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 2h10_1_A DATA FIRST_RESID 26 DATA SEQUENCE SPQPLEQIKL SESQLSGRVG MIEMDLASGR TLTAWRADER FPMVSTFKVV DATA SEQUENCE LcGAVLARVD AGDEQLERKI HYRQQDLVDY SPVSEKHLAD GMTVGELcAA DATA SEQUENCE AITMSDNSAA NLLLATVGGP AGLTAFLRQI GDNVTRLDRW ATELNEALPG DATA SEQUENCE DARDTTTPAS MAATLRKLLT SQRLSARSQR QLLQWMVDDR VAGPLIRSVL DATA SEQUENCE PAGWFIADKT GAGXERGARG IVALLGPXNN KAERIVVIYL RDTPASMAER DATA SEQUENCE NQQIAGIGAA LIEHWQR 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.720 174.600 0.200 0.000 1.055 26 S CA 0.000 58.256 58.200 0.093 0.000 1.107 26 S CB 0.000 63.241 63.200 0.068 0.000 0.593 27 P HA 0.295 nan 4.420 nan 0.000 0.289 27 P C -0.897 176.321 177.300 -0.135 0.000 1.299 27 P CA -0.515 62.572 63.100 -0.021 0.000 0.766 27 P CB 0.374 32.044 31.700 -0.050 0.000 1.226 28 Q N -0.145 119.472 119.800 -0.304 0.000 2.432 28 Q HA 0.057 4.398 4.340 0.001 0.000 0.264 28 Q C -1.526 174.392 176.000 -0.136 0.000 1.035 28 Q CA -1.161 54.426 55.803 -0.360 0.000 0.908 28 Q CB -0.649 27.929 28.738 -0.267 0.000 1.280 28 Q HN 0.291 nan 8.270 nan 0.000 0.455 29 P HA -0.191 nan 4.420 nan 0.000 0.215 29 P C 1.365 178.602 177.300 -0.106 0.000 1.163 29 P CA 1.358 64.435 63.100 -0.038 0.000 0.894 29 P CB 0.108 31.804 31.700 -0.006 0.000 0.791 30 L N -0.926 120.229 121.223 -0.113 0.000 2.079 30 L HA -0.192 4.148 4.340 0.001 0.000 0.210 30 L C 2.409 179.134 176.870 -0.241 0.000 1.081 30 L CA 1.416 56.153 54.840 -0.173 0.000 0.752 30 L CB -0.744 41.262 42.059 -0.089 0.000 0.896 30 L HN -0.009 nan 8.230 nan 0.000 0.433 31 E N -0.498 119.600 120.200 -0.171 0.000 2.107 31 E HA -0.235 4.115 4.350 0.001 0.000 0.191 31 E C 2.041 178.540 176.600 -0.168 0.000 0.982 31 E CA 0.845 57.148 56.400 -0.162 0.000 0.809 31 E CB -0.110 29.520 29.700 -0.118 0.000 0.756 31 E HN 0.367 nan 8.360 nan 0.000 0.459 32 Q N 0.889 120.602 119.800 -0.145 0.000 2.079 32 Q HA -0.040 4.301 4.340 0.001 0.000 0.200 32 Q C 2.116 178.008 176.000 -0.180 0.000 0.974 32 Q CA 1.067 56.796 55.803 -0.123 0.000 0.840 32 Q CB -0.340 28.352 28.738 -0.077 0.000 0.898 32 Q HN 0.291 nan 8.270 nan 0.000 0.430 33 I N 0.172 120.584 120.570 -0.265 0.000 2.163 33 I HA -0.341 3.829 4.170 0.001 0.000 0.243 33 I C 2.153 177.993 176.117 -0.462 0.000 1.085 33 I CA 1.553 62.619 61.300 -0.390 0.000 1.347 33 I CB -0.261 37.380 38.000 -0.599 0.000 1.044 33 I HN 0.202 nan 8.210 nan 0.000 0.408 34 K N 0.651 120.739 120.400 -0.520 0.000 2.026 34 K HA -0.143 4.177 4.320 0.001 0.000 0.208 34 K C 2.097 178.589 176.600 -0.180 0.000 1.048 34 K CA 1.275 57.325 56.287 -0.394 0.000 0.929 34 K CB -0.258 32.046 32.500 -0.328 0.000 0.713 34 K HN 0.255 nan 8.250 nan 0.000 0.439 35 L N 0.847 121.981 121.223 -0.149 0.000 2.079 35 L HA -0.240 4.101 4.340 0.001 0.000 0.210 35 L C 2.392 179.224 176.870 -0.064 0.000 1.081 35 L CA 1.124 55.914 54.840 -0.084 0.000 0.752 35 L CB -0.408 41.607 42.059 -0.073 0.000 0.896 35 L HN 0.141 nan 8.230 nan 0.000 0.433 36 S N -0.633 115.018 115.700 -0.083 0.000 2.368 36 S HA -0.181 4.290 4.470 0.001 0.000 0.225 36 S C 1.823 176.417 174.600 -0.011 0.000 1.030 36 S CA 1.197 59.369 58.200 -0.048 0.000 0.999 36 S CB -0.175 62.989 63.200 -0.060 0.000 0.844 36 S HN 0.458 nan 8.310 nan 0.000 0.459 37 E N 0.805 121.000 120.200 -0.007 0.000 2.072 37 E HA -0.109 4.242 4.350 0.001 0.000 0.191 37 E C 2.286 178.915 176.600 0.050 0.000 0.985 37 E CA 1.089 57.528 56.400 0.064 0.000 0.801 37 E CB -0.244 29.537 29.700 0.135 0.000 0.750 37 E HN 0.423 nan 8.360 nan 0.000 0.452 38 S N 0.768 116.481 115.700 0.022 0.000 2.359 38 S HA -0.225 4.246 4.470 0.001 0.000 0.224 38 S C 1.990 176.600 174.600 0.017 0.000 1.035 38 S CA 1.402 59.614 58.200 0.020 0.000 1.018 38 S CB -0.042 63.159 63.200 0.003 0.000 0.876 38 S HN 0.232 nan 8.310 nan 0.000 0.448 39 Q N -0.118 119.686 119.800 0.007 0.000 2.123 39 Q HA 0.094 4.434 4.340 0.001 0.000 0.199 39 Q C 2.150 178.160 176.000 0.016 0.000 0.966 39 Q CA 1.138 56.945 55.803 0.007 0.000 0.845 39 Q CB -0.151 28.586 28.738 -0.003 0.000 0.907 39 Q HN 0.530 nan 8.270 nan 0.000 0.439 40 L N -0.371 120.867 121.223 0.025 0.000 2.446 40 L HA 0.070 4.411 4.340 0.001 0.000 0.219 40 L C 0.594 177.490 176.870 0.044 0.000 1.116 40 L CA -0.023 54.838 54.840 0.035 0.000 0.844 40 L CB 0.212 42.299 42.059 0.046 0.000 0.970 40 L HN 0.016 nan 8.230 nan 0.000 0.457 41 S N -0.175 115.554 115.700 0.047 0.000 3.561 41 S HA -0.140 4.331 4.470 0.001 0.000 0.318 41 S C 0.412 175.051 174.600 0.065 0.000 1.181 41 S CA 0.491 58.721 58.200 0.051 0.000 0.916 41 S CB -1.653 61.570 63.200 0.038 0.000 0.966 41 S HN 0.711 nan 8.310 nan 0.000 0.550 42 G N -0.301 108.551 108.800 0.087 0.000 2.818 42 G HA2 0.704 4.664 3.960 0.001 0.000 0.286 42 G HA3 0.704 4.664 3.960 0.001 0.000 0.286 42 G C -0.860 174.140 174.900 0.166 0.000 1.364 42 G CA -1.111 44.056 45.100 0.111 0.000 0.938 42 G HN 0.269 nan 8.290 nan 0.000 0.490 43 R N -0.822 119.806 120.500 0.214 0.000 2.404 43 R HA 0.572 4.913 4.340 0.001 0.000 0.291 43 R C -0.881 175.695 176.300 0.459 0.000 1.025 43 R CA -0.500 55.798 56.100 0.330 0.000 0.991 43 R CB 1.964 32.431 30.300 0.278 0.000 1.053 43 R HN 0.220 nan 8.270 nan 0.000 0.479 44 V N 1.325 121.531 119.914 0.487 0.000 2.555 44 V HA 0.596 4.716 4.120 0.001 0.000 0.302 44 V C 0.261 176.582 176.094 0.378 0.000 1.038 44 V CA -0.698 61.803 62.300 0.335 0.000 0.887 44 V CB 2.045 33.994 31.823 0.211 0.000 0.991 44 V HN 0.959 nan 8.190 nan 0.000 0.434 45 G N 3.977 112.666 108.800 -0.185 0.000 2.530 45 G HA2 0.736 4.697 3.960 0.001 0.000 0.316 45 G HA3 0.736 4.697 3.960 0.001 0.000 0.316 45 G C -1.124 173.705 174.900 -0.117 0.000 1.298 45 G CA -0.479 44.431 45.100 -0.318 0.000 0.948 45 G HN 0.601 nan 8.290 nan 0.000 0.486 46 M N 2.648 122.300 119.600 0.087 0.000 2.413 46 M HA 0.597 5.077 4.480 0.001 0.000 0.287 46 M C -2.147 174.202 176.300 0.082 0.000 1.186 46 M CA -0.817 54.518 55.300 0.058 0.000 0.927 46 M CB 2.303 34.945 32.600 0.070 0.000 1.715 46 M HN 0.309 nan 8.290 nan 0.000 0.478 47 I N 2.656 123.250 120.570 0.041 0.000 2.656 47 I HA 0.405 4.575 4.170 0.001 0.000 0.292 47 I C -1.193 174.938 176.117 0.024 0.000 1.144 47 I CA -0.254 61.072 61.300 0.043 0.000 1.038 47 I CB 2.296 40.324 38.000 0.046 0.000 1.244 47 I HN 0.769 nan 8.210 nan 0.000 0.420 48 E N 7.567 127.775 120.200 0.013 0.000 2.191 48 E HA 0.572 4.923 4.350 0.001 0.000 0.263 48 E C -1.655 174.931 176.600 -0.024 0.000 0.881 48 E CA -0.560 55.836 56.400 -0.007 0.000 0.757 48 E CB 2.169 31.847 29.700 -0.038 0.000 1.147 48 E HN 0.626 nan 8.360 nan 0.000 0.414 49 M N 4.483 124.075 119.600 -0.014 0.000 2.446 49 M HA 0.276 4.757 4.480 0.001 0.000 0.294 49 M C -1.354 174.934 176.300 -0.019 0.000 1.158 49 M CA -0.741 54.548 55.300 -0.018 0.000 0.899 49 M CB 2.032 34.634 32.600 0.004 0.000 1.687 49 M HN 0.521 nan 8.290 nan 0.000 0.455 50 D N 3.588 123.967 120.400 -0.034 0.000 2.417 50 D HA 0.014 4.655 4.640 0.001 0.000 0.250 50 D C 0.705 177.000 176.300 -0.008 0.000 1.166 50 D CA -0.035 53.950 54.000 -0.026 0.000 0.881 50 D CB 1.176 41.955 40.800 -0.035 0.000 1.164 50 D HN 0.734 nan 8.370 nan 0.000 0.467 51 L N 5.823 127.046 121.223 -0.000 0.000 2.056 51 L HA -0.079 4.261 4.340 0.001 0.000 0.207 51 L C 2.162 179.027 176.870 -0.009 0.000 1.078 51 L CA 2.197 57.035 54.840 -0.003 0.000 0.749 51 L CB -0.659 41.391 42.059 -0.016 0.000 0.901 51 L HN 0.564 nan 8.230 nan 0.000 0.433 52 A N -1.040 121.770 122.820 -0.015 0.000 1.898 52 A HA -0.158 4.162 4.320 0.001 0.000 0.216 52 A C 2.395 179.972 177.584 -0.011 0.000 1.181 52 A CA 2.045 54.072 52.037 -0.016 0.000 0.620 52 A CB -0.798 18.190 19.000 -0.019 0.000 0.819 52 A HN 0.645 nan 8.150 nan 0.000 0.442 53 S N -3.499 112.194 115.700 -0.012 0.000 2.520 53 S HA 0.425 4.896 4.470 0.001 0.000 0.219 53 S C 1.390 175.985 174.600 -0.009 0.000 1.028 53 S CA 1.153 59.347 58.200 -0.011 0.000 0.921 53 S CB 0.308 63.500 63.200 -0.014 0.000 0.844 53 S HN 1.942 nan 8.310 nan 0.000 0.495 54 G N 1.920 110.715 108.800 -0.008 0.000 2.157 54 G HA2 -0.282 3.678 3.960 0.001 0.000 0.248 54 G HA3 -0.282 3.678 3.960 0.001 0.000 0.248 54 G C 0.071 174.965 174.900 -0.010 0.000 0.979 54 G CA 0.066 45.162 45.100 -0.005 0.000 0.650 54 G HN 0.722 nan 8.290 nan 0.000 0.529 55 R N 1.267 121.756 120.500 -0.018 0.000 2.480 55 R HA 0.288 4.629 4.340 0.001 0.000 0.303 55 R C -0.421 175.862 176.300 -0.028 0.000 0.985 55 R CA 0.781 56.866 56.100 -0.024 0.000 1.051 55 R CB -0.028 30.251 30.300 -0.034 0.000 0.935 55 R HN 0.123 nan 8.270 nan 0.000 0.410 56 T N 6.739 121.281 114.554 -0.020 0.000 2.729 56 T HA 0.151 4.502 4.350 0.001 0.000 0.296 56 T C 1.087 175.770 174.700 -0.029 0.000 0.928 56 T CA -0.503 61.587 62.100 -0.017 0.000 1.045 56 T CB 0.964 69.831 68.868 -0.002 0.000 0.902 56 T HN 0.495 nan 8.240 nan 0.000 0.500 57 L N 2.865 124.060 121.223 -0.047 0.000 2.200 57 L HA 0.219 4.560 4.340 0.001 0.000 0.200 57 L C 1.281 178.131 176.870 -0.035 0.000 1.072 57 L CA 0.993 55.794 54.840 -0.064 0.000 0.787 57 L CB 0.025 42.007 42.059 -0.128 0.000 0.957 57 L HN 0.539 nan 8.230 nan 0.000 0.459 58 T N -0.207 114.336 114.554 -0.017 0.000 2.861 58 