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 2ob3_1_B DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIXVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPYSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWTF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.275 176.300 -0.042 0.000 2.045 35 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 35 D CB 0.000 40.782 40.800 -0.029 0.000 0.688 36 R N 0.456 120.927 120.500 -0.049 0.000 2.740 36 R HA 0.618 4.993 4.340 0.057 0.000 0.273 36 R C -0.726 175.534 176.300 -0.067 0.000 0.998 36 R CA -0.616 55.450 56.100 -0.058 0.000 0.900 36 R CB 1.987 32.255 30.300 -0.052 0.000 1.223 36 R HN 0.010 nan 8.270 nan 0.000 0.466 37 I N 1.884 122.406 120.570 -0.079 0.000 2.404 37 I HA 0.238 4.443 4.170 0.057 0.000 0.293 37 I C -0.015 176.053 176.117 -0.081 0.000 0.992 37 I CA -0.859 60.391 61.300 -0.085 0.000 1.149 37 I CB 1.483 39.429 38.000 -0.090 0.000 1.315 37 I HN 0.197 nan 8.210 nan 0.000 0.446 38 N N 4.405 123.062 118.700 -0.073 0.000 2.497 38 N HA 0.251 5.026 4.740 0.057 0.000 0.271 38 N C -0.121 175.357 175.510 -0.053 0.000 1.142 38 N CA 0.054 53.068 53.050 -0.061 0.000 0.965 38 N CB 1.346 39.799 38.487 -0.058 0.000 1.077 38 N HN 0.707 nan 8.380 nan 0.000 0.462 39 T N -3.157 111.374 114.554 -0.038 0.000 2.910 39 T HA 0.322 4.706 4.350 0.057 0.000 0.287 39 T C 1.309 176.009 174.700 -0.001 0.000 1.050 39 T CA -0.794 61.299 62.100 -0.011 0.000 1.011 39 T CB 0.745 69.622 68.868 0.015 0.000 1.195 39 T HN 0.121 nan 8.240 nan 0.000 0.540 40 V N -1.007 118.916 119.914 0.015 0.000 3.141 40 V HA 0.215 4.370 4.120 0.057 0.000 0.265 40 V C 1.507 177.610 176.094 0.015 0.000 1.126 40 V CA 0.713 63.019 62.300 0.011 0.000 1.141 40 V CB -1.239 30.593 31.823 0.015 0.000 0.743 40 V HN 0.810 nan 8.190 nan 0.000 0.492 41 R N 1.132 121.650 120.500 0.030 0.000 2.552 41 R HA 0.555 4.930 4.340 0.057 0.000 0.314 41 R C 0.900 177.212 176.300 0.020 0.000 1.041 41 R CA 0.435 56.554 56.100 0.031 0.000 1.076 41 R CB 0.542 30.876 30.300 0.056 0.000 1.290 41 R HN 0.718 nan 8.270 nan 0.000 0.563 42 G N 1.709 110.510 108.800 0.001 0.000 2.610 42 G HA2 -0.184 3.810 3.960 0.057 0.000 0.304 42 G HA3 -0.184 3.810 3.960 0.057 0.000 0.304 42 G C -2.902 171.982 174.900 -0.026 0.000 1.309 42 G CA -1.311 43.780 45.100 -0.015 0.000 0.906 42 G HN -0.047 nan 8.290 nan 0.000 0.521 43 P HA 0.529 nan 4.420 nan 0.000 0.271 43 P C 0.126 177.387 177.300 -0.065 0.000 1.216 43 P CA -0.036 63.033 63.100 -0.051 0.000 0.776 43 P CB 0.673 32.347 31.700 -0.043 0.000 0.881 44 I N -1.429 119.079 120.570 -0.102 0.000 2.892 44 I HA 0.694 4.898 4.170 0.057 0.000 0.306 44 I C -0.067 175.981 176.117 -0.115 0.000 1.078 44 I CA -0.978 60.236 61.300 -0.143 0.000 1.032 44 I CB 2.419 40.225 38.000 -0.322 0.000 1.229 44 I HN 0.251 nan 8.210 nan 0.000 0.435 45 T N 0.700 115.196 114.554 -0.096 0.000 2.847 45 T HA 0.374 4.758 4.350 0.057 0.000 0.279 45 T C 0.957 175.614 174.700 -0.071 0.000 0.984 45 T CA -0.440 61.620 62.100 -0.067 0.000 0.988 45 T CB 1.382 70.226 68.868 -0.040 0.000 1.040 45 T HN 0.552 nan 8.240 nan 0.000 0.528 46 I N 1.192 121.733 120.570 -0.048 0.000 2.264 46 I HA -0.155 4.050 4.170 0.057 0.000 0.248 46 I C 2.847 178.951 176.117 -0.022 0.000 1.111 46 I CA 1.530 62.809 61.300 -0.036 0.000 1.382 46 I CB -0.818 37.167 38.000 -0.025 0.000 1.060 46 I HN 0.754 nan 8.210 nan 0.000 0.418 47 S N -0.243 115.449 115.700 -0.014 0.000 2.383 47 S HA -0.184 4.320 4.470 0.057 0.000 0.227 47 S C 1.894 176.505 174.600 0.019 0.000 1.026 47 S CA 1.127 59.330 58.200 0.006 0.000 0.981 47 S CB -0.362 62.842 63.200 0.008 0.000 0.818 47 S HN 0.516 nan 8.310 nan 0.000 0.472 48 E N 1.362 121.562 120.200 0.001 0.000 2.153 48 E HA -0.108 4.276 4.350 0.057 0.000 0.194 48 E C 2.307 178.919 176.600 0.021 0.000 0.988 48 E CA 0.916 57.329 56.400 0.022 0.000 0.811 48 E CB -0.251 29.416 29.700 -0.056 0.000 0.746 48 E HN 0.534 nan 8.360 nan 0.000 0.466 49 A N 1.208 124.002 122.820 -0.044 0.000 1.902 49 A HA 0.022 4.376 4.320 0.057 0.000 0.217 49 A C 1.611 179.266 177.584 0.119 0.000 1.181 49 A CA 1.462 53.499 52.037 0.000 0.000 0.623 49 A CB -1.100 17.886 19.000 -0.023 0.000 0.818 49 A HN 0.368 nan 8.150 nan 0.000 0.443 50 G N -1.370 107.489 108.800 0.098 0.000 2.578 50 G HA2 -0.240 3.754 3.960 0.057 0.000 0.275 50 G HA3 -0.240 3.754 3.960 0.057 0.000 0.275 50 G C 0.019 175.021 174.900 0.170 0.000 1.271 50 G CA 0.088 45.269 45.100 0.134 0.000 0.941 50 G HN 1.176 nan 8.290 nan 0.000 0.564 51 F N 2.556 122.535 119.950 0.048 0.000 2.571 51 F HA 0.503 5.064 4.527 0.056 0.000 0.384 51 F C 0.866 176.700 175.800 0.056 0.000 1.058 51 F CA 0.715 58.741 58.000 0.043 0.000 1.200 51 F CB 0.391 39.411 39.000 0.033 0.000 1.077 51 F HN 0.461 nan 8.300 nan 0.000 0.558 52 T N 7.944 122.618 114.554 0.200 0.000 2.841 52 T HA 0.444 4.829 4.350 0.057 0.000 0.285 52 T C -0.393 174.407 174.700 0.166 0.000 0.991 52 T CA -0.618 61.595 62.100 0.188 0.000 0.966 52 T CB 1.046 69.972 68.868 0.096 0.000 0.962 52 T HN 0.398 nan 8.240 nan 0.000 0.438 53 L N 3.590 124.948 121.223 0.225 0.000 2.260 53 L HA 0.314 4.688 4.340 0.057 0.000 0.289 53 L C 1.727 178.675 176.870 0.131 0.000 1.057 53 L CA -0.504 54.450 54.840 0.190 0.000 0.811 53 L CB 0.935 43.125 42.059 0.218 0.000 1.184 53 L HN 0.851 nan 8.230 nan 0.000 0.429 54 T N -1.997 112.621 114.554 0.106 0.000 3.107 54 T HA 0.001 4.385 4.350 0.057 0.000 0.249 54 T C 0.409 175.174 174.700 0.109 0.000 1.096 54 T CA 0.239 62.397 62.100 0.095 0.000 1.012 54 T CB -0.286 68.617 68.868 0.059 0.000 0.977 54 T HN 0.609 nan 8.240 nan 0.000 0.527 55 H N 0.550 119.629 119.070 0.014 0.000 3.162 55 H HA 0.467 5.057 4.556 0.057 0.000 0.309 55 H C -1.132 174.181 175.328 -0.026 0.000 1.156 55 H CA -0.526 55.506 56.048 -0.026 0.000 1.586 55 H CB 0.620 30.381 29.762 -0.002 0.000 1.740 55 H HN 0.043 nan 8.280 nan 0.000 0.525 56 E N 2.516 122.658 120.200 -0.096 0.000 2.456 56 E HA 0.369 4.754 4.350 0.057 0.000 0.276 56 E C -0.907 175.406 176.600 -0.478 0.000 0.981 56 E CA -0.907 55.454 56.400 -0.065 0.000 0.814 56 E CB 2.143 31.876 29.700 0.055 0.000 1.382 56 E HN 0.593 nan 8.360 nan 0.000 0.459 57 H N 0.338 119.388 119.070 -0.033 0.000 2.930 57 H HA 0.321 4.912 4.556 0.058 0.000 0.371 57 H C 0.876 176.164 175.328 -0.067 0.000 1.169 57 H CA -0.571 55.414 56.048 -0.103 0.000 1.157 57 H CB 1.848 31.484 29.762 -0.210 0.000 1.789 57 H HN 0.265 nan 8.280 nan 0.000 0.547 58 I N 0.335 120.971 120.570 0.111 0.000 2.339 58 I HA -0.062 4.142 4.170 0.057 0.000 0.245 58 I C 1.194 177.381 176.117 0.117 0.000 1.096 58 I CA 1.040 62.464 61.300 0.206 0.000 1.408 58 I CB -0.027 38.073 38.000 0.167 0.000 1.092 58 I HN 0.334 nan 8.210 nan 0.000 0.423 59 C N 0.998 120.301 119.300 0.005 0.000 2.551 59 C HA 0.735 5.230 4.460 0.057 0.000 0.332 59 C C 0.316 175.197 174.990 -0.181 0.000 1.139 59 C CA -0.598 58.372 59.018 -0.080 0.000 1.328 59 C CB 0.494 28.145 27.740 -0.148 0.000 1.903 59 C HN 0.522 nan 8.230 nan 0.000 0.459 60 G N 4.023 112.638 108.800 -0.309 0.000 2.475 60 G HA2 0.539 4.534 3.960 0.057 0.000 0.322 60 G HA3 0.539 4.534 3.960 0.057 0.000 0.322 60 G C -0.115 174.604 174.900 -0.301 0.000 1.044 60 G CA 0.293 45.058 45.100 -0.559 0.000 1.047 60 G HN 1.021 nan 8.290 nan 0.000 0.436 61 S N 1.268 116.806 115.700 -0.270 0.000 3.642 61 S HA 0.846 5.350 4.470 0.057 0.000 0.312 61 S C -0.198 174.273 174.600 -0.214 0.000 1.117 61 S CA -0.370 57.733 58.200 -0.162 0.000 1.104 61 S CB 1.200 64.427 63.200 0.045 0.000 1.397 61 S HN 0.572 nan 8.310 nan 0.000 0.756 62 S N 0.437 116.047 115.700 -0.151 0.000 2.595 62 S HA 0.774 5.278 4.470 0.057 0.000 0.281 62 S C -0.754 173.800 174.600 -0.077 0.000 1.117 62 S CA -0.275 57.856 58.200 -0.115 0.000 0.873 62 S CB 1.451 64.584 63.200 -0.111 0.000 1.108 62 S HN 1.068 nan 8.310 nan 0.000 0.477 63 A N 0.650 123.343 122.820 -0.211 0.000 2.567 63 A HA 0.481 4.835 4.320 0.057 0.000 0.240 63 A C 1.546 179.086 177.584 -0.074 0.000 1.053 63 A CA 0.729 52.558 52.037 -0.347 0.000 0.755 63 A CB -1.261 17.248 19.000 -0.819 0.000 0.978 63 A HN 2.084 nan 8.150 nan 0.000 0.507 64 G N 1.342 110.132 108.800 -0.017 0.000 2.234 64 G HA2 -0.372 3.623 3.960 0.057 0.000 0.260 64 G HA3 -0.372 3.623 3.960 0.057 0.000 0.260 64 G C 0.854 175.840 174.900 0.143 0.000 0.987 64 G CA 1.055 46.196 45.100 0.069 0.000 0.625 64 G HN 1.250 nan 8.290 nan 0.000 0.532 65 F N 0.745 120.718 119.950 0.039 0.000 2.128 65 F HA 0.262 4.804 4.527 0.024 0.000 0.295 65 F C 2.423 178.341 175.800 0.198 0.000 1.100 65 F CA 1.985 60.055 58.000 0.116 0.000 1.260 65 F CB -0.209 38.830 39.000 0.065 0.000 1.009 65 F HN 0.209 nan 8.300 nan 0.000 0.476 66 L N 0.889 122.304 121.223 0.321 0.000 2.079 66 L HA -0.162 4.212 4.340 0.057 0.000 0.210 66 L C 2.292 179.230 176.870 0.113 0.000 1.081 66 L CA 1.718 56.689 54.840 0.218 0.000 0.752 66 L CB -0.735 41.334 42.059 0.018 0.000 0.896 66 L HN -0.004 nan 8.230 nan 0.000 0.433 67 R N -0.364 120.183 120.500 0.078 0.000 2.119 67 R HA 0.122 4.496 4.340 0.057 0.000 0.222 67 R C 2.086 178.414 176.300 0.047 0.000 1.088 67 R CA 1.119 57.253 56.100 0.057 0.000 0.984 67 