.246 120.400 -0.059 0.000 2.374 112 K HA 0.172 nan 4.320 nan 0.000 0.196 112 K C -0.878 175.517 176.600 -0.341 0.000 1.023 112 K CA 0.650 56.790 56.287 -0.244 0.000 1.103 112 K CB 1.000 33.266 32.500 -0.390 0.000 0.848 112 K HN -0.167 8.324 8.250 -0.000 -0.241 0.528 113 Y N -1.627 118.695 120.300 0.037 0.000 2.453 113 Y HA 0.542 nan 4.550 nan 0.000 0.326 113 Y C -1.331 174.609 175.900 0.067 0.000 1.186 113 Y CA -0.526 57.605 58.100 0.052 0.000 1.200 113 Y CB 2.920 41.402 38.460 0.036 0.000 1.247 113 Y HN -0.436 7.923 8.280 0.202 0.043 0.482 114 V N 0.387 120.475 119.914 0.289 0.000 2.487 114 V HA 0.595 nan 4.120 nan 0.000 0.298 114 V C -1.668 174.569 176.094 0.240 0.000 1.028 114 V CA -0.716 61.725 62.300 0.235 0.000 0.860 114 V CB 1.378 33.355 31.823 0.258 0.000 0.991 114 V HN 0.714 9.128 8.190 0.374 0.000 0.427 115 V N 6.649 126.694 119.914 0.218 0.000 2.540 115 V HA 0.703 nan 4.120 nan 0.000 0.302 115 V C -1.606 174.667 176.094 0.299 0.000 1.035 115 V CA -1.712 60.725 62.300 0.228 0.000 0.873 115 V CB 3.112 35.058 31.823 0.204 0.000 0.992 115 V HN 0.649 8.966 8.190 0.212 0.000 0.428 116 C N 6.768 126.223 119.300 0.259 0.000 2.298 116 C HA 0.991 nan 4.460 nan 0.000 0.323 116 C C -1.439 173.724 174.990 0.288 0.000 1.284 116 C CA -1.625 57.522 59.018 0.216 0.000 1.577 116 C CB 0.192 28.051 27.740 0.199 0.000 2.249 116 C HN 0.883 9.232 8.230 0.197 0.000 0.497 117 F N 1.612 121.629 119.950 0.112 0.000 2.613 117 F HA 0.632 nan 4.527 nan 0.000 0.310 117 F C -2.946 172.791 175.800 -0.105 0.000 1.085 117 F CA -2.498 55.549 58.000 0.078 0.000 0.945 117 F CB 2.686 41.740 39.000 0.092 0.000 1.298 117 F HN 0.955 8.932 8.300 -0.538 0.000 0.455 118 D N 1.714 122.172 120.400 0.097 0.000 2.412 118 D HA 0.566 nan 4.640 nan 0.000 0.224 118 D C -0.910 175.490 176.300 0.165 0.000 1.093 118 D CA -3.702 50.279 54.000 -0.032 0.000 0.850 118 D CB 1.799 42.636 40.800 0.061 0.000 1.046 118 D HN 0.286 8.695 8.370 0.243 0.107 0.507 119 P HA -0.067 nan 4.420 nan 0.000 0.217 119 P C -0.897 176.513 177.300 0.184 0.000 1.151 119 P CA 1.179 64.433 63.100 0.258 0.000 0.828 119 P CB 0.522 32.376 31.700 0.256 0.000 0.788 120 L N -1.886 119.414 121.223 0.128 0.000 2.518 120 L HA 0.119 nan 4.340 nan 0.000 0.262 120 L C -2.197 174.724 176.870 0.084 0.000 0.982 120 L CA -0.592 54.327 54.840 0.131 0.000 0.873 120 L CB 1.739 43.865 42.059 0.111 0.000 1.198 120 L HN -0.666 7.618 8.230 0.091 0.000 0.427 121 D N 4.246 124.688 120.400 0.070 0.000 2.198 121 D HA 0.179 nan 4.640 nan 0.000 0.245 121 D C -0.606 175.704 176.300 0.016 0.000 1.079 121 D CA -0.611 53.408 54.000 0.031 0.000 0.854 121 D CB 2.027 42.827 40.800 0.000 0.000 1.148 121 D HN 0.678 9.100 8.370 0.086 0.000 0.456 122 G N 4.965 113.775 108.800 0.018 0.000 2.797 122 G HA2 -0.239 nan 3.960 nan 0.000 0.192 122 G HA3 -0.239 nan 3.960 nan 0.000 0.192 122 G C 0.173 175.093 174.900 0.033 0.000 1.101 122 G CA -0.049 45.059 45.100 0.014 0.000 0.930 122 G HN 0.141 8.448 8.290 0.028 0.000 0.512 123 S N 1.724 117.448 115.700 0.040 0.000 2.368 123 S HA -0.295 nan 4.470 nan 0.000 0.225 123 S C 1.585 176.212 174.600 0.044 0.000 1.030 123 S CA 2.661 60.886 58.200 0.042 0.000 0.999 123 S CB -0.448 62.775 63.200 0.039 0.000 0.844 123 S HN 0.330 8.665 8.310 0.042 0.000 0.459 124 S N 0.113 115.844 115.700 0.052 0.000 2.474 124 S HA -0.128 nan 4.470 nan 0.000 0.235 124 S C 1.167 175.794 174.600 0.045 0.000 0.997 124 S CA 1.983 60.216 58.200 0.055 0.000 0.949 124 S CB -0.110 63.135 63.200 0.074 0.000 0.766 124 S HN 0.375 8.720 8.310 0.058 0.000 0.517 125 N N -0.112 118.610 118.700 0.037 0.000 2.280 125 N HA 0.150 nan 4.740 nan 0.000 0.192 125 N C 0.436 175.966 175.510 0.033 0.000 1.109 125 N CA 0.385 53.453 53.050 0.030 0.000 0.855 125 N CB 0.718 39.214 38.487 0.015 0.000 0.974 125 N HN -0.474 7.762 8.380 0.036 0.165 0.482 126 I N 0.186 120.778 120.570 0.038 0.000 2.142 126 I HA -0.435 nan 4.170 nan 0.000 0.240 126 I C 1.440 177.577 176.117 0.035 0.000 1.078 126 I CA 4.416 65.740 61.300 0.040 0.000 1.343 126 I CB -0.188 37.836 38.000 0.040 0.000 1.046 126 I HN -0.907 7.271 8.210 0.039 0.056 0.405 127 D N -0.581 119.839 120.400 0.033 0.000 2.277 127 D HA -0.104 nan 4.640 nan 0.000 0.208 127 D C 0.563 176.880 176.300 0.028 0.000 0.962 127 D CA 2.492 56.511 54.000 0.031 0.000 0.865 127 D CB -0.368 40.451 40.800 0.031 0.000 0.939 127 D HN 0.319 8.709 8.370 0.034 0.000 0.510 128 C N -4.745 114.572 119.300 0.027 0.000 2.693 128 C HA 0.327 nan 4.460 nan 0.000 0.286 128 C C 0.416 175.419 174.990 0.023 0.000 1.277 128 C CA -0.979 58.054 59.018 0.024 0.000 1.705 128 C CB -0.669 27.086 27.740 0.025 0.000 1.879 128 C HN -0.229 8.018 8.230 0.029 0.000 0.607 129 L N -3.700 117.539 121.223 0.025 0.000 4.040 129 L HA -0.519 nan 4.340 nan 0.000 0.410 129 L C -0.477 176.409 176.870 0.027 0.000 1.187 129 L CA 0.526 55.382 54.840 0.026 0.000 0.956 129 L CB -2.451 39.621 42.059 0.020 0.000 2.022 129 L HN -0.427 7.645 8.230 0.028 0.176 0.897 130 V N -1.342 118.587 119.914 0.024 0.000 2.904 130 V HA 0.067 nan 4.120 nan 0.000 0.305 130 V C 0.654 176.761 176.094 0.022 0.000 1.067 130 V CA -0.738 61.573 62.300 0.018 0.000 1.044 130 V CB 0.921 32.750 31.823 0.010 0.000 1.050 130 V HN -0.594 7.612 8.190 0.025 0.000 0.475 131 S N 2.874 118.582 115.700 0.012 0.000 2.784 131 S HA -0.113 nan 4.470 nan 0.000 0.322 131 S C -0.726 173.876 174.600 0.003 0.000 1.234 131 S CA 1.807 60.013 58.200 0.010 0.000 1.064 131 S CB -0.509 62.677 63.200 -0.022 0.000 0.787 131 S HN 0.124 8.438 8.310 0.006 0.000 0.506 132 I N -2.381 118.216 120.570 0.046 0.000 3.264 132 I HA 0.983 nan 4.170 nan 0.000 0.309 132 I C -1.409 174.712 176.117 0.007 0.000 1.099 132 I CA -2.602 58.731 61.300 0.054 0.000 0.989 132 I CB 3.496 41.571 38.000 0.124 0.000 1.250 132 I HN -0.564 7.703 8.210 0.094 0.000 0.478 133 G N -2.361 106.425 108.800 -0.022 0.000 2.506 133 G HA2 0.382 nan 3.960 nan 0.000 0.292 133 G HA3 0.382 nan 3.960 nan 0.000 0.292 133 G C -2.745 172.123 174.900 -0.053 0.000 1.425 133 G CA 0.241 45.188 45.100 -0.256 0.000 0.788 133 G HN -0.526 7.792 8.290 0.047 0.000 0.490 134 T N 1.707 116.231 114.554 -0.049 0.000 2.829 134 T HA 0.824 nan 4.350 nan 0.000 0.280 134 T C -1.146 173.650 174.700 0.160 0.000 0.999 134 T CA -0.531 61.658 62.100 0.148 0.000 0.983 134 T CB 1.760 70.777 68.868 0.248 0.000 0.968 134 T HN 0.344 8.463 8.240 -0.202 0.000 0.446 135 I N 4.720 125.396 120.570 0.176 0.000 2.509 135 I HA 0.962 nan 4.170 nan 0.000 0.293 135 I C -1.960 174.260 176.117 0.172 0.000 1.020 135 I CA -1.260 60.095 61.300 0.090 0.000 1.088 135 I CB 2.864 40.895 38.000 0.052 0.000 1.267 135 I HN 0.210 8.544 8.210 0.206 0.000 0.430 136 F N 2.737 122.753 119.950 0.111 0.000 2.613 136 F HA 0.922 nan 4.527 nan 0.000 0.310 136 F C -2.204 173.602 175.800 0.010 0.000 1.085 136 F CA -2.554 55.506 58.000 0.100 0.000 0.945 136 F CB 3.001 42.032 39.000 0.053 0.000 1.298 136 F HN 0.755 8.653 8.300 -0.670 0.000 0.455 137 G N -0.997 107.873 108.800 0.117 0.000 2.682 137 G HA2 0.770 nan 3.960 nan 0.000 0.300 137 G HA3 0.770 nan 3.960 nan 0.000 0.300 137 G C -3.043 171.788 174.900 -0.114 0.000 1.391 137 G CA -0.898 44.135 45.100 -0.111 0.000 0.990 137 G HN 0.713 9.133 8.290 0.216 0.000 0.501 138 I N 2.480 122.928 120.570 -0.203 0.000 2.406 138 I HA 0.757 nan 4.170 nan 0.000 0.290 138 I C -1.799 174.200 176.117 -0.197 0.000 0.999 138 I CA -1.105 60.122 61.300 -0.121 0.000 1.124 138 I CB 2.863 40.828 38.000 -0.059 0.000 1.289 138 I HN 0.807 8.857 8.210 -0.266 0.000 0.441 139 Y N 5.262 125.640 120.300 0.130 0.000 2.528 139 Y HA 0.584 nan 4.550 nan 0.000 0.335 139 Y C -1.548 174.469 175.900 0.194 0.000 1.093 139 Y CA -2.134 56.036 58.100 0.118 0.000 1.134 139 Y CB 3.083 41.583 38.460 0.067 0.000 1.253 139 Y HN 0.985 9.365 8.280 0.168 0.000 0.478 