T HA 0.798 5.149 4.350 0.001 0.000 0.287 58 T C -0.890 173.844 174.700 0.056 0.000 1.003 58 T CA -0.528 61.584 62.100 0.021 0.000 0.977 58 T CB 2.074 70.950 68.868 0.013 0.000 0.996 58 T HN 0.079 nan 8.240 nan 0.000 0.448 59 A N 2.830 125.711 122.820 0.101 0.000 2.442 59 A HA 0.657 4.977 4.320 0.001 0.000 0.284 59 A C -1.735 175.978 177.584 0.216 0.000 1.058 59 A CA -0.792 51.318 52.037 0.120 0.000 0.738 59 A CB 1.301 20.343 19.000 0.070 0.000 1.242 59 A HN 0.833 nan 8.150 nan 0.000 0.421 60 W N 4.371 125.682 121.300 0.018 0.000 2.715 60 W HA 0.426 5.086 4.660 0.001 0.000 0.331 60 W C -0.113 176.446 176.519 0.068 0.000 1.031 60 W CA -0.602 56.763 57.345 0.034 0.000 1.237 60 W CB 0.953 30.426 29.460 0.021 0.000 1.378 60 W HN 0.957 nan 8.180 nan 0.000 0.454 61 R N 2.621 122.840 120.500 -0.468 0.000 3.502 61 R HA -0.249 4.091 4.340 0.001 0.000 0.266 61 R C 1.076 177.399 176.300 0.039 0.000 1.077 61 R CA 0.900 56.848 56.100 -0.254 0.000 0.718 61 R CB -1.818 28.379 30.300 -0.171 0.000 1.120 61 R HN 0.482 nan 8.270 nan 0.000 0.457 62 A N 0.205 123.040 122.820 0.024 0.000 2.121 62 A HA -0.119 4.202 4.320 0.001 0.000 0.218 62 A C 1.256 178.888 177.584 0.080 0.000 1.154 62 A CA 1.250 53.332 52.037 0.076 0.000 0.679 62 A CB 0.116 19.152 19.000 0.059 0.000 0.795 62 A HN 0.320 nan 8.150 nan 0.000 0.458 63 D N -0.104 120.323 120.400 0.046 0.000 2.402 63 D HA 0.112 4.753 4.640 0.001 0.000 0.216 63 D C -0.109 176.209 176.300 0.030 0.000 1.128 63 D CA 0.040 54.059 54.000 0.032 0.000 0.833 63 D CB 0.327 41.127 40.800 -0.001 0.000 0.971 63 D HN 0.575 nan 8.370 nan 0.000 0.503 64 E N 0.921 121.167 120.200 0.077 0.000 2.283 64 E HA 0.332 4.683 4.350 0.001 0.000 0.271 64 E C 0.258 176.877 176.600 0.032 0.000 1.031 64 E CA -0.569 55.837 56.400 0.009 0.000 0.868 64 E CB 1.916 31.595 29.700 -0.035 0.000 1.094 64 E HN -0.142 nan 8.360 nan 0.000 0.401 65 R N 1.516 121.923 120.500 -0.155 0.000 2.441 65 R HA 0.383 4.724 4.340 0.001 0.000 0.284 65 R C -0.784 175.262 176.300 -0.422 0.000 1.070 65 R CA 0.117 56.123 56.100 -0.156 0.000 1.047 65 R CB 0.452 30.660 30.300 -0.153 0.000 1.016 65 R HN 0.331 nan 8.270 nan 0.000 0.477 66 F N 1.883 121.733 119.950 -0.167 0.000 2.601 66 F HA 0.334 4.862 4.527 0.001 0.000 0.309 66 F C -2.132 173.491 175.800 -0.296 0.000 1.089 66 F CA -2.704 55.171 58.000 -0.208 0.000 0.940 66 F CB 2.083 40.925 39.000 -0.264 0.000 1.273 66 F HN 0.298 nan 8.300 nan 0.000 0.450 67 P HA 0.211 nan 4.420 nan 0.000 0.271 67 P C 0.531 177.772 177.300 -0.099 0.000 1.220 67 P CA 0.130 63.206 63.100 -0.041 0.000 0.768 67 P CB 0.575 32.290 31.700 0.026 0.000 0.848 68 M N 2.854 122.402 119.600 -0.086 0.000 2.319 68 M HA -0.099 4.382 4.480 0.001 0.000 0.265 68 M C 1.116 177.553 176.300 0.228 0.000 1.068 68 M CA 0.691 56.002 55.300 0.019 0.000 1.118 68 M CB -0.683 31.983 32.600 0.109 0.000 1.395 68 M HN 0.264 nan 8.290 nan 0.000 0.435 69 V N -2.899 117.120 119.914 0.176 0.000 0.691 69 V HA -0.425 3.696 4.120 0.001 0.000 0.092 69 V C 1.020 177.308 176.094 0.324 0.000 0.769 69 V CA 1.504 63.929 62.300 0.209 0.000 3.097 69 V CB -1.943 29.984 31.823 0.173 0.000 0.181 69 V HN 0.384 nan 8.190 nan 0.000 0.064 70 S N 0.863 116.705 115.700 0.237 0.000 2.537 70 S HA -0.063 4.408 4.470 0.001 0.000 0.240 70 S C 1.770 176.399 174.600 0.049 0.000 0.981 70 S CA 1.676 59.974 58.200 0.162 0.000 0.948 70 S CB -0.837 62.401 63.200 0.063 0.000 0.759 70 S HN 1.572 nan 8.310 nan 0.000 0.531 71 T N 0.248 114.896 114.554 0.157 0.000 3.007 71 T HA -0.099 4.252 4.350 0.001 0.000 0.270 71 T C 1.520 176.270 174.700 0.083 0.000 1.107 71 T CA 0.731 62.900 62.100 0.116 0.000 1.118 71 T CB -0.823 68.179 68.868 0.224 0.000 0.889 71 T HN 0.574 nan 8.240 nan 0.000 0.506 72 F N 1.796 121.794 119.950 0.080 0.000 2.333 72 F HA 0.249 4.777 4.527 0.001 0.000 0.300 72 F C 1.867 177.684 175.800 0.029 0.000 1.083 72 F CA 0.263 58.293 58.000 0.051 0.000 1.395 72 F CB -0.523 38.488 39.000 0.018 0.000 1.056 72 F HN 0.045 nan 8.300 nan 0.000 0.529 73 K N 0.864 120.678 120.400 -0.978 0.000 2.209 73 K HA -0.074 4.246 4.320 0.001 0.000 0.204 73 K C 2.011 178.419 176.600 -0.320 0.000 1.048 73 K CA 1.305 57.103 56.287 -0.815 0.000 0.940 73 K CB -0.308 31.789 32.500 -0.672 0.000 0.729 73 K HN 0.296 nan 8.250 nan 0.000 0.451 74 V N 0.405 120.225 119.914 -0.157 0.000 2.307 74 V HA -0.202 3.919 4.120 0.001 0.000 0.245 74 V C 2.128 178.242 176.094 0.033 0.000 1.045 74 V CA 1.398 63.685 62.300 -0.021 0.000 1.024 74 V CB -0.234 31.614 31.823 0.041 0.000 0.651 74 V HN 0.071 nan 8.190 nan 0.000 0.449 75 V N -0.044 119.909 119.914 0.065 0.000 2.407 75 V HA -0.232 3.888 4.120 0.001 0.000 0.248 75 V C 2.406 178.547 176.094 0.079 0.000 1.055 75 V CA 1.955 64.338 62.300 0.139 0.000 1.049 75 V CB -0.582 31.359 31.823 0.197 0.000 0.662 75 V HN 0.528 nan 8.190 nan 0.000 0.455 76 L N 0.194 121.434 121.223 0.029 0.000 1.990 76 L HA -0.217 4.123 4.340 0.001 0.000 0.213 76 L C 2.310 179.124 176.870 -0.094 0.000 1.072 76 L CA 2.395 57.222 54.840 -0.022 0.000 0.755 76 L CB -1.005 41.029 42.059 -0.042 0.000 0.889 76 L HN 0.360 nan 8.230 nan 0.000 0.432 77 c N 0.161 118.713 118.600 -0.080 0.000 2.456 77 c HA 0.084 4.654 4.570 0.001 0.000 0.279 77 c C 2.698 176.819 174.090 0.051 0.000 1.427 77 c CA 0.323 56.632 56.329 -0.033 0.000 1.778 77 c CB -1.921 40.538 42.510 -0.085 0.000 1.842 77 c HN 0.788 nan 8.230 nan 0.000 0.531 78 G N 0.508 109.328 108.800 0.032 0.000 2.408 78 G HA2 0.010 3.971 3.960 0.001 0.000 0.217 78 G HA3 0.010 3.971 3.960 0.001 0.000 0.217 78 G C 1.848 176.622 174.900 -0.208 0.000 1.150 78 G CA 0.904 46.037 45.100 0.056 0.000 0.776 78 G HN 0.571 nan 8.290 nan 0.000 0.542 79 A N 0.165 122.631 122.820 -0.591 0.000 1.930 79 A HA 0.139 4.460 4.320 0.001 0.000 0.217 79 A C 2.563 179.857 177.584 -0.483 0.000 1.175 79 A CA 1.620 52.935 52.037 -1.203 0.000 0.627 79 A CB -0.469 17.870 19.000 -1.102 0.000 0.815 79 A HN 0.227 nan 8.150 nan 0.000 0.443 80 V N 0.062 119.835 119.914 -0.236 0.000 2.358 80 V HA -0.230 3.890 4.120 0.001 0.000 0.246 80 V C 2.517 178.595 176.094 -0.027 0.000 1.047 80 V CA 1.856 64.100 62.300 -0.094 0.000 1.035 80 V CB -0.722 31.079 31.823 -0.037 0.000 0.658 80 V HN 0.568 nan 8.190 nan 0.000 0.452 81 L N 0.083 121.315 121.223 0.016 0.000 2.131 81 L HA -0.131 4.209 4.340 0.001 0.000 0.210 81 L C 2.672 179.559 176.870 0.028 0.000 1.092 81 L CA 1.343 56.215 54.840 0.053 0.000 0.759 81 L CB -0.715 41.395 42.059 0.085 0.000 0.903 81 L HN 0.360 nan 8.230 nan 0.000 0.435 82 A N 0.125 122.945 122.820 -0.001 0.000 1.930 82 A HA -0.196 4.125 4.320 0.001 0.000 0.217 82 A C 2.381 179.989 177.584 0.039 0.000 1.175 82 A CA 1.380 53.454 52.037 0.060 0.000 0.627 82 A CB -0.394 18.699 19.000 0.154 0.000 0.815 82 A HN 0.307 nan 8.150 nan 0.000 0.443 83 R N -0.774 119.723 120.500 -0.004 0.000 2.092 83 R HA -0.053 4.288 4.340 0.001 0.000 0.231 83 R C 1.999 178.312 176.300 0.022 0.000 1.119 83 R CA 1.328 57.434 56.100 0.010 0.000 0.970 83 R CB -0.427 29.867 30.300 -0.010 0.000 0.864 83 R HN 0.388 nan 8.270 nan 0.000 0.440 84 V N 1.384 121.312 119.914 0.023 0.000 2.295 84 V HA -0.241 3.880 4.120 0.001 0.000 0.246 84 V C 1.496 177.606 176.094 0.027 0.000 1.049 84 V CA 1.900 64.217 62.300 0.028 0.000 1.024 84 V CB -0.406 31.438 31.823 0.035 0.000 0.648 84 V HN 0.263 nan 8.190 nan 0.000 0.447 85 D N 0.614 121.033 120.400 0.031 0.000 2.149 85 D HA -0.123 4.518 4.640 0.001 0.000 0.198 85 D C 2.049 178.368 176.300 0.032 0.000 0.990 85 D CA 1.662 55.680 54.000 0.031 0.000 0.839 85 D CB -0.229 40.595 40.800 0.041 0.000 0.948 85 D HN 0.475 nan 8.370 nan 0.000 0.460 86 A N -0.503 122.339 122.820 0.036 0.000 2.208 86 A HA 0.371 4.691 4.320 0.001 0.000 0.209 86 A C 1.793 179.394 177.584 0.029 0.000 1.161 86 A CA 1.192 53.251 52.037 0.036 0.000 0.782 86 A CB -0.164 18.862 19.000 0.044 0.000 0.816 86 A HN 0.264 nan 8.150 nan 0.000 0.477 87 G N -0.695 108.121 108.800 0.026 0.000 2.143 87 G HA2 -0.220 3.741 3.960 0.001 0.000 0.249 87 G HA3 -0.220 3.741 3.960 0.001 0.000 0.249 87 G C 0.249 175.163 174.900 0.024 0.000 0.981 87 G CA 0.479 45.593 45.100 0.023 0.000 0.665 87 G HN 0.457 nan 8.290 nan 0.000 0.528 88 D N -0.005 120.410 120.400 0.025 0.000 2.349 88 D HA 0.315 4.955 4.640 0.001 0.000 0.214 88 D C 0.851 177.165 176.300 0.024 0.000 1.063 88 D CA 0.948 54.964 54.000 0.025 0.000 0.847 88 D CB 0.840 41.656 40.800 0.027 0.000 0.933 88 D HN 0.589 nan 8.370 nan 0.000 0.513 89 E N 0.094 120.308 120.200 0.024 0.000 2.412 89 E HA 0.326 4.677 4.350 0.001 0.000 0.279 89 E C -1.757 174.860 176.600 0.028 0.000 0.984 89 E CA -0.553 55.862 56.400 0.025 0.000 0.788 89 E CB 1.532 31.244 29.700 0.021 0.000 1.277 89 E HN -0.235 nan 8.360 nan 0.000 0.455 90 Q N 2.185 122.004 119.800 0.030 0.000 2.305 90 Q HA 0.427 4.768 4.340 0.001 0.000 0.271 90 Q C 0.295 176.320 176.000 0.041 0.000 1.046 90 Q CA -0.479 55.344 55.803 0.033 0.000 0.798 90 Q CB 2.034 30.789 28.738 0.028 0.000 1.286 90 Q HN 0.548 nan 8.270 nan 0.000 0.435 91 L N 1.222 122.478 121.223 0.054 0.000 2.275 91 L HA -0.155 4.186 4.340 0.001 0.000 0.215 91 L C 1.119 178.022 176.870 0.055 0.000 1.119 91 L CA 1.095 