R CB -0.920 29.409 30.300 0.049 0.000 0.884 67 R HN 0.509 nan 8.270 nan 0.000 0.447 68 A N -0.963 121.872 122.820 0.025 0.000 2.021 68 A HA -0.046 4.308 4.320 0.057 0.000 0.216 68 A C 0.570 178.164 177.584 0.016 0.000 1.163 68 A CA 0.411 52.445 52.037 -0.005 0.000 0.676 68 A CB -0.010 18.977 19.000 -0.022 0.000 0.818 68 A HN 0.395 nan 8.150 nan 0.000 0.453 69 W N 0.930 122.061 121.300 -0.280 0.000 1.290 69 W HA 0.370 5.051 4.660 0.035 0.000 0.304 69 W C -2.598 173.881 176.519 -0.066 0.000 0.858 69 W CA -2.195 54.977 57.345 -0.289 0.000 1.894 69 W CB 0.956 30.039 29.460 -0.628 0.000 1.934 69 W HN 0.140 nan 8.180 nan 0.000 0.472 70 P HA -0.175 nan 4.420 nan 0.000 0.220 70 P C 0.809 178.318 177.300 0.348 0.000 1.148 70 P CA 1.672 64.977 63.100 0.343 0.000 0.803 70 P CB 0.486 32.308 31.700 0.203 0.000 0.782 71 E N -0.832 119.551 120.200 0.305 0.000 2.338 71 E HA -0.118 4.267 4.350 0.057 0.000 0.197 71 E C 1.597 178.226 176.600 0.049 0.000 1.007 71 E CA 0.454 56.983 56.400 0.215 0.000 0.849 71 E CB -1.252 28.603 29.700 0.258 0.000 0.774 71 E HN 0.263 nan 8.360 nan 0.000 0.506 72 F N -0.011 119.729 119.950 -0.349 0.000 2.154 72 F HA -0.191 4.385 4.527 0.081 0.000 0.301 72 F C 0.996 176.465 175.800 -0.551 0.000 1.087 72 F CA 1.237 58.794 58.000 -0.738 0.000 1.274 72 F CB 0.022 38.275 39.000 -1.245 0.000 1.009 72 F HN -0.016 nan 8.300 nan 0.000 0.485 73 F N 0.164 120.128 119.950 0.022 0.000 2.664 73 F HA 0.349 4.902 4.527 0.044 0.000 0.301 73 F C 1.699 177.485 175.800 -0.022 0.000 1.126 73 F CA 0.480 58.494 58.000 0.024 0.000 1.373 73 F CB -0.034 39.048 39.000 0.138 0.000 1.042 73 F HN 0.197 nan 8.300 nan 0.000 0.535 74 G N 0.522 109.349 108.800 0.046 0.000 4.365 74 G HA2 -0.269 3.725 3.960 0.057 0.000 0.214 74 G HA3 -0.269 3.725 3.960 0.057 0.000 0.214 74 G C 0.285 175.243 174.900 0.097 0.000 1.450 74 G CA 0.149 45.278 45.100 0.049 0.000 0.937 74 G HN 0.836 nan 8.290 nan 0.000 0.625 75 S N -1.338 114.443 115.700 0.136 0.000 2.615 75 S HA 0.686 5.190 4.470 0.057 0.000 0.268 75 S C 0.359 175.036 174.600 0.130 0.000 1.146 75 S CA 0.593 58.871 58.200 0.129 0.000 0.818 75 S CB 1.697 64.946 63.200 0.081 0.000 1.111 75 S HN 0.877 nan 8.310 nan 0.000 0.465 76 R N 0.958 121.517 120.500 0.098 0.000 2.081 76 R HA -0.061 4.313 4.340 0.057 0.000 0.235 76 R C 2.114 178.429 176.300 0.025 0.000 1.131 76 R CA 1.776 57.903 56.100 0.045 0.000 0.960 76 R CB -0.413 29.906 30.300 0.031 0.000 0.856 76 R HN 0.759 nan 8.270 nan 0.000 0.436 77 K N -0.146 120.272 120.400 0.031 0.000 2.057 77 K HA -0.135 4.220 4.320 0.057 0.000 0.207 77 K C 1.902 178.512 176.600 0.017 0.000 1.049 77 K CA 1.466 57.763 56.287 0.017 0.000 0.931 77 K CB -0.145 32.366 32.500 0.018 0.000 0.714 77 K HN 0.250 nan 8.250 nan 0.000 0.440 78 A N 1.291 124.132 122.820 0.035 0.000 1.902 78 A HA -0.152 4.203 4.320 0.057 0.000 0.217 78 A C 2.036 179.646 177.584 0.043 0.000 1.181 78 A CA 1.325 53.386 52.037 0.040 0.000 0.623 78 A CB -0.597 18.438 19.000 0.059 0.000 0.818 78 A HN 0.390 nan 8.150 nan 0.000 0.443 79 L N -0.152 121.104 121.223 0.055 0.000 2.017 79 L HA -0.050 4.325 4.340 0.057 0.000 0.208 79 L C 2.650 179.514 176.870 -0.010 0.000 1.073 79 L CA 2.349 57.214 54.840 0.041 0.000 0.745 79 L CB -0.900 41.146 42.059 -0.022 0.000 0.894 79 L HN 0.328 nan 8.230 nan 0.000 0.432 80 A N -0.750 122.052 122.820 -0.029 0.000 1.902 80 A HA -0.235 4.119 4.320 0.057 0.000 0.217 80 A C 2.156 179.692 177.584 -0.079 0.000 1.181 80 A CA 1.870 53.874 52.037 -0.054 0.000 0.623 80 A CB -0.701 18.276 19.000 -0.038 0.000 0.818 80 A HN 0.634 nan 8.150 nan 0.000 0.443 81 E N -0.488 119.680 120.200 -0.053 0.000 2.077 81 E HA -0.221 4.163 4.350 0.057 0.000 0.193 81 E C 2.101 178.642 176.600 -0.099 0.000 0.989 81 E CA 1.410 57.773 56.400 -0.063 0.000 0.800 81 E CB -0.152 29.530 29.700 -0.030 0.000 0.746 81 E HN 0.674 nan 8.360 nan 0.000 0.452 82 K N 0.821 121.174 120.400 -0.078 0.000 2.032 82 K HA -0.184 4.171 4.320 0.057 0.000 0.209 82 K C 2.142 178.518 176.600 -0.373 0.000 1.048 82 K CA 1.334 57.565 56.287 -0.094 0.000 0.927 82 K CB -0.127 32.398 32.500 0.042 0.000 0.712 82 K HN 0.095 nan 8.250 nan 0.000 0.441 83 A N 0.542 123.069 122.820 -0.489 0.000 1.902 83 A HA -0.098 4.256 4.320 0.057 0.000 0.217 83 A C 2.240 179.392 177.584 -0.720 0.000 1.181 83 A CA 1.604 52.992 52.037 -1.083 0.000 0.623 83 A CB -0.603 18.130 19.000 -0.445 0.000 0.818 83 A HN 0.185 nan 8.150 nan 0.000 0.443 84 V N 0.017 119.724 119.914 -0.344 0.000 2.343 84 V HA -0.267 3.887 4.120 0.057 0.000 0.247 84 V C 2.638 178.613 176.094 -0.199 0.000 1.051 84 V CA 2.209 64.380 62.300 -0.215 0.000 1.036 84 V CB -0.820 30.926 31.823 -0.128 0.000 0.654 84 V HN 0.514 nan 8.190 nan 0.000 0.451 85 R N 0.035 120.420 120.500 -0.192 0.000 2.081 85 R HA -0.126 4.248 4.340 0.057 0.000 0.235 85 R C 2.469 178.701 176.300 -0.115 0.000 1.131 85 R CA 1.595 57.623 56.100 -0.120 0.000 0.960 85 R CB -0.831 29.422 30.300 -0.079 0.000 0.856 85 R HN 0.598 nan 8.270 nan 0.000 0.436 86 G N 0.823 109.494 108.800 -0.215 0.000 2.402 86 G HA2 -0.197 3.797 3.960 0.057 0.000 0.216 86 G HA3 -0.197 3.797 3.960 0.057 0.000 0.216 86 G C 1.446 176.368 174.900 0.036 0.000 1.162 86 G CA 0.309 45.395 45.100 -0.024 0.000 0.777 86 G HN 0.122 nan 8.290 nan 0.000 0.539 87 L N -0.329 120.841 121.223 -0.087 0.000 2.093 87 L HA 0.004 4.378 4.340 0.057 0.000 0.208 87 L C 3.139 179.997 176.870 -0.019 0.000 1.085 87 L CA 0.799 55.644 54.840 0.010 0.000 0.755 87 L CB -0.292 41.753 42.059 -0.024 0.000 0.904 87 L HN 0.127 nan 8.230 nan 0.000 0.435 88 R N -0.224 120.244 120.500 -0.053 0.000 2.081 88 R HA -0.126 4.249 4.340 0.057 0.000 0.235 88 R C 2.452 178.729 176.300 -0.037 0.000 1.131 88 R CA 1.245 57.317 56.100 -0.048 0.000 0.960 88 R CB -0.233 30.035 30.300 -0.053 0.000 0.856 88 R HN 0.326 nan 8.270 nan 0.000 0.436 89 R N 0.099 120.584 120.500 -0.026 0.000 2.092 89 R HA -0.057 4.318 4.340 0.057 0.000 0.231 89 R C 2.316 178.596 176.300 -0.034 0.000 1.119 89 R CA 1.289 57.375 56.100 -0.023 0.000 0.970 89 R CB -0.296 30.000 30.300 -0.007 0.000 0.864 89 R HN 0.202 nan 8.270 nan 0.000 0.440 90 A N 1.121 123.934 122.820 -0.012 0.000 1.902 90 A HA -0.175 4.179 4.320 0.057 0.000 0.217 90 A C 2.131 179.661 177.584 -0.090 0.000 1.181 90 A CA 1.184 53.198 52.037 -0.039 0.000 0.623 90 A CB -0.444 18.572 19.000 0.027 0.000 0.818 90 A HN 0.198 nan 8.150 nan 0.000 0.443 91 R N -0.438 120.024 120.500 -0.063 0.000 2.081 91 R HA -0.110 4.264 4.340 0.057 0.000 0.235 91 R C 2.288 178.535 176.300 -0.090 0.000 1.131 91 R CA 1.334 57.387 56.100 -0.078 0.000 0.960 91 R CB -0.378 29.886 30.300 -0.060 0.000 0.856 91 R HN 0.457 nan 8.270 nan 0.000 0.436 92 A N 0.446 123.222 122.820 -0.074 0.000 1.972 92 A HA -0.082 4.272 4.320 0.057 0.000 0.219 92 A C 2.112 179.642 177.584 -0.090 0.000 1.169 92 A CA 1.625 53.620 52.037 -0.069 0.000 0.635 92 A CB -0.439 18.530 19.000 -0.053 0.000 0.810 92 A HN 0.495 nan 8.150 nan 0.000 0.446 93 A N -2.262 120.486 122.820 -0.121 0.000 2.238 93 A HA 0.423 4.778 4.320 0.057 0.000 0.208 93 A C 1.685 179.119 177.584 -0.251 0.000 1.177 93 A CA 1.293 53.233 52.037 -0.160 0.000 0.804 93 A CB -0.569 18.332 19.000 -0.165 0.000 0.823 93 A HN 1.753 nan 8.150 nan 0.000 0.482 94 G N -2.062 106.581 108.800 -0.262 0.000 2.229 94 G HA2 -0.148 3.847 3.960 0.057 0.000 0.189 94 G HA3 -0.148 3.847 3.960 0.057 0.000 0.189 94 G C 0.136 174.773 174.900 -0.437 0.000 1.000 94 G CA -0.098 44.814 45.100 -0.313 0.000 0.663 94 G HN 0.628 nan 8.290 nan 0.000 0.493 95 V N 1.999 121.639 119.914 -0.455 0.000 2.655 95 V HA 0.388 4.543 4.120 0.057 0.000 0.300 95 V C 1.489 177.559 176.094 -0.039 0.000 1.044 95 V CA 0.221 62.358 62.300 -0.270 0.000 1.095 95 V CB 1.402 33.137 31.823 -0.147 0.000 0.952 95 V HN 0.327 nan 8.190 nan 0.000 0.485 96 R N 1.677 122.238 120.500 0.102 0.000 2.342 96 R HA 0.245 4.619 4.340 0.057 0.000 0.204 96 R C 0.156 176.556 176.300 0.166 0.000 0.882 96 R CA 0.326 56.492 56.100 0.109 0.000 1.041 96 R CB 0.831 31.229 30.300 0.162 0.000 1.188 96 R HN 0.695 nan 8.270 nan 0.000 0.598 97 T N 1.940 116.619 114.554 0.209 0.000 2.912 97 T HA 0.584 4.968 4.350 0.057 0.000 0.299 97 T C -0.316 174.486 174.700 0.171 0.000 1.052 97 T CA -0.614 61.614 62.100 0.212 0.000 0.996 97 T CB 2.362 71.352 68.868 0.204 0.000 1.070 97 T HN 0.153 nan 8.240 nan 0.000 0.465 98 I N -0.887 119.767 120.570 0.140 0.000 2.740 98 I HA 0.881 5.085 4.170 0.057 0.000 0.303 98 I C -1.138 175.023 176.117 0.073 0.000 1.044 98 I CA -1.299 60.070 61.300 0.116 0.000 1.064 98 I CB 1.926 39.998 38.000 0.119 0.000 1.249 98 I HN 0.282 nan 8.210 nan 0.000 0.433 99 V N 3.694 123.633 119.914 0.042 0.000 2.311 99 V HA 0.229 4.383 4.120 0.057 0.000 0.275 99 V C -0.354 175.683 176.094 -0.094 0.000 1.022 99 V CA -0.226 62.068 62.300 -0.011 0.000 0.830 99 V CB 0.823 32.649 31.823 0.005 0.000 1.012 99 V HN 0.729 nan 8.190 nan 0.000 0.452 100 D N 4.524 124.863 120.400 -0.102 0.000 2.393 100 D HA 0.110 4.784 4.640 0.057 0.000 0.232 100 D C 0.780 176.935 176.300 -0.242 0.000 1.192 100 D CA -0.242 53.651 54.000 -0.177 0.000 0.882 100 D CB 1.744 42.497 40.800 -0.078 0.000 