140 R N 0.854 121.536 120.500 0.304 0.000 2.312 140 R HA 0.327 nan 4.340 nan 0.000 0.311 140 R C -1.019 175.287 176.300 0.010 0.000 1.004 140 R CA -1.285 54.851 56.100 0.060 0.000 0.902 140 R CB 1.634 31.952 30.300 0.030 0.000 1.073 140 R HN 0.546 9.002 8.270 0.311 0.000 0.457 141 K N 5.943 126.299 120.400 -0.074 0.000 2.419 141 K HA -0.161 nan 4.320 nan 0.000 0.282 141 K C -0.006 176.561 176.600 -0.056 0.000 1.056 141 K CA 0.792 57.049 56.287 -0.050 0.000 1.035 141 K CB 0.203 32.666 32.500 -0.063 0.000 0.921 141 K HN 0.198 8.344 8.250 -0.174 0.000 0.472 142 N N 7.650 126.323 118.700 -0.045 0.000 3.194 142 N HA 0.139 nan 4.740 nan 0.000 0.271 142 N C -1.360 174.126 175.510 -0.040 0.000 1.308 142 N CA -0.349 52.676 53.050 -0.041 0.000 1.042 142 N CB -0.913 37.551 38.487 -0.038 0.000 1.310 142 N HN 0.470 8.822 8.380 -0.048 0.000 0.502 143 S N 0.609 116.287 115.700 -0.037 0.000 2.683 143 S HA 0.010 nan 4.470 nan 0.000 0.264 143 S C -1.565 173.018 174.600 -0.029 0.000 1.066 143 S CA 0.042 58.223 58.200 -0.031 0.000 0.846 143 S CB 0.874 64.055 63.200 -0.031 0.000 1.114 143 S HN -0.385 7.900 8.310 -0.041 0.000 0.476 144 T N 0.158 114.697 114.554 -0.024 0.000 3.103 144 T HA 0.292 nan 4.350 nan 0.000 0.352 144 T C -2.005 172.685 174.700 -0.017 0.000 1.048 144 T CA 0.429 62.517 62.100 -0.021 0.000 1.175 144 T CB 1.124 69.981 68.868 -0.018 0.000 1.029 144 T HN -0.056 8.171 8.240 -0.021 0.000 0.498 145 D N 1.420 121.810 120.400 -0.017 0.000 2.713 145 D HA 0.018 nan 4.640 nan 0.000 0.306 145 D C -1.576 174.716 176.300 -0.013 0.000 1.299 145 D CA -0.867 53.124 54.000 -0.014 0.000 0.823 145 D CB 1.457 42.248 40.800 -0.015 0.000 1.353 145 D HN -0.480 7.879 8.370 -0.019 0.000 0.447 146 E N -0.095 120.099 120.200 -0.010 0.000 2.414 146 E HA 0.175 nan 4.350 nan 0.000 0.263 146 E C -1.350 175.244 176.600 -0.010 0.000 1.000 146 E CA -1.383 55.012 56.400 -0.009 0.000 0.914 146 E CB -0.575 29.122 29.700 -0.006 0.000 0.948 146 E HN 0.009 8.363 8.360 -0.010 0.000 0.444 147 P HA -0.165 nan 4.420 nan 0.000 0.263 147 P C -1.313 175.985 177.300 -0.004 0.000 1.175 147 P CA 0.574 63.671 63.100 -0.005 0.000 0.761 147 P CB 0.325 32.025 31.700 -0.000 0.000 0.794 148 S N 2.896 118.592 115.700 -0.006 0.000 2.643 148 S HA 0.195 nan 4.470 nan 0.000 0.270 148 S C 0.694 175.287 174.600 -0.011 0.000 1.166 148 S CA -1.379 56.817 58.200 -0.007 0.000 0.815 148 S CB 2.164 65.357 63.200 -0.011 0.000 1.139 148 S HN -0.014 8.513 8.310 -0.008 -0.222 0.472 149 E N 3.440 123.631 120.200 -0.014 0.000 2.147 149 E HA -0.398 nan 4.350 nan 0.000 0.199 149 E C 1.537 178.116 176.600 -0.035 0.000 1.005 149 E CA 3.496 59.881 56.400 -0.024 0.000 0.810 149 E CB -0.571 29.111 29.700 -0.030 0.000 0.736 149 E HN 0.498 8.851 8.360 -0.012 0.000 0.460 150 K N -1.149 119.230 120.400 -0.036 0.000 2.173 150 K HA -0.305 nan 4.320 nan 0.000 0.207 150 K C 2.454 179.016 176.600 -0.064 0.000 1.046 150 K CA 2.748 59.006 56.287 -0.048 0.000 0.929 150 K CB -0.525 31.952 32.500 -0.039 0.000 0.720 150 K HN -0.579 7.629 8.250 -0.028 0.025 0.453 151 D N -0.235 120.136 120.400 -0.049 0.000 2.219 151 D HA -0.146 nan 4.640 nan 0.000 0.205 151 D C 0.707 176.958 176.300 -0.083 0.000 0.970 151 D CA 2.616 56.583 54.000 -0.056 0.000 0.851 151 D CB -0.265 40.523 40.800 -0.020 0.000 0.943 151 D HN -0.080 8.134 8.370 -0.033 0.136 0.488 152 A N -2.623 120.166 122.820 -0.051 0.000 2.067 152 A HA 0.007 nan 4.320 nan 0.000 0.217 152 A C 0.447 177.945 177.584 -0.144 0.000 1.156 152 A CA 1.282 53.303 52.037 -0.026 0.000 0.683 152 A CB 0.713 19.731 19.000 0.030 0.000 0.808 152 A HN -0.265 7.728 8.150 -0.036 0.136 0.455 153 L N -0.862 120.272 121.223 -0.148 0.000 2.391 153 L HA -0.096 nan 4.340 nan 0.000 0.249 153 L C -0.828 175.909 176.870 -0.222 0.000 1.308 153 L CA -0.129 54.621 54.840 -0.149 0.000 1.209 153 L CB -1.861 40.139 42.059 -0.097 0.000 1.401 153 L HN -0.610 7.372 8.230 -0.120 0.176 0.416 154 Q N 1.006 120.575 119.800 -0.385 0.000 2.394 154 Q HA 0.489 nan 4.340 nan 0.000 0.273 154 Q C -2.148 173.699 176.000 -0.256 0.000 1.089 154 Q CA -3.764 51.787 55.803 -0.421 0.000 0.812 154 Q CB 2.506 30.773 28.738 -0.787 0.000 1.353 154 Q HN -0.104 7.857 8.270 -0.443 0.043 0.438 155 P HA -0.105 nan 4.420 nan 0.000 0.267 155 P C 0.314 177.707 177.300 0.155 0.000 1.200 155 P CA 0.074 63.188 63.100 0.024 0.000 0.772 155 P CB 0.691 32.404 31.700 0.022 0.000 0.855 156 G N 0.496 109.417 108.800 0.202 0.000 2.559 156 G HA2 -0.326 nan 3.960 nan 0.000 0.216 156 G HA3 -0.326 nan 3.960 nan 0.000 0.216 156 G C 1.461 176.520 174.900 0.264 0.000 1.126 156 G CA 1.297 46.559 45.100 0.269 0.000 0.778 156 G HN 0.766 9.139 8.290 0.138 0.000 0.543 157 R N 1.336 121.957 120.500 0.201 0.000 2.159 157 R HA -0.257 nan 4.340 nan 0.000 0.237 157 R C 1.043 177.473 176.300 0.217 0.000 1.131 157 R CA 1.893 58.105 56.100 0.187 0.000 0.982 157 R CB -0.308 30.059 30.300 0.112 0.000 0.868 157 R HN -0.242 8.082 8.270 0.153 0.038 0.453 158 N N -3.164 115.676 118.700 0.233 0.000 2.434 158 N HA -0.005 nan 4.740 nan 0.000 0.196 158 N C -0.118 175.591 175.510 0.332 0.000 1.183 158 N CA 0.076 53.275 53.050 0.248 0.000 0.849 158 N CB 0.027 38.611 38.487 0.162 0.000 0.992 158 N HN -0.205 8.167 8.380 0.231 0.147 0.460 159 L N -0.567 120.773 121.223 0.196 0.000 2.426 159 L HA -0.172 nan 4.340 nan 0.000 0.271 159 L C -0.000 176.792 176.870 -0.129 0.000 1.169 159 L CA 0.975 55.715 54.840 -0.168 0.000 0.836 159 L CB 0.385 42.090 42.059 -0.590 0.000 1.112 159 L HN -0.742 7.542 8.230 0.218 0.077 0.465 160 V N 1.189 121.040 119.914 -0.106 0.000 2.685 160 V HA 0.056 nan 4.120 nan 0.000 0.244 160 V C -0.923 175.116 176.094 -0.092 0.000 1.054 160 V CA 1.439 63.732 62.300 -0.011 0.000 1.076 160 V CB 0.602 32.478 31.823 0.088 0.000 0.725 160 V HN 0.778 8.900 8.190 -0.113 0.000 0.467 161 A N -4.992 117.699 122.820 -0.215 0.000 2.574 161 A HA 0.680 nan 4.320 nan 0.000 0.297 161 A C -3.138 174.293 177.584 -0.255 0.000 1.062 161 A CA -0.876 51.069 52.037 -0.154 0.000 0.686 161 A CB 3.220 22.212 19.000 -0.015 0.000 1.285 161 A HN -0.816 7.176 8.150 -0.263 0.000 0.403 162 A N 0.092 122.776 122.820 -0.227 0.000 2.606 162 A HA 1.036 nan 4.320 nan 0.000 0.293 162 A C -2.289 175.051 177.584 -0.407 0.000 1.082 162 A CA -1.179 50.669 52.037 -0.315 0.000 0.685 162 A CB 3.331 22.101 19.000 -0.384 0.000 1.284 162 A HN 0.645 8.737 8.150 -0.097 0.000 0.408 163 G N -2.525 105.653 108.800 -1.037 0.000 2.335 163 G HA2 0.675 nan 3.960 nan 0.000 0.291 163 G HA3 0.675 nan 3.960 nan 0.000 0.291 163 G C -3.405 170.893 174.900 -1.004 0.000 1.261 163 G CA 1.101 45.687 45.100 -0.855 0.000 0.871 163 G HN 0.149 7.610 8.290 -1.381 0.000 0.491 164 Y N -5.241 114.781 120.300 -0.464 0.000 2.656 164 Y HA 0.882 nan 4.550 nan 0.000 0.334 164 Y C -3.023 172.834 175.900 -0.072 0.000 1.179 164 Y CA -2.528 55.423 58.100 -0.247 0.000 1.050 164 Y CB 2.390 40.715 38.460 -0.225 0.000 1.308 164 Y HN 0.057 7.889 8.280 -0.747 0.000 0.456 165 A N -1.355 121.534 122.820 0.114 0.000 2.331 165 A HA 0.753 nan 4.320 nan 0.000 0.320 165 A C -2.777 174.626 177.584 -0.302 0.000 1.138 165 A CA -1.991 50.000 52.037 -0.077 0.000 0.790 165 A CB 2.100 21.056 19.000 -0.073 0.000 1.206 165 A HN 0.863 8.982 8.150 0.122 0.105 0.470 166 L N 4.112 125.181 121.223 -0.256 0.000 2.272 166 L HA 0.496 nan 4.340 nan 0.000 0.289 166 L C -1.891 174.768 176.870 -0.352 0.000 1.032 166 L CA -1.638 52.999 54.840 -0.338 0.000 0.810 166 L CB 2.228 44.145 42.059 -0.236 0.000 1.205 166 L HN 0.489 8.634 8.230 -0.143 0.000 0.422 167 Y N 7.127 127.444 120.300 0.027 0.000 2.724 167 Y HA 0.268 nan 4.550 nan 0.000 0.332 167 Y C -0.472 175.431 175.900 0.005 0.000 1.276 167 Y CA -1.912 56.203 58.100 0.024 0.000 1.597 167 Y CB -2.204 36.273 38.460 0.028 0.000 1.584 167 Y HN 0.423 8.428 8.280 -0.459 0.000 0.478 168 G N 0.927 109.771 108.800 0.073 0.000 3.134 168 G HA2 0.311 nan 3.960 nan 0.000 0.158 168 G HA3 0.311 nan 3.960 nan 0.000 0.158 168 G C 0.058 174.988 174.900 0.051 0.000 1.334 168 G CA -1.210 43.913 45.100 0.038 0.000 1.001 168 G HN 0.006 8.335 8.290 0.065 0.000 0.600 169 S N 0.233 115.955 115.700 0.037 0.000 2.382 169 S HA -0.258 nan 4.470 nan 0.000 0.228 169 S C -0.072 174.552 174.600 0.040 0.000 1.027 169 S CA 1.969 60.191 58.200 0.037 0.000 0.991 169 S CB -0.048 63.173 63.200 0.035 0.000 0.823 169 S HN 0.361 8.689 8.310 0.030 0.000 0.469 170 A N 1.000 123.845 122.820 0.042 0.000 2.387 170 A HA 0.302 nan 4.320 nan 0.000 0.303 170 A C -1.702 175.922 177.584 0.067 0.000 1.145 170 A CA -1.032 51.034 52.037 0.047 0.000 0.801 170 A CB 2.309 21.333 19.000 0.040 0.000 1.342 170 A HN -0.666 7.501 8.150 0.037 0.004 0.440 171 T N 1.370 115.981 114.554 0.095 0.000 2.767 171 T HA 0.486 nan 4.350 nan 0.000 0.288 171 T C -1.671 173.135 174.700 0.175 0.000 0.963 171 T CA 0.546 62.743 62.100 0.162 0.000 1.019 171 T CB 0.287 69.306 68.868 0.251 0.000 0.923 171 T HN 0.480 8.763 8.240 0.072 0.000 0.468 172 M N 6.794 126.463 119.600 0.116 0.000 2.395 172 M HA 0.817 nan 4.480 nan 0.000 0.307 172 M C -2.745 173.582 176.300 0.044 0.000 1.091 172 M CA -1.027 54.337 55.300 0.106 0.000 0.919 172 M CB 4.048 36.613 32.600 -0.060 0.000 1.662 172 M HN 0.282 8.590 8.290 0.030 0.000 0.440 173 L N 5.202 126.429 121.223 0.006 0.000 2.313 173 L HA 0.774 nan 4.340 nan 0.000 0.283 173 L C -2.491 174.283 176.870 -0.161 0.000 1.013 173 L CA -1.222 53.496 54.840 -0.203 0.000 0.816 173 L CB 2.976 44.661 42.059 -0.623 0.000 1.236 173 L HN 0.716 9.020 8.230 0.123 0.000 0.419 174 V N 7.146 126.835 119.914 -0.375 0.000 2.398 174 V HA 0.690 nan 4.120 nan 0.000 0.286 174 V C -1.962 173.963 176.094 -0.281 0.000 1.026 174 V CA -1.131 60.932 62.300 -0.395 0.000 0.868 174 V CB 1.254 32.602 31.823 -0.793 0.000 0.982 174 V HN 0.829 8.705 8.190 -0.522 0.000 0.443 175 L N 8.819 130.002 121.223 -0.067 0.000 2.381 175 L HA 0.889 nan 4.340 nan 0.000 0.274 175 L C -2.849 174.056 176.870 0.059 0.000 0.988 175 L CA -1.240 53.620 54.840 0.034 0.000 0.824 175 L CB 4.416 46.538 42.059 0.104 0.000 1.263 175 L HN 0.853 9.068 8.230 -0.025 0.000 0.410 176 A N 5.992 128.865 122.820 0.089 0.000 2.331 176 A HA 0.961 nan 4.320 nan 0.000 0.320 176 A C -2.202 175.552 177.584 0.284 0.000 1.138 176 A CA -1.458 50.688 52.037 0.182 0.000 0.790 176 A CB 2.658 21.805 19.000 0.244 0.000 1.206 176 A HN 0.889 9.076 8.150 0.062 0.000 0.470 177 M N 1.804 121.573 119.600 0.283 0.000 2.846 177 M HA 0.568 nan 4.480 nan 0.000 0.282 177 M C 0.753 177.213 176.300 0.266 0.000 1.266 177 M CA -1.075 54.392 55.300 0.279 0.000 0.766 177 M CB 4.113 36.828 32.600 0.193 0.000 1.739 177 M HN 0.293 8.719 8.290 0.226 0.000 0.442 178 V N 1.144 121.192 119.914 0.222 0.000 2.370 178 V HA -0.455 nan 4.120 nan 0.000 0.252 178 V C 0.818 176.963 176.094 0.086 0.000 1.068 178 V CA 3.565 65.955 62.300 0.150 0.000 1.061 178 V CB -0.035 31.864 31.823 0.127 0.000 0.656 178 V HN 0.916 9.230 8.190 0.207 0.000 0.455 179 N N -4.725 114.034 118.700 0.098 0.000 2.494 179 N HA -0.108 nan 4.740 nan 0.000 0.182 179 N C 0.411 175.967 175.510 0.077 0.000 1.076 179 N CA 0.534 53.632 53.050 0.080 0.000 0.908 179 N CB 0.153 38.695 38.487 0.091 0.000 0.967 179 N HN 0.043 8.447 8.380 0.123 0.050 0.449 180 G N -2.378 106.470 108.800 0.080 0.000 2.369 180 G HA2 -0.126 nan 3.960 nan 0.000 0.293 180 G HA3 -0.126 nan 3.960 nan 0.000 0.293 180 G C -3.261 171.675 174.900 0.061 0.000 1.301 180 G CA -0.403 44.728 45.100 0.052 0.000 0.913 180 G HN -0.468 7.881 8.290 0.099 0.000 0.540 181 V N 0.313 120.238 119.914 0.018 0.000 2.459 181 V HA 0.627 nan 4.120 nan 0.000 0.295 181 V C -1.072 174.986 176.094 -0.060 0.000 1.029 181 V CA -1.760 60.537 62.300 -0.006 0.000 0.874 181 V CB 1.726 33.533 31.823 -0.026 0.000 0.985 181 V HN 0.306 8.498 8.190 0.002 0.000 0.438 182 N N 4.632 123.264 118.700 -0.114 0.000 2.225 182 N HA 0.673 nan 4.740 nan 0.000 0.298 182 N C -2.094 173.184 175.510 -0.386 0.000 1.076 182 N CA -0.827 52.033 53.050 -0.316 0.000 0.792 182 N CB 4.920 43.086 38.487 -0.535 0.000 1.498 182 N HN 0.553 8.896 8.380 -0.062 0.000 0.474 183 C N 0.754 119.756 119.300 -0.497 0.000 2.351 183 C HA 0.870 nan 4.460 nan 0.000 0.326 183 C C -1.272 173.363 174.990 -0.592 0.000 1.272 183 C CA -0.892 57.909 59.018 -0.361 0.000 1.650 183 C CB 0.855 28.502 27.740 -0.154 0.000 2.257 183 C HN 0.694 8.625 8.230 -0.498 0.000 0.505 184 F N 3.128 123.011 119.950 -0.111 0.000 2.482 184 F HA 0.621 nan 4.527 nan 0.000 0.331 184 F C -1.757 174.130 175.800 0.144 0.000 1.115 184 F CA -1.765 56.228 58.000 -0.013 0.000 0.955 184 F CB 3.077 42.035 39.000 -0.071 0.000 1.136 184 F HN 1.013 9.372 8.300 0.098 0.000 0.452 185 M N 3.455 123.234 119.600 0.298 0.000 2.209 185 M HA 0.546 nan 4.480 nan 0.000 0.355 185 M C -1.749 174.683 176.300 0.221 0.000 1.171 185 M CA -1.683 53.758 55.300 0.234 0.000 1.069 185 M CB 2.212 34.877 32.600 0.108 0.000 1.622 185 M HN 0.616 9.046 8.290 0.232 0.000 0.459 186 L N 6.767 128.029 121.223 0.066 0.000 2.360 186 L HA 0.178 nan 4.340 nan 0.000 0.276 186 L C -1.452 175.325 176.870 -0.154 0.000 1.121 186 L CA 0.260 54.896 54.840 -0.340 0.000 0.845 186 L CB 0.841 42.571 42.059 -0.548 0.000 1.143 186 L HN 0.398 8.716 8.230 0.147 0.000 0.452 187 D N 8.216 128.527 120.400 -0.149 0.000 2.411 187 D HA 0.320 nan 4.640 nan 0.000 0.225 187 D C -0.913 175.317 176.300 -0.117 0.000 1.156 187 D CA -3.301 50.647 54.000 -0.087 0.000 0.874 187 D CB 1.572 42.344 40.800 -0.047 0.000 1.034 187 D HN 0.031 8.294 8.370 -0.178 0.000 0.502 188 P HA 0.000 nan 4.420 nan 0.000 0.233 188 P C -0.309 176.949 177.300 -0.070 0.000 1.167 188 P CA 0.628 63.669 63.100 -0.099 0.000 0.770 188 P CB 0.032 31.687 31.700 -0.075 0.000 0.837 189 A N -0.069 122.719 122.820 -0.053 0.000 1.930 189 A HA -0.156 nan 4.320 nan 0.000 0.217 189 A C 1.043 178.603 177.584 -0.040 0.000 1.175 189 A CA 2.006 54.020 52.037 -0.038 0.000 0.627 189 A CB 0.220 19.204 19.000 -0.026 0.000 0.815 189 A HN -0.093 8.153 8.150 -0.051 -0.127 0.443 190 I N -9.419 111.123 120.570 -0.048 0.000 4.227 190 I HA 0.327 nan 4.170 nan 0.000 0.334 190 I C 0.793 176.875 176.117 -0.059 0.000 1.341 190 I CA -1.010 60.265 61.300 -0.042 0.000 1.123 190 I CB 1.283 39.266 38.000 -0.029 0.000 1.097 190 I HN -0.794 7.381 8.210 -0.057 0.000 0.399 191 G N 1.021 109.764 108.800 -0.095 0.000 2.246 191 G HA2 -0.407 nan 3.960 nan 0.000 0.273 191 G HA3 -0.407 nan 3.960 nan 0.000 0.273 191 G C -1.258 173.561 174.900 -0.135 0.000 1.055 191 G CA 0.722 45.745 45.100 -0.129 0.000 0.851 191 G HN -0.098 8.130 8.290 -0.103 0.000 0.500 192 E N -1.374 118.743 120.200 -0.139 0.000 2.238 192 E HA 0.426 nan 4.350 nan 0.000 0.267 192 E C -1.589 174.942 176.600 -0.114 0.000 0.887 192 E CA -2.446 53.909 56.400 -0.074 0.000 0.769 192 E CB 3.926 33.626 29.700 -0.000 0.000 1.187 192 E HN -0.803 7.471 8.360 -0.145 0.000 0.416 193 F N 1.306 121.265 119.950 0.014 0.000 2.410 193 F HA 0.457 nan 4.527 nan 0.000 0.348 193 F C -0.256 175.628 175.800 0.141 0.000 1.106 193 F CA 0.038 58.073 58.000 0.060 0.000 1.163 193 F CB 1.218 40.209 39.000 -0.016 0.000 1.129 193 F HN 0.468 8.904 8.300 0.226 0.000 0.516 194 I N 3.546 124.329 120.570 0.356 0.000 2.433 194 I HA 0.405 nan 4.170 nan 0.000 0.292 194 I C -1.504 174.764 176.117 0.253 0.000 1.001 194 I CA -1.432 60.030 61.300 0.269 0.000 1.119 194 I CB 3.285 41.365 38.000 0.133 0.000 1.289 194 I HN 0.727 9.132 8.210 0.326 0.000 0.438 195 L N 8.993 130.322 121.223 0.177 0.000 2.500 195 L HA -0.028 nan 4.340 nan 0.000 0.272 195 L C -1.039 175.717 176.870 -0.190 0.000 1.149 195 L CA 1.369 56.046 54.840 -0.271 0.000 0.897 195 L CB 0.023 41.950 42.059 -0.221 0.000 1.178 195 L HN 0.228 8.603 8.230 0.241 0.000 0.473 196 V N 1.816 121.584 119.914 -0.245 0.000 3.645 196 V HA 0.406 nan 4.120 nan 0.000 0.275 196 V C 0.088 176.097 176.094 -0.142 0.000 1.356 196 V CA -0.222 62.002 62.300 -0.126 0.000 1.051 196 V CB 0.855 32.646 31.823 -0.054 0.000 0.828 196 V HN 0.675 8.643 8.190 -0.370 0.000 0.441 197 D N 0.475 120.737 120.400 -0.230 0.000 2.764 197 D HA 0.237 nan 4.640 nan 0.000 0.227 197 D C -2.573 173.589 176.300 -0.230 0.000 1.347 197 D CA -0.189 53.708 54.000 -0.172 0.000 0.953 197 D CB 3.444 44.166 40.800 -0.131 0.000 1.476 197 D HN -0.620 7.528 8.370 -0.371 0.000 0.585 198 R N 2.921 123.329 120.500 -0.152 0.000 2.393 198 R HA 0.244 nan 4.340 nan 0.000 0.310 198 R C -0.463 175.793 176.300 -0.074 0.000 0.968 198 R CA -0.752 55.271 56.100 -0.129 0.000 0.867 198 R CB 1.224 31.485 30.300 -0.065 0.000 1.124 198 R HN 0.189 8.395 8.270 -0.105 0.000 0.450 199 N N 2.672 121.338 118.700 -0.056 0.000 2.708 199 N HA -0.418 nan 4.740 nan 0.000 0.255 199 N C -0.448 175.043 175.510 -0.032 0.000 1.046 199 N CA 1.311 54.348 53.050 -0.022 0.000 0.715 199 N CB -0.915 37.571 38.487 -0.001 0.000 0.895 199 N HN 0.115 8.766 8.380 -0.073 -0.314 0.545 200 V N -1.913 117.973 119.914 -0.047 0.000 2.637 200 V HA -0.147 nan 4.120 nan 0.000 0.296 200 V C -0.531 175.546 176.094 -0.029 0.000 1.046 200 V CA 1.027 63.301 62.300 -0.042 0.000 1.066 200 V CB 0.348 32.139 31.823 -0.055 0.000 0.968 200 V HN -0.282 7.873 8.190 -0.059 0.000 0.483 201 K N 3.879 124.266 120.400 -0.022 0.000 2.397 201 K HA 0.279 nan 4.320 nan 0.000 0.253 201 K C -1.119 175.475 176.600 -0.010 0.000 0.932 201 K CA -1.606 54.672 56.287 -0.015 0.000 0.795 201 K CB 2.646 35.141 32.500 -0.009 0.000 1.159 201 K HN -0.160 8.077 8.250 -0.021 0.000 0.424 202 I N 4.409 124.975 120.570 -0.007 0.000 2.638 202 I HA -0.028 nan 4.170 nan 0.000 0.286 202 I C -1.133 174.991 176.117 0.011 0.000 1.088 202 I CA -0.313 60.987 61.300 0.001 0.000 1.397 202 I CB 1.579 39.581 38.000 0.004 0.000 1.414 202 I HN 0.412 8.617 8.210 -0.008 0.000 0.566 203 K N 7.415 127.826 120.400 0.019 0.000 2.469 203 K HA -0.135 nan 4.320 nan 0.000 0.274 203 K C 0.744 177.362 176.600 0.029 0.000 0.983 203 K CA 1.057 57.357 56.287 0.022 0.000 0.974 203 K CB 0.395 32.909 32.500 0.023 0.000 0.913 203 K HN 0.441 8.703 8.250 0.021 0.000 0.493 204 K N 1.505 121.922 120.400 0.029 0.000 2.148 204 K HA -0.230 nan 4.320 nan 0.000 0.204 204 K C 0.260 176.893 176.600 0.054 0.000 1.050 204 K CA 1.979 58.288 56.287 0.036 0.000 0.942 204 K CB 0.161 32.680 32.500 0.031 0.000 0.724 204 K HN 0.431 8.695 8.250 0.023 0.000 0.446 205 K N -3.387 117.046 120.400 0.055 0.000 2.468 205 K HA 0.248 nan 4.320 nan 0.000 0.252 205 K C -1.295 175.333 176.600 0.047 0.000 0.932 205 K CA -1.492 54.843 56.287 0.080 0.000 0.794 205 K CB 2.895 35.449 32.500 0.090 0.000 1.241 205 K HN -0.727 7.532 8.250 0.040 0.015 0.428 206 G N 1.505 110.332 108.800 0.045 0.000 2.938 206 G HA2 0.355 nan 3.960 nan 0.000 0.258 206 G HA3 0.355 nan 3.960 nan 0.000 0.258 206 G C -1.295 173.408 174.900 -0.328 0.000 1.356 206 G CA -1.025 44.042 45.100 -0.055 0.000 1.052 206 G HN 0.152 8.803 8.290 0.116 -0.291 0.550 207 S N -1.453 113.960 115.700 -0.478 0.000 2.952 207 S HA 0.333 nan 4.470 nan 0.000 0.251 207 S C -1.561 172.650 174.600 -0.649 0.000 1.021 207 S CA 0.209 57.857 58.200 -0.919 0.000 1.067 207 S CB 1.050 63.991 63.200 -0.431 0.000 1.002 207 S HN 0.264 8.425 8.310 -0.248 0.000 0.574 208 I N 0.142 120.554 120.570 -0.262 0.000 2.686 208 I HA 0.702 nan 4.170 nan 0.000 0.295 208 I C -2.463 173.861 176.117 0.345 0.000 1.114 208 I CA -0.734 60.613 61.300 0.078 0.000 1.038 208 I CB 4.546 42.587 38.000 0.068 0.000 1.238 208 I HN -0.842 7.241 8.210 -0.213 0.000 0.420 209 Y N 3.779 124.252 120.300 0.288 0.000 2.485 209 Y HA 0.786 nan 4.550 nan 0.000 0.345 209 Y C -2.536 173.488 175.900 0.207 0.000 0.998 209 Y CA -3.057 55.210 58.100 0.278 0.000 1.059 209 Y CB 2.966 41.587 38.460 0.267 0.000 1.234 209 Y HN 0.406 8.757 8.280 0.120 0.000 0.461 210 S N 1.002 116.822 115.700 0.200 0.000 2.756 210 S HA 0.352 nan 4.470 nan 0.000 0.303 210 S C -2.347 172.307 174.600 0.090 0.000 1.135 210 S CA -0.979 57.338 58.200 0.195 0.000 1.066 210 S CB 1.464 64.923 63.200 0.432 0.000 1.008 210 S HN 0.282 8.771 8.310 0.299 0.000 0.482 211 I N 3.790 124.312 120.570 -0.080 0.000 2.908 211 I HA 0.161 nan 4.170 nan 0.000 0.300 211 I C -2.636 173.007 176.117 -0.790 0.000 1.385 211 I CA -0.997 60.079 61.300 -0.373 0.000 1.004 211 I CB 4.334 42.241 38.000 -0.155 0.000 1.309 211 I HN -0.079 8.072 8.210 -0.099 0.000 0.449 212 N N 5.772 123.857 118.700 -1.024 0.000 2.448 212 N HA -0.022 nan 4.740 nan 0.000 0.250 212 N C 0.564 175.946 175.510 -0.213 0.000 1.136 212 N CA -0.470 52.111 53.050 -0.781 0.000 0.953 212 N CB -0.601 37.607 38.487 -0.466 0.000 1.251 212 N HN 0.477 8.361 8.380 -0.827 0.000 0.502 213 E N 6.196 126.320 120.200 -0.127 0.000 2.516 213 E HA -0.141 nan 4.350 nan 0.000 0.199 213 E C 1.485 177.969 176.600 -0.193 0.000 1.069 213 E CA 1.146 57.548 56.400 0.003 0.000 0.876 213 E CB -0.263 29.471 29.700 0.056 0.000 0.843 213 E HN 0.128 8.376 8.360 -0.187 0.000 0.530 214 G N -0.402 108.205 108.800 -0.322 0.000 2.625 214 G HA2 -0.137 nan 3.960 nan 0.000 0.214 214 G HA3 -0.137 nan 3.960 nan 0.000 0.214 214 G C 0.350 174.942 174.900 -0.514 0.000 1.132 214 G CA 0.974 45.838 45.100 -0.394 0.000 0.782 214 G HN -0.406 7.864 8.290 -0.343 -0.186 0.538 215 Y N -1.265 118.827 120.300 -0.346 0.000 2.524 215 Y HA 0.154 nan 4.550 nan 0.000 0.266 215 Y C 0.273 175.518 175.900 -1.092 0.000 1.180 215 Y CA -2.535 55.265 58.100 -0.500 0.000 1.244 215 Y CB -1.232 37.041 38.460 -0.311 0.000 1.125 215 Y HN -0.792 7.159 8.280 -0.453 0.057 0.524 216 A N 1.014 123.260 122.820 -0.957 0.000 1.997 216 A HA -0.405 nan 4.320 nan 0.000 0.221 216 A C 1.700 178.957 177.584 -0.544 0.000 1.172 216 A CA 3.601 55.055 52.037 -0.973 0.000 0.645 216 A CB -0.784 18.004 19.000 -0.354 0.000 0.813 216 A HN -0.249 7.379 8.150 -0.602 0.161 0.454 217 K N -3.178 117.021 120.400 -0.334 0.000 2.211 217 K HA -0.241 nan 4.320 nan 0.000 0.203 217 K C 1.208 177.733 176.600 -0.125 0.000 1.050 217 K CA 2.477 58.664 56.287 -0.166 0.000 0.945 217 K CB -0.138 32.299 32.500 -0.105 0.000 0.732 217 K HN 0.144 8.175 8.250 -0.322 0.026 0.451 218 E N -4.625 115.481 120.200 -0.158 0.000 2.481 218 E HA 0.070 nan 4.350 nan 0.000 0.198 218 E C 0.492 177.152 176.600 0.101 0.000 1.027 218 E CA -1.096 55.289 56.400 -0.024 0.000 0.900 218 E CB 0.160 29.860 29.700 0.001 0.000 0.993 218 E HN -0.241 7.794 8.360 -0.293 0.148 0.482 219 F N 1.195 121.147 119.950 0.003 0.000 2.471 219 F HA -0.098 nan 4.527 nan 0.000 0.353 219 F C 0.585 176.365 175.800 -0.032 0.000 1.113 219 F CA -1.069 56.920 58.000 -0.019 0.000 1.262 219 F CB -0.145 38.837 39.000 -0.030 0.000 1.146 219 F HN -0.807 7.354 8.300 -0.118 0.068 0.578 220 D N 2.829 123.327 120.400 0.162 0.000 2.360 220 D HA 0.109 nan 4.640 nan 0.000 0.242 220 D C -0.280 175.986 176.300 -0.057 0.000 1.184 220 D CA -1.421 52.602 54.000 0.039 0.000 0.930 220 D CB -0.320 40.498 40.800 0.030 0.000 1.161 220 D HN 0.347 8.813 8.370 0.160 0.000 0.447 221 P HA -0.186 nan 4.420 nan 0.000 0.222 221 P C 0.374 177.383 177.300 -0.485 0.000 1.147 221 P CA 2.150 65.128 63.100 -0.203 0.000 0.790 221 P CB 0.029 31.677 31.700 -0.085 0.000 0.780 222 A N -0.948 121.452 122.820 -0.701 0.000 1.930 222 A HA -0.161 nan 4.320 nan 0.000 0.215 222 A C 2.065 179.326 177.584 -0.538 0.000 1.176 222 A CA 2.972 54.487 52.037 -0.870 0.000 0.632 222 A CB -0.584 17.591 19.000 -1.376 0.000 0.819 222 A HN -0.223 7.727 8.150 -0.589 -0.153 0.445 223 I N -1.434 118.873 120.570 -0.439 0.000 2.163 223 I HA -0.489 nan 4.170 nan 0.000 0.240 223 I C 1.897 177.909 176.117 -0.174 0.000 1.081 223 I CA 2.749 63.867 61.300 -0.303 0.000 1.353 223 I CB -1.374 36.361 38.000 -0.443 0.000 1.054 223 I HN -0.234 7.981 8.210 -0.448 -0.274 0.407 224 T N 1.602 116.097 114.554 -0.098 0.000 2.699 224 T HA -0.412 nan 4.350 nan 0.000 0.268 224 T C 2.044 176.713 174.700 -0.053 0.000 1.036 224 T CA 5.103 67.207 62.100 0.006 0.000 1.147 224 T CB -0.709 68.181 68.868 0.037 0.000 0.862 224 T HN -0.066 8.114 8.240 -0.099 0.000 0.446 225 E N 1.555 121.692 120.200 -0.105 0.000 2.047 225 E HA -0.319 nan 4.350 nan 0.000 0.191 225 E C 1.628 178.171 176.600 -0.095 0.000 0.987 225 E CA 2.862 59.211 56.400 -0.085 0.000 0.799 225 E CB 0.010 29.659 29.700 -0.085 0.000 0.752 225 E HN -0.573 7.591 8.360 -0.172 0.092 0.449 226 Y N 0.633 120.806 120.300 -0.211 0.000 2.128 226 Y HA -0.407 nan 4.550 nan 0.000 0.284 226 Y C 2.138 177.880 175.900 -0.264 0.000 1.154 226 Y CA 3.591 61.558 58.100 -0.221 0.000 1.149 226 Y CB 0.076 38.397 38.460 -0.232 0.000 0.976 226 Y HN -0.052 8.213 8.280 -0.027 0.000 0.505 227 I N -2.158 118.224 120.570 -0.314 0.000 2.226 227 I HA -0.658 nan 4.170 nan 0.000 0.245 227 I C 1.814 177.702 176.117 -0.381 0.000 1.100 227 I CA 3.687 64.720 61.300 -0.445 0.000 1.374 227 I CB -0.442 37.438 38.000 -0.200 0.000 1.057 227 I HN 0.289 8.418 8.210 -0.136 0.000 0.413 228 Q N -0.529 119.158 119.800 -0.188 0.000 2.061 228 Q HA -0.385 nan 4.340 nan 0.000 0.204 228 Q C 2.049 178.013 176.000 -0.060 0.000 0.984 228 Q CA 3.185 58.968 55.803 -0.033 0.000 0.846 228 Q CB -0.556 28.166 28.738 -0.026 0.000 0.902 228 Q HN -0.595 7.568 8.270 -0.156 0.013 0.421 229 R N -2.527 117.842 120.500 -0.218 0.000 2.148 229 R HA -0.281 nan 4.340 nan 0.000 0.227 229 R C 0.384 176.462 176.300 -0.369 0.000 1.103 229 R CA 2.900 58.849 56.100 -0.251 0.000 0.983 229 R CB -0.045 30.068 30.300 -0.311 0.000 0.874 229 R HN -0.493 7.623 8.270 -0.256 0.000 0.451 230 K N -4.231 115.824 120.400 -0.576 0.000 2.167 230 K HA -0.104 nan 4.320 nan 0.000 0.203 230 K C 1.910 178.292 176.600 -0.363 0.000 1.052 230 K CA 1.887 57.786 56.287 -0.647 0.000 0.956 230 K CB -0.195 31.722 32.500 -0.972 0.000 0.735 230 K HN -0.710 7.021 8.250 -0.652 0.128 0.451 231 K N -1.696 118.515 120.400 -0.315 0.000 2.166 231 K HA -0.079 nan 4.320 nan 0.000 0.201 231 K C 1.072 177.358 176.600 -0.523 0.000 1.052 231 K CA 2.432 58.497 56.287 -0.371 0.000 0.969 231 K CB 0.858 33.111 32.500 -0.411 0.000 0.761 231 K HN -0.526 7.450 8.250 -0.308 0.090 0.459 232 F N -0.400 119.482 119.950 -0.113 0.000 2.453 232 F HA 0.344 nan 4.527 nan 0.000 0.358 232 F C -2.331 173.410 175.800 -0.098 0.000 1.129 232 F CA -2.975 54.976 58.000 -0.081 0.000 1.200 232 F CB 0.388 39.346 39.000 -0.071 0.000 1.431 232 F HN -0.235 8.081 8.300 0.027 0.000 0.503 233 P HA 0.271 nan 4.420 nan 0.000 0.271 233 P C -1.471 175.835 177.300 0.010 0.000 1.220 233 P CA -1.634 61.451 63.100 -0.025 0.000 0.768 233 P CB 0.167 31.846 31.700 -0.035 0.000 0.848 234 P HA -0.200 nan 4.420 nan 0.000 0.215 234 P C -0.692 176.611 177.300 0.006 0.000 1.153 234 P CA 2.143 65.244 63.100 0.002 0.000 0.853 234 P CB -0.222 31.471 31.700 -0.012 0.000 0.788 235 D N -4.577 115.826 120.400 0.004 0.000 2.363 235 D HA -0.173 nan 4.640 nan 0.000 0.226 235 D C -0.074 176.233 176.300 0.013 0.000 1.020 235 D CA -0.430 53.575 54.000 0.008 0.000 0.892 235 D CB -0.942 39.863 40.800 0.008 0.000 0.900 235 D HN 0.007 8.361 8.370 -0.003 0.014 0.531 236 N N -0.657 118.053 118.700 0.017 0.000 2.740 236 N HA -0.376 nan 4.740 nan 0.000 0.248 236 N C -0.973 174.547 175.510 0.018 0.000 1.062 236 N CA 0.554 53.616 53.050 0.020 0.000 0.704 236 N CB -0.874 37.625 38.487 0.021 0.000 0.968 236 N HN 0.084 8.277 8.380 0.017 0.198 0.547 237 S N -1.310 114.402 115.700 0.020 0.000 2.713 237 S HA 0.102 nan 4.470 nan 0.000 0.277 237 S C -0.871 173.746 174.600 0.029 0.000 1.168 237 S CA -0.377 57.839 58.200 0.027 0.000 0.994 237 S CB 1.942 65.166 63.200 0.040 0.000 1.054 237 S HN -0.629 7.671 8.310 0.018 0.021 0.555 238 A N 0.343 123.186 122.820 0.039 0.000 2.511 238 A HA 0.136 nan 4.320 nan 0.000 0.242 238 A C -1.277 176.350 177.584 0.072 0.000 1.069 238 A CA -1.464 50.597 52.037 0.040 0.000 0.763 238 A CB -0.967 18.055 19.000 0.037 0.000 1.001 238 A HN 0.128 8.302 8.150 0.041 0.000 0.498 239 P HA -0.015 nan 4.420 nan 0.000 0.270 239 P C -1.494 175.945 177.300 0.231 0.000 1.223 239 P CA -0.408 62.728 63.100 0.060 0.000 0.785 239 P CB 0.489 32.167 31.700 -0.037 0.000 0.923 240 Y N 0.466 120.784 120.300 0.029 0.000 2.397 240 Y HA -0.120 nan 4.550 nan 0.000 0.335 240 Y C 0.735 176.728 175.900 0.154 0.000 1.213 240 Y CA 0.460 58.633 58.100 0.122 0.000 1.391 240 Y CB 0.715 39.314 38.460 0.232 0.000 1.293 240 Y HN -0.220 8.204 8.280 0.241 0.000 0.557 241 G N 0.489 109.397 108.800 0.180 0.000 2.539 241 G HA2 0.063 nan 3.960 nan 0.000 0.258 241 G HA3 0.063 nan 3.960 nan 0.000 0.258 241 G C -2.576 172.320 174.900 -0.006 0.000 1.202 241 G CA -0.653 44.495 45.100 0.079 0.000 0.851 241 G HN 0.333 8.670 8.290 0.079 0.000 0.556 242 A N 1.216 123.947 122.820 -0.149 0.000 2.337 242 A HA 0.756 nan 4.320 nan 0.000 0.329 242 A C -0.984 176.498 177.584 -0.170 0.000 1.146 242 A CA -0.884 50.893 52.037 -0.433 0.000 0.800 242 A CB 1.783 20.481 19.000 -0.503 0.000 1.220 242 A HN -0.034 8.075 8.150 -0.068 0.000 0.472 243 R N 1.036 121.465 120.500 -0.119 0.000 2.548 243 R HA 0.263 nan 4.340 nan 0.000 0.280 243 R C -2.416 173.974 176.300 0.150 0.000 1.061 243 R CA -1.137 54.978 56.100 0.026 0.000 0.915 243 R CB 4.325 34.656 30.300 0.051 0.000 1.210 243 R HN 0.189 8.338 8.270 -0.202 0.000 0.442 244 Y N 3.651 123.958 120.300 0.012 0.000 2.379 244 Y HA 0.063 nan 4.550 nan 0.000 0.342 244 Y C -1.354 174.588 175.900 0.070 0.000 1.126 244 Y CA -0.466 57.677 58.100 0.070 0.000 1.310 244 Y CB 0.251 38.744 38.460 0.055 0.000 1.115 244 Y HN -0.171 8.209 8.280 0.167 0.000 0.505 245 V N 6.471 126.299 119.914 -0.144 0.000 2.427 245 V HA -0.172 nan 4.120 nan 0.000 0.248 245 V C 0.552 176.507 176.094 -0.230 0.000 1.051 245 V CA 2.094 64.312 62.300 -0.137 0.000 1.048 245 V CB 0.118 31.873 31.823 -0.113 0.000 0.666 245 V HN 0.464 8.945 8.190 -0.101 -0.351 0.456 246 G N -2.759 105.729 108.800 -0.521 0.000 2.195 246 G HA2 -0.310 nan 3.960 nan 0.000 0.224 246 G HA3 -0.310 nan 3.960 nan 0.000 0.224 246 G C -0.849 173.948 174.900 -0.171 0.000 0.990 246 G CA -0.193 44.701 45.100 -0.342 0.000 0.639 246 G HN -0.182 7.889 8.290 -0.810 -0.267 0.514 247 S N 1.695 117.285 115.700 -0.182 0.000 2.530 247 S HA 0.287 nan 4.470 nan 0.000 0.322 247 S C -0.177 174.306 174.600 -0.195 0.000 1.085 247 S CA -1.773 56.352 58.200 -0.126 0.000 1.096 247 S CB 1.251 64.386 63.200 -0.108 0.000 0.988 247 S HN -0.603 7.510 8.310 -0.228 0.060 0.466 248 M N 6.900 126.399 119.600 -0.169 0.000 2.106 248 M HA -0.399 nan 4.480 nan 0.000 0.259 248 M C 0.982 177.018 176.300 -0.440 0.000 1.068 248 M CA 3.979 59.081 55.300 -0.332 0.000 1.100 248 M CB -0.112 32.368 32.600 -0.200 0.000 1.351 248 M HN 0.839 9.082 8.290 -0.079 0.000 0.404 249 V N -1.653 118.049 119.914 -0.353 0.000 2.287 249 V HA -0.458 nan 4.120 nan 0.000 0.248 249 V C 1.487 177.325 176.094 -0.428 0.000 1.053 249 V CA 4.511 66.525 62.300 -0.476 0.000 1.027 249 V CB -1.425 30.176 31.823 -0.370 0.000 0.646 249 V HN 0.168 8.480 8.190 -0.254 -0.274 0.447 250 A N -1.729 120.921 122.820 -0.283 0.000 1.929 250 A HA -0.260 nan 4.320 nan 0.000 0.216 250 A C 2.029 179.493 177.584 -0.201 0.000 1.176 250 A CA 3.265 55.187 52.037 -0.191 0.000 0.628 250 A CB -0.767 18.150 19.000 -0.139 0.000 0.816 250 A HN -0.463 7.435 8.150 -0.255 0.099 0.444 251 D N -1.100 119.131 120.400 -0.282 0.000 2.194 251 D HA -0.142 nan 4.640 nan 0.000 0.204 251 D C 2.281 178.384 176.300 -0.329 0.000 0.964 251 D CA 3.764 57.612 54.000 -0.254 0.000 0.846 251 D CB 