55.982 54.840 0.078 0.000 0.790 91 L CB 0.023 42.150 42.059 0.113 0.000 0.919 91 L HN 0.702 nan 8.230 nan 0.000 0.443 92 E N -0.255 119.968 120.200 0.038 0.000 2.285 92 E HA -0.069 4.281 4.350 0.001 0.000 0.194 92 E C 0.938 177.549 176.600 0.019 0.000 0.997 92 E CA 0.031 56.447 56.400 0.027 0.000 0.845 92 E CB -0.028 29.686 29.700 0.023 0.000 0.782 92 E HN 0.191 nan 8.360 nan 0.000 0.491 93 R N 1.830 122.344 120.500 0.022 0.000 2.486 93 R HA -0.048 4.293 4.340 0.001 0.000 0.303 93 R C -0.323 175.978 176.300 0.001 0.000 0.958 93 R CA 0.125 56.236 56.100 0.020 0.000 1.077 93 R CB 0.265 30.581 30.300 0.026 0.000 0.921 93 R HN -0.237 nan 8.270 nan 0.000 0.406 94 K N 5.193 125.590 120.400 -0.006 0.000 2.258 94 K HA 0.224 4.545 4.320 0.001 0.000 0.284 94 K C -0.740 175.796 176.600 -0.106 0.000 1.051 94 K CA -0.172 56.067 56.287 -0.081 0.000 0.923 94 K CB 0.684 33.130 32.500 -0.090 0.000 1.046 94 K HN 0.492 nan 8.250 nan 0.000 0.474 95 I N 5.316 125.808 120.570 -0.129 0.000 2.336 95 I HA 0.215 4.385 4.170 0.001 0.000 0.292 95 I C -0.005 176.038 176.117 -0.124 0.000 0.991 95 I CA -0.820 60.459 61.300 -0.035 0.000 1.227 95 I CB 1.024 39.057 38.000 0.055 0.000 1.366 95 I HN 0.531 nan 8.210 nan 0.000 0.466 96 H N 6.514 125.641 119.070 0.095 0.000 2.467 96 H HA 0.405 4.962 4.556 0.001 0.000 0.326 96 H C -1.047 174.314 175.328 0.056 0.000 1.094 96 H CA -0.261 55.780 56.048 -0.012 0.000 1.253 96 H CB 1.600 31.333 29.762 -0.048 0.000 1.439 96 H HN 0.495 nan 8.280 nan 0.000 0.479 97 Y N -0.088 120.266 120.300 0.090 0.000 2.698 97 Y HA 0.673 5.223 4.550 0.001 0.000 0.332 97 Y C -0.308 175.622 175.900 0.050 0.000 1.119 97 Y CA -1.443 56.689 58.100 0.054 0.000 1.109 97 Y CB 1.161 39.635 38.460 0.023 0.000 1.308 97 Y HN 0.321 nan 8.280 nan 0.000 0.499 98 R N -0.003 120.609 120.500 0.187 0.000 2.873 98 R HA 0.292 4.632 4.340 0.001 0.000 0.264 98 R C 0.680 177.063 176.300 0.139 0.000 1.026 98 R CA -0.979 55.175 56.100 0.090 0.000 1.002 98 R CB 1.744 32.078 30.300 0.056 0.000 1.174 98 R HN 0.908 nan 8.270 nan 0.000 0.488 99 Q N 1.196 121.041 119.800 0.075 0.000 2.135 99 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 99 Q C 1.751 177.787 176.000 0.060 0.000 0.981 99 Q CA 2.034 57.880 55.803 0.073 0.000 0.856 99 Q CB 0.191 28.950 28.738 0.036 0.000 0.902 99 Q HN 0.605 nan 8.270 nan 0.000 0.425 100 Q N -0.666 119.160 119.800 0.042 0.000 2.364 100 Q HA -0.175 4.166 4.340 0.001 0.000 0.209 100 Q C 0.446 176.456 176.000 0.017 0.000 0.977 100 Q CA 1.360 57.176 55.803 0.021 0.000 0.885 100 Q CB 0.074 28.818 28.738 0.009 0.000 0.941 100 Q HN 0.373 nan 8.270 nan 0.000 0.464 101 D N 0.872 121.300 120.400 0.046 0.000 2.348 101 D HA 0.129 4.769 4.640 0.001 0.000 0.211 101 D C 0.394 176.696 176.300 0.004 0.000 0.998 101 D CA 0.236 54.249 54.000 0.023 0.000 0.873 101 D CB 0.224 41.067 40.800 0.072 0.000 0.925 101 D HN 0.269 nan 8.370 nan 0.000 0.524 102 L N 1.424 122.666 121.223 0.031 0.000 2.397 102 L HA 0.202 4.542 4.340 0.001 0.000 0.271 102 L C 0.625 177.500 176.870 0.008 0.000 1.148 102 L CA -0.514 54.334 54.840 0.013 0.000 0.825 102 L CB 1.112 43.194 42.059 0.039 0.000 1.117 102 L HN -0.179 nan 8.230 nan 0.000 0.456 103 V N -1.453 118.468 119.914 0.011 0.000 3.204 103 V HA 0.451 4.571 4.120 0.001 0.000 0.316 103 V C -0.303 175.822 176.094 0.053 0.000 1.160 103 V CA -1.107 61.213 62.300 0.032 0.000 1.044 103 V CB 1.673 33.525 31.823 0.048 0.000 1.136 103 V HN 0.639 nan 8.190 nan 0.000 0.455 104 D N 0.760 121.206 120.400 0.076 0.000 2.520 104 D HA 0.079 4.719 4.640 0.001 0.000 0.243 104 D C -0.466 175.948 176.300 0.191 0.000 1.160 104 D CA 1.146 55.212 54.000 0.111 0.000 0.877 104 D CB -0.656 40.207 40.800 0.105 0.000 1.150 104 D HN 0.957 nan 8.370 nan 0.000 0.494 105 Y N 2.104 122.417 120.300 0.022 0.000 2.883 105 Y HA -0.239 4.312 4.550 0.001 0.000 0.071 105 Y C -0.899 175.009 175.900 0.014 0.000 2.067 105 Y CA 0.504 58.616 58.100 0.019 0.000 1.096 105 Y CB -1.351 37.123 38.460 0.022 0.000 1.764 105 Y HN 0.331 nan 8.280 nan 0.000 0.309 106 S N 6.433 121.925 115.700 -0.347 0.000 2.300 106 S HA 0.220 4.690 4.470 0.001 0.000 0.172 106 S C -1.388 173.035 174.600 -0.295 0.000 1.484 106 S CA -0.122 57.922 58.200 -0.259 0.000 1.265 106 S CB 1.160 64.297 63.200 -0.105 0.000 1.313 106 S HN 0.546 nan 8.310 nan 0.000 0.387 107 P HA -0.088 nan 4.420 nan 0.000 0.218 107 P C 1.175 178.392 177.300 -0.138 0.000 1.148 107 P CA 0.989 63.902 63.100 -0.312 0.000 0.822 107 P CB 0.167 31.644 31.700 -0.372 0.000 0.784 108 V N 0.791 120.646 119.914 -0.099 0.000 2.436 108 V HA -0.102 4.019 4.120 0.001 0.000 0.240 108 V C 2.956 179.119 176.094 0.116 0.000 1.040 108 V CA 1.930 64.242 62.300 0.020 0.000 1.052 108 V CB -1.448 30.386 31.823 0.018 0.000 0.707 108 V HN 0.212 nan 8.190 nan 0.000 0.469 109 S N 2.022 117.757 115.700 0.058 0.000 2.400 109 S HA -0.279 4.191 4.470 0.001 0.000 0.232 109 S C 1.796 176.530 174.600 0.223 0.000 1.025 109 S CA 1.736 60.022 58.200 0.143 0.000 0.993 109 S CB -0.676 62.460 63.200 -0.105 0.000 0.808 109 S HN 0.871 nan 8.310 nan 0.000 0.478 110 E N 1.653 121.900 120.200 0.078 0.000 2.409 110 E HA -0.094 4.256 4.350 0.001 0.000 0.198 110 E C 1.560 178.165 176.600 0.009 0.000 1.024 110 E CA 0.773 57.209 56.400 0.060 0.000 0.861 110 E CB -0.311 29.385 29.700 -0.007 0.000 0.788 110 E HN 0.564 nan 8.360 nan 0.000 0.521 111 K N -0.097 120.275 120.400 -0.048 0.000 2.404 111 K HA 0.068 4.388 4.320 0.001 0.000 0.194 111 K C 0.004 176.320 176.600 -0.473 0.000 1.023 111 K CA 0.330 56.465 56.287 -0.253 0.000 1.094 111 K CB 0.223 32.520 32.500 -0.339 0.000 0.841 111 K HN 0.304 nan 8.250 nan 0.000 0.523 112 H N -0.147 118.953 119.070 0.050 0.000 2.562 112 H HA 0.203 4.760 4.556 0.001 0.000 0.249 112 H C 0.891 176.115 175.328 -0.175 0.000 1.195 112 H CA -0.210 55.833 56.048 -0.008 0.000 0.938 112 H CB 0.245 30.037 29.762 0.050 0.000 1.891 112 H HN -0.057 nan 8.280 nan 0.000 0.595 113 L N -0.271 120.891 121.223 -0.102 0.000 2.141 113 L HA -0.078 4.263 4.340 0.001 0.000 0.209 113 L C 2.359 179.129 176.870 -0.166 0.000 1.094 113 L CA 1.262 55.972 54.840 -0.218 0.000 0.763 113 L CB -0.104 41.903 42.059 -0.087 0.000 0.908 113 L HN 0.486 nan 8.230 nan 0.000 0.437 114 A N 0.161 122.934 122.820 -0.078 0.000 1.935 114 A HA -0.136 4.184 4.320 0.001 0.000 0.214 114 A C 1.801 179.399 177.584 0.024 0.000 1.178 114 A CA 1.441 53.459 52.037 -0.032 0.000 0.640 114 A CB -0.162 18.824 19.000 -0.023 0.000 0.825 114 A HN 0.543 nan 8.150 nan 0.000 0.447 115 D N -1.974 118.459 120.400 0.054 0.000 2.441 115 D HA 0.340 4.980 4.640 0.001 0.000 0.210 115 D C 0.970 177.302 176.300 0.053 0.000 1.102 115 D CA 0.803 54.873 54.000 0.117 0.000 0.840 115 D CB -0.356 40.520 40.800 0.126 0.000 0.990 115 D HN 0.824 nan 8.370 nan 0.000 0.505 116 G N 0.545 109.291 108.800 -0.089 0.000 2.855 116 G HA2 -0.138 3.822 3.960 0.001 0.000 0.352 116 G HA3 -0.138 3.822 3.960 0.001 0.000 0.352 116 G C -0.719 174.097 174.900 -0.140 0.000 1.415 116 G CA -0.067 44.853 45.100 -0.301 0.000 0.871 116 G HN 0.254 nan 8.290 nan 0.000 0.543 117 M N 0.580 120.136 119.600 -0.072 0.000 2.501 117 M HA 0.480 4.960 4.480 0.001 0.000 0.293 117 M C 0.689 176.934 176.300 -0.091 0.000 1.192 117 M CA -0.384 54.856 55.300 -0.101 0.000 0.886 117 M CB 2.642 35.223 32.600 -0.031 0.000 1.710 117 M HN 1.109 nan 8.290 nan 0.000 0.457 118 T N -1.097 113.403 114.554 -0.090 0.000 2.828 118 T HA 0.280 4.631 4.350 0.001 0.000 0.290 118 T C 1.079 175.758 174.700 -0.034 0.000 1.019 118 T CA -0.843 61.228 62.100 -0.049 0.000 1.031 118 T CB 0.903 69.758 68.868 -0.022 0.000 1.001 118 T HN 0.412 nan 8.240 nan 0.000 0.531 119 V N 2.529 122.436 119.914 -0.011 0.000 2.332 119 V HA -0.068 4.053 4.120 0.001 0.000 0.248 119 V C 2.900 178.993 176.094 -0.002 0.000 1.055 119 V CA 2.447 64.741 62.300 -0.010 0.000 1.038 119 V CB -1.570 30.262 31.823 0.015 0.000 0.651 119 V HN 1.131 nan 8.190 nan 0.000 0.450 120 G N -0.935 107.906 108.800 0.069 0.000 2.418 120 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 120 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 120 G C 1.489 176.435 174.900 0.077 0.000 1.158 120 G CA 0.845 46.059 45.100 0.189 0.000 0.771 120 G HN 0.559 nan 8.290 nan 0.000 0.545 121 E N -0.150 120.053 120.200 0.005 0.000 2.110 121 E HA -0.028 4.322 4.350 0.001 0.000 0.193 121 E C 2.583 179.099 176.600 -0.140 0.000 0.988 121 E CA 0.385 56.752 56.400 -0.056 0.000 0.804 121 E CB -0.144 29.501 29.700 -0.091 0.000 0.745 121 E HN 0.404 nan 8.360 nan 0.000 0.458 122 L N 0.108 121.243 121.223 -0.148 0.000 2.046 122 L HA -0.233 4.107 4.340 0.001 0.000 0.208 122 L C 2.615 179.301 176.870 -0.307 0.000 1.077 122 L CA 0.779 55.505 54.840 -0.189 0.000 0.747 122 L CB -0.346 41.623 42.059 -0.151 0.000 0.896 122 L HN 0.298 nan 8.230 nan 0.000 0.432 123 c N -0.478 117.854 118.600 -0.447 0.000 2.440 123 c HA -0.122 4.449 4.570 0.001 0.000 0.278 123 c C 3.136 176.596 174.090 -1.051 0.000 1.295 123 c CA 0.694 56.520 56.329 -0.839 0.000 1.738 123 c CB -0.906 40.773 42.510 -1.385 0.000 1.987 123 c HN 0.617 nan 8.230 nan 0.000 0.492 124 A N 0.273 122.551 122.820 -0.904 0.000 1.902 