1.038 100 D HN 0.459 nan 8.370 nan 0.000 0.499 101 V N 1.616 121.256 119.914 -0.456 0.000 3.337 101 V HA 0.236 4.391 4.120 0.057 0.000 0.343 101 V C 0.426 176.363 176.094 -0.262 0.000 1.302 101 V CA -0.591 61.471 62.300 -0.397 0.000 1.268 101 V CB -0.809 30.660 31.823 -0.590 0.000 1.185 101 V HN 0.270 nan 8.190 nan 0.000 0.447 102 S N 2.769 118.375 115.700 -0.156 0.000 2.481 102 S HA 0.391 4.895 4.470 0.057 0.000 0.276 102 S C 0.895 175.462 174.600 -0.056 0.000 1.247 102 S CA 0.241 58.406 58.200 -0.059 0.000 1.053 102 S CB 0.673 63.864 63.200 -0.016 0.000 0.925 102 S HN 0.892 nan 8.310 nan 0.000 0.491 103 T N 0.817 115.348 114.554 -0.038 0.000 2.810 103 T HA 0.346 4.730 4.350 0.057 0.000 0.277 103 T C 1.031 175.816 174.700 0.142 0.000 0.973 103 T CA -0.747 61.404 62.100 0.084 0.000 0.949 103 T CB 0.093 69.058 68.868 0.163 0.000 1.075 103 T HN 0.378 nan 8.240 nan 0.000 0.537 104 F N 2.100 122.146 119.950 0.160 0.000 2.063 104 F HA -0.251 4.323 4.527 0.078 0.000 0.298 104 F C 2.113 177.990 175.800 0.128 0.000 1.105 104 F CA 2.619 60.731 58.000 0.188 0.000 1.215 104 F CB -0.470 38.717 39.000 0.310 0.000 0.972 104 F HN 0.770 nan 8.300 nan 0.000 0.483 105 D N -0.107 120.372 120.400 0.132 0.000 2.355 105 D HA -0.110 4.564 4.640 0.057 0.000 0.218 105 D C 1.858 178.143 176.300 -0.025 0.000 1.004 105 D CA 0.807 54.833 54.000 0.045 0.000 0.880 105 D CB -0.845 40.139 40.800 0.307 0.000 0.911 105 D HN 0.496 nan 8.370 nan 0.000 0.528 106 I N 0.314 120.788 120.570 -0.161 0.000 3.684 106 I HA 0.128 4.333 4.170 0.057 0.000 0.304 106 I C 1.464 177.423 176.117 -0.263 0.000 1.278 106 I CA 0.469 61.532 61.300 -0.396 0.000 1.272 106 I CB -0.198 37.431 38.000 -0.619 0.000 1.029 106 I HN 0.157 nan 8.210 nan 0.000 0.458 107 G N 2.233 110.907 108.800 -0.210 0.000 2.147 107 G HA2 -0.324 3.671 3.960 0.057 0.000 0.244 107 G HA3 -0.324 3.671 3.960 0.057 0.000 0.244 107 G C 0.529 175.365 174.900 -0.107 0.000 1.005 107 G CA -0.075 44.929 45.100 -0.159 0.000 0.713 107 G HN 0.485 nan 8.290 nan 0.000 0.515 108 R N 0.547 120.995 120.500 -0.087 0.000 2.481 108 R HA 0.115 4.489 4.340 0.057 0.000 0.291 108 R C -0.987 175.308 176.300 -0.008 0.000 0.934 108 R CA 0.883 56.964 56.100 -0.033 0.000 1.116 108 R CB 0.186 30.492 30.300 0.010 0.000 0.895 108 R HN 0.147 nan 8.270 nan 0.000 0.410 109 D N 5.192 125.586 120.400 -0.010 0.000 2.438 109 D HA 0.044 4.718 4.640 0.057 0.000 0.257 109 D C 1.170 177.476 176.300 0.010 0.000 1.148 109 D CA -0.505 53.498 54.000 0.004 0.000 0.902 109 D CB 1.400 42.192 40.800 -0.013 0.000 1.062 109 D HN 0.372 nan 8.370 nan 0.000 0.518 110 V N 2.038 121.967 119.914 0.025 0.000 2.759 110 V HA -0.128 4.026 4.120 0.057 0.000 0.256 110 V C 1.994 178.096 176.094 0.014 0.000 1.080 110 V CA 1.850 64.162 62.300 0.019 0.000 1.101 110 V CB -0.916 30.922 31.823 0.024 0.000 0.698 110 V HN 0.469 nan 8.190 nan 0.000 0.477 111 S N 1.123 116.833 115.700 0.016 0.000 2.383 111 S HA -0.172 4.332 4.470 0.057 0.000 0.227 111 S C 1.931 176.533 174.600 0.003 0.000 1.026 111 S CA 1.612 59.819 58.200 0.010 0.000 0.981 111 S CB -0.676 62.532 63.200 0.014 0.000 0.818 111 S HN 0.566 nan 8.310 nan 0.000 0.472 112 L N 0.899 122.120 121.223 -0.003 0.000 2.017 112 L HA 0.112 4.486 4.340 0.057 0.000 0.208 112 L C 2.152 179.020 176.870 -0.004 0.000 1.073 112 L CA 1.454 56.287 54.840 -0.011 0.000 0.745 112 L CB -0.883 41.160 42.059 -0.027 0.000 0.894 112 L HN 0.248 nan 8.230 nan 0.000 0.432 113 L N 0.052 121.278 121.223 0.004 0.000 2.012 113 L HA -0.166 4.209 4.340 0.057 0.000 0.210 113 L C 2.726 179.603 176.870 0.011 0.000 1.073 113 L CA 2.080 56.929 54.840 0.014 0.000 0.748 113 L CB -1.671 40.397 42.059 0.015 0.000 0.891 113 L HN 0.360 nan 8.230 nan 0.000 0.431 114 A N -0.931 121.893 122.820 0.007 0.000 1.902 114 A HA -0.265 4.089 4.320 0.057 0.000 0.217 114 A C 2.361 179.945 177.584 -0.001 0.000 1.181 114 A CA 1.809 53.850 52.037 0.006 0.000 0.623 114 A CB -0.604 18.399 19.000 0.005 0.000 0.818 114 A HN 0.522 nan 8.150 nan 0.000 0.443 115 E N 0.174 120.371 120.200 -0.005 0.000 2.051 115 E HA -0.169 4.216 4.350 0.057 0.000 0.192 115 E C 1.988 178.577 176.600 -0.020 0.000 0.991 115 E CA 2.164 58.557 56.400 -0.012 0.000 0.799 115 E CB -0.244 29.448 29.700 -0.013 0.000 0.748 115 E HN 0.546 nan 8.360 nan 0.000 0.449 116 V N -1.002 118.900 119.914 -0.021 0.000 2.548 116 V HA -0.130 4.025 4.120 0.057 0.000 0.249 116 V C 2.371 178.447 176.094 -0.029 0.000 1.055 116 V CA 1.861 64.140 62.300 -0.036 0.000 1.065 116 V CB -0.552 31.243 31.823 -0.046 0.000 0.681 116 V HN 0.253 nan 8.190 nan 0.000 0.462 117 S N 1.137 116.831 115.700 -0.011 0.000 2.359 117 S HA -0.298 4.206 4.470 0.057 0.000 0.224 117 S C 2.257 176.840 174.600 -0.028 0.000 1.035 117 S CA 2.181 60.376 58.200 -0.010 0.000 1.018 117 S CB -0.532 62.676 63.200 0.013 0.000 0.876 117 S HN 0.724 nan 8.310 nan 0.000 0.448 118 R N 1.518 122.005 120.500 -0.021 0.000 2.073 118 R HA 0.120 4.494 4.340 0.057 0.000 0.234 118 R C 2.242 178.521 176.300 -0.035 0.000 1.134 118 R CA 2.086 58.170 56.100 -0.026 0.000 0.952 118 R CB -1.309 28.982 30.300 -0.016 0.000 0.850 118 R HN 0.401 nan 8.270 nan 0.000 0.433 119 A N -0.182 122.616 122.820 -0.037 0.000 1.969 119 A HA 0.109 4.463 4.320 0.057 0.000 0.218 119 A C 2.209 179.763 177.584 -0.050 0.000 1.169 119 A CA 1.541 53.553 52.037 -0.042 0.000 0.635 119 A CB -0.692 18.281 19.000 -0.045 0.000 0.810 119 A HN 0.502 nan 8.150 nan 0.000 0.445 120 A N -1.759 121.027 122.820 -0.057 0.000 2.195 120 A HA 0.328 4.683 4.320 0.057 0.000 0.210 120 A C 0.749 178.292 177.584 -0.068 0.000 1.165 120 A CA 1.039 53.039 52.037 -0.062 0.000 0.806 120 A CB -0.145 18.816 19.000 -0.064 0.000 0.847 120 A HN 0.491 nan 8.150 nan 0.000 0.482 121 D N -1.213 119.141 120.400 -0.078 0.000 2.716 121 D HA -0.122 4.552 4.640 0.057 0.000 0.239 121 D C -0.800 175.401 176.300 -0.165 0.000 1.125 121 D CA 0.869 54.801 54.000 -0.114 0.000 0.681 121 D CB -1.497 39.246 40.800 -0.094 0.000 1.070 121 D HN 0.192 nan 8.370 nan 0.000 0.432 122 V N 2.301 122.129 119.914 -0.143 0.000 2.487 122 V HA 0.328 4.482 4.120 0.057 0.000 0.298 122 V C 0.448 176.477 176.094 -0.108 0.000 1.028 122 V CA -0.953 61.269 62.300 -0.131 0.000 0.860 122 V CB 1.880 33.686 31.823 -0.029 0.000 0.991 122 V HN 0.216 nan 8.190 nan 0.000 0.427 123 H N 4.819 123.905 119.070 0.027 0.000 2.815 123 H HA 0.420 5.010 4.556 0.057 0.000 0.350 123 H C -0.399 174.946 175.328 0.028 0.000 1.080 123 H CA 0.385 56.447 56.048 0.023 0.000 1.433 123 H CB 1.028 30.805 29.762 0.024 0.000 1.432 123 H HN 0.438 nan 8.280 nan 0.000 0.592 124 I N 3.124 123.782 120.570 0.145 0.000 2.447 124 I HA 0.108 4.313 4.170 0.057 0.000 0.287 124 I C -0.199 175.948 176.117 0.050 0.000 1.023 124 I CA -0.826 60.524 61.300 0.083 0.000 1.083 124 I CB 2.057 40.092 38.000 0.059 0.000 1.245 124 I HN 0.126 nan 8.210 nan 0.000 0.434 125 V N 5.485 125.415 119.914 0.028 0.000 2.461 125 V HA 0.530 4.684 4.120 0.057 0.000 0.275 125 V C 0.698 176.777 176.094 -0.026 0.000 1.047 125 V CA -0.328 61.967 62.300 -0.008 0.000 0.955 125 V CB 1.278 33.090 31.823 -0.018 0.000 0.988 125 V HN 0.844 nan 8.190 nan 0.000 0.471 126 A N 4.326 127.127 122.820 -0.032 0.000 2.264 126 A HA 0.926 5.280 4.320 0.057 0.000 0.304 126 A C 0.144 177.692 177.584 -0.061 0.000 1.100 126 A CA -0.148 51.865 52.037 -0.040 0.000 0.839 126 A CB 1.113 20.099 19.000 -0.023 0.000 1.121 126 A HN 1.240 nan 8.150 nan 0.000 0.496 127 A N -0.009 122.772 122.820 -0.065 0.000 2.356 127 A HA 0.765 5.119 4.320 0.057 0.000 0.323 127 A C 0.152 177.693 177.584 -0.072 0.000 1.119 127 A CA -0.008 51.978 52.037 -0.085 0.000 0.790 127 A CB 1.288 20.228 19.000 -0.100 0.000 1.273 127 A HN 1.079 nan 8.150 nan 0.000 0.452 128 T N -0.494 113.985 114.554 -0.126 0.000 2.864 128 T HA 0.788 5.173 4.350 0.057 0.000 0.276 128 T C 0.529 175.063 174.700 -0.277 0.000 1.006 128 T CA 0.947 62.949 62.100 -0.163 0.000 0.970 128 T CB 0.849 69.584 68.868 -0.223 0.000 1.420 128 T HN 2.647 nan 8.240 nan 0.000 0.601 129 G N -0.348 108.115 108.800 -0.562 0.000 2.526 129 G HA2 0.078 4.073 3.960 0.057 0.000 0.250 129 G HA3 0.078 4.073 3.960 0.057 0.000 0.250 129 G C -1.775 173.126 174.900 0.002 0.000 1.289 129 G CA -0.375 44.257 45.100 -0.780 0.000 0.947 129 G HN 0.871 nan 8.290 nan 0.000 0.517 130 L N -1.246 120.078 121.223 0.168 0.000 2.455 130 L HA 0.607 4.981 4.340 0.057 0.000 0.264 130 L C 0.018 177.109 176.870 0.368 0.000 0.968 130 L CA -0.732 54.343 54.840 0.391 0.000 0.827 130 L CB 2.205 44.576 42.059 0.520 0.000 1.317 130 L HN 0.843 nan 8.230 nan 0.000 0.407 131 W N 2.747 124.124 121.300 0.129 0.000 1.940 131 W HA 0.310 4.982 4.660 0.020 0.000 0.516 131 W C 0.785 177.360 176.519 0.095 0.000 2.058 131 W CA -0.123 57.240 57.345 0.030 0.000 2.332 131 W CB 0.402 29.778 29.460 -0.140 0.000 1.870 131 W HN 0.360 nan 8.180 nan 0.000 0.766 132 F N 0.752 120.400 119.950 -0.503 0.000 2.668 132 F HA 0.307 4.876 4.527 0.069 0.000 0.297 132 F C 0.127 175.716 175.800 -0.352 0.000 1.124 132 F CA -0.554 57.163 58.000 -0.470 0.000 1.353 132 F CB -0.541 38.068 39.000 -0.652 0.000 0.992 132 F HN 0.056 nan 8.300 nan 