0.263 40.935 40.800 -0.214 0.000 0.962 251 D HN -0.216 7.873 8.370 -0.331 0.082 0.490 252 V N 0.049 119.664 119.914 -0.497 0.000 2.453 252 V HA -0.328 nan 4.120 nan 0.000 0.247 252 V C 1.724 177.671 176.094 -0.244 0.000 1.048 252 V CA 4.597 66.660 62.300 -0.395 0.000 1.049 252 V CB -0.582 30.962 31.823 -0.466 0.000 0.672 252 V HN 0.527 8.375 8.190 -0.571 0.000 0.457 253 H N 0.618 119.490 119.070 -0.330 0.000 2.321 253 H HA -0.316 nan 4.556 nan 0.000 0.300 253 H C 1.717 176.933 175.328 -0.187 0.000 1.087 253 H CA 4.130 60.078 56.048 -0.166 0.000 1.319 253 H CB 0.156 29.837 29.762 -0.135 0.000 1.379 253 H HN -0.006 8.109 8.280 -0.275 0.000 0.501 254 R N -1.798 118.522 120.500 -0.301 0.000 2.096 254 R HA -0.341 nan 4.340 nan 0.000 0.235 254 R C 2.148 178.242 176.300 -0.343 0.000 1.127 254 R CA 3.846 59.669 56.100 -0.462 0.000 0.968 254 R CB -0.108 30.002 30.300 -0.317 0.000 0.861 254 R HN -0.344 7.818 8.270 -0.180 0.000 0.440 255 T N 2.740 117.191 114.554 -0.171 0.000 2.708 255 T HA -0.251 nan 4.350 nan 0.000 0.266 255 T C 2.262 176.912 174.700 -0.082 0.000 1.037 255 T CA 4.551 66.618 62.100 -0.054 0.000 1.146 255 T CB -0.608 68.270 68.868 0.017 0.000 0.865 255 T HN -0.491 7.576 8.240 -0.165 0.074 0.435 256 L N 1.189 122.327 121.223 -0.143 0.000 1.989 256 L HA -0.299 nan 4.340 nan 0.000 0.211 256 L C 1.262 178.038 176.870 -0.158 0.000 1.071 256 L CA 3.397 58.160 54.840 -0.127 0.000 0.749 256 L CB -0.158 41.826 42.059 -0.125 0.000 0.890 256 L HN 0.054 8.181 8.230 -0.173 0.000 0.431 257 V N -2.388 117.345 119.914 -0.301 0.000 2.591 257 V HA -0.250 nan 4.120 nan 0.000 0.249 257 V C 2.056 178.167 176.094 0.029 0.000 1.053 257 V CA 3.246 65.415 62.300 -0.219 0.000 1.068 257 V CB 0.110 31.645 31.823 -0.479 0.000 0.689 257 V HN -0.277 7.640 8.190 -0.454 0.000 0.462 258 Y N -4.527 115.722 120.300 -0.085 0.000 2.462 258 Y HA 0.294 nan 4.550 nan 0.000 0.253 258 Y C -0.088 175.786 175.900 -0.044 0.000 1.095 258 Y CA -1.982 56.084 58.100 -0.056 0.000 1.283 258 Y CB 0.789 39.220 38.460 -0.049 0.000 1.138 258 Y HN 0.255 8.353 8.280 -0.139 0.099 0.522 259 G N -2.582 106.275 108.800 0.095 0.000 2.757 259 G HA2 -0.411 nan 3.960 nan 0.000 0.638 259 G HA3 -0.411 nan 3.960 nan 0.000 0.638 259 G C -1.029 173.922 174.900 0.084 0.000 1.344 259 G CA -0.390 44.751 45.100 0.068 0.000 0.855 259 G HN -0.202 8.020 8.290 0.045 0.095 0.537 260 G N -1.376 107.484 108.800 0.101 0.000 2.342 260 G HA2 -0.228 nan 3.960 nan 0.000 0.220 260 G HA3 -0.228 nan 3.960 nan 0.000 0.220 260 G C -2.800 172.229 174.900 0.214 0.000 1.243 260 G CA -0.405 44.790 45.100 0.158 0.000 1.083 260 G HN -0.127 8.222 8.290 0.100 0.000 0.500 261 I N -0.453 120.286 120.570 0.280 0.000 2.802 261 I HA 0.940 nan 4.170 nan 0.000 0.298 261 I C -2.963 173.336 176.117 0.304 0.000 1.176 261 I CA -2.442 59.018 61.300 0.267 0.000 1.025 261 I CB 3.801 41.962 38.000 0.269 0.000 1.243 261 I HN -0.003 8.395 8.210 0.314 0.000 0.424 262 F N 8.065 128.097 119.950 0.136 0.000 2.520 262 F HA 0.829 nan 4.527 nan 0.000 0.322 262 F C -2.690 173.189 175.800 0.132 0.000 1.103 262 F CA -2.055 56.033 58.000 0.147 0.000 0.926 262 F CB 4.189 43.256 39.000 0.111 0.000 1.154 262 F HN 0.042 8.518 8.300 0.294 0.000 0.453 263 M N 5.784 124.924 119.600 -0.767 0.000 2.378 263 M HA 0.420 nan 4.480 nan 0.000 0.289 263 M C -2.624 173.327 176.300 -0.581 0.000 1.136 263 M CA -0.313 54.703 55.300 -0.475 0.000 0.917 263 M CB 4.516 36.958 32.600 -0.263 0.000 1.669 263 M HN 0.650 8.333 8.290 -1.011 0.000 0.461 264 Y N 2.890 122.985 120.300 -0.340 0.000 2.517 264 Y HA 0.428 nan 4.550 nan 0.000 0.346 264 Y C -3.182 172.668 175.900 -0.083 0.000 1.113 264 Y CA -2.481 55.527 58.100 -0.154 0.000 1.295 264 Y CB 2.453 40.908 38.460 -0.009 0.000 1.094 264 Y HN 0.655 8.885 8.280 -0.083 0.000 0.608 265 P HA 0.099 nan 4.420 nan 0.000 0.277 265 P C -2.132 175.222 177.300 0.089 0.000 1.271 265 P CA -1.234 61.873 63.100 0.011 0.000 0.795 265 P CB 1.243 32.891 31.700 -0.088 0.000 1.101 266 A N -1.562 121.301 122.820 0.072 0.000 2.488 266 A HA -0.015 nan 4.320 nan 0.000 0.249 266 A C -1.054 176.575 177.584 0.075 0.000 1.083 266 A CA 0.246 52.326 52.037 0.071 0.000 0.768 266 A CB 0.384 19.413 19.000 0.050 0.000 1.017 266 A HN 0.217 8.398 8.150 0.051 0.000 0.496 267 N N 2.522 121.252 118.700 0.050 0.000 3.100 267 N HA 0.254 nan 4.740 nan 0.000 0.344 267 N C 0.216 175.732 175.510 0.009 0.000 1.413 267 N CA -1.097 51.977 53.050 0.040 0.000 0.752 267 N CB 1.776 40.211 38.487 -0.086 0.000 1.519 267 N HN -0.045 8.356 8.380 0.036 0.000 0.620 268 K N -2.685 117.713 120.400 -0.003 0.000 2.374 268 K HA 0.015 nan 4.320 nan 0.000 0.196 268 K C 0.345 176.944 176.600 -0.001 0.000 1.023 268 K CA 1.317 57.608 56.287 0.006 0.000 1.103 268 K CB 0.107 32.616 32.500 0.015 0.000 0.848 268 K HN 0.026 8.270 8.250 -0.010 0.000 0.528 269 K N -0.593 119.794 120.400 -0.021 0.000 2.166 269 K HA -0.059 nan 4.320 nan 0.000 0.201 269 K C 0.251 176.845 176.600 -0.010 0.000 1.052 269 K CA 1.576 57.857 56.287 -0.010 0.000 0.969 269 K CB 1.075 33.569 32.500 -0.009 0.000 0.761 269 K HN -0.082 8.450 8.250 -0.054 -0.314 0.459 270 S N 0.604 116.289 115.700 -0.026 0.000 2.328 270 S HA 0.476 nan 4.470 nan 0.000 0.204 270 S C -1.704 172.904 174.600 0.013 0.000 1.475 270 S CA -2.709 55.490 58.200 -0.001 0.000 1.148 270 S CB -0.007 63.202 63.200 0.014 0.000 1.077 270 S HN -0.397 8.220 8.310 -0.063 -0.344 0.479 271 P HA 0.006 nan 4.420 nan 0.000 0.229 271 P C -0.501 176.811 177.300 0.019 0.000 1.160 271 P CA 0.937 64.048 63.100 0.018 0.000 0.777 271 P CB 0.236 31.945 31.700 0.015 0.000 0.814 272 K N -2.683 117.725 120.400 0.013 0.000 2.593 272 K HA 0.129 nan 4.320 nan 0.000 0.208 272 K C -0.557 176.049 176.600 0.011 0.000 1.051 272 K CA -0.680 55.611 56.287 0.008 0.000 1.111 272 K CB -0.092 32.407 32.500 -0.002 0.000 0.849 272 K HN -0.488 7.729 8.250 0.010 0.040 0.479 273 G N 0.539 109.361 108.800 0.036 0.000 2.814 273 G HA2 -0.358 nan 3.960 nan 0.000 0.677 273 G HA3 -0.358 nan 3.960 nan 0.000 0.677 273 G C -1.269 173.620 174.900 -0.020 0.000 1.429 273 G CA -0.134 45.002 45.100 0.061 0.000 0.868 273 G HN -0.382 7.769 8.290 0.043 0.165 0.553 274 K N 0.126 120.434 120.400 -0.153 0.000 2.244 274 K HA 0.043 nan 4.320 nan 0.000 0.200 274 K C 0.417 176.873 176.600 -0.239 0.000 1.052 274 K CA 0.424 56.564 56.287 -0.244 0.000 0.980 274 K CB 0.842 33.076 32.500 -0.443 0.000 0.838 274 K HN 0.243 8.358 8.250 -0.225 0.000 0.481 275 L N 0.259 121.305 121.223 -0.294 0.000 2.410 275 L HA 0.015 nan 4.340 nan 0.000 0.273 275 L C -0.720 176.080 176.870 -0.116 0.000 1.152 275 L CA -0.303 54.436 54.840 -0.168 0.000 0.855 275 L CB 0.043 42.026 42.059 -0.128 0.000 1.129 275 L HN -0.269 7.753 8.230 -0.347 0.000 0.463 276 R N 2.106 122.529 120.500 -0.127 0.000 2.442 276 R HA -0.007 nan 4.340 nan 0.000 0.291 276 R C 0.888 177.001 176.300 -0.311 0.000 1.069 276 R CA 0.812 56.760 56.100 -0.252 0.000 1.022 276 R CB 0.242 30.271 30.300 -0.451 0.000 0.976 276 R HN 0.215 8.715 8.270 -0.079 -0.277 0.443 277 L N 6.287 127.353 121.223 -0.261 0.000 1.994 277 L HA -0.247 nan 4.340 nan 0.000 0.208 277 L C 0.665 177.423 176.870 -0.188 0.000 1.071 277 L CA 3.699 58.434 54.840 -0.175 0.000 0.745 277 L CB 0.127 42.118 42.059 -0.112 0.000 0.892 277 L HN 0.631 8.720 8.230 -0.236 0.000 0.431 278 L N -4.161 116.897 121.223 -0.275 0.000 2.141 278 L HA -0.308 nan 4.340 nan 0.000 0.209 278 L C 0.261 177.089 176.870 -0.071 0.000 1.094 278 L CA 2.618 57.386 54.840 -0.121 0.000 0.763 278 L CB 0.126 42.151 42.059 -0.056 0.000 0.908 278 L HN -0.044 7.974 8.230 -0.353 0.000 0.437 279 Y N -11.807 108.498 120.300 0.008 0.000 2.588 279 Y HA 0.167 nan 4.550 nan 0.000 0.247 279 Y C -1.088 174.807 175.900 -0.008 0.000 1.157 279 Y CA -2.160 55.939 58.100 -0.002 0.000 1.215 279 Y CB -0.017 38.434 38.460 -0.014 0.000 1.245 279 Y HN -0.648 7.070 8.280 -0.938 0.000 0.534 280 E N -0.357 119.862 120.200 0.032 0.000 2.756 280 E HA 0.115 nan 4.350 nan 0.000 0.192 280 E C 1.481 178.076 176.600 -0.008 0.000 1.022 280 E CA 1.191 57.611 56.400 0.035 0.000 1.224 280 E CB 1.906 31.622 29.700 0.028 0.000 1.252 280 E HN -0.427 7.846 8.360 -0.144 0.000 0.494 281 C N 0.980 120.263 119.300 -0.029 0.000 2.436 281 C HA -0.258 nan 4.460 nan 0.000 0.277 281 C C 1.879 176.877 174.990 0.014 0.000 1.241 281 C CA 4.967 63.985 59.018 0.000 0.000 1.721 281 C CB -1.108 26.626 27.740 -0.009 0.000 2.043 281 C HN 0.064 8.253 8.230 -0.070 0.000 0.472 282 N N -0.215 118.489 118.700 0.006 0.000 2.084 282 N HA -0.153 nan 4.740 nan 0.000 0.190 282 N C -1.033 174.501 175.510 0.040 0.000 1.030 282 N CA 4.729 57.802 53.050 0.039 0.000 0.849 282 N CB -1.558 36.958 38.487 0.049 0.000 1.012 282 N HN 0.126 8.492 8.380 -0.022 0.000 0.423 283 P HA -0.246 nan 4.420 nan 0.000 0.215 283 P C 1.302 178.623 177.300 0.035 0.000 1.157 283 P CA 3.137 66.212 63.100 -0.041 0.000 0.868 283 P CB -0.165 31.479 31.700 -0.093 0.000 0.788 284 M N -4.096 115.521 119.600 0.028 0.000 2.254 284 M HA -0.189 nan 4.480 nan 0.000 0.265 284 M C 2.201 178.541 176.300 0.066 0.000 1.066 284 M CA 1.461 56.784 55.300 0.039 0.000 1.123 284 M CB -1.208 31.375 32.600 -0.029 0.000 1.388 284 M HN -0.627 7.667 8.290 0.007 0.000 0.425 285 A N 0.382 123.247 122.820 0.074 0.000 1.898 285 A HA -0.266 nan 4.320 nan 0.000 0.216 285 A C 1.687 179.326 177.584 0.092 0.000 1.181 285 A CA 3.177 55.260 52.037 0.075 0.000 0.620 285 A CB -1.085 17.958 19.000 0.073 0.000 0.819 285 A HN 0.416 8.605 8.150 0.065 0.000 0.442 286 Y N -0.642 119.658 120.300 -0.000 0.000 2.181 286 Y HA -0.503 nan 4.550 nan 0.000 0.288 286 Y C 1.988 177.886 175.900 -0.003 0.000 1.146 286 Y CA 4.484 62.583 58.100 -0.002 0.000 1.164 286 Y CB 0.273 38.723 38.460 -0.017 0.000 0.982 286 Y HN 0.041 8.463 8.280 0.237 0.000 0.515 287 V N -0.046 119.974 119.914 0.176 0.000 2.295 287 V HA -0.537 nan 4.120 nan 0.000 0.246 287 V C 2.257 178.359 176.094 0.014 0.000 1.049 287 V CA 4.817 67.171 62.300 0.090 0.000 1.024 287 V CB -0.912 30.985 31.823 0.122 0.000 0.648 287 V HN -0.070 8.249 8.190 0.215 0.000 0.447 288 M N -1.658 117.956 119.600 0.023 0.000 2.117 288 M HA -0.419 nan 4.480 nan 0.000 0.262 288 M C 2.437 178.717 176.300 -0.033 0.000 1.065 288 M CA 2.609 57.912 55.300 0.004 0.000 1.114 288 M CB -1.371 31.242 32.600 0.022 0.000 1.361 288 M HN -0.034 8.286 8.290 0.050 0.000 0.408 289 E N -0.099 120.060 120.200 -0.068 0.000 2.072 289 E HA -0.333 nan 4.350 nan 0.000 0.191 289 E C 3.024 179.538 176.600 -0.144 0.000 0.985 289 E CA 3.156 59.494 56.400 -0.103 0.000 0.801 289 E CB -0.191 29.429 29.700 -0.132 0.000 0.750 289 E HN 0.230 8.555 8.360 -0.058 0.000 0.452 290 K N -1.873 118.396 120.400 -0.218 0.000 2.209 290 K HA -0.234 nan 4.320 nan 0.000 0.204 290 K C 0.965 177.515 176.600 -0.085 0.000 1.048 290 K CA 1.769 57.948 56.287 -0.180 0.000 0.940 290 K CB -0.417 31.955 32.500 -0.213 0.000 0.729 290 K HN 0.006 8.090 8.250 -0.276 0.000 0.451 291 A N -5.895 116.888 122.820 -0.061 0.000 2.251 291 A HA 0.150 nan 4.320 nan 0.000 0.209 291 A C -0.191 177.377 177.584 -0.027 0.000 1.187 291 A CA 0.104 52.120 52.037 -0.034 0.000 0.823 291 A CB 0.663 19.650 19.000 -0.022 0.000 0.846 291 A HN -0.327 7.679 8.150 -0.066 0.104 0.486 292 G N -3.914 104.867 108.800 -0.032 0.000 2.131 292 G HA2 -0.362 nan 3.960 nan 0.000 0.223 292 G HA3 -0.362 nan 3.960 nan 0.000 0.223 292 G C -0.724 174.172 174.900 -0.008 0.000 0.990 292 G CA -0.244 44.844 45.100 -0.019 0.000 0.671 292 G HN -0.132 7.952 8.290 -0.048 0.177 0.521 293 G N -1.410 107.386 108.800 -0.008 0.000 2.887 293 G HA2 0.835 nan 3.960 nan 0.000 0.277 293 G HA3 0.835 nan 3.960 nan 0.000 0.277 293 G C -1.567 173.335 174.900 0.003 0.000 1.346 293 G CA -1.660 43.444 45.100 0.007 0.000 1.058 293 G HN -0.133 8.046 8.290 -0.018 0.099 0.535 294 L N -1.093 120.137 121.223 0.013 0.000 2.341 294 L HA 0.321 nan 4.340 nan 0.000 0.267 294 L C -1.820 175.060 176.870 0.016 0.000 1.009 294 L CA -0.891 53.953 54.840 0.007 0.000 0.819 294 L CB 3.747 45.808 42.059 0.005 0.000 1.323 294 L HN -0.162 8.082 8.230 0.024 0.000 0.425 295 A N 0.172 122.999 122.820 0.012 0.000 2.385 295 A HA 0.642 nan 4.320 nan 0.000 0.290 295 A C -2.088 175.497 177.584 0.002 0.000 1.094 295 A CA -0.682 51.369 52.037 0.023 0.000 0.729 295 A CB 2.312 21.333 19.000 0.036 0.000 1.194 295 A HN 0.033 8.185 8.150 0.003 0.000 0.442 296 T N 4.588 119.133 114.554 -0.015 0.000 2.903 296 T HA 0.599 nan 4.350 nan 0.000 0.299 296 T C -0.299 174.359 174.700 -0.071 0.000 1.093 296 T CA -1.420 60.649 62.100 -0.051 0.000 1.002 296 T CB 3.171 71.992 68.868 -0.078 0.000 1.127 296 T HN 0.462 8.699 8.240 -0.006 0.000 0.488 297 T N 5.825 120.322 114.554 -0.095 0.000 3.055 297 T HA 0.071 nan 4.350 nan 0.000 0.265 297 T C 0.576 175.128 174.700 -0.246 0.000 1.111 297 T CA 2.137 64.165 62.100 -0.120 0.000 1.118 297 T CB 0.259 69.071 68.868 -0.094 0.000 0.909 297 T HN 0.741 8.931 8.240 -0.083 0.000 0.501 298 G N -0.818 107.778 108.800 -0.340 0.000 2.349 298 G HA2 -0.252 nan 3.960 nan 0.000 0.213 298 G HA3 -0.252 nan 3.960 nan 0.000 0.213 298 G C -0.831 173.747 174.900 -0.538 0.000 1.044 298 G CA 0.533 45.199 45.100 -0.724 0.000 0.633 298 G HN -0.324 7.757 8.290 -0.239 0.066 0.506 299 K N -0.175 120.037 120.400 -0.314 0.000 2.262 299 K HA 0.105 nan 4.320 nan 0.000 0.200 299 K C 0.444 176.978 176.600 -0.110 0.000 1.058 299 K CA 1.205 57.386 56.287 -0.176 0.000 0.974 299 K CB 0.736 33.164 32.500 -0.121 0.000 0.910 299 K HN 0.318 8.319 8.250 -0.283 0.080 0.484 300 E N -1.588 118.553 120.200 -0.097 0.000 2.410 300 E HA 0.214 nan 4.350 nan 0.000 0.269 300 E C -2.241 174.326 176.600 -0.054 0.000 0.937 300 E CA -2.287 54.076 56.400 -0.061 0.000 0.793 300 E CB 2.314 31.989 29.700 -0.042 0.000 1.314 300 E HN -0.591 7.701 8.360 -0.112 0.000 0.447 301 A N -1.165 121.636 122.820 -0.032 0.000 2.450 301 A HA 0.107 nan 4.320 nan 0.000 0.255 301 A C 1.402 178.982 177.584 -0.008 0.000 1.096 301 A CA 0.147 52.173 52.037 -0.018 0.000 0.778 301 A CB 0.379 19.374 19.000 -0.008 0.000 1.031 301 A HN 0.414 8.549 8.150 -0.026 0.000 0.494 302 V N 5.225 125.138 119.914 -0.001 0.000 2.332 302 V HA -0.403 nan 4.120 nan 0.000 0.248 302 V C 1.732 177.843 176.094 0.028 0.000 1.055 302 V CA 4.018 66.323 62.300 0.009 0.000 1.038 302 V CB -0.505 31.330 31.823 0.019 0.000 0.651 302 V HN -0.056 8.132 8.190 -0.002 0.000 0.450 303 L N -3.862 117.387 121.223 0.044 0.000 2.551 303 L HA -0.274 nan 4.340 nan 0.000 0.228 303 L C 1.015 177.921 176.870 0.060 0.000 1.153 303 L CA 2.131 57.016 54.840 0.075 0.000 0.851 303 L CB -0.936 41.182 42.059 0.099 0.000 0.959 303 L HN -0.133 8.103 8.230 0.036 0.016 0.451 304 D N -1.213 119.207 120.400 0.032 0.000 2.360 304 D HA -0.005 nan 4.640 nan 0.000 0.210 304 D C 0.080 176.386 176.300 0.010 0.000 1.047 304 D CA 1.225 55.238 54.000 0.022 0.000 0.854 304 D CB 0.689 41.496 40.800 0.011 0.000 0.936 304 D HN -0.515 7.692 8.370 0.022 0.176 0.514 305 I N 0.250 120.824 120.570 0.007 0.000 2.588 305 I HA -0.194 nan 4.170 nan 0.000 0.283 305 I C -1.631 174.482 176.117 -0.007 0.000 1.119 305 I CA 1.279 62.576 61.300 -0.005 0.000 1.419 305 I CB 0.786 38.780 38.000 -0.010 0.000 1.394 305 I HN -0.793 7.377 8.210 0.014 0.048 0.562 306 V N 6.445 126.348 119.914 -0.017 0.000 2.333 306 V HA 0.155 nan 4.120 nan 0.000 0.274 306 V C -1.552 174.522 176.094 -0.034 0.000 1.028 306 V CA -3.355 58.928 62.300 -0.029 0.000 0.851 306 V CB -0.503 31.302 31.823 -0.029 0.000 1.000 306 V HN 0.154 8.333 8.190 -0.018 0.000 0.456 307 P HA 0.237 nan 4.420 nan 0.000 0.276 307 P C -1.056 176.216 177.300 -0.046 0.000 1.244 307 P CA -0.710 62.363 