124 A HA 0.040 4.360 4.320 0.001 0.000 0.217 124 A C 2.335 179.724 177.584 -0.325 0.000 1.181 124 A CA 2.100 53.769 52.037 -0.614 0.000 0.623 124 A CB -0.827 18.099 19.000 -0.124 0.000 0.818 124 A HN 0.579 nan 8.150 nan 0.000 0.443 125 A N -0.290 122.378 122.820 -0.253 0.000 1.898 125 A HA 0.241 4.562 4.320 0.001 0.000 0.216 125 A C 2.489 179.974 177.584 -0.165 0.000 1.181 125 A CA 1.864 53.806 52.037 -0.158 0.000 0.620 125 A CB -0.941 17.985 19.000 -0.123 0.000 0.819 125 A HN 0.997 nan 8.150 nan 0.000 0.442 126 A N -0.170 122.510 122.820 -0.233 0.000 1.902 126 A HA -0.038 4.283 4.320 0.001 0.000 0.217 126 A C 2.124 179.580 177.584 -0.214 0.000 1.181 126 A CA 1.581 53.490 52.037 -0.213 0.000 0.623 126 A CB -0.494 18.348 19.000 -0.263 0.000 0.818 126 A HN 0.487 nan 8.150 nan 0.000 0.443 127 I N -0.464 119.942 120.570 -0.274 0.000 2.339 127 I HA -0.136 4.034 4.170 0.001 0.000 0.245 127 I C 2.741 178.801 176.117 -0.095 0.000 1.096 127 I CA 1.684 62.869 61.300 -0.190 0.000 1.408 127 I CB -0.323 37.560 38.000 -0.196 0.000 1.092 127 I HN 0.508 nan 8.210 nan 0.000 0.423 128 T N -1.869 112.630 114.554 -0.091 0.000 3.067 128 T HA 0.046 4.396 4.350 0.001 0.000 0.261 128 T C 1.462 176.162 174.700 0.000 0.000 1.110 128 T CA 0.620 62.709 62.100 -0.020 0.000 1.113 128 T CB 0.235 69.108 68.868 0.009 0.000 0.917 128 T HN 0.066 nan 8.240 nan 0.000 0.499 129 M N 1.241 120.839 119.600 -0.004 0.000 2.279 129 M HA 0.313 4.793 4.480 0.001 0.000 0.306 129 M C 0.994 177.378 176.300 0.140 0.000 0.965 129 M CA 0.777 56.112 55.300 0.059 0.000 1.038 129 M CB 0.127 32.743 32.600 0.026 0.000 1.636 129 M HN 0.619 nan 8.290 nan 0.000 0.574 130 S N 1.325 117.061 115.700 0.061 0.000 3.641 130 S HA -0.160 4.310 4.470 0.001 0.000 0.346 130 S C -0.121 174.586 174.600 0.180 0.000 1.074 130 S CA 0.769 59.015 58.200 0.076 0.000 1.026 130 S CB -2.306 60.941 63.200 0.078 0.000 0.908 130 S HN 0.631 nan 8.310 nan 0.000 0.479 131 D N 1.119 121.560 120.400 0.067 0.000 2.382 131 D HA 0.128 4.768 4.640 0.001 0.000 0.259 131 D C 1.115 177.435 176.300 0.034 0.000 1.224 131 D CA -0.080 53.923 54.000 0.006 0.000 0.894 131 D CB 0.318 41.068 40.800 -0.084 0.000 1.127 131 D HN 0.440 nan 8.370 nan 0.000 0.487 132 N N 2.006 120.767 118.700 0.102 0.000 2.270 132 N HA -0.107 4.634 4.740 0.001 0.000 0.181 132 N C 1.590 177.140 175.510 0.066 0.000 1.016 132 N CA 0.546 53.667 53.050 0.118 0.000 0.870 132 N CB 0.076 38.666 38.487 0.171 0.000 0.979 132 N HN 0.295 nan 8.380 nan 0.000 0.431 133 S N 0.933 116.629 115.700 -0.006 0.000 2.383 133 S HA 0.008 4.479 4.470 0.001 0.000 0.227 133 S C 2.102 176.626 174.600 -0.125 0.000 1.026 133 S CA 0.902 59.062 58.200 -0.068 0.000 0.981 133 S CB -0.122 63.000 63.200 -0.130 0.000 0.818 133 S HN 0.458 nan 8.310 nan 0.000 0.472 134 A N 1.701 124.438 122.820 -0.138 0.000 1.902 134 A HA 0.113 4.433 4.320 0.001 0.000 0.217 134 A C 2.357 179.887 177.584 -0.091 0.000 1.181 134 A CA 1.654 53.593 52.037 -0.163 0.000 0.623 134 A CB -1.083 17.821 19.000 -0.160 0.000 0.818 134 A HN 0.504 nan 8.150 nan 0.000 0.443 135 A N 0.221 123.021 122.820 -0.033 0.000 1.902 135 A HA -0.209 4.112 4.320 0.001 0.000 0.217 135 A C 1.932 179.602 177.584 0.143 0.000 1.181 135 A CA 1.917 53.974 52.037 0.034 0.000 0.623 135 A CB -0.624 18.437 19.000 0.103 0.000 0.818 135 A HN 0.529 nan 8.150 nan 0.000 0.443 136 N N -0.009 118.798 118.700 0.179 0.000 2.188 136 N HA -0.048 4.693 4.740 0.001 0.000 0.184 136 N C 1.623 177.280 175.510 0.246 0.000 1.018 136 N CA 1.119 54.358 53.050 0.316 0.000 0.858 136 N CB -0.465 38.184 38.487 0.271 0.000 0.989 136 N HN 0.511 nan 8.380 nan 0.000 0.426 137 L N 0.388 121.651 121.223 0.066 0.000 2.046 137 L HA -0.108 4.233 4.340 0.001 0.000 0.208 137 L C 2.120 179.022 176.870 0.054 0.000 1.077 137 L CA 0.843 55.695 54.840 0.020 0.000 0.747 137 L CB -0.398 41.594 42.059 -0.112 0.000 0.896 137 L HN 0.129 nan 8.230 nan 0.000 0.432 138 L N -1.062 120.175 121.223 0.024 0.000 2.056 138 L HA -0.229 4.112 4.340 0.001 0.000 0.207 138 L C 2.521 179.417 176.870 0.044 0.000 1.078 138 L CA 0.568 55.412 54.840 0.007 0.000 0.749 138 L CB -0.470 41.560 42.059 -0.048 0.000 0.901 138 L HN 0.230 nan 8.230 nan 0.000 0.433 139 L N 0.342 121.622 121.223 0.095 0.000 2.042 139 L HA -0.182 4.159 4.340 0.001 0.000 0.210 139 L C 2.655 179.580 176.870 0.093 0.000 1.076 139 L CA 2.059 56.922 54.840 0.039 0.000 0.749 139 L CB -0.881 41.153 42.059 -0.042 0.000 0.893 139 L HN 0.181 nan 8.230 nan 0.000 0.432 140 A N -1.387 121.607 122.820 0.289 0.000 1.933 140 A HA -0.229 4.092 4.320 0.001 0.000 0.218 140 A C 2.320 179.991 177.584 0.145 0.000 1.175 140 A CA 2.210 54.431 52.037 0.307 0.000 0.628 140 A CB -1.259 17.898 19.000 0.262 0.000 0.814 140 A HN 0.608 nan 8.150 nan 0.000 0.444 141 T N -1.840 112.768 114.554 0.090 0.000 2.962 141 T HA -0.044 4.306 4.350 0.001 0.000 0.270 141 T C 1.220 175.935 174.700 0.026 0.000 1.088 141 T CA 1.523 63.653 62.100 0.049 0.000 1.127 141 T CB -0.701 68.183 68.868 0.027 0.000 0.883 141 T HN 0.868 nan 8.240 nan 0.000 0.493 142 V N -2.638 117.283 119.914 0.011 0.000 3.376 142 V HA 0.750 4.870 4.120 0.001 0.000 0.313 142 V C 1.416 177.511 176.094 0.002 0.000 1.393 142 V CA -0.111 62.179 62.300 -0.017 0.000 1.125 142 V CB -0.773 31.006 31.823 -0.073 0.000 1.037 142 V HN 0.707 nan 8.190 nan 0.000 0.440 143 G N -0.996 107.821 108.800 0.030 0.000 2.134 143 G HA2 0.236 4.196 3.960 0.001 0.000 0.209 143 G HA3 0.236 4.196 3.960 0.001 0.000 0.209 143 G C 1.100 176.006 174.900 0.010 0.000 0.993 143 G CA 0.076 45.199 45.100 0.038 0.000 0.669 143 G HN 2.292 nan 8.290 nan 0.000 0.519 144 G N -0.818 107.958 108.800 -0.041 0.000 2.750 144 G HA2 0.047 4.007 3.960 0.001 0.000 0.228 144 G HA3 0.047 4.007 3.960 0.001 0.000 0.228 144 G C -0.766 173.893 174.900 -0.401 0.000 1.367 144 G CA 0.289 45.204 45.100 -0.309 0.000 0.871 144 G HN 0.614 nan 8.290 nan 0.000 0.560 145 P HA -0.080 nan 4.420 nan 0.000 0.216 145 P C 2.257 179.430 177.300 -0.212 0.000 1.153 145 P CA 3.216 66.051 63.100 -0.442 0.000 0.858 145 P CB -0.137 31.259 31.700 -0.507 0.000 0.789 146 A N -0.465 122.268 122.820 -0.145 0.000 1.930 146 A HA -0.046 4.274 4.320 0.001 0.000 0.217 146 A C 2.478 180.045 177.584 -0.029 0.000 1.175 146 A CA 1.956 53.956 52.037 -0.062 0.000 0.627 146 A CB -1.806 17.178 19.000 -0.026 0.000 0.815 146 A HN 0.278 nan 8.150 nan 0.000 0.443 147 G N -0.258 108.524 108.800 -0.031 0.000 2.418 147 G HA2 -0.124 3.837 3.960 0.001 0.000 0.217 147 G HA3 -0.124 3.837 3.960 0.001 0.000 0.217 147 G C 1.474 176.399 174.900 0.041 0.000 1.158 147 G CA 1.182 46.288 45.100 0.010 0.000 0.771 147 G HN 0.458 nan 8.290 nan 0.000 0.545 148 L N 0.981 122.204 121.223 -0.000 0.000 2.056 148 L HA 0.037 4.378 4.340 0.001 0.000 0.207 148 L C 2.870 179.813 176.870 0.122 0.000 1.078 148 L CA 2.380 57.258 54.840 0.063 0.000 0.749 148 L CB -0.907 41.156 42.059 0.006 0.000 0.901 148 L HN 0.167 nan 8.230 nan 0.000 0.433 149 T N -0.213 114.364 114.554 0.038 0.000 2.788 149 T HA -0.130 4.221 4.350 0.001 0.000 0.268 149 T C 1.890 176.618 174.700 0.047 0.000 1.044 149 T CA 1.234 63.352 62.100 0.031 0.000 1.139 149 T CB -0.445 68.414 68.868 -0.015 0.000 0.867 149 T HN 0.512 nan 8.240 nan 0.000 0.454 150 A N 0.986 123.841 122.820 0.058 0.000 1.930 150 A HA 0.018 4.338 4.320 0.001 0.000 0.217 150 A C 1.981 179.614 177.584 0.081 0.000 1.175 150 A CA 1.127 53.196 52.037 0.054 0.000 0.627 150 A CB -0.897 18.136 19.000 0.055 0.000 0.815 150 A HN 0.501 nan 8.150 nan 0.000 0.443 151 F N 0.666 120.616 119.950 0.001 0.000 2.134 151 F HA -0.145 4.383 4.527 0.001 0.000 0.299 151 F C 1.800 177.608 175.800 0.013 0.000 1.097 151 F CA 1.677 59.684 58.000 0.011 0.000 1.264 151 F CB -0.323 38.686 39.000 0.016 0.000 1.001 151 F HN 0.142 nan 8.300 nan 0.000 0.479 152 L N 0.079 121.284 121.223 -0.029 0.000 2.046 152 L HA -0.222 4.118 4.340 0.001 0.000 0.208 152 L C 2.723 179.501 176.870 -0.154 0.000 1.077 152 L CA 1.121 55.889 54.840 -0.119 0.000 0.747 152 L CB -0.661 41.412 42.059 0.024 0.000 0.896 152 L HN 0.013 nan 8.230 nan 0.000 0.432 153 R N 0.060 120.507 120.500 -0.088 0.000 2.096 153 R HA -0.166 4.174 4.340 0.001 0.000 0.235 153 R C 2.143 178.377 176.300 -0.110 0.000 1.127 153 R CA 1.261 57.316 56.100 -0.075 0.000 0.968 153 R CB -0.629 29.648 30.300 -0.038 0.000 0.861 153 R HN 0.548 nan 8.270 nan 0.000 0.440 154 Q N 0.392 120.099 119.800 -0.155 0.000 2.224 154 Q HA -0.034 4.307 4.340 0.001 0.000 0.203 154 Q C 1.865 177.736 176.000 -0.216 0.000 0.970 154 Q CA 1.103 56.808 55.803 -0.162 0.000 0.865 154 Q CB -0.033 28.618 28.738 -0.144 0.000 0.922 154 Q HN 0.494 nan 8.270 nan 0.000 0.445 155 I N -4.658 115.716 120.570 -0.326 0.000 3.875 155 I HA 0.401 4.571 4.170 0.001 0.000 0.329 155 I C 0.813 176.839 176.117 -0.151 0.000 1.295 155 I CA 0.469 61.609 61.300 -0.266 0.000 1.129 155 I CB 0.168 37.936 38.000 -0.385 0.000 1.008 155 I HN 0.144 nan 8.210 nan 0.000 0.413 156 G N 1.633 110.359 108.800 -0.123 0.000 2.141 156 G HA2 -0.258 3.702 3.960 0.001 0.000 0.231 156 G HA3 -0.258 3.702 3.960 0.001 0.000 0.231 156 G C -0.281 174.585 174.900 -0.057 0.000 0.984 156 G CA 0.210 