0.000 0.524 133 D N 2.267 122.580 120.400 -0.146 0.000 2.957 133 D HA 0.252 4.926 4.640 0.057 0.000 0.352 133 D C -2.749 173.640 176.300 0.147 0.000 1.352 133 D CA -2.086 51.933 54.000 0.032 0.000 0.831 133 D CB 0.558 41.393 40.800 0.059 0.000 1.147 133 D HN 0.053 nan 8.370 nan 0.000 0.467 134 P HA 0.222 nan 4.420 nan 0.000 0.271 134 P C -2.519 174.835 177.300 0.090 0.000 1.216 134 P CA -1.046 62.172 63.100 0.196 0.000 0.776 134 P CB 0.841 32.667 31.700 0.210 0.000 0.881 135 P HA 0.183 nan 4.420 nan 0.000 0.277 135 P C 1.237 178.520 177.300 -0.027 0.000 1.271 135 P CA -0.446 62.691 63.100 0.063 0.000 0.795 135 P CB 1.158 32.938 31.700 0.135 0.000 1.101 136 L N 0.109 121.310 121.223 -0.037 0.000 2.081 136 L HA -0.197 4.178 4.340 0.057 0.000 0.212 136 L C 2.543 179.354 176.870 -0.097 0.000 1.080 136 L CA 1.823 56.614 54.840 -0.082 0.000 0.754 136 L CB -0.909 41.121 42.059 -0.049 0.000 0.893 136 L HN 0.385 nan 8.230 nan 0.000 0.433 137 S N -1.037 114.626 115.700 -0.062 0.000 2.447 137 S HA -0.077 4.427 4.470 0.057 0.000 0.233 137 S C 1.887 176.405 174.600 -0.138 0.000 1.006 137 S CA 0.960 59.108 58.200 -0.087 0.000 0.957 137 S CB -0.006 63.152 63.200 -0.070 0.000 0.773 137 S HN 0.288 nan 8.310 nan 0.000 0.507 138 M N 0.823 120.341 119.600 -0.137 0.000 2.299 138 M HA 0.173 4.687 4.480 0.057 0.000 0.264 138 M C 1.937 178.093 176.300 -0.240 0.000 1.095 138 M CA 1.046 56.272 55.300 -0.124 0.000 1.165 138 M CB -0.987 31.607 32.600 -0.011 0.000 1.349 138 M HN 0.177 nan 8.290 nan 0.000 0.446 139 R N 0.145 120.327 120.500 -0.529 0.000 2.193 139 R HA -0.057 4.317 4.340 0.057 0.000 0.229 139 R C 1.593 177.557 176.300 -0.560 0.000 1.110 139 R CA 0.790 56.214 56.100 -1.126 0.000 0.988 139 R CB -0.322 29.547 30.300 -0.719 0.000 0.871 139 R HN 0.191 nan 8.270 nan 0.000 0.458 140 L N 0.411 121.487 121.223 -0.245 0.000 2.591 140 L HA 0.039 4.413 4.340 0.057 0.000 0.228 140 L C 0.561 177.421 176.870 -0.018 0.000 1.133 140 L CA 0.575 55.355 54.840 -0.099 0.000 0.880 140 L CB -0.045 41.967 42.059 -0.079 0.000 1.033 140 L HN -0.074 nan 8.230 nan 0.000 0.450 141 R N -0.304 120.217 120.500 0.034 0.000 2.500 141 R HA 0.393 4.767 4.340 0.057 0.000 0.275 141 R C 0.590 176.964 176.300 0.123 0.000 1.051 141 R CA -0.116 56.023 56.100 0.065 0.000 1.088 141 R CB 0.935 31.261 30.300 0.043 0.000 1.063 141 R HN 0.166 nan 8.270 nan 0.000 0.511 142 S N -0.518 115.214 115.700 0.053 0.000 2.645 142 S HA 0.063 4.568 4.470 0.057 0.000 0.266 142 S C 1.283 175.888 174.600 0.008 0.000 1.258 142 S CA -0.674 57.550 58.200 0.039 0.000 0.990 142 S CB 1.164 64.373 63.200 0.014 0.000 0.967 142 S HN 0.385 nan 8.310 nan 0.000 0.556 143 V N 1.197 121.108 119.914 -0.005 0.000 2.392 143 V HA -0.166 3.988 4.120 0.057 0.000 0.249 143 V C 2.351 178.416 176.094 -0.048 0.000 1.059 143 V CA 2.430 64.709 62.300 -0.036 0.000 1.051 143 V CB -1.110 30.702 31.823 -0.018 0.000 0.658 143 V HN 0.965 nan 8.190 nan 0.000 0.455 144 E N -0.443 119.739 120.200 -0.029 0.000 2.072 144 E HA -0.228 4.156 4.350 0.057 0.000 0.191 144 E C 2.174 178.746 176.600 -0.047 0.000 0.985 144 E CA 1.580 57.962 56.400 -0.031 0.000 0.801 144 E CB -0.134 29.556 29.700 -0.016 0.000 0.750 144 E HN 0.716 nan 8.360 nan 0.000 0.452 145 E N 0.711 120.883 120.200 -0.046 0.000 2.077 145 E HA -0.161 4.224 4.350 0.057 0.000 0.193 145 E C 2.183 178.725 176.600 -0.097 0.000 0.989 145 E CA 0.747 57.117 56.400 -0.051 0.000 0.800 145 E CB -0.050 29.627 29.700 -0.039 0.000 0.746 145 E HN 0.217 nan 8.360 nan 0.000 0.452 146 L N 0.699 121.824 121.223 -0.163 0.000 2.083 146 L HA -0.181 4.194 4.340 0.057 0.000 0.209 146 L C 2.544 179.065 176.870 -0.581 0.000 1.083 146 L CA 1.177 55.775 54.840 -0.403 0.000 0.752 146 L CB -0.643 41.152 42.059 -0.441 0.000 0.899 146 L HN 0.181 nan 8.230 nan 0.000 0.433 147 T N -0.864 113.516 114.554 -0.289 0.000 2.720 147 T HA -0.244 4.141 4.350 0.057 0.000 0.268 147 T C 1.896 176.544 174.700 -0.085 0.000 1.037 147 T CA 1.373 63.383 62.100 -0.151 0.000 1.144 147 T CB -0.199 68.642 68.868 -0.044 0.000 0.864 147 T HN 0.400 nan 8.240 nan 0.000 0.444 148 Q N -0.207 119.556 119.800 -0.062 0.000 2.084 148 Q HA -0.080 4.295 4.340 0.057 0.000 0.202 148 Q C 2.057 178.072 176.000 0.025 0.000 0.978 148 Q CA 1.397 57.193 55.803 -0.012 0.000 0.844 148 Q CB -0.343 28.391 28.738 -0.006 0.000 0.898 148 Q HN 0.520 nan 8.270 nan 0.000 0.426 149 F N 0.567 120.433 119.950 -0.139 0.000 2.102 149 F HA -0.204 4.366 4.527 0.072 0.000 0.298 149 F C 1.612 177.476 175.800 0.107 0.000 1.105 149 F CA 1.142 59.101 58.000 -0.068 0.000 1.239 149 F CB -0.194 38.718 39.000 -0.146 0.000 0.991 149 F HN -0.042 nan 8.300 nan 0.000 0.474 150 F N 0.610 120.448 119.950 -0.187 0.000 2.134 150 F HA -0.143 4.412 4.527 0.047 0.000 0.299 150 F C 2.367 178.049 175.800 -0.197 0.000 1.097 150 F CA 0.906 58.750 58.000 -0.260 0.000 1.264 150 F CB -1.623 37.335 39.000 -0.070 0.000 1.001 150 F HN 0.022 nan 8.300 nan 0.000 0.479 151 L N -0.443 120.822 121.223 0.070 0.000 2.083 151 L HA -0.195 4.180 4.340 0.057 0.000 0.209 151 L C 2.762 179.634 176.870 0.003 0.000 1.083 151 L CA 1.220 56.077 54.840 0.028 0.000 0.752 151 L CB -0.577 41.497 42.059 0.025 0.000 0.899 151 L HN 0.062 nan 8.230 nan 0.000 0.433 152 R N 0.681 121.168 120.500 -0.022 0.000 2.083 152 R HA -0.204 4.171 4.340 0.057 0.000 0.237 152 R C 1.974 178.290 176.300 0.027 0.000 1.137 152 R CA 1.841 57.952 56.100 0.019 0.000 0.951 152 R CB -0.177 30.129 30.300 0.010 0.000 0.851 152 R HN 0.463 nan 8.270 nan 0.000 0.434 153 E N -0.064 120.067 120.200 -0.116 0.000 2.204 153 E HA -0.147 4.237 4.350 0.057 0.000 0.194 153 E C 2.053 178.619 176.600 -0.055 0.000 0.989 153 E CA 1.189 57.524 56.400 -0.108 0.000 0.824 153 E CB -0.002 29.546 29.700 -0.253 0.000 0.756 153 E HN 0.467 nan 8.360 nan 0.000 0.477 154 I N 0.553 121.096 120.570 -0.046 0.000 2.400 154 I HA -0.197 4.007 4.170 0.057 0.000 0.248 154 I C 2.275 178.384 176.117 -0.013 0.000 1.109 154 I CA 0.957 62.234 61.300 -0.038 0.000 1.425 154 I CB 0.017 37.994 38.000 -0.039 0.000 1.094 154 I HN -0.003 nan 8.210 nan 0.000 0.425 155 Q N -1.120 118.693 119.800 0.021 0.000 2.373 155 Q HA -0.054 4.321 4.340 0.057 0.000 0.210 155 Q C 1.557 177.609 176.000 0.088 0.000 0.913 155 Q CA 0.863 56.691 55.803 0.041 0.000 0.911 155 Q CB 0.400 29.168 28.738 0.050 0.000 1.040 155 Q HN 0.488 nan 8.270 nan 0.000 0.521 156 Y N -0.277 120.009 120.300 -0.024 0.000 2.447 156 Y HA 0.404 4.987 4.550 0.054 0.000 0.286 156 Y C 0.528 176.421 175.900 -0.011 0.000 1.153 156 Y CA 1.238 59.331 58.100 -0.013 0.000 1.241 156 Y CB 1.086 39.543 38.460 -0.006 0.000 1.284 156 Y HN -0.014 nan 8.280 nan 0.000 0.520 157 G N 0.265 109.061 108.800 -0.007 0.000 2.350 157 G HA2 0.184 4.179 3.960 0.057 0.000 0.305 157 G HA3 0.184 4.179 3.960 0.057 0.000 0.305 157 G C -1.970 172.962 174.900 0.055 0.000 1.479 157 G CA -0.717 44.332 45.100 -0.085 0.000 0.949 157 G HN 0.171 nan 8.290 nan 0.000 0.651 158 I N 1.968 122.555 120.570 0.029 0.000 2.352 158 I HA 0.350 4.554 4.170 0.057 0.000 0.290 158 I C 0.992 177.174 176.117 0.109 0.000 1.036 158 I CA 0.101 61.447 61.300 0.077 0.000 1.336 158 I CB 0.911 38.946 38.000 0.059 0.000 1.407 158 I HN 0.943 nan 8.210 nan 0.000 0.497 159 E N 3.641 123.942 120.200 0.169 0.000 3.333 159 E HA -0.321 4.063 4.350 0.057 0.000 0.342 159 E C -0.019 176.673 176.600 0.153 0.000 1.501 159 E CA 1.695 58.195 56.400 0.167 0.000 1.770 159 E CB -0.454 29.333 29.700 0.146 0.000 1.817 159 E HN 0.930 nan 8.360 nan 0.000 0.485 160 D N 0.153 120.619 120.400 0.111 0.000 2.463 160 D HA 0.044 4.718 4.640 0.057 0.000 0.224 160 D C 1.006 177.324 176.300 0.030 0.000 1.174 160 D CA 0.882 54.934 54.000 0.086 0.000 0.829 160 D CB -0.187 40.664 40.800 0.085 0.000 0.993 160 D HN 0.421 nan 8.370 nan 0.000 0.497 161 T N -4.416 110.146 114.554 0.015 0.000 3.067 161 T HA 0.286 4.670 4.350 0.057 0.000 0.257 161 T C 1.886 176.556 174.700 -0.051 0.000 1.105 161 T CA 0.648 62.744 62.100 -0.007 0.000 1.104 161 T CB -0.191 68.682 68.868 0.008 0.000 0.925 161 T HN 0.323 nan 8.240 nan 0.000 0.498 162 G N 1.548 110.284 108.800 -0.107 0.000 2.184 162 G HA2 -0.239 3.755 3.960 0.057 0.000 0.264 162 G HA3 -0.239 3.755 3.960 0.057 0.000 0.264 162 G C 0.105 174.936 174.900 -0.114 0.000 0.975 162 G CA 0.254 45.257 45.100 -0.161 0.000 0.642 162 G HN 0.672 nan 8.290 nan 0.000 0.536 163 I N 1.501 122.029 120.570 -0.069 0.000 2.396 163 I HA 0.294 4.498 4.170 0.057 0.000 0.289 163 I C 0.974 177.062 176.117 -0.048 0.000 1.056 163 I CA -0.247 61.026 61.300 -0.046 0.000 1.365 163 I CB 0.612 38.599 38.000 -0.021 0.000 1.407 163 I HN 0.059 nan 8.210 nan 0.000 0.509 164 R N 4.985 125.454 120.500 -0.052 0.000 2.407 164 R HA 0.642 5.016 4.340 0.057 0.000 0.303 164 R C -0.213 176.057 176.300 -0.049 0.000 0.981 164 R CA -0.753 55.317 56.100 -0.051 0.000 0.905 164 R CB 1.666 31.933 30.300 -0.056 0.000 1.099 164 R HN 0.712 nan 8.270 nan 0.000 0.459 165 A N 1.247 124.034 122.820 -0.055 0.000 2.462 165 A HA 0.322 4.676 4.320 0.057 0.000 0.243 165 A C 1.025 178.562 177.584 -0.078 0.000 1.076 165 A CA 0.118 52.115 52.037 -0.067 0.000 0.773 165 A CB 0.354 