63.100 -0.045 0.000 0.801 307 P CB 1.386 33.055 31.700 -0.052 0.000 1.006 308 T N -6.071 108.460 114.554 -0.039 0.000 2.975 308 T HA 0.111 nan 4.350 nan 0.000 0.261 308 T C -0.113 174.567 174.700 -0.034 0.000 0.984 308 T CA -0.491 61.588 62.100 -0.034 0.000 0.911 308 T CB 0.966 69.820 68.868 -0.025 0.000 1.127 308 T HN 0.549 9.153 8.240 -0.036 -0.386 0.514 309 D N 1.124 121.501 120.400 -0.038 0.000 2.780 309 D HA 0.332 nan 4.640 nan 0.000 0.242 309 D C 0.497 176.754 176.300 -0.072 0.000 1.135 309 D CA -1.796 52.182 54.000 -0.035 0.000 0.859 309 D CB 2.638 43.435 40.800 -0.006 0.000 1.530 309 D HN -0.755 7.778 8.370 -0.042 -0.188 0.493 310 I N -1.838 118.657 120.570 -0.125 0.000 2.756 310 I HA -0.067 nan 4.170 nan 0.000 0.262 310 I C 0.080 176.026 176.117 -0.285 0.000 1.225 310 I CA 1.760 62.934 61.300 -0.210 0.000 1.472 310 I CB 0.056 37.892 38.000 -0.274 0.000 1.094 310 I HN 0.535 8.678 8.210 -0.111 0.000 0.454 311 H N -1.727 117.343 119.070 -0.001 0.000 2.488 311 H HA 0.263 nan 4.556 nan 0.000 0.294 311 H C -0.962 174.330 175.328 -0.060 0.000 1.088 311 H CA -1.623 54.419 56.048 -0.009 0.000 1.086 311 H CB -1.152 28.644 29.762 0.056 0.000 1.569 311 H HN -0.817 7.589 8.280 -0.062 -0.164 0.548 312 Q N 1.045 120.834 119.800 -0.018 0.000 2.392 312 Q HA -0.103 nan 4.340 nan 0.000 0.262 312 Q C -0.840 175.122 176.000 -0.063 0.000 1.003 312 Q CA 0.336 56.120 55.803 -0.033 0.000 0.888 312 Q CB 1.225 29.935 28.738 -0.047 0.000 1.260 312 Q HN -0.666 7.498 8.270 -0.060 0.070 0.435 313 R N 1.420 121.893 120.500 -0.045 0.000 2.758 313 R HA 0.803 nan 4.340 nan 0.000 0.265 313 R C -1.632 174.640 176.300 -0.046 0.000 1.016 313 R CA -1.284 54.782 56.100 -0.056 0.000 1.040 313 R CB 2.123 32.398 30.300 -0.042 0.000 1.152 313 R HN 0.207 8.459 8.270 -0.029 0.000 0.503 314 A N -0.104 122.690 122.820 -0.043 0.000 2.547 314 A HA 0.456 nan 4.320 nan 0.000 0.297 314 A C -3.564 174.016 177.584 -0.006 0.000 1.056 314 A CA -2.378 49.643 52.037 -0.026 0.000 0.688 314 A CB 2.187 21.170 19.000 -0.029 0.000 1.282 314 A HN 0.539 8.657 8.150 -0.054 0.000 0.400 315 P HA 0.360 nan 4.420 nan 0.000 0.277 315 P C -2.013 175.305 177.300 0.029 0.000 1.240 315 P CA -0.592 62.532 63.100 0.040 0.000 0.798 315 P CB 1.043 32.755 31.700 0.020 0.000 0.979 316 I N -0.128 120.483 120.570 0.068 0.000 2.827 316 I HA 0.742 nan 4.170 nan 0.000 0.298 316 I C -2.516 173.638 176.117 0.062 0.000 1.235 316 I CA -1.156 60.185 61.300 0.068 0.000 1.021 316 I CB 4.198 42.270 38.000 0.120 0.000 1.259 316 I HN -0.236 8.038 8.210 0.108 0.000 0.427 317 I N 5.377 125.971 120.570 0.040 0.000 2.534 317 I HA 0.779 nan 4.170 nan 0.000 0.288 317 I C -2.188 173.971 176.117 0.069 0.000 1.077 317 I CA -0.784 60.529 61.300 0.020 0.000 1.051 317 I CB 2.812 40.782 38.000 -0.051 0.000 1.234 317 I HN 0.375 8.602 8.210 0.028 0.000 0.425 318 L N 1.602 122.905 121.223 0.135 0.000 2.479 318 L HA 0.965 nan 4.340 nan 0.000 0.255 318 L C -1.561 175.387 176.870 0.129 0.000 1.026 318 L CA -1.701 53.210 54.840 0.119 0.000 0.842 318 L CB 2.813 44.951 42.059 0.132 0.000 1.444 318 L HN 0.510 8.849 8.230 0.182 0.000 0.409 319 G N -2.734 106.120 108.800 0.090 0.000 2.320 319 G HA2 -0.101 nan 3.960 nan 0.000 0.274 319 G HA3 -0.101 nan 3.960 nan 0.000 0.274 319 G C -1.760 173.184 174.900 0.073 0.000 1.324 319 G CA 0.177 45.334 45.100 0.095 0.000 0.957 319 G HN -0.067 8.262 8.290 0.066 0.000 0.481 320 S N 1.935 117.685 115.700 0.084 0.000 2.563 320 S HA 0.059 nan 4.470 nan 0.000 0.294 320 S C -0.328 174.313 174.600 0.068 0.000 1.279 320 S CA 0.195 58.438 58.200 0.073 0.000 1.069 320 S CB -0.493 62.761 63.200 0.090 0.000 0.828 320 S HN -0.091 8.282 8.310 0.104 0.000 0.497 321 P HA -0.119 nan 4.420 nan 0.000 0.217 321 P C 1.483 178.813 177.300 0.050 0.000 1.150 321 P CA 2.457 65.581 63.100 0.039 0.000 0.832 321 P CB 0.352 32.068 31.700 0.027 0.000 0.787 322 E N -1.331 118.908 120.200 0.065 0.000 2.106 322 E HA -0.361 nan 4.350 nan 0.000 0.192 322 E C 2.325 178.988 176.600 0.105 0.000 0.984 322 E CA 3.660 60.107 56.400 0.077 0.000 0.806 322 E CB -0.634 29.117 29.700 0.085 0.000 0.750 322 E HN -0.031 8.368 8.360 0.065 0.000 0.458 323 D N -0.028 120.456 120.400 0.139 0.000 2.117 323 D HA -0.187 nan 4.640 nan 0.000 0.198 323 D C 2.436 178.778 176.300 0.070 0.000 0.982 323 D CA 3.310 57.423 54.000 0.188 0.000 0.828 323 D CB -0.367 40.595 40.800 0.271 0.000 0.967 323 D HN -0.607 7.843 8.370 0.134 0.000 0.464 324 V N 0.051 119.983 119.914 0.030 0.000 2.427 324 V HA -0.338 nan 4.120 nan 0.000 0.248 324 V C 2.275 178.349 176.094 -0.033 0.000 1.051 324 V CA 4.438 66.717 62.300 -0.035 0.000 1.048 324 V CB -0.798 31.022 31.823 -0.006 0.000 0.666 324 V HN 0.045 8.271 8.190 0.060 0.000 0.456 325 T N 2.016 116.575 114.554 0.007 0.000 2.684 325 T HA -0.408 nan 4.350 nan 0.000 0.267 325 T C 1.249 175.964 174.700 0.024 0.000 1.036 325 T CA 5.272 67.382 62.100 0.017 0.000 1.148 325 T CB -0.577 68.309 68.868 0.030 0.000 0.863 325 T HN 0.248 8.502 8.240 0.023 0.000 0.436 326 E N 1.753 121.981 120.200 0.047 0.000 2.097 326 E HA -0.361 nan 4.350 nan 0.000 0.196 326 E C 1.948 178.575 176.600 0.045 0.000 1.000 326 E CA 3.156 59.607 56.400 0.085 0.000 0.804 326 E CB -0.074 29.733 29.700 0.179 0.000 0.740 326 E HN -0.381 8.015 8.360 0.061 0.000 0.454 327 L N -0.733 120.403 121.223 -0.145 0.000 2.156 327 L HA -0.191 nan 4.340 nan 0.000 0.208 327 L C 1.603 178.483 176.870 0.017 0.000 1.095 327 L CA 2.657 57.337 54.840 -0.266 0.000 0.770 327 L CB -0.150 41.497 42.059 -0.687 0.000 0.914 327 L HN -0.639 7.470 8.230 -0.203 0.000 0.439 328 L N -1.387 119.863 121.223 0.046 0.000 2.093 328 L HA -0.488 nan 4.340 nan 0.000 0.208 328 L C 2.134 179.076 176.870 0.120 0.000 1.085 328 L CA 3.385 58.293 54.840 0.113 0.000 0.755 328 L CB -0.734 41.343 42.059 0.030 0.000 0.904 328 L HN 0.052 8.197 8.230 -0.013 0.078 0.435 329 E N -0.228 120.017 120.200 0.075 0.000 2.110 329 E HA -0.376 nan 4.350 nan 0.000 0.193 329 E C 2.641 179.292 176.600 0.085 0.000 0.988 329 E CA 3.342 59.785 56.400 0.071 0.000 0.804 329 E CB -0.217 29.516 29.700 0.055 0.000 0.745 329 E HN -0.088 8.305 8.360 0.054 0.000 0.458 330 I N -0.512 120.099 120.570 0.069 0.000 2.315 330 I HA -0.466 nan 4.170 nan 0.000 0.248 330 I C 1.874 178.018 176.117 0.045 0.000 1.117 330 I CA 3.808 65.139 61.300 0.051 0.000 1.404 330 I CB -0.209 37.765 38.000 -0.044 0.000 1.071 330 I HN -0.749 7.495 8.210 0.056 0.000 0.419 331 Y N -0.786 119.524 120.300 0.017 0.000 2.224 331 Y HA -0.499 nan 4.550 nan 0.000 0.289 331 Y C 2.890 178.831 175.900 0.067 0.000 1.146 331 Y CA 4.355 62.462 58.100 0.013 0.000 1.182 331 Y CB -0.510 37.931 38.460 -0.033 0.000 0.983 331 Y HN -0.391 7.898 8.280 0.153 0.082 0.524 332 Q N -1.111 118.816 119.800 0.210 0.000 2.079 332 Q HA -0.333 nan 4.340 nan 0.000 0.200 332 Q C 1.700 177.763 176.000 0.104 0.000 0.974 332 Q CA 3.011 58.892 55.803 0.131 0.000 0.840 332 Q CB 0.235 29.025 28.738 0.086 0.000 0.898 332 Q HN -0.067 8.325 8.270 0.204 0.000 0.430 333 K N -2.918 117.541 120.400 0.099 0.000 2.591 333 K HA -0.131 nan 4.320 nan 0.000 0.197 333 K C 0.323 176.876 176.600 -0.079 0.000 1.026 333 K CA 0.970 57.265 56.287 0.012 0.000 1.127 333 K CB -0.747 31.745 32.500 -0.013 0.000 0.871 333 K HN -0.622 7.701 8.250 0.121 0.000 0.507 334 H N -1.040 118.035 119.070 0.008 0.000 2.562 334 H HA 0.123 nan 4.556 nan 0.000 0.249 334 H C -1.767 173.577 175.328 0.027 0.000 1.195 334 H CA -0.509 55.540 56.048 0.001 0.000 0.938 334 H CB -0.036 29.706 29.762 -0.034 0.000 1.891 334 H HN -0.610 7.680 8.280 0.183 0.099 0.595 335 A N 0.000 122.865 122.820 0.076 0.000 2.254 335 A HA 0.000 nan 4.320 nan 0.000 0.244 335 A CA 0.000 52.071 52.037 0.057 0.000 0.836 335 A CB 0.000 19.045 19.000 0.075 0.000 0.831 335 A HN 0.000 8.104 8.150 0.042 0.071 0.486