45.266 45.100 -0.074 0.000 0.660 156 G HN 0.571 nan 8.290 nan 0.000 0.525 157 D N 0.293 120.653 120.400 -0.066 0.000 2.412 157 D HA 0.377 5.017 4.640 0.001 0.000 0.224 157 D C 0.888 177.169 176.300 -0.031 0.000 1.093 157 D CA -0.552 53.426 54.000 -0.036 0.000 0.850 157 D CB -0.097 40.687 40.800 -0.025 0.000 1.046 157 D HN 0.313 nan 8.370 nan 0.000 0.507 158 N N 2.077 120.763 118.700 -0.022 0.000 2.235 158 N HA 0.069 4.810 4.740 0.001 0.000 0.209 158 N C 0.943 176.444 175.510 -0.015 0.000 1.122 158 N CA -0.176 52.862 53.050 -0.021 0.000 0.845 158 N CB 1.258 39.733 38.487 -0.020 0.000 1.004 158 N HN 0.160 nan 8.380 nan 0.000 0.499 159 V N -0.668 119.240 119.914 -0.010 0.000 2.854 159 V HA 0.057 4.178 4.120 0.001 0.000 0.236 159 V C 0.823 176.913 176.094 -0.008 0.000 1.157 159 V CA 0.606 62.901 62.300 -0.008 0.000 1.187 159 V CB 0.128 31.951 31.823 -0.000 0.000 0.949 159 V HN 0.105 nan 8.190 nan 0.000 0.488 160 T N 4.386 118.942 114.554 0.004 0.000 2.934 160 T HA 0.297 4.647 4.350 0.001 0.000 0.306 160 T C -0.013 174.686 174.700 -0.002 0.000 1.042 160 T CA 0.356 62.461 62.100 0.008 0.000 1.145 160 T CB -0.077 68.813 68.868 0.037 0.000 0.982 160 T HN 0.619 nan 8.240 nan 0.000 0.544 161 R N 1.801 122.290 120.500 -0.019 0.000 2.604 161 R HA 0.702 5.043 4.340 0.001 0.000 0.281 161 R C -1.896 174.363 176.300 -0.069 0.000 1.020 161 R CA -1.133 54.945 56.100 -0.037 0.000 0.899 161 R CB 1.019 31.293 30.300 -0.044 0.000 1.205 161 R HN 0.412 nan 8.270 nan 0.000 0.450 162 L N 2.003 123.168 121.223 -0.097 0.000 2.322 162 L HA 0.455 4.796 4.340 0.001 0.000 0.281 162 L C -0.823 175.929 176.870 -0.197 0.000 1.014 162 L CA 0.216 54.944 54.840 -0.188 0.000 0.815 162 L CB 1.962 43.873 42.059 -0.247 0.000 1.247 162 L HN 0.865 nan 8.230 nan 0.000 0.421 163 D N 2.186 122.461 120.400 -0.209 0.000 2.473 163 D HA 0.251 4.892 4.640 0.001 0.000 0.242 163 D C -0.055 176.133 176.300 -0.187 0.000 1.106 163 D CA 0.097 53.998 54.000 -0.165 0.000 0.854 163 D CB 0.573 41.313 40.800 -0.100 0.000 1.192 163 D HN 0.382 nan 8.370 nan 0.000 0.503 164 R N -0.609 119.748 120.500 -0.238 0.000 2.912 164 R HA 0.524 4.865 4.340 0.001 0.000 0.262 164 R C -1.152 174.955 176.300 -0.322 0.000 1.057 164 R CA -0.924 55.074 56.100 -0.170 0.000 0.981 164 R CB 1.283 31.556 30.300 -0.045 0.000 1.201 164 R HN -0.072 nan 8.270 nan 0.000 0.484 165 W N -0.314 120.917 121.300 -0.115 0.000 2.141 165 W HA 0.339 4.999 4.660 0.001 0.000 0.354 165 W C 1.429 177.891 176.519 -0.094 0.000 1.297 165 W CA -0.002 57.282 57.345 -0.102 0.000 1.380 165 W CB 0.259 29.693 29.460 -0.043 0.000 1.168 165 W HN 0.787 nan 8.180 nan 0.000 0.639 166 A N 0.452 123.401 122.820 0.216 0.000 1.954 166 A HA -0.299 4.021 4.320 0.001 0.000 0.222 166 A C 1.671 179.357 177.584 0.170 0.000 1.199 166 A CA 2.909 55.076 52.037 0.216 0.000 0.657 166 A CB -1.559 17.617 19.000 0.293 0.000 0.823 166 A HN 0.693 nan 8.150 nan 0.000 0.463 167 T N -4.472 110.172 114.554 0.149 0.000 3.186 167 T HA 0.481 4.832 4.350 0.001 0.000 0.257 167 T C 0.566 175.315 174.700 0.081 0.000 1.029 167 T CA 0.643 62.810 62.100 0.111 0.000 0.916 167 T CB 0.477 69.406 68.868 0.101 0.000 1.041 167 T HN 0.401 nan 8.240 nan 0.000 0.562 168 E N 0.702 120.947 120.200 0.074 0.000 2.536 168 E HA 0.256 4.607 4.350 0.001 0.000 0.220 168 E C 1.393 178.004 176.600 0.018 0.000 0.876 168 E CA -0.039 56.392 56.400 0.051 0.000 1.190 168 E CB 0.077 29.818 29.700 0.068 0.000 1.191 168 E HN 0.503 nan 8.360 nan 0.000 0.557 169 L N -0.893 120.324 121.223 -0.010 0.000 2.622 169 L HA 0.201 4.541 4.340 0.001 0.000 0.233 169 L C 0.402 177.264 176.870 -0.013 0.000 1.156 169 L CA 1.120 55.925 54.840 -0.059 0.000 0.866 169 L CB -0.502 41.445 42.059 -0.187 0.000 0.980 169 L HN -0.110 nan 8.230 nan 0.000 0.448 170 N N -0.277 118.436 118.700 0.023 0.000 2.270 170 N HA 0.001 4.741 4.740 0.001 0.000 0.198 170 N C 1.410 176.938 175.510 0.029 0.000 1.117 170 N CA 0.169 53.243 53.050 0.040 0.000 0.845 170 N CB 0.051 38.572 38.487 0.057 0.000 0.980 170 N HN 0.518 nan 8.380 nan 0.000 0.486 171 E N 1.500 121.711 120.200 0.017 0.000 2.118 171 E HA -0.120 4.231 4.350 0.001 0.000 0.195 171 E C 0.389 176.996 176.600 0.011 0.000 0.992 171 E CA 0.803 57.211 56.400 0.013 0.000 0.804 171 E CB -0.041 29.663 29.700 0.007 0.000 0.741 171 E HN 0.306 nan 8.360 nan 0.000 0.458 172 A N 0.123 122.947 122.820 0.006 0.000 2.687 172 A HA -0.200 4.121 4.320 0.001 0.000 0.299 172 A C 0.091 177.671 177.584 -0.006 0.000 1.497 172 A CA 0.531 52.570 52.037 0.003 0.000 0.751 172 A CB -2.421 16.593 19.000 0.024 0.000 1.048 172 A HN 0.323 nan 8.150 nan 0.000 0.464 173 L N 0.897 122.112 121.223 -0.014 0.000 2.453 173 L HA 0.292 4.633 4.340 0.001 0.000 0.272 173 L C -1.351 175.502 176.870 -0.029 0.000 1.182 173 L CA -1.613 53.218 54.840 -0.016 0.000 0.858 173 L CB 0.241 42.290 42.059 -0.016 0.000 1.120 173 L HN 0.309 nan 8.230 nan 0.000 0.474 174 P HA 0.027 nan 4.420 nan 0.000 0.268 174 P C 0.755 178.027 177.300 -0.047 0.000 1.204 174 P CA 0.486 63.561 63.100 -0.041 0.000 0.768 174 P CB 1.058 32.739 31.700 -0.032 0.000 0.842 175 G N 1.756 110.518 108.800 -0.064 0.000 2.212 175 G HA2 -0.226 3.734 3.960 0.001 0.000 0.266 175 G HA3 -0.226 3.734 3.960 0.001 0.000 0.266 175 G C 0.128 174.994 174.900 -0.057 0.000 0.978 175 G CA 0.201 45.264 45.100 -0.061 0.000 0.632 175 G HN 0.661 nan 8.290 nan 0.000 0.537 176 D N 0.674 121.041 120.400 -0.055 0.000 2.295 176 D HA 0.648 5.289 4.640 0.001 0.000 0.248 176 D C 1.289 177.552 176.300 -0.060 0.000 1.154 176 D CA 0.430 54.401 54.000 -0.049 0.000 0.857 176 D CB 0.968 41.744 40.800 -0.040 0.000 1.117 176 D HN 0.378 nan 8.370 nan 0.000 0.468 177 A N 5.055 127.841 122.820 -0.057 0.000 2.208 177 A HA 0.027 4.348 4.320 0.001 0.000 0.209 177 A C 1.170 178.717 177.584 -0.061 0.000 1.161 177 A CA 0.163 52.163 52.037 -0.062 0.000 0.782 177 A CB 0.028 18.996 19.000 -0.054 0.000 0.816 177 A HN 0.531 nan 8.150 nan 0.000 0.477 178 R N 1.208 121.674 120.500 -0.056 0.000 2.623 178 R HA 0.152 4.492 4.340 0.001 0.000 0.271 178 R C -0.503 175.752 176.300 -0.074 0.000 1.043 178 R CA 0.322 56.385 56.100 -0.063 0.000 1.083 178 R CB 0.052 30.319 30.300 -0.056 0.000 0.974 178 R HN 0.350 nan 8.270 nan 0.000 0.436 179 D N 0.466 120.810 120.400 -0.093 0.000 2.689 179 D HA -0.157 4.483 4.640 0.001 0.000 0.237 179 D C -0.248 176.004 176.300 -0.080 0.000 1.148 179 D CA 1.676 55.612 54.000 -0.107 0.000 0.656 179 D CB -1.054 39.672 40.800 -0.123 0.000 1.050 179 D HN 0.738 nan 8.370 nan 0.000 0.426 180 T N -3.821 110.688 114.554 -0.074 0.000 2.926 180 T HA 0.745 5.096 4.350 0.001 0.000 0.289 180 T C 0.078 174.736 174.700 -0.070 0.000 1.054 180 T CA -0.511 61.539 62.100 -0.083 0.000 1.015 180 T CB 3.439 72.256 68.868 -0.084 0.000 1.167 180 T HN 0.058 nan 8.240 nan 0.000 0.526 181 T N -0.157 114.339 114.554 -0.097 0.000 2.696 181 T HA 0.774 5.124 4.350 0.001 0.000 0.291 181 T C -1.063 173.631 174.700 -0.010 0.000 1.095 181 T CA -0.198 61.874 62.100 -0.046 0.000 1.026 181 T CB 1.445 70.297 68.868 -0.028 0.000 1.390 181 T HN 1.256 nan 8.240 nan 0.000 0.513 182 T N -0.270 114.318 114.554 0.056 0.000 2.916 182 T HA 0.610 4.961 4.350 0.001 0.000 0.292 182 T C -2.302 172.498 174.700 0.167 0.000 1.055 182 T CA -1.758 60.424 62.100 0.135 0.000 1.009 182 T CB 1.497 70.425 68.868 0.100 0.000 1.118 182 T HN 0.273 nan 8.240 nan 0.000 0.497 183 P HA -0.031 nan 4.420 nan 0.000 0.215 183 P C 1.673 179.049 177.300 0.127 0.000 1.153 183 P CA 1.639 64.850 63.100 0.184 0.000 0.853 183 P CB -0.211 31.558 31.700 0.114 0.000 0.788 184 A N -0.817 122.061 122.820 0.097 0.000 1.902 184 A HA -0.169 4.152 4.320 0.001 0.000 0.217 184 A C 2.340 179.962 177.584 0.064 0.000 1.181 184 A CA 2.181 54.258 52.037 0.067 0.000 0.623 184 A CB -1.515 17.515 19.000 0.049 0.000 0.818 184 A HN 0.115 nan 8.150 nan 0.000 0.443 185 S N -0.938 114.803 115.700 0.069 0.000 2.355 185 S HA -0.170 4.300 4.470 0.001 0.000 0.222 185 S C 2.014 176.660 174.600 0.076 0.000 1.031 185 S CA 1.840 60.075 58.200 0.058 0.000 0.993 185 S CB -0.346 62.883 63.200 0.049 0.000 0.859 185 S HN 0.566 nan 8.310 nan 0.000 0.453 186 M N 2.397 122.065 119.600 0.113 0.000 2.117 186 M HA 0.050 4.531 4.480 0.001 0.000 0.262 186 M C 1.997 178.363 176.300 0.110 0.000 1.065 186 M CA 1.500 56.884 55.300 0.140 0.000 1.114 186 M CB -0.982 31.762 32.600 0.240 0.000 1.361 186 M HN 0.238 nan 8.290 nan 0.000 0.408 187 A N -0.243 122.634 122.820 0.095 0.000 1.877 187 A HA 0.025 4.345 4.320 0.001 0.000 0.216 187 A C 2.391 180.008 177.584 0.055 0.000 1.186 187 A CA 2.228 54.306 52.037 0.068 0.000 0.620 187 A CB -1.506 17.527 19.000 0.055 0.000 0.822 187 A HN 0.647 nan 8.150 nan 0.000 0.443 188 A N -1.253 121.596 122.820 0.048 0.000 1.902 188 A HA -0.091 4.229 4.320 0.001 0.000 0.217 188 A C 2.310 179.915 177.584 0.035 0.000 1.181 188 A CA 2.324 54.381 52.037 0.033 0.000 0.623 188 A CB -1.224 17.790 19.000 0.024 0.000 0.818 188 A HN 0.428 nan 8.150 nan 0.000 0.443 189 T N 0.312 114.894 114.554 0.047 0.000 2.777 189 T HA -0.036 4.315 4.350 0.001 0.000 0.266 189 T C 1.803 176.546 174.700 0.072 0.000 1.040 189 T CA 1.357 63.488 62.100 