19.303 19.000 -0.084 0.000 1.010 165 A HN 0.945 nan 8.150 nan 0.000 0.493 166 G N 0.524 109.273 108.800 -0.084 0.000 3.324 166 G HA2 0.459 4.454 3.960 0.057 0.000 0.251 166 G HA3 0.459 4.454 3.960 0.057 0.000 0.251 166 G C -0.014 174.807 174.900 -0.131 0.000 1.072 166 G CA 0.295 45.335 45.100 -0.100 0.000 0.787 166 G HN 0.719 nan 8.290 nan 0.000 0.537 167 I N -0.395 120.097 120.570 -0.131 0.000 2.984 167 I HA 0.522 4.727 4.170 0.057 0.000 0.303 167 I C -1.429 174.597 176.117 -0.152 0.000 1.381 167 I CA -1.138 60.072 61.300 -0.151 0.000 0.988 167 I CB 2.428 40.360 38.000 -0.114 0.000 1.307 167 I HN -0.109 nan 8.210 nan 0.000 0.460 171 A N 0.786 123.765 122.820 0.265 0.000 2.574 171 A HA 1.049 5.404 4.320 0.057 0.000 0.297 171 A C -0.395 177.304 177.584 0.192 0.000 1.062 171 A CA -0.015 52.201 52.037 0.298 0.000 0.686 171 A CB 1.816 20.995 19.000 0.299 0.000 1.285 171 A HN 2.593 nan 8.150 nan 0.000 0.403 172 T N -1.587 113.081 114.554 0.190 0.000 2.883 172 T HA 0.797 5.182 4.350 0.057 0.000 0.296 172 T C -0.390 174.354 174.700 0.073 0.000 1.117 172 T CA -0.039 62.108 62.100 0.078 0.000 1.006 172 T CB 1.724 70.609 68.868 0.029 0.000 1.191 172 T HN 1.695 nan 8.240 nan 0.000 0.508 173 T N -1.287 113.232 114.554 -0.059 0.000 3.305 173 T HA 0.676 5.060 4.350 0.057 0.000 0.348 173 T C 0.703 175.353 174.700 -0.085 0.000 1.394 173 T CA 0.078 62.116 62.100 -0.104 0.000 1.549 173 T CB -0.218 68.459 68.868 -0.318 0.000 0.962 173 T HN 2.113 nan 8.240 nan 0.000 0.609 174 G N 2.071 110.839 108.800 -0.052 0.000 2.627 174 G HA2 -0.132 3.863 3.960 0.057 0.000 0.214 174 G HA3 -0.132 3.863 3.960 0.057 0.000 0.214 174 G C -0.438 174.435 174.900 -0.046 0.000 1.331 174 G CA -0.586 44.482 45.100 -0.054 0.000 0.891 174 G HN 0.886 nan 8.290 nan 0.000 0.539 175 K N 0.528 120.901 120.400 -0.044 0.000 2.530 175 K HA 0.434 4.789 4.320 0.057 0.000 0.280 175 K C 0.989 177.569 176.600 -0.034 0.000 1.004 175 K CA 0.448 56.711 56.287 -0.039 0.000 1.071 175 K CB 0.053 32.533 32.500 -0.034 0.000 0.876 175 K HN 1.661 nan 8.250 nan 0.000 0.487 176 A N 3.890 126.689 122.820 -0.036 0.000 2.511 176 A HA 0.089 4.444 4.320 0.057 0.000 0.242 176 A C 0.423 178.002 177.584 -0.007 0.000 1.069 176 A CA 0.170 52.191 52.037 -0.025 0.000 0.763 176 A CB -0.112 18.861 19.000 -0.044 0.000 1.001 176 A HN 0.896 nan 8.150 nan 0.000 0.498 177 T N 0.877 115.441 114.554 0.016 0.000 2.748 177 T HA 0.294 4.679 4.350 0.057 0.000 0.304 177 T C -1.773 172.958 174.700 0.052 0.000 1.041 177 T CA -0.800 61.325 62.100 0.042 0.000 1.033 177 T CB 0.185 69.102 68.868 0.081 0.000 0.995 177 T HN 0.357 nan 8.240 nan 0.000 0.536 178 P HA -0.054 nan 4.420 nan 0.000 0.216 178 P C 1.210 178.573 177.300 0.105 0.000 1.153 178 P CA 0.736 63.879 63.100 0.071 0.000 0.858 178 P CB -0.129 31.616 31.700 0.076 0.000 0.789 179 F N 0.482 120.445 119.950 0.021 0.000 2.146 179 F HA -0.164 4.402 4.527 0.063 0.000 0.298 179 F C 2.142 177.975 175.800 0.056 0.000 1.096 179 F CA 1.590 59.612 58.000 0.036 0.000 1.275 179 F CB -0.848 38.175 39.000 0.038 0.000 1.008 179 F HN -0.115 nan 8.300 nan 0.000 0.480 180 Q N 0.055 119.834 119.800 -0.036 0.000 2.170 180 Q HA -0.208 4.166 4.340 0.057 0.000 0.203 180 Q C 2.079 178.006 176.000 -0.122 0.000 0.976 180 Q CA 1.846 57.590 55.803 -0.099 0.000 0.858 180 Q CB -0.266 28.483 28.738 0.018 0.000 0.907 180 Q HN 0.564 nan 8.270 nan 0.000 0.433 181 E N 0.539 120.689 120.200 -0.084 0.000 2.085 181 E HA -0.199 4.186 4.350 0.057 0.000 0.194 181 E C 2.021 178.567 176.600 -0.088 0.000 0.994 181 E CA 0.986 57.341 56.400 -0.075 0.000 0.801 181 E CB -0.142 29.533 29.700 -0.043 0.000 0.743 181 E HN 0.354 nan 8.360 nan 0.000 0.453 182 L N 0.558 121.694 121.223 -0.144 0.000 2.042 182 L HA -0.191 4.184 4.340 0.057 0.000 0.210 182 L C 2.533 179.307 176.870 -0.160 0.000 1.076 182 L CA 0.801 55.549 54.840 -0.154 0.000 0.749 182 L CB -0.636 41.311 42.059 -0.185 0.000 0.893 182 L HN 0.059 nan 8.230 nan 0.000 0.432 183 V N -0.062 119.685 119.914 -0.278 0.000 2.295 183 V HA -0.287 3.867 4.120 0.057 0.000 0.246 183 V C 2.467 178.655 176.094 0.155 0.000 1.049 183 V CA 1.582 63.855 62.300 -0.045 0.000 1.024 183 V CB -0.430 31.340 31.823 -0.088 0.000 0.648 183 V HN 0.242 nan 8.190 nan 0.000 0.447 184 L N -0.269 121.003 121.223 0.082 0.000 2.046 184 L HA -0.166 4.209 4.340 0.057 0.000 0.208 184 L C 2.379 179.399 176.870 0.250 0.000 1.077 184 L CA 1.881 56.828 54.840 0.178 0.000 0.747 184 L CB -0.866 41.152 42.059 -0.068 0.000 0.896 184 L HN 0.279 nan 8.230 nan 0.000 0.432 185 K N -0.856 119.619 120.400 0.126 0.000 2.057 185 K HA -0.092 4.262 4.320 0.057 0.000 0.206 185 K C 2.171 178.861 176.600 0.149 0.000 1.050 185 K CA 1.299 57.662 56.287 0.128 0.000 0.935 185 K CB -0.375 32.160 32.500 0.057 0.000 0.715 185 K HN 0.305 nan 8.250 nan 0.000 0.439 186 A N 1.577 124.482 122.820 0.142 0.000 1.933 186 A HA -0.110 4.245 4.320 0.057 0.000 0.218 186 A C 2.377 180.165 177.584 0.340 0.000 1.175 186 A CA 1.800 53.930 52.037 0.156 0.000 0.628 186 A CB -0.676 18.323 19.000 -0.002 0.000 0.814 186 A HN 0.331 nan 8.150 nan 0.000 0.444 187 A N -0.063 123.013 122.820 0.427 0.000 1.902 187 A HA 0.153 4.508 4.320 0.057 0.000 0.217 187 A C 2.516 180.192 177.584 0.154 0.000 1.181 187 A CA 2.111 54.322 52.037 0.291 0.000 0.623 187 A CB -1.042 18.080 19.000 0.204 0.000 0.818 187 A HN 1.052 nan 8.150 nan 0.000 0.443 188 A N -0.161 122.770 122.820 0.184 0.000 1.902 188 A HA -0.177 4.178 4.320 0.057 0.000 0.217 188 A C 2.251 179.879 177.584 0.074 0.000 1.181 188 A CA 1.614 53.712 52.037 0.102 0.000 0.623 188 A CB -0.466 18.664 19.000 0.215 0.000 0.818 188 A HN 0.563 nan 8.150 nan 0.000 0.443 189 R N -0.561 119.999 120.500 0.101 0.000 2.081 189 R HA -0.047 4.328 4.340 0.057 0.000 0.235 189 R C 2.487 178.823 176.300 0.060 0.000 1.131 189 R CA 1.198 57.339 56.100 0.069 0.000 0.960 189 R CB -0.471 29.868 30.300 0.065 0.000 0.856 189 R HN 0.506 nan 8.270 nan 0.000 0.436 190 A N 0.359 123.238 122.820 0.098 0.000 1.902 190 A HA -0.185 4.169 4.320 0.057 0.000 0.217 190 A C 2.193 179.789 177.584 0.020 0.000 1.181 190 A CA 1.821 53.907 52.037 0.083 0.000 0.623 190 A CB -0.623 18.480 19.000 0.172 0.000 0.818 190 A HN 0.308 nan 8.150 nan 0.000 0.443 191 S N -0.512 115.184 115.700 -0.006 0.000 2.368 191 S HA -0.089 4.415 4.470 0.057 0.000 0.225 191 S C 1.879 176.450 174.600 -0.049 0.000 1.030 191 S CA 1.414 59.578 58.200 -0.059 0.000 0.999 191 S CB -0.462 62.676 63.200 -0.105 0.000 0.844 191 S HN 0.490 nan 8.310 nan 0.000 0.459 192 L N 0.735 121.943 121.223 -0.025 0.000 2.275 192 L HA -0.005 4.369 4.340 0.057 0.000 0.215 192 L C 2.593 179.454 176.870 -0.015 0.000 1.119 192 L CA 1.050 55.879 54.840 -0.019 0.000 0.790 192 L CB -0.403 41.656 42.059 -0.001 0.000 0.919 192 L HN 0.424 nan 8.230 nan 0.000 0.443 193 A N -1.102 121.714 122.820 -0.008 0.000 2.132 193 A HA -0.036 4.319 4.320 0.057 0.000 0.213 193 A C 2.056 179.630 177.584 -0.016 0.000 1.154 193 A CA 1.356 53.389 52.037 -0.007 0.000 0.753 193 A CB -0.280 18.723 19.000 0.005 0.000 0.826 193 A HN 0.454 nan 8.150 nan 0.000 0.469 194 T N -6.936 107.601 114.554 -0.028 0.000 2.966 194 T HA 0.419 4.803 4.350 0.057 0.000 0.254 194 T C 1.471 176.136 174.700 -0.059 0.000 0.961 194 T CA 1.089 63.166 62.100 -0.039 0.000 0.915 194 T CB 0.252 69.096 68.868 -0.039 0.000 1.186 194 T HN 1.592 nan 8.240 nan 0.000 0.505 195 G N 1.377 110.134 108.800 -0.071 0.000 2.179 195 G HA2 -0.249 3.746 3.960 0.057 0.000 0.260 195 G HA3 -0.249 3.746 3.960 0.057 0.000 0.260 195 G C 0.131 174.950 174.900 -0.135 0.000 0.977 195 G CA 0.066 45.109 45.100 -0.094 0.000 0.641 195 G HN 0.789 nan 8.290 nan 0.000 0.533 196 V N 3.697 123.527 119.914 -0.139 0.000 2.572 196 V HA 0.371 4.525 4.120 0.057 0.000 0.291 196 V C -0.669 175.280 176.094 -0.242 0.000 1.039 196 V CA -0.555 61.635 62.300 -0.184 0.000 1.055 196 V CB 1.205 32.941 31.823 -0.146 0.000 0.969 196 V HN 0.314 nan 8.190 nan 0.000 0.482 197 P HA 0.321 nan 4.420 nan 0.000 0.278 197 P C -1.010 176.111 177.300 -0.298 0.000 1.266 197 P CA -0.312 62.512 63.100 -0.459 0.000 0.807 197 P CB 1.293 32.342 31.700 -1.084 0.000 1.094 198 V N 0.032 119.829 119.914 -0.195 0.000 2.513 198 V HA 0.518 4.673 4.120 0.057 0.000 0.299 198 V C 0.504 176.653 176.094 0.092 0.000 1.035 198 V CA -0.184 62.051 62.300 -0.107 0.000 0.889 198 V CB 1.459 33.118 31.823 -0.273 0.000 0.988 198 V HN 0.650 nan 8.190 nan 0.000 0.440 199 T N 2.674 117.297 114.554 0.116 0.000 2.893 199 T HA 0.723 5.108 4.350 0.057 0.000 0.291 199 T C -0.435 174.356 174.700 0.153 0.000 1.028 199 T CA -0.186 62.018 62.100 0.173 0.000 0.995 199 T CB 1.660 70.641 68.868 0.188 0.000 1.051 199 T HN 1.041 nan 8.240 nan 0.000 0.470 200 T N 0.860 115.504 114.554 0.149 0.000 2.907 200 T HA 0.538 4.923 4.350 0.057 0.000 0.292 200 T C -0.767 173.989 174.700 0.093 0.000 1.043 200 T CA -0.745 61.462 62.100 0.178 0.000 1.003 200 T CB 1.243 70.237 68.868 0.211 0.000 1.084 200 T HN 0.751 nan 8.240 nan 0.000 0.483 201 H N 1.408 120.542 119.070 0.106 0.000 2.580 201 H HA 0.591 5.186 4.556 0.065 0.000 0.322 201 H C 0.280 175.682 175.328 0.123 0.000 1.082 201 H CA -0.013 56.090 56.048 0.092 0.000 1.383 201 H CB 0.893 30.930 29.762 0.457 0.000 1.450 201 H HN 1.003 nan 8.280 nan 0.000 0.505 202 T N 1.771 116.263 114.554 -0.103 0.000 2.916 202 T HA 0.649 5.034 4.350 0.057 0.000 0.292 202 T C -0.350 174.309 174.700 -0.068 0.000 1.064 202 T CA -0.847 61.253 62.100 0.000 0.000 1.011 202 T CB 1.549 70.425 68.868 0.014 0.000 1.152 202 T HN 0.724 nan 8.240 nan 0.000 0.510 203 A N 1.077 123.900 122.820 0.005 0.000 2.621 203 A HA 0.696 5.051 4.320 0.057 0.000 0.329 203 A C 1.582 179.134 177.584 -0.053 0.000 1.458 203 A CA -0.243 51.781 52.037 -0.021 0.000 1.052 203 A CB -0.804 18.182 19.000 -0.022 0.000 1.142 203 A HN 1.295 nan 8.150 nan 0.000 0.523 204 A N 1.988 124.781 122.820 -0.044 0.000 1.972 204 A HA -0.109 4.246 4.320 0.057 0.000 0.219 204 A C 2.452 179.907 177.584 -0.215 0.000 1.169 204 A CA 2.144 54.134 52.037 -0.079 0.000 0.635 204 A CB -0.724 18.290 19.000 0.024 0.000 0.810 204 A HN 1.513 nan 8.150 nan 0.000 0.446 205 S N -0.373 115.248 115.700 -0.131 0.000 2.419 205 S HA -0.209 4.296 4.470 0.057 0.000 0.235 205 S C 1.541 176.037 174.600 -0.174 0.000 1.019 205 S CA 1.429 59.547 58.200 -0.138 0.000 0.982 205 S CB -0.423 62.734 63.200 -0.072 0.000 0.789 205 S HN 0.695 nan 8.310 nan 0.000 0.490 206 Q N 0.287 119.987 119.800 -0.167 0.000 2.319 206 Q HA 0.279 4.653 4.340 0.057 0.000 0.202 206 Q C -0.183 175.697 176.000 -0.200 0.000 0.896 206 Q CA -0.185 55.530 55.803 -0.147 0.000 0.942 206 Q CB 0.121 28.802 28.738 -0.095 0.000 1.083 206 Q HN 0.569 nan 8.270 nan 0.000 0.510 207 R N 0.935 121.215 120.500 -0.366 0.000 3.651 207 R HA -0.161 4.214 4.340 0.057 0.000 0.292 207 R C -0.246 175.993 176.300 -0.103 0.000 1.161 207 R CA 0.496 56.296 56.100 -0.500 0.000 0.787 207 R CB -1.446 28.626 30.300 -0.380 0.000 1.249 207 R HN 0.277 nan 8.270 nan 0.000 0.476 208 D N -0.290 120.079 120.400 -0.052 0.000 2.221 208 D HA -0.095 4.579 4.640 0.057 0.000 0.204 208 D C 1.995 178.316 176.300 0.035 0.000 0.982 208 D CA 1.630 55.628 54.000 -0.003 0.000 0.857 208 D CB -0.290 40.512 40.800 0.003 0.000 0.934 208 D HN 0.605 nan 8.370 nan 0.000 0.475 209 G N 0.804 109.695 108.800 0.152 0.000 2.475 209 G HA2 -0.307 3.688 3.960 0.057 0.000 0.220 209 G HA3 -0.307 3.688 3.960 0.057 0.000 0.220 209 G C 1.505 176.367 174.900 -0.063 0.000 1.125 209 G CA 0.720 45.840 45.100 0.035 0.000 0.755 209 G HN 0.321 nan 8.290 nan 0.000 0.565 210 E N -0.424 119.809 120.200 0.055 0.000 2.047 210 E HA -0.147 4.237 4.350 0.057 0.000 0.191 210 E C 2.447 179.008 176.600 -0.066 0.000 0.987 210 E CA 0.976 57.365 56.400 -0.018 0.000 0.799 210 E CB -0.164 29.568 29.700 0.054 0.000 0.752 210 E HN 0.553 nan 8.360 nan 0.000 0.449 211 Q N 0.701 120.463 119.800 -0.062 0.000 2.119 211 Q HA -0.208 4.166 4.340 0.057 0.000 0.201 211 Q C 2.119 178.014 176.000 -0.175 0.000 0.972 211 Q CA 1.188 56.935 55.803 -0.094 0.000 0.847 211 Q CB 0.142 28.832 28.738 -0.080 0.000 0.903 211 Q HN 0.340 nan 8.270 nan 0.000 0.433 212 Q N -0.171 119.498 119.800 -0.218 0.000 2.061 212 Q HA -0.181 4.194 4.340 0.057 0.000 0.204 212 Q C 2.107 177.818 176.000 -0.482 0.000 0.984 212 Q CA 1.487 57.023 55.803 -0.445 0.000 0.846 212 Q CB -0.243 28.317 28.738 -0.297 0.000 0.902 212 Q HN 0.442 nan 8.270 nan 0.000 0.421 213 A N 1.276 123.956 122.820 -0.234 0.000 1.883 213 A HA -0.201 4.153 4.320 0.057 0.000 0.217 213 A C 2.337 179.953 177.584 0.053 0.000 1.186 213 A CA 1.817 53.810 52.037 -0.074 0.000 0.624 213 A CB -0.941 17.826 19.000 -0.387 0.000 0.822 213 A HN 0.425 nan 8.150 nan 0.000 0.444 214 A N -0.181 122.619 122.820 -0.035 0.000 1.908 214 A HA -0.106 4.248 4.320 0.057 0.000 0.218 214 A C 2.142 179.721 177.584 -0.007 0.000 1.181 214 A CA 1.619 53.656 52.037 -0.000 0.000 0.627 214 A CB -0.626 18.360 19.000 -0.024 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.445 215 I N -1.621 118.885 120.570 -0.107 0.000 2.179 215 I HA -0.229 3.976 4.170 0.057 0.000 0.242 215 I C 2.241 178.367 176.117 0.016 0.000 1.088 215 I CA 1.210 62.444 61.300 -0.110 0.000 1.357 215 I CB -0.434 37.425 38.000 -0.234 0.000 1.051 215 I HN 0.267 nan 8.210 nan 0.000 0.409 216 F N 1.338 121.329 119.950 0.069 0.000 2.126 216 F HA -0.209 4.351 4.527 0.055 0.000 0.299 216 F C 2.549 178.402 175.800 0.089 0.000 1.096 216 F CA 1.343 59.398 58.000 0.093 0.000 1.255 216 F CB -1.041 38.046 39.000 0.146 0.000 0.997 216 F HN 0.125 nan 8.300 nan 0.000 0.479 217 E N -0.255 120.117 120.200 0.287 0.000 2.150 217 E HA -0.149 4.235 4.350 0.057 0.000 0.193 217 E C 2.263 178.935 176.600 0.119 0.000 0.985 217 E CA 1.288 57.797 56.400 0.182 0.000 0.814 217 E CB -0.280 29.521 29.700 0.167 0.000 0.752 217 E HN 0.397 nan 8.360 nan 0.000 0.466 218 S N 0.855 116.616 115.700 0.102 0.000 2.474 218 S HA -0.107 4.397 4.470 0.057 0.000 0.235 218 S C 1.565 176.208 174.600 0.072 0.000 0.997 218 S CA 0.751 58.992 58.200 0.069 0.000 0.949 218 S CB 0.041 63.268 63.200 0.045 0.000 0.766 218 S HN 0.116 nan 8.310 nan 0.000 0.517 219 E N 0.645 120.907 120.200 0.103 0.000 2.479 219 E HA 0.218 4.602 4.350 0.057 0.000 0.193 219 E C 1.368 178.015 176.600 0.079 0.000 1.049 219 E CA 0.528 56.985 56.400 0.095 0.000 0.870 219 E CB 0.116 29.895 29.700 0.133 0.000 0.944 219 E HN 0.711 nan 8.360 nan 0.000 0.492 220 G N 1.799 110.646 108.800 0.078 0.000 2.143 220 G HA2 -0.285 3.710 3.960 0.057 0.000 0.249 220 G HA3 -0.285 3.710 3.960 0.057 0.000 0.249 220 G C 0.129 175.055 174.900 0.044 0.000 0.981 220 G CA 0.384 45.516 45.100 0.053 0.000 0.665 220 G HN 0.256 nan 8.290 nan 0.000 0.528 221 L N 1.892 123.155 121.223 0.067 0.000 2.416 221 L HA 0.652 5.026 4.340 0.057 0.000 0.272 221 L C 1.001 177.867 176.870 -0.006 0.000 1.161 221 L CA 0.468 55.320 54.840 0.019 0.000 0.845 221 L CB 1.246 43.312 42.059 0.012 0.000 1.119 221 L HN 0.337 nan 8.230 nan 0.000 0.464 222 S N 5.685 121.353 115.700 -0.054 0.000 2.531 222 S HA 0.288 4.792 4.470 0.057 0.000 0.279 222 S C -1.586 172.914 174.600 -0.167 0.000 1.305 222 S CA -0.952 57.192 58.200 -0.093 0.000 1.058 222 S CB 0.785 63.934 63.200 -0.084 0.000 0.899 222 S HN 0.632 nan 8.310 nan 0.000 0.493 223 P HA -0.107 nan 4.420 nan 0.000 0.219 223 P C 1.462 178.536 177.300 -0.376 0.000 1.146 223 P CA 1.159 63.839 63.100 -0.700 0.000 0.808 223 P CB -0.086 30.893 31.700 -1.200 0.000 0.779 224 S N -1.209 114.368 115.700 -0.204 0.000 2.537 224 S HA -0.083 4.422 4.470 0.057 0.000 0.240 224 S C 1.468 176.080 174.600 0.020 0.000 0.981 224 S CA 0.647 58.804 58.200 -0.071 0.000 0.948 224 S CB -0.666 62.500 63.200 -0.057 0.000 0.759 224 S HN 0.025 nan 8.310 nan 0.000 0.531 225 R N 0.663 121.146 120.500 -0.029 0.000 2.468 225 R HA 0.456 4.830 4.340 0.057 0.000 0.280 225 R C -0.667 175.659 176.300 0.043 0.000 0.963 225 R CA -0.075 55.997 56.100 -0.046 0.000 1.083 225 R CB 0.038 30.258 30.300 -0.134 0.000 1.200 225 R HN 0.366 nan 8.270 nan 0.000 0.541 226 V N 0.649 120.670 119.914 0.177 0.000 2.577 226 V HA 0.271 4.425 4.120 0.057 0.000 0.303 226 V C -0.549 175.709 176.094 0.274 0.000 1.042 226 V CA -1.268 61.154 62.300 0.203 0.000 0.872 226 V CB 2.604 34.529 31.823 0.170 0.000 0.998 226 V HN 0.178 nan 8.190 nan 0.000 0.423 227 C N 7.011 126.429 119.300 0.197 0.000 2.298 227 C HA 0.597 5.091 4.460 0.057 0.000 0.323 227 C C -0.100 174.912 174.990 0.038 0.000 1.284 227 C CA -0.645 58.344 59.018 -0.048 0.000 1.577 227 C CB -0.298 27.234 27.740 -0.347 0.000 2.249 227 C HN 0.706 nan 8.230 nan 0.000 0.497 228 I N 6.843 127.414 120.570 0.002 0.000 2.294 228 I HA 0.283 4.487 4.170 0.057 0.000 0.295 228 I C 1.189 177.255 176.117 -0.085 0.000 1.098 228 I CA 0.555 61.840 61.300 -0.026 0.000 1.277 228 I CB -0.129 37.815 38.000 -0.094 0.000 1.434 228 I HN 0.901 nan 8.210 nan 0.000 0.498 229 G N 4.543 113.271 108.800 -0.119 0.000 2.547 229 G HA2 0.324 4.318 3.960 0.057 0.000 0.291 229 G HA3 0.324 4.318 3.960 0.057 0.000 0.291 229 G C 0.263 174.955 174.900 -0.346 0.000 1.211 229 G CA -0.208 44.727 45.100 -0.274 0.000 0.950 229 G HN 0.764 nan 8.290 nan 0.000 0.504 230 H N -1.058 117.792 119.070 -0.367 0.000 2.861 230 H HA -0.154 4.435 4.556 0.055 0.000 0.289 230 H C 1.871 177.052 175.328 -0.244 0.000 1.176 230 H CA 0.502 56.237 56.048 -0.522 0.000 1.146 230 H CB -1.819 27.576 29.762 -0.613 0.000 1.330 230 H HN 0.334 nan 8.280 nan 0.000 0.379 231 S N 0.110 115.775 115.700 -0.058 0.000 2.481 231 S HA -0.082 4.422 4.470 0.057 0.000 0.231 231 S C 1.689 176.317 174.600 0.047 0.000 0.996 231 S CA 0.828 59.043 58.200 0.025 0.000 0.942 231 S CB 0.103 63.293 63.200 -0.018 0.000 0.768 231 S HN 0.689 nan 8.310 nan 0.000 0.520 232 D N 0.871 121.283 120.400 0.020 0.000 2.363 232 D HA -0.065 4.610 4.640 0.057 0.000 0.226 232 D C 0.292 176.636 176.300 0.073 0.000 1.020 232 D CA 0.360 54.394 54.000 0.057 0.000 0.892 232 D CB -0.263 40.581 40.800 0.073 0.000 0.900 232 D HN 0.152 nan 8.370 nan 0.000 0.531 233 D N 0.258 120.697 120.400 0.064 0.000 2.371 233 D HA -0.031 4.644 4.640 0.057 0.000 0.221 233 D C 0.505 176.835 176.300 0.049 0.000 0.986 233 D CA 0.706 54.749 54.000 0.073 0.000 0.899 233 D CB 0.225 41.068 40.800 0.071 0.000 0.902 233 D HN 0.194 nan 8.370 nan 0.000 0.530 234 T N -0.706 113.880 114.554 0.054 0.000 2.912 234 T HA 0.170 4.555 4.350 0.057 0.000 0.288 234 T C -0.016 174.717 174.700 0.056 0.000 1.030 234 T CA -0.805 61.317 62.100 0.038 0.000 1.020 234 T CB 1.501 70.378 68.868 0.014 0.000 1.056 234 T HN -0.262 nan 8.240 nan 0.000 0.480 235 D N 1.477 121.902 120.400 0.041 0.000 2.349 235 D HA 0.070 4.744 4.640 0.057 0.000 0.214 235 D C -0.080 176.251 176.300 0.051 0.000 1.063 235 D CA 0.053 54.080 54.000 0.045 0.000 0.847 235 D CB 0.334 41.154 40.800 0.033 0.000 0.933 235 D HN 0.502 nan 8.370 nan 0.000 0.513 236 D N 1.693 122.129 120.400 0.060 0.000 2.470 236 D HA -0.023 4.651 4.640 0.057 0.000 0.226 236 D C 1.344 177.715 176.300 0.119 0.000 1.196 236 D CA -0.311 53.733 54.000 0.074 0.000 0.979 236 D CB 0.518 41.347 40.800 0.048 0.000 1.059 236 D HN -0.049 nan 8.370 nan 0.000 0.515 237 L N 3.573 124.844 121.223 0.081 0.000 2.083 237 L HA -0.187 4.188 4.340 0.057 0.000 0.209 237 L C 2.295 179.201 176.870 0.061 0.000 1.083 237 L CA 2.119 56.999 54.840 0.068 0.000 0.752 237 L CB -0.768 41.325 42.059 0.057 0.000 0.899 237 L HN 0.423 nan 8.230 nan 0.000 0.433 238 S N -1.558 114.184 115.700 0.069 0.000 2.382 238 S HA -0.306 4.198 4.470 0.057 0.000 0.228 238 S C 2.142 176.784 174.600 0.069 0.000 1.027 238 S CA 1.235 59.470 58.200 0.058 0.000 0.991 238 S CB -1.253 61.981 63.200 0.057 0.000 0.823 238 S HN 0.613 nan 8.310 nan 0.000 0.469 239 Y N 2.625 122.908 120.300 -0.028 0.000 2.145 239 Y HA -0.017 4.567 4.550 0.056 0.000 0.286 239 Y C 1.932 177.795 175.900 -0.062 0.000 1.145 239 Y CA 1.441 59.516 58.100 -0.042 0.000 1.148 239 Y CB -0.554 37.883 38.460 -0.039 0.000 0.981 239 Y HN 0.248 nan 8.280 nan 0.000 0.507 240 L N -0.335 120.779 121.223 -0.182 0.000 2.027 240 L HA -0.190 4.185 4.340 0.057 0.000 0.206 240 L C 2.653 179.351 176.870 -0.288 0.000 1.074 240 L CA 1.971 56.633 54.840 -0.297 0.000 0.745 240 L CB -1.355 40.633 42.059 -0.118 0.000 0.898 240 L HN 0.365 nan 8.230 nan 0.000 0.433 241 T N -2.165 112.266 114.554 -0.204 0.000 2.788 241 T HA -0.122 4.262 4.350 0.057 0.000 0.268 241 T C 1.939 176.446 174.700 -0.323 0.000 1.044 241 T CA 0.983 62.896 62.100 -0.311 0.000 1.139 241 T CB -0.369 68.450 68.868 -0.082 0.000 0.867 241 T HN 0.307 nan 8.240 nan 0.000 0.454 242 A N 1.443 124.154 122.820 -0.180 0.000 1.930 242 A HA 0.221 4.576 4.320 0.057 0.000 0.217 242 A C 2.432 179.931 177.584 -0.141 0.000 1.175 242 A CA 1.102 53.067 52.037 -0.121 0.000 0.627 242 A CB -0.832 18.136 19.000 -0.054 0.000 0.815 242 A HN 0.533 nan 8.150 nan 0.000 0.443 243 L N -0.832 120.260 121.223 -0.219 0.000 2.056 243 L HA -0.169 4.205 4.340 0.057 0.000 0.207 243 L C 3.105 179.935 176.870 -0.067 0.000 1.078 243 L CA 1.023 55.774 54.840 -0.149 0.000 0.749 243 L CB -0.499 41.358 42.059 -0.336 0.000 0.901 243 L HN 0.429 nan 8.230 nan 0.000 0.433 244 A N 0.006 122.660 122.820 -0.275 0.000 1.933 244 A HA -0.189 4.165 4.320 0.057 0.000 0.218 244 A C 2.479 179.880 177.584 -0.305 0.000 1.175 244 A CA 1.712 53.533 52.037 -0.360 0.000 0.628 244 A CB -0.697 17.863 19.000 -0.732 0.000 0.814 244 A HN 0.412 nan 8.150 nan 0.000 0.444 245 A N -0.374 122.243 122.820 -0.339 0.000 2.019 245 A HA -0.116 4.239 4.320 0.057 0.000 0.219 245 A C 2.119 179.718 177.584 0.024 0.000 1.164 245 A CA 1.372 53.391 52.037 -0.031 0.000 0.644 245 A CB -0.374 18.640 19.000 0.022 0.000 0.805 245 A HN 0.554 nan 8.150 nan 0.000 0.449 246 R N -1.600 118.913 120.500 0.021 0.000 2.299 246 R HA 0.197 4.571 4.340 0.057 0.000 0.197 246 R C 1.299 177.558 176.300 -0.068 0.000 0.971 246 R CA 0.588 56.717 56.100 0.048 0.000 1.030 246 R CB -0.019 30.396 30.300 0.191 0.000 0.932 246 R HN 0.667 nan 8.270 nan 0.000 0.477 247 G N -0.588 108.166 108.800 -0.076 0.000 2.179 247 G HA2 -0.278 3.717 3.960 0.057 0.000 0.220 247 G HA3 -0.278 3.717 3.960 0.057 0.000 0.220 247 G C -0.225 174.527 174.900 -0.247 0.000 0.990 247 G CA -0.526 44.483 45.100 -0.151 0.000 0.646 247 G HN 0.213 nan 8.290 nan 0.000 0.517 248 Y N -0.017 120.253 120.300 -0.050 0.000 2.480 248 Y HA 0.522 5.107 4.550 0.057 0.000 0.338 248 Y C 1.305 177.150 175.900 -0.092 0.000 1.220 248 Y CA -0.344 57.722 58.100 -0.056 0.000 1.430 248 Y CB 0.458 38.876 38.460 -0.070 0.000 1.311 248 Y HN 0.146 nan 8.280 nan 0.000 0.575 249 L N 3.977 125.218 121.223 0.031 0.000 2.371 249 L HA 0.198 4.573 4.340 0.057 0.000 0.272 249 L C -0.520 176.293 176.870 -0.095 0.000 1.124 249 L CA 0.074 54.850 54.840 -0.106 0.000 0.816 249 L CB 0.310 42.170 42.059 -0.331 0.000 1.129 249 L HN 0.376 nan 8.230 nan 0.000 0.448 250 I N 2.558 123.055 120.570 -0.120 0.000 2.354 250 I HA 0.302 4.506 4.170 0.057 0.000 0.286 250 I C 0.664 176.707 176.117 -0.122 0.000 1.007 250 I CA -0.316 60.914 61.300 -0.117 0.000 1.167 250 I CB 1.006 38.939 38.000 -0.112 0.000 1.320 250 I HN 0.614 nan 8.210 nan 0.000 0.458 251 G N 7.460 116.184 108.800 -0.127 0.000 2.393 251 G HA2 0.511 4.505 3.960 0.057 0.000 0.311 251 G HA3 0.511 4.505 3.960 0.057 0.000 0.311 251 G C -0.130 174.712 174.900 -0.097 0.000 1.067 251 G CA -0.400 44.626 45.100 -0.124 0.000 1.000 251 G HN 0.552 nan 8.290 nan 0.000 0.422 252 L N 3.371 124.561 121.223 -0.055 0.000 2.397 252 L HA 0.262 4.636 4.340 0.057 0.000 0.263 252 L C 0.121 176.995 176.870 0.007 0.000 1.136 252 L CA -0.559 54.273 54.840 -0.014 0.000 1.019 252 L CB 0.720 42.792 42.059 0.023 0.000 1.352 252 L HN 0.682 nan 8.230 nan 0.000 0.420 253 D N -2.444 117.925 120.400 -0.051 0.000 2.469 253 D HA -0.015 4.660 4.640 0.057 0.000 0.215 253 D C 0.915 177.211 176.300 -0.007 0.000 1.154 253 D CA 0.009 53.986 54.000 -0.039 0.000 0.832 253 D CB 0.086 40.798 40.800 -0.147 0.000 1.008 253 D HN 0.414 nan 8.370 nan 0.000 0.506 254 H N 0.364 119.353 119.070 -0.136 0.000 2.486 254 H HA 0.232 4.821 4.556 0.055 0.000 0.284 254 H C 1.131 176.450 175.328 -0.014 0.000 1.103 254 H CA -0.475 55.366 56.048 -0.344 0.000 1.089 254 H CB 0.751 30.203 29.762 -0.517 0.000 1.603 254 H HN -0.008 nan 8.280 nan 0.000 0.557 255 I N 1.884 122.599 120.570 0.242 0.000 2.151 255 I HA -0.165 4.039 4.170 0.057 0.000 0.243 255 I C -0.676 175.634 176.117 0.322 0.000 1.080 255 I CA 1.159 62.660 61.300 0.336 0.000 1.339 255 I CB -2.010 36.242 38.000 0.419 0.000 1.039 255 I HN 0.284 nan 8.210 nan 0.000 0.409 256 P HA -0.089 nan 4.420 nan 0.000 0.249 256 P C 0.015 177.347 177.300 0.053 0.000 1.229 256 P CA 0.338 63.198 63.100 -0.400 0.000 0.788 256 P CB -0.288 30.821 31.700 -0.985 0.000 1.072 257 Y N 1.003 121.303 120.300 -0.001 0.000 2.587 257 Y HA 0.380 4.962 4.550 0.055 0.000 0.344 257 Y C 1.073 176.984 175.900 0.018 0.000 1.061 257 Y CA -0.088 58.007 58.100 -0.009 0.000 1.370 257 Y CB 0.045 38.423 38.460 -0.136 0.000 1.163 257 Y HN -0.113 nan 8.280 nan 0.000 0.527 258 S N 1.582 117.339 115.700 0.096 0.000 2.548 258 S HA 0.668 5.172 4.470 0.057 0.000 0.278 258 S C -0.170 174.451 174.600 0.035 0.000 1.150 258 S CA -0.163 58.086 58.200 0.082 0.000 0.907 258 S CB 0.794 64.063 63.200 0.114 0.000 1.108 258 S HN 0.631 nan 8.310 nan 0.000 0.459 259 A N 4.499 127.337 122.820 0.030 0.000 2.379 259 A HA 0.442 4.797 4.320 0.057 0.000 0.236 259 A C 0.479 178.077 177.584 0.023 0.000 1.272 259 A CA -0.268 51.779 52.037 0.017 0.000 0.886 259 A CB -0.544 18.463 19.000 0.013 0.000 0.962 259 A HN 0.793 nan 8.150 nan 0.000 0.504 260 I N 0.419 121.009 120.570 0.033 0.000 2.741 260 I HA 0.154 4.358 4.170 0.057 0.000 0.288 260 I C 1.560 177.694 176.117 0.029 0.000 1.192 260 I CA 1.634 62.953 61.300 0.031 0.000 1.426 260 I CB 0.297 38.319 38.000 0.036 0.000 1.367 260 I HN 0.499 nan 8.210 nan 0.000 0.563 261 G N 5.510 114.323 108.800 0.022 0.000 2.194 261 G HA2 -0.260 3.735 3.960 0.057 0.000 0.236 261 G HA3 -0.260 3.735 3.960 0.057 0.000 0.236 261 G C 0.375 175.282 174.900 0.012 0.000 0.987 261 G CA 0.251 45.363 45.100 0.019 0.000 0.635 261 G HN 0.757 nan 8.290 nan 0.000 0.520 262 L N -3.571 117.658 121.223 0.010 0.000 3.313 262 L HA 0.718 5.093 4.340 0.057 0.000 0.339 262 L C 0.920 177.792 176.870 0.003 0.000 1.309 262 L CA -0.207 54.635 54.840 0.003 0.000 0.867 262 L CB 0.330 42.388 42.059 -0.002 0.000 1.316 262 L HN -0.061 nan 8.230 nan 0.000 0.604 263 E N 1.042 121.245 120.200 0.006 0.000 2.268 263 E HA -0.157 4.227 4.350 0.057 0.000 0.195 263 E C 1.112 177.714 176.600 0.004 0.000 0.995 263 E CA 1.480 57.884 56.400 0.007 0.000 0.836 263 E CB -0.068 29.638 29.700 0.009 0.000 0.763 263 E HN 0.730 nan 8.360 nan 0.000 0.491 264 D N -0.104 120.297 120.400 0.000 0.000 2.363 264 D HA -0.103 4.572 4.640 0.057 0.000 0.220 264 D C 0.213 176.508 176.300 -0.008 0.000 0.994 264 D CA 0.168 54.166 54.000 -0.003 0.000 0.890 264 D CB -0.394 40.404 40.800 -0.005 0.000 0.906 264 D HN -0.036 nan 8.370 nan 0.000 0.530 265 N N 0.855 119.550 118.700 -0.009 0.000 2.439 265 N HA 0.230 5.005 4.740 0.057 0.000 0.243 265 N C 0.791 176.296 175.510 -0.008 0.000 1.088 265 N CA -0.040 53.000 53.050 -0.016 0.000 0.940 265 N CB 1.213 39.688 38.487 -0.020 0.000 1.180 265 N HN 0.015 nan 8.380 nan 0.000 0.505 266 A N 3.016 125.829 122.820 -0.011 0.000 1.898 266 A HA -0.152 4.203 4.320 0.057 0.000 0.216 266 A C 2.160 179.758 177.584 0.023 