0.052 0.000 1.141 189 T CB -0.334 68.574 68.868 0.067 0.000 0.868 189 T HN 0.368 nan 8.240 nan 0.000 0.444 190 L N 0.485 121.756 121.223 0.080 0.000 2.056 190 L HA -0.046 4.295 4.340 0.001 0.000 0.207 190 L C 2.818 179.729 176.870 0.067 0.000 1.078 190 L CA 1.305 56.195 54.840 0.085 0.000 0.749 190 L CB -0.472 41.637 42.059 0.084 0.000 0.901 190 L HN 0.163 nan 8.230 nan 0.000 0.433 191 R N 0.742 121.273 120.500 0.051 0.000 2.081 191 R HA -0.190 4.150 4.340 0.001 0.000 0.235 191 R C 2.286 178.607 176.300 0.035 0.000 1.131 191 R CA 1.507 57.629 56.100 0.037 0.000 0.960 191 R CB -0.005 30.311 30.300 0.026 0.000 0.856 191 R HN 0.238 nan 8.270 nan 0.000 0.436 192 K N 0.192 120.613 120.400 0.034 0.000 2.063 192 K HA -0.133 4.187 4.320 0.001 0.000 0.208 192 K C 2.094 178.723 176.600 0.048 0.000 1.048 192 K CA 1.636 57.939 56.287 0.028 0.000 0.928 192 K CB -0.149 32.357 32.500 0.010 0.000 0.713 192 K HN 0.213 nan 8.250 nan 0.000 0.442 193 L N 0.592 121.860 121.223 0.074 0.000 2.056 193 L HA -0.164 4.177 4.340 0.001 0.000 0.207 193 L C 2.208 179.124 176.870 0.078 0.000 1.078 193 L CA 1.062 55.964 54.840 0.105 0.000 0.749 193 L CB -0.304 41.841 42.059 0.143 0.000 0.901 193 L HN 0.172 nan 8.230 nan 0.000 0.433 194 L N -1.055 120.206 121.223 0.063 0.000 2.270 194 L HA -0.046 4.294 4.340 0.001 0.000 0.210 194 L C 2.077 178.963 176.870 0.027 0.000 1.104 194 L CA 1.429 56.296 54.840 0.045 0.000 0.804 194 L CB -0.290 41.796 42.059 0.046 0.000 0.937 194 L HN 0.442 nan 8.230 nan 0.000 0.450 195 T N -6.646 107.923 114.554 0.024 0.000 3.046 195 T HA 0.005 4.355 4.350 0.001 0.000 0.270 195 T C 1.511 176.218 174.700 0.011 0.000 0.920 195 T CA 0.391 62.498 62.100 0.012 0.000 0.874 195 T CB -0.037 68.834 68.868 0.005 0.000 1.214 195 T HN 0.148 nan 8.240 nan 0.000 0.536 196 S N 1.476 117.186 115.700 0.016 0.000 2.607 196 S HA 0.063 4.534 4.470 0.001 0.000 0.224 196 S C 1.078 175.685 174.600 0.012 0.000 0.969 196 S CA 0.454 58.661 58.200 0.011 0.000 0.927 196 S CB -0.699 62.506 63.200 0.009 0.000 0.772 196 S HN 0.630 nan 8.310 nan 0.000 0.533 197 Q N -0.717 119.092 119.800 0.016 0.000 2.460 197 Q HA -0.219 4.122 4.340 0.001 0.000 0.248 197 Q C 1.114 177.128 176.000 0.023 0.000 0.847 197 Q CA 0.991 56.803 55.803 0.016 0.000 1.214 197 Q CB -1.501 27.242 28.738 0.009 0.000 1.523 197 Q HN 0.624 nan 8.270 nan 0.000 0.602 198 R N -0.050 120.468 120.500 0.031 0.000 2.093 198 R HA 0.103 4.444 4.340 0.001 0.000 0.224 198 R C 0.819 177.156 176.300 0.062 0.000 1.101 198 R CA 0.734 56.858 56.100 0.040 0.000 0.979 198 R CB 0.207 30.529 30.300 0.038 0.000 0.877 198 R HN 0.203 nan 8.270 nan 0.000 0.441 199 L N 0.951 122.213 121.223 0.065 0.000 2.360 199 L HA 0.208 4.548 4.340 0.001 0.000 0.271 199 L C 0.630 177.521 176.870 0.035 0.000 1.057 199 L CA -0.724 54.155 54.840 0.064 0.000 0.803 199 L CB 1.636 43.738 42.059 0.072 0.000 1.207 199 L HN 0.135 nan 8.230 nan 0.000 0.445 200 S N 0.837 116.553 115.700 0.026 0.000 2.589 200 S HA 0.169 4.639 4.470 0.001 0.000 0.265 200 S C 1.127 175.726 174.600 -0.001 0.000 1.342 200 S CA -0.058 58.148 58.200 0.011 0.000 1.005 200 S CB 1.255 64.459 63.200 0.006 0.000 0.909 200 S HN 0.720 nan 8.310 nan 0.000 0.555 201 A N 1.583 124.399 122.820 -0.007 0.000 1.892 201 A HA -0.156 4.164 4.320 0.001 0.000 0.218 201 A C 2.329 179.895 177.584 -0.030 0.000 1.188 201 A CA 1.846 53.874 52.037 -0.015 0.000 0.631 201 A CB -0.956 18.035 19.000 -0.014 0.000 0.822 201 A HN 0.943 nan 8.150 nan 0.000 0.447 202 R N -0.499 119.980 120.500 -0.035 0.000 2.081 202 R HA -0.101 4.239 4.340 0.001 0.000 0.235 202 R C 2.387 178.636 176.300 -0.085 0.000 1.131 202 R CA 1.724 57.790 56.100 -0.057 0.000 0.960 202 R CB -0.269 30.001 30.300 -0.050 0.000 0.856 202 R HN 0.508 nan 8.270 nan 0.000 0.436 203 S N 0.481 116.145 115.700 -0.060 0.000 2.383 203 S HA -0.134 4.336 4.470 0.001 0.000 0.227 203 S C 1.766 176.322 174.600 -0.073 0.000 1.026 203 S CA 1.053 59.211 58.200 -0.070 0.000 0.981 203 S CB -0.073 63.119 63.200 -0.014 0.000 0.818 203 S HN 0.428 nan 8.310 nan 0.000 0.472 204 Q N 0.615 120.393 119.800 -0.037 0.000 2.084 204 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 204 Q C 2.373 178.340 176.000 -0.055 0.000 0.978 204 Q CA 1.161 56.950 55.803 -0.022 0.000 0.844 204 Q CB -0.166 28.569 28.738 -0.005 0.000 0.898 204 Q HN 0.436 nan 8.270 nan 0.000 0.426 205 R N 0.178 120.631 120.500 -0.078 0.000 2.092 205 R HA -0.178 4.163 4.340 0.001 0.000 0.231 205 R C 2.294 178.486 176.300 -0.181 0.000 1.119 205 R CA 1.391 57.434 56.100 -0.095 0.000 0.970 205 R CB -0.115 30.136 30.300 -0.083 0.000 0.864 205 R HN 0.166 nan 8.270 nan 0.000 0.440 206 Q N 0.908 120.537 119.800 -0.285 0.000 2.079 206 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 206 Q C 1.870 177.468 176.000 -0.670 0.000 0.974 206 Q CA 1.324 56.775 55.803 -0.587 0.000 0.840 206 Q CB -0.235 28.084 28.738 -0.698 0.000 0.898 206 Q HN 0.224 nan 8.270 nan 0.000 0.430 207 L N -0.119 120.919 121.223 -0.309 0.000 2.046 207 L HA -0.071 4.270 4.340 0.001 0.000 0.208 207 L C 2.055 178.962 176.870 0.062 0.000 1.077 207 L CA 1.551 56.396 54.840 0.009 0.000 0.747 207 L CB -0.881 41.237 42.059 0.098 0.000 0.896 207 L HN 0.479 nan 8.230 nan 0.000 0.432 208 L N -0.715 120.508 121.223 -0.000 0.000 2.017 208 L HA -0.207 4.134 4.340 0.001 0.000 0.208 208 L C 2.512 179.416 176.870 0.056 0.000 1.073 208 L CA 1.951 56.825 54.840 0.058 0.000 0.745 208 L CB -0.898 41.190 42.059 0.049 0.000 0.894 208 L HN 0.415 nan 8.230 nan 0.000 0.432 209 Q N -1.016 118.756 119.800 -0.048 0.000 2.124 209 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 209 Q C 1.956 177.991 176.000 0.059 0.000 0.977 209 Q CA 2.059 57.834 55.803 -0.046 0.000 0.850 209 Q CB -0.502 28.143 28.738 -0.156 0.000 0.901 209 Q HN 0.602 nan 8.270 nan 0.000 0.429 210 W N -0.106 121.201 121.300 0.012 0.000 2.358 210 W HA -0.114 4.546 4.660 0.001 0.000 0.303 210 W C 2.024 178.544 176.519 0.002 0.000 1.208 210 W CA 0.935 58.280 57.345 0.000 0.000 1.274 210 W CB -0.836 28.620 29.460 -0.007 0.000 1.138 210 W HN 0.326 nan 8.180 nan 0.000 0.515 211 M N -0.634 119.113 119.600 0.246 0.000 2.175 211 M HA -0.165 4.315 4.480 0.001 0.000 0.264 211 M C 1.929 178.290 176.300 0.101 0.000 1.063 211 M CA 1.131 56.522 55.300 0.152 0.000 1.119 211 M CB -0.879 31.810 32.600 0.148 0.000 1.377 211 M HN -0.299 nan 8.290 nan 0.000 0.415 212 V N 0.343 120.308 119.914 0.086 0.000 2.407 212 V HA -0.248 3.873 4.120 0.001 0.000 0.248 212 V C 1.215 177.308 176.094 -0.002 0.000 1.055 212 V CA 1.675 63.973 62.300 -0.003 0.000 1.049 212 V CB -0.614 31.191 31.823 -0.030 0.000 0.662 212 V HN 0.383 nan 8.190 nan 0.000 0.455 213 D N -0.245 120.189 120.400 0.056 0.000 2.336 213 D HA 0.015 4.655 4.640 0.001 0.000 0.229 213 D C 0.589 176.919 176.300 0.050 0.000 1.061 213 D CA 0.147 54.183 54.000 0.058 0.000 0.875 213 D CB -0.405 40.462 40.800 0.111 0.000 0.904 213 D HN 0.482 nan 8.370 nan 0.000 0.525 214 D N 0.554 120.979 120.400 0.041 0.000 2.531 214 D HA -0.086 4.554 4.640 0.001 0.000 0.239 214 D C 1.204 177.514 176.300 0.016 0.000 1.144 214 D CA 0.268 54.284 54.000 0.027 0.000 0.869 214 D CB 0.704 41.517 40.800 0.020 0.000 1.160 214 D HN -0.218 nan 8.370 nan 0.000 0.484 215 R N 3.068 123.580 120.500 0.020 0.000 2.265 215 R HA 0.071 4.412 4.340 0.001 0.000 0.194 215 R C 1.611 177.923 176.300 0.020 0.000 0.931 215 R CA 0.139 56.250 56.100 0.019 0.000 1.032 215 R CB -0.173 30.143 30.300 0.026 0.000 0.980 215 R HN 0.384 nan 8.270 nan 0.000 0.497 216 V N 0.408 120.334 119.914 0.021 0.000 2.323 216 V HA -0.066 4.054 4.120 0.001 0.000 0.244 216 V C 2.057 178.153 176.094 0.003 0.000 1.041 216 V CA 2.172 64.483 62.300 0.017 0.000 1.025 216 V CB -0.264 31.568 31.823 0.014 0.000 0.656 216 V HN 0.291 nan 8.190 nan 0.000 0.451 217 A N -0.864 121.955 122.820 -0.001 0.000 2.141 217 A HA 0.406 4.727 4.320 0.001 0.000 0.201 217 A C 2.120 179.698 177.584 -0.010 0.000 1.344 217 A CA 0.909 52.941 52.037 -0.008 0.000 0.971 217 A CB -0.487 18.506 19.000 -0.011 0.000 1.035 217 A HN 0.416 nan 8.150 nan 0.000 0.480 218 G N 1.658 110.453 108.800 -0.009 0.000 2.586 218 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 218 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 218 G C -0.255 174.630 174.900 -0.024 0.000 1.216 218 G CA 1.742 46.831 45.100 -0.018 0.000 0.786 218 G HN 0.447 nan 8.290 nan 0.000 0.583 219 P HA -0.066 nan 4.420 nan 0.000 0.215 219 P C 2.043 179.332 177.300 -0.019 0.000 1.153 219 P CA 0.654 63.743 63.100 -0.019 0.000 0.853 219 P CB -0.116 31.577 31.700 -0.012 0.000 0.788 220 L N -0.605 120.608 121.223 -0.016 0.000 2.017 220 L HA -0.133 4.207 4.340 0.001 0.000 0.208 220 L C 2.143 178.998 176.870 -0.024 0.000 1.073 220 L CA 1.797 56.626 54.840 -0.018 0.000 0.745 220 L CB -1.287 40.762 42.059 -0.016 0.000 0.894 220 L HN -0.116 nan 8.230 nan 0.000 0.432 221 I N -0.685 119.870 120.570 -0.025 0.000 2.226 221 I HA -0.298 3.873 4.170 0.001 0.000 0.245 221 I C 2.618 178.716 176.117 -0.032 0.000 1.100 221 I CA 1.203 62.485 61.300 -0.031 0.000 1.374 221 I CB -0.370 37.615 38.000 -0.024 0.000 1.057 221 I HN 0.260 nan 8.210 nan 0.000 0.413 222 R N 0.621 121.104 120.500 -0.028 0.000 2.120 222 R HA -0.150 4.190 4.340 0.001 0.000 0.234 222 R C 2.524 178.811 176.300 -0.022 0.000 1.123 222 R CA 1.761 57.846 56.100 -0.025 0.000 0.975 222 R CB -0.491 29.790 30.300 -0.032 0.000 0.866 222 R HN 0.488 nan 8.270 nan 0.000 0.446 223 S N 0.500 116.186 115.700 -0.024 0.000 2.442 223 S HA -0.081 4.389 4.470 0.001 0.000 0.236 223 S C 1.903 176.487 174.600 -0.028 0.000 1.007 223 S CA 1.194 59.381 58.200 -0.022 0.000 0.965 223 S CB -0.178 63.010 63.200 -0.020 0.000 0.773 223 S HN 0.268 nan 8.310 nan 0.000 0.504 224 V N -1.868 118.023 119.914 -0.038 0.000 3.578 224 V HA 0.514 4.634 4.120 0.001 0.000 0.290 224 V C 0.330 176.377 176.094 -0.077 0.000 1.376 224 V CA -0.525 61.743 62.300 -0.053 0.000 1.083 224 V CB -0.644 31.145 31.823 -0.056 0.000 0.911 224 V HN 0.366 nan 8.190 nan 0.000 0.433 225 L N 1.895 123.078 121.223 -0.066 0.000 2.334 225 L HA 0.528 4.869 4.340 0.001 0.000 0.277 225 L C -2.020 174.825 176.870 -0.042 0.000 1.075 225 L CA -1.693 53.090 54.840 -0.097 0.000 0.804 225 L CB 1.374 43.412 42.059 -0.035 0.000 1.174 225 L HN 0.119 nan 8.230 nan 0.000 0.438 226 P HA 0.094 nan 4.420 nan 0.000 0.270 226 P C -0.712 176.710 177.300 0.203 0.000 1.223 226 P CA -0.418 62.720 63.100 0.062 0.000 0.785 226 P CB 0.539 32.282 31.700 0.073 0.000 0.923 227 A N 1.576 124.474 122.820 0.130 0.000 2.531 227 A HA 0.410 4.730 4.320 0.001 0.000 0.236 227 A C 1.484 179.133 177.584 0.109 0.000 1.062 227 A CA 0.839 52.933 52.037 0.096 0.000 0.760 227 A CB -1.316 17.709 19.000 0.042 0.000 0.995 227 A HN 0.894 nan 8.150 nan 0.000 0.501 228 G N 0.235 109.054 108.800 0.032 0.000 2.213 228 G HA2 -0.226 3.734 3.960 0.001 0.000 0.236 228 G HA3 -0.226 3.734 3.960 0.001 0.000 0.236 228 G C -0.163 174.603 174.900 -0.223 0.000 0.991 228 G CA 0.191 45.224 45.100 -0.111 0.000 0.629 228 G HN 0.796 nan 8.290 nan 0.000 0.517 229 W N 0.883 122.138 121.300 -0.076 0.000 2.361 229 W HA 0.703 5.363 4.660 0.001 0.000 0.309 229 W C 0.502 177.021 176.519 -0.000 0.000 1.122 229 W CA -1.249 56.048 57.345 -0.080 0.000 1.208 229 W CB 0.435 29.816 29.460 -0.132 0.000 1.246 229 W HN 0.171 nan 8.180 nan 0.000 0.490 230 F N 5.471 125.445 119.950 0.041 0.000 2.429 230 F HA 0.519 5.046 4.527 0.001 0.000 0.348 230 F C -0.400 175.446 175.800 0.077 0.000 1.109 230 F CA -0.522 57.496 58.000 0.031 0.000 1.232 230 F CB 0.414 39.407 39.000 -0.012 0.000 1.157 230 F HN 0.200 nan 8.300 nan 0.000 0.564 231 I N 5.199 125.702 120.570 -0.113 0.000 2.607 231 I HA 0.704 4.875 4.170 0.001 0.000 0.290 231 I C -1.617 174.423 176.117 -0.127 0.000 1.129 231 I CA -0.411 60.923 61.300 0.057 0.000 1.042 231 I CB 1.726 39.742 38.000 0.026 0.000 1.242 231 I HN 0.729 nan 8.210 nan 0.000 0.421 232 A N 4.866 127.771 122.820 0.141 0.000 2.449 232 A HA 0.899 5.219 4.320 0.001 0.000 0.302 232 A C -1.633 176.023 177.584 0.120 0.000 1.048 232 A CA -0.132 51.975 52.037 0.117 0.000 0.708 232 A CB 1.348 20.518 19.000 0.284 0.000 1.274 232 A HN 0.881 nan 8.150 nan 0.000 0.410 233 D N -0.264 120.182 120.400 0.076 0.000 2.710 233 D HA 0.596 5.237 4.640 0.001 0.000 0.276 233 D C -1.105 175.218 176.300 0.038 0.000 1.267 233 D CA -0.599 53.434 54.000 0.056 0.000 0.772 233 D CB 1.013 41.833 40.800 0.032 0.000 1.299 233 D HN 0.433 nan 8.370 nan 0.000 0.421 234 K N 0.201 120.614 120.400 0.021 0.000 2.535 234 K HA 0.618 4.939 4.320 0.001 0.000 0.250 234 K C -1.330 175.267 176.600 -0.006 0.000 0.948 234 K CA -0.271 56.019 56.287 0.005 0.000 0.796 234 K CB 1.805 34.305 32.500 0.000 0.000 1.216 234 K HN 0.691 nan 8.250 nan 0.000 0.432 235 T N -0.186 114.363 114.554 -0.008 0.000 2.949 235 T HA 0.941 5.291 4.350 0.001 0.000 0.287 235 T C 0.143 174.851 174.700 0.013 0.000 1.034 235 T CA -0.661 61.434 62.100 -0.009 0.000 1.018 235 T CB 1.801 70.660 68.868 -0.015 0.000 1.135 235 T HN 0.629 nan 8.240 nan 0.000 0.532 236 G N -1.035 107.785 108.800 0.033 0.000 2.623 236 G HA2 0.783 4.744 3.960 0.001 0.000 0.290 236 G HA3 0.783 4.744 3.960 0.001 0.000 0.290 236 G C -1.701 173.239 174.900 0.067 0.000 1.437 236 G CA -0.511 44.626 45.100 0.063 0.000 0.798 236 G HN 1.243 nan 8.290 nan 0.000 0.488 237 A N -1.274 121.585 122.820 0.065 0.000 2.612 237 A HA 1.031 5.352 4.320 0.001 0.000 0.293 237 A C -0.124 177.497 177.584 0.062 0.000 1.075 237 A CA 0.145 52.218 52.037 0.060 0.000 0.680 237 A CB 1.690 20.704 19.000 0.023 0.000 1.279 237 A HN 2.319 nan 8.150 nan 0.000 0.411 241 R N 0.227 120.745 120.500 0.030 0.000 3.627 241 R HA -0.250 4.091 4.340 0.001 0.000 0.281 241 R C 0.888 177.215 176.300 0.046 0.000 1.140 241 R CA 1.273 57.392 56.100 0.032 0.000 0.761 241 R CB -1.945 28.371 30.300 0.025 0.000 1.181 241 R HN 1.001 nan 8.270 nan 0.000 0.472 242 G N -1.886 106.942 108.800 0.047 0.000 2.179 242 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 242 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 242 G C 0.383 175.332 174.900 0.082 0.000 0.977 242 G CA 0.228 45.363 45.100 0.058 0.000 0.641 242 G HN 0.995 nan 8.290 nan 0.000 0.533 243 A N -0.400 122.473 122.820 0.089 0.000 2.567 243 A HA 0.594 4.914 4.320 0.001 0.000 0.240 243 A C 0.663 178.321 177.584 0.124 0.000 1.053 243 A CA 1.668 53.781 52.037 0.127 0.000 0.755 243 A CB 0.241 19.309 19.000 0.113 0.000 0.978 243 A HN 1.314 nan 8.150 nan 0.000 0.507 244 R N 0.645 121.242 120.500 0.162 0.000 2.643 244 R HA 0.660 5.001 4.340 0.001 0.000 0.269 244 R C -0.486 175.910 176.300 0.159 0.000 1.037 244 R CA 0.487 56.660 56.100 0.121 0.000 0.894 244 R CB 1.955 32.298 30.300 0.072 0.000 1.238 244 R HN 1.415 nan 8.270 nan 0.000 0.459 245 G N 2.280 111.133 108.800 0.088 0.000 2.720 245 G HA2 0.608 4.568 3.960 0.001 0.000 0.295 245 G HA3 0.608 4.568 3.960 0.001 0.000 0.295 245 G C -1.831 172.975 174.900 -0.157 0.000 1.437 245 G CA -0.539 44.527 45.100 -0.056 0.000 0.886 245 G HN 0.632 nan 8.290 nan 0.000 0.509 246 I N 0.925 121.293 120.570 -0.337 0.000 2.644 246 I HA 0.623 4.794 4.170 0.001 0.000 0.291 246 I C -1.057 174.916 176.117 -0.240 0.000 1.180 246 I CA -1.146 60.035 61.300 -0.199 0.000 1.040 246 I CB 2.192 40.121 38.000 -0.118 0.000 1.255 246 I HN 0.572 nan 8.210 nan 0.000 0.422 247 V N 4.355 124.199 119.914 -0.117 0.000 2.448 247 V HA 1.038 5.159 4.120 0.001 0.000 0.295 247 V C -0.335 175.761 176.094 0.002 0.000 1.025 247 V CA -0.038 62.226 62.300 -0.060 0.000 0.859 247 V CB 0.815 32.640 31.823 0.003 0.000 0.988 247 V HN 0.942 nan 8.190 nan 0.000 0.431 248 A N 4.938 127.775 122.820 0.028 0.000 2.594 248 A HA 0.927 5.248 4.320 0.001 0.000 0.291 248 A C -1.306 176.350 177.584 0.119 0.000 1.105 248 A CA -0.892 51.192 52.037 0.078 0.000 0.694 248 A CB 1.870 20.912 19.000 0.071 0.000 1.291 248 A HN 0.984 nan 8.150 nan 0.000 0.410 249 L N 0.865 122.198 121.223 0.184 0.000 2.341 249 L HA 0.770 5.111 4.340 0.001 0.000 0.278 249 L C -1.064 175.987 176.870 0.302 0.000 1.005 249 L CA -0.728 54.232 54.840 0.200 0.000 0.818 249 L CB 1.615 43.795 42.059 0.201 0.000 1.259 249 L HN 0.686 nan 8.230 nan 0.000 0.418 250 L N 2.222 123.605 121.223 0.267 0.000 2.434 250 L HA 1.006 5.347 4.340 0.001 0.000 0.260 250 L C -0.603 176.440 176.870 0.289 0.000 0.983 250 L CA 0.127 55.170 54.840 0.338 0.000 0.820 250 L CB 2.420 44.683 42.059 0.340 0.000 1.361 250 L HN 0.627 nan 8.230 nan 0.000 0.410 251 G N 2.938 111.842 108.800 0.173 0.000 2.411 251 G HA2 0.482 4.443 3.960 0.001 0.000 0.295 251 G HA3 0.482 4.443 3.960 0.001 0.000 0.295 251 G C -3.477 171.032 174.900 -0.652 0.000 1.542 251 G CA -0.577 44.401 45.100 -0.203 0.000 0.814 251 G HN 0.486 nan 8.290 nan 0.000 0.557 255 N N 0.964 119.581 118.700 -0.138 0.000 2.721 255 N HA -0.213 4.528 4.740 0.001 0.000 0.249 255 N C -0.202 175.386 175.510 0.131 0.000 1.072 255 N CA 1.253 54.332 53.050 0.048 0.000 0.710 255 N CB -0.485 38.024 38.487 0.037 0.000 0.993 255 N HN 0.579 nan 8.380 nan 0.000 0.547 256 K N 0.036 120.414 120.400 -0.037 0.000 2.316 256 K HA 0.588 4.909 4.320 0.001 0.000 0.251 256 K C -0.333 175.947 176.600 -0.533 0.000 0.934 256 K CA -0.488 55.670 56.287 -0.215 0.000 0.802 256 K CB 1.245 33.651 32.500 -0.157 0.000 1.171 256 K HN 0.033 nan 8.250 nan 0.000 0.426 257 A N 3.717 125.933 122.820 -1.007 0.000 3.026 257 A HA 0.049 4.369 4.320 0.001 0.000 0.272 257 A C 0.897 178.280 177.584 -0.335 0.000 1.782 257 A CA -0.030 51.399 52.037 -1.013 0.000 1.451 257 A CB -0.540 17.806 19.000 -1.090 0.000 1.081 257 A HN 1.029 nan 8.150 nan 0.000 0.611 258 E N 1.248 121.371 120.200 -0.128 0.000 2.072 258 E HA -0.065 4.286 4.350 0.001 0.000 0.190 258 E C 0.546 177.210 176.600 0.107 0.000 0.982 258 E CA 0.801 57.232 56.400 0.052 0.000 0.803 258 E CB 0.155 29.994 29.700 0.232 0.000 0.755 258 E HN 0.726 nan 8.360 nan 0.000 0.453 259 R N -0.117 120.500 120.500 0.194 0.000 2.795 259 R HA 0.485 4.826 4.340 0.001 0.000 0.275 259 R C -0.863 175.514 176.300 0.129 0.000 0.981 259 R CA -0.783 55.404 56.100 0.147 0.000 0.917 259 R CB 1.855 32.251 30.300 0.159 0.000 1.202 259 R HN -0.002 nan 8.270 nan 0.000 0.469 260 I N 1.887 122.504 120.570 0.078 0.000 2.353 260 I HA 0.289 4.460 4.170 0.001 0.000 0.293 260 I C -0.526 175.634 176.117 0.072 0.000 0.992 260 I CA -0.725 60.618 61.300 0.073 0.000 1.268 260 I CB 1.706 39.736 38.000 0.050 0.000 1.387 260 I HN 0.153 nan 8.210 nan 0.000 0.478 261 V N 7.339 127.297 119.914 0.073 0.000 2.483 261 V HA 0.394 4.515 4.120 0.001 0.000 0.297 261 V C -0.348 175.743 176.094 -0.005 0.000 1.027 261 V CA -0.637 61.692 62.300 0.048 0.000 0.855 261 V CB 2.090 33.963 31.823 0.083 0.000 0.995 261 V HN 0.362 nan 8.190 nan 0.000 0.424 262 V N 6.606 126.497 119.914 -0.038 0.000 2.444 262 V HA 0.586 4.707 4.120 0.001 0.000 0.294 262 V C -0.416 175.560 176.094 -0.196 0.000 1.022 262 V CA -0.351 61.872 62.300 -0.128 0.000 0.850 262 V CB 1.839 33.633 31.823 -0.050 0.000 0.992 262 V HN 0.710 nan 8.190 nan 0.000 0.426 263 I N 5.202 125.560 120.570 -0.354 0.000 2.499 263 I HA 0.528 4.698 4.170 0.001 0.000 0.288 263 I C -1.357 174.439 176.117 -0.534 0.000 1.048 263 I CA -0.533 60.576 61.300 -0.319 0.000 1.062 263 I CB 2.111 40.003 38.000 -0.179 0.000 1.238 263 I HN 0.490 nan 8.210 nan 0.000 0.426 264 Y N 5.723 125.848 120.300 -0.292 0.000 2.499 264 Y HA 0.694 5.244 4.550 0.001 0.000 0.347 264 Y C -0.485 175.264 175.900 -0.252 0.000 0.987 264 Y CA -0.826 57.097 58.100 -0.295 0.000 1.044 264 Y CB 2.238 40.418 38.460 -0.466 0.000 1.245 264 Y HN 0.253 nan 8.280 nan 0.000 0.461 265 L N 3.555 124.890 121.223 0.187 0.000 2.381 265 L HA 0.773 5.113 4.340 0.001 0.000 0.268 265 L C -0.800 176.287 176.870 0.361 0.000 0.997 265 L CA -1.011 53.974 54.840 0.241 0.000 0.818 265 L CB 2.503 44.647 42.059 0.142 0.000 1.310 265 L HN 0.699 nan 8.230 nan 0.000 0.416 266 R N 0.198 120.921 120.500 0.372 0.000 2.707 266 R HA 0.421 4.762 4.340 0.001 0.000 0.272 266 R C -1.434 174.950 176.300 0.140 0.000 1.011 266 R CA -0.808 55.436 56.100 0.239 0.000 0.893 266 R CB 1.594 32.011 30.300 0.194 0.000 1.233 266 R HN 0.595 nan 8.270 nan 0.000 0.464 267 D N 0.477 120.926 120.400 0.082 0.000 2.697 267 D HA -0.167 4.474 4.640 0.001 0.000 0.238 267 D C -0.978 175.358 176.300 0.060 0.000 1.152 267 D CA 1.959 55.990 54.000 0.052 0.000 0.666 267 D CB -0.653 40.162 40.800 0.025 0.000 1.037 267 D HN 0.653 nan 8.370 nan 0.000 0.423 268 T N -0.726 113.867 114.554 0.065 0.000 2.861 268 T HA 0.499 4.850 4.350 0.001 0.000 0.287 268 T C -2.079 172.647 174.700 0.043 0.000 1.003 268 T CA -1.682 60.452 62.100 0.057 0.000 0.977 268 T CB 2.411 71.319 68.868 0.066 0.000 0.996 268 T HN -0.211 nan 8.240 nan 0.000 0.448 269 P HA 0.277 nan 4.420 nan 0.000 0.255 269 P C 0.365 177.680 177.300 0.024 0.000 1.248 269 P CA -0.186 62.929 63.100 0.026 0.000 0.807 269 P CB -0.119 31.594 31.700 0.021 0.000 1.150 270 A N 1.249 124.086 122.820 0.027 0.000 2.483 270 A HA 0.330 4.651 4.320 0.001 0.000 0.238 270 A C 0.926 178.521 177.584 0.019 0.000 1.070 270 A CA -0.032 52.018 52.037 0.022 0.000 0.770 270 A CB -0.188 18.826 19.000 0.024 0.000 1.008 270 A HN 0.352 nan 8.150 nan 0.000 0.497 271 S N 1.940 117.648 115.700 0.013 0.000 2.576 271 S HA 0.121 4.592 4.470 0.001 0.000 0.272 271 S C 1.021 175.627 174.600 0.009 0.000 1.352 271 S CA 0.445 58.651 58.200 0.010 0.000 1.021 271 S CB 0.193 63.396 63.200 0.006 0.000 0.887 271 S HN 0.884 nan 8.310 nan 0.000 0.542 272 M N 2.489 122.093 119.600 0.007 0.000 2.149 272 M HA -0.005 4.475 4.480 0.001 0.000 0.261 272 M C 2.066 178.366 176.300 0.001 0.000 1.064 272 M CA 2.115 57.417 55.300 0.004 0.000 1.102 272 M CB -1.410 31.189 32.600 -0.001 0.000 1.369 272 M HN 0.933 nan 8.290 nan 0.000 0.408 273 A N -0.454 122.365 122.820 -0.001 0.000 1.902 273 A HA -0.200 4.120 4.320 0.001 0.000 0.217 273 A C 2.048 179.629 177.584 -0.004 0.000 1.181 273 A CA 2.090 54.125 52.037 -0.004 0.000 0.623 273 A CB -0.844 18.153 19.000 -0.005 0.000 0.818 273 A HN 0.684 nan 8.150 nan 0.000 0.443 274 E N -0.849 119.350 120.200 -0.001 0.000 2.152 274 E HA -0.115 4.235 4.350 0.001 0.000 0.192 274 E C 2.293 178.893 176.600 0.001 0.000 0.983 274 E CA 0.799 57.199 56.400 -0.001 0.000 0.818 274 E CB -0.065 29.637 29.700 0.003 0.000 0.758 274 E HN 0.527 nan 8.360 nan 0.000 0.467 275 R N 0.712 121.216 120.500 0.006 0.000 2.075 275 R HA -0.064 4.276 4.340 0.001 0.000 0.232 275 R C 2.014 178.313 176.300 -0.002 0.000 1.126 275 R CA 1.222 57.328 56.100 0.010 0.000 0.963 275 R CB -0.092 30.221 30.300 0.021 0.000 0.858 275 R HN 0.084 nan 8.270 nan 0.000 0.435 276 N N 0.673 119.369 118.700 -0.006 0.000 2.120 276 N HA -0.165 4.575 4.740 0.001 0.000 0.188 276 N C 1.672 177.169 175.510 -0.020 0.000 1.024 276 N CA 1.290 54.331 53.050 -0.015 0.000 0.852 276 N CB -0.158 38.320 38.487 -0.015 0.000 1.003 276 N HN 0.320 nan 8.380 nan 0.000 0.424 277 Q N 0.233 120.022 119.800 -0.018 0.000 2.084 277 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 277 Q C 1.892 177.877 176.000 -0.026 0.000 0.978 277 Q CA 1.048 56.837 55.803 -0.022 0.000 0.844 277 Q CB 0.034 28.761 28.738 -0.018 0.000 0.898 277 Q HN 0.333 nan 8.270 nan 0.000 0.426 278 Q N 0.207 119.994 119.800 -0.021 0.000 2.079 278 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 278 Q C 2.120 178.100 176.000 -0.034 0.000 0.974 278 Q CA 1.134 56.922 55.803 -0.025 0.000 0.840 278 Q CB -0.130 28.599 28.738 -0.016 0.000 0.898 278 Q HN 0.478 nan 8.270 nan 0.000 0.430 279 I N 0.612 121.164 120.570 -0.032 0.000 2.226 279 I HA -0.254 3.917 4.170 0.001 0.000 0.245 279 I C 2.298 178.388 176.117 -0.045 0.000 1.100 279 I CA 1.024 62.300 61.300 -0.041 0.000 1.374 279 I CB -0.403 37.572 38.000 -0.041 0.000 1.057 279 I HN 0.058 nan 8.210 nan 0.000 0.413 280 A N 0.901 123.694 122.820 -0.045 0.000 1.933 280 A HA -0.133 4.188 4.320 0.001 0.000 0.218 280 A C 2.427 179.975 177.584 -0.060 0.000 1.175 280 A CA 1.862 53.866 52.037 -0.055 0.000 0.628 280 A CB -1.373 17.596 19.000 -0.052 0.000 0.814 280 A HN 0.470 nan 8.150 nan 0.000 0.444 281 G N -0.023 108.747 108.800 -0.050 0.000 2.422 281 G HA2 -0.176 3.784 3.960 0.001 0.000 0.218 281 G HA3 -0.176 3.784 3.960 0.001 0.000 0.218 281 G C 1.501 176.373 174.900 -0.046 0.000 1.146 281 G CA 1.099 46.171 45.100 -0.047 0.000 0.769 281 G HN 0.493 nan 8.290 nan 0.000 0.547 282 I N 1.180 121.721 120.570 -0.047 0.000 2.252 282 I HA -0.062 4.109 4.170 0.001 0.000 0.245 282 I C 3.058 179.159 176.117 -0.028 0.000 1.102 282 I CA 0.914 62.189 61.300 -0.042 0.000 1.385 282 I CB -0.388 37.582 38.000 -0.051 0.000 1.064 282 I HN 0.242 nan 8.210 nan 0.000 0.414 283 G N 0.568 109.342 108.800 -0.044 0.000 2.418 283 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 283 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 283 G C 1.872 176.706 174.900 -0.111 0.000 1.158 283 G CA 0.813 45.876 45.100 -0.061 0.000 0.771 283 G HN 0.482 nan 8.290 nan 0.000 0.545 284 A N 1.177 123.930 122.820 -0.112 0.000 1.902 284 A HA 0.251 4.571 4.320 0.001 0.000 0.217 284 A C 2.810 180.341 177.584 -0.088 0.000 1.181 284 A CA 2.260 54.214 52.037 -0.138 0.000 0.623 284 A CB -0.757 18.182 19.000 -0.102 0.000 0.818 284 A HN 0.781 nan 8.150 nan 0.000 0.443 285 A N -0.257 122.561 122.820 -0.004 0.000 1.902 285 A HA -0.020 4.301 4.320 0.001 0.000 0.217 285 A C 2.165 179.850 177.584 0.169 0.000 1.181 285 A CA 1.449 53.561 52.037 0.126 0.000 0.623 285 A CB -0.576 18.484 19.000 0.100 0.000 0.818 285 A HN 0.477 nan 8.150 nan 0.000 0.443 286 L N -0.604 120.685 121.223 0.109 0.000 2.017 286 L HA -0.186 4.155 4.340 0.001 0.000 0.208 286 L C 2.508 179.556 176.870 0.295 0.000 1.073 286 L CA 1.346 56.321 54.840 0.226 0.000 0.745 286 L CB -0.570 41.650 42.059 0.269 0.000 0.894 286 L HN 0.369 nan 8.230 nan 0.000 0.432 287 I N -0.189 120.350 120.570 -0.052 0.000 2.163 287 I HA -0.288 3.883 4.170 0.001 0.000 0.243 287 I C 2.368 178.422 176.117 -0.105 0.000 1.085 287 I CA 1.494 62.564 61.300 -0.384 0.000 1.347 287 I CB -0.308 37.191 38.000 -0.836 0.000 1.044 287 I HN 0.305 nan 8.210 nan 0.000 0.408 288 E N -0.346 119.725 120.200 -0.215 0.000 2.274 288 E HA -0.115 4.235 4.350 0.001 0.000 0.194 288 E C 0.230 176.480 176.600 -0.584 0.000 0.996 288 E CA 0.709 56.863 56.400 -0.411 0.000 0.840 288 E CB 0.096 29.434 29.700 -0.604 0.000 0.772 288 E HN 0.591 nan 8.360 nan 0.000 0.491 289 H N -1.414 117.752 119.070 0.160 0.000 2.535 289 H HA 0.026 4.583 4.556 0.001 0.000 0.232 289 H C 0.056 175.519 175.328 0.225 0.000 1.405 289 H CA -0.393 55.746 56.048 0.152 0.000 1.224 289 H CB -0.475 29.331 29.762 0.073 0.000 1.763 289 H HN 0.302 nan 8.280 nan 0.000 0.529 290 W N 1.686 123.073 121.300 0.145 0.000 2.418 290 W HA -0.042 4.618 4.660 0.001 0.000 0.292 290 W C 0.043 176.636 176.519 0.122 0.000 1.213 290 W CA 0.766 58.216 57.345 0.176 0.000 1.283 290 W CB 0.559 30.192 29.460 0.288 0.000 1.119 290 W HN 0.239 nan 8.180 nan 0.000 0.542 291 Q N 2.260 122.173 119.800 0.187 0.000 2.837 291 Q HA 0.170 4.511 4.340 0.001 0.000 0.235 291 Q C -0.464 175.535 176.000 -0.002 0.000 1.348 291 Q CA 0.669 56.507 55.803 0.058 0.000 0.990 291 Q CB 0.197 29.005 28.738 0.117 0.000 1.570 291 Q HN 0.294 nan 8.270 nan 0.000 0.575 292 R N 0.000 120.447 120.500 -0.088 0.000 2.786 292 R HA 0.000 4.341 4.340 0.001 0.000 0.208 292 R CA 0.000 56.059 56.100 -0.069 0.000 0.921 292 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 292 R HN 0.000 nan 8.270 nan 0.000 0.535