0.000 1.181 266 A CA 1.907 53.946 52.037 0.003 0.000 0.620 266 A CB -0.702 18.295 19.000 -0.005 0.000 0.819 266 A HN 0.756 nan 8.150 nan 0.000 0.442 267 S N 0.268 115.966 115.700 -0.004 0.000 2.368 267 S HA 0.027 4.531 4.470 0.057 0.000 0.225 267 S C 2.101 176.790 174.600 0.150 0.000 1.030 267 S CA 1.340 59.560 58.200 0.034 0.000 0.999 267 S CB -0.689 62.382 63.200 -0.217 0.000 0.844 267 S HN 0.872 nan 8.310 nan 0.000 0.459 268 A N 1.638 124.491 122.820 0.056 0.000 1.930 268 A HA 0.064 4.418 4.320 0.057 0.000 0.217 268 A C 2.451 180.057 177.584 0.037 0.000 1.175 268 A CA 1.666 53.728 52.037 0.042 0.000 0.627 268 A CB -1.174 17.821 19.000 -0.009 0.000 0.815 268 A HN 0.539 nan 8.150 nan 0.000 0.443 269 S N -0.118 115.604 115.700 0.036 0.000 2.382 269 S HA -0.056 4.448 4.470 0.057 0.000 0.228 269 S C 2.283 176.912 174.600 0.048 0.000 1.027 269 S CA 1.185 59.406 58.200 0.034 0.000 0.991 269 S CB -0.407 62.808 63.200 0.026 0.000 0.823 269 S HN 0.783 nan 8.310 nan 0.000 0.469 270 A N 1.019 123.882 122.820 0.073 0.000 1.898 270 A HA -0.015 4.340 4.320 0.057 0.000 0.216 270 A C 2.117 179.734 177.584 0.056 0.000 1.181 270 A CA 1.266 53.350 52.037 0.078 0.000 0.620 270 A CB -0.611 18.463 19.000 0.124 0.000 0.819 270 A HN 0.424 nan 8.150 nan 0.000 0.442 271 L N -0.700 120.550 121.223 0.044 0.000 2.044 271 L HA 0.023 4.397 4.340 0.057 0.000 0.205 271 L C 2.084 178.970 176.870 0.027 0.000 1.075 271 L CA 1.703 56.525 54.840 -0.030 0.000 0.747 271 L CB -0.216 41.770 42.059 -0.121 0.000 0.903 271 L HN 0.373 nan 8.230 nan 0.000 0.435 272 L N -1.230 120.001 121.223 0.013 0.000 2.463 272 L HA 0.391 4.766 4.340 0.057 0.000 0.219 272 L C 1.206 178.127 176.870 0.085 0.000 1.088 272 L CA 0.201 55.061 54.840 0.033 0.000 0.849 272 L CB -0.721 41.302 42.059 -0.059 0.000 1.012 272 L HN 0.428 nan 8.230 nan 0.000 0.468 273 G N 1.572 110.408 108.800 0.060 0.000 2.828 273 G HA2 -0.289 3.705 3.960 0.057 0.000 0.463 273 G HA3 -0.289 3.705 3.960 0.057 0.000 0.463 273 G C 0.112 175.042 174.900 0.049 0.000 1.394 273 G CA 0.005 45.139 45.100 0.057 0.000 0.862 273 G HN 0.406 nan 8.290 nan 0.000 0.540 274 I N -2.755 117.841 120.570 0.043 0.000 4.009 274 I HA 0.511 4.715 4.170 0.057 0.000 0.331 274 I C 0.794 176.932 176.117 0.034 0.000 1.462 274 I CA -0.650 60.671 61.300 0.034 0.000 1.117 274 I CB 0.198 38.212 38.000 0.024 0.000 1.091 274 I HN 0.351 nan 8.210 nan 0.000 0.410 275 R N 1.942 122.468 120.500 0.044 0.000 2.459 275 R HA 0.450 4.824 4.340 0.057 0.000 0.281 275 R C 0.539 176.867 176.300 0.047 0.000 1.050 275 R CA -0.194 55.929 56.100 0.039 0.000 1.055 275 R CB 1.277 31.605 30.300 0.046 0.000 1.045 275 R HN 0.467 nan 8.270 nan 0.000 0.495 276 S N 2.262 117.966 115.700 0.008 0.000 2.603 276 S HA 0.030 4.534 4.470 0.057 0.000 0.268 276 S C 1.347 175.962 174.600 0.024 0.000 1.317 276 S CA -0.902 57.285 58.200 -0.022 0.000 1.012 276 S CB 0.509 63.617 63.200 -0.153 0.000 0.926 276 S HN 0.920 nan 8.310 nan 0.000 0.539 277 W N 1.411 122.715 121.300 0.006 0.000 2.363 277 W HA -0.176 4.518 4.660 0.057 0.000 0.296 277 W C 1.074 177.560 176.519 -0.054 0.000 1.212 277 W CA 1.193 58.555 57.345 0.028 0.000 1.260 277 W CB -1.115 28.402 29.460 0.095 0.000 1.131 277 W HN 0.662 nan 8.180 nan 0.000 0.530 278 Q N 1.194 120.453 119.800 -0.901 0.000 2.079 278 Q HA -0.116 4.259 4.340 0.057 0.000 0.200 278 Q C 2.376 178.210 176.000 -0.276 0.000 0.974 278 Q CA 3.224 58.431 55.803 -0.993 0.000 0.840 278 Q CB -0.987 27.122 28.738 -1.050 0.000 0.898 278 Q HN 0.147 nan 8.270 nan 0.000 0.430 279 T N 0.556 115.018 114.554 -0.154 0.000 2.684 279 T HA -0.182 4.202 4.350 0.057 0.000 0.267 279 T C 1.686 176.415 174.700 0.047 0.000 1.036 279 T CA 1.549 63.637 62.100 -0.020 0.000 1.148 279 T CB -0.172 68.689 68.868 -0.012 0.000 0.863 279 T HN 0.252 nan 8.240 nan 0.000 0.436 280 R N 0.939 121.484 120.500 0.076 0.000 2.073 280 R HA 0.028 4.403 4.340 0.057 0.000 0.234 280 R C 2.835 179.229 176.300 0.156 0.000 1.134 280 R CA 1.325 57.502 56.100 0.130 0.000 0.952 280 R CB -0.515 29.892 30.300 0.179 0.000 0.850 280 R HN 0.362 nan 8.270 nan 0.000 0.433 281 A N 1.195 124.127 122.820 0.186 0.000 1.972 281 A HA -0.108 4.247 4.320 0.057 0.000 0.219 281 A C 2.127 179.871 177.584 0.266 0.000 1.169 281 A CA 1.104 53.289 52.037 0.247 0.000 0.635 281 A CB -0.493 18.674 19.000 0.278 0.000 0.810 281 A HN 0.196 nan 8.150 nan 0.000 0.446 282 L N -0.518 120.853 121.223 0.246 0.000 2.362 282 L HA -0.124 4.250 4.340 0.057 0.000 0.219 282 L C 2.220 179.171 176.870 0.134 0.000 1.134 282 L CA 0.430 55.395 54.840 0.209 0.000 0.807 282 L CB -0.400 41.765 42.059 0.175 0.000 0.927 282 L HN 0.394 nan 8.230 nan 0.000 0.447 283 L N -0.557 120.737 121.223 0.119 0.000 2.131 283 L HA -0.219 4.155 4.340 0.057 0.000 0.210 283 L C 2.381 179.304 176.870 0.088 0.000 1.092 283 L CA 1.151 56.047 54.840 0.092 0.000 0.759 283 L CB -0.366 41.743 42.059 0.082 0.000 0.903 283 L HN 0.244 nan 8.230 nan 0.000 0.435 284 I N -0.000 120.633 120.570 0.105 0.000 2.127 284 I HA -0.343 3.861 4.170 0.057 0.000 0.241 284 I C 2.706 178.872 176.117 0.081 0.000 1.075 284 I CA 1.517 62.871 61.300 0.091 0.000 1.334 284 I CB -0.389 37.676 38.000 0.108 0.000 1.040 284 I HN 0.224 nan 8.210 nan 0.000 0.405 285 K N 1.344 121.797 120.400 0.089 0.000 2.057 285 K HA -0.204 4.151 4.320 0.057 0.000 0.207 285 K C 2.224 178.856 176.600 0.054 0.000 1.049 285 K CA 1.546 57.868 56.287 0.059 0.000 0.931 285 K CB -0.140 32.388 32.500 0.047 0.000 0.714 285 K HN 0.310 nan 8.250 nan 0.000 0.440 286 A N 1.304 124.162 122.820 0.065 0.000 1.902 286 A HA -0.138 4.217 4.320 0.057 0.000 0.217 286 A C 2.117 179.750 177.584 0.080 0.000 1.181 286 A CA 1.375 53.450 52.037 0.063 0.000 0.623 286 A CB -0.610 18.429 19.000 0.065 0.000 0.818 286 A HN 0.334 nan 8.150 nan 0.000 0.443 287 L N -0.673 120.606 121.223 0.093 0.000 2.093 287 L HA -0.148 4.226 4.340 0.057 0.000 0.208 287 L C 2.448 179.395 176.870 0.127 0.000 1.085 287 L CA 0.979 55.904 54.840 0.143 0.000 0.755 287 L CB -0.493 41.634 42.059 0.114 0.000 0.904 287 L HN 0.384 nan 8.230 nan 0.000 0.435 288 I N -0.031 120.581 120.570 0.070 0.000 2.163 288 I HA -0.325 3.880 4.170 0.057 0.000 0.243 288 I C 2.049 178.168 176.117 0.004 0.000 1.085 288 I CA 1.343 62.663 61.300 0.032 0.000 1.347 288 I CB -0.399 37.613 38.000 0.021 0.000 1.044 288 I HN 0.267 nan 8.210 nan 0.000 0.408 289 D N 0.348 120.756 120.400 0.013 0.000 2.178 289 D HA -0.158 4.516 4.640 0.057 0.000 0.201 289 D C 2.198 178.483 176.300 -0.025 0.000 0.980 289 D CA 0.950 54.947 54.000 -0.006 0.000 0.842 289 D CB -0.241 40.563 40.800 0.006 0.000 0.948 289 D HN 0.417 nan 8.370 nan 0.000 0.472 290 Q N -0.630 119.166 119.800 -0.006 0.000 2.435 290 Q HA 0.085 4.460 4.340 0.057 0.000 0.207 290 Q C 1.251 177.068 176.000 -0.304 0.000 0.956 290 Q CA 1.006 56.777 55.803 -0.054 0.000 0.917 290 Q CB 0.721 29.541 28.738 0.137 0.000 0.997 290 Q HN 0.381 nan 8.270 nan 0.000 0.497 291 G N 0.122 108.752 108.800 -0.283 0.000 2.168 291 G HA2 -0.226 3.768 3.960 0.057 0.000 0.197 291 G HA3 -0.226 3.768 3.960 0.057 0.000 0.197 291 G C 0.019 174.667 174.900 -0.419 0.000 0.997 291 G CA -0.292 44.587 45.100 -0.369 0.000 0.658 291 G HN 0.312 nan 8.290 nan 0.000 0.513 292 Y N 1.325 121.618 120.300 -0.011 0.000 2.683 292 Y HA 0.330 4.915 4.550 0.058 0.000 0.297 292 Y C 2.633 178.520 175.900 -0.021 0.000 1.147 292 Y CA 0.301 58.392 58.100 -0.016 0.000 1.274 292 Y CB -0.428 38.022 38.460 -0.016 0.000 1.143 292 Y HN 0.504 nan 8.280 nan 0.000 0.527 293 M N -0.770 118.866 119.600 0.060 0.000 2.202 293 M HA -0.248 4.267 4.480 0.057 0.000 0.262 293 M C 1.949 178.265 176.300 0.026 0.000 1.063 293 M CA 1.980 57.301 55.300 0.035 0.000 1.097 293 M CB -0.490 32.112 32.600 0.003 0.000 1.382 293 M HN 0.211 nan 8.290 nan 0.000 0.413 294 K N 0.349 120.767 120.400 0.030 0.000 2.280 294 K HA -0.113 4.241 4.320 0.057 0.000 0.202 294 K C 1.569 178.177 176.600 0.014 0.000 1.047 294 K CA 1.112 57.410 56.287 0.017 0.000 0.942 294 K CB 0.138 32.649 32.500 0.019 0.000 0.739 294 K HN 0.462 nan 8.250 nan 0.000 0.457 295 Q N 0.144 119.968 119.800 0.039 0.000 2.360 295 Q HA 0.170 4.545 4.340 0.057 0.000 0.202 295 Q C 0.110 176.084 176.000 -0.044 0.000 0.915 295 Q CA 0.285 56.089 55.803 0.002 0.000 0.943 295 Q CB 0.426 29.177 28.738 0.022 0.000 1.064 295 Q HN 0.340 nan 8.270 nan 0.000 0.511 296 I N 1.489 122.038 120.570 -0.034 0.000 2.353 296 I HA 0.243 4.447 4.170 0.057 0.000 0.293 296 I C -0.276 175.788 176.117 -0.088 0.000 0.992 296 I CA -0.445 60.826 61.300 -0.050 0.000 1.268 296 I CB 0.952 38.945 38.000 -0.012 0.000 1.387 296 I HN -0.145 nan 8.210 nan 0.000 0.478 297 L N 6.718 127.874 121.223 -0.113 0.000 2.365 297 L HA 0.655 5.030 4.340 0.057 0.000 0.273 297 L C -0.764 176.067 176.870 -0.065 0.000 1.000 297 L CA -0.901 53.866 54.840 -0.121 0.000 0.819 297 L CB 2.232 44.164 42.059 -0.211 0.000 1.284 297 L HN 0.264 nan 8.230 nan 0.000 0.418 298 V N 1.502 121.395 119.914 -0.035 0.000 2.680 298 V HA 0.743 4.898 4.120 0.057 0.000 0.309 298 V C -0.247 175.885 176.094 0.062 0.000 1.052 298 V CA -0.238 62.073 62.300 0.019 0.000 0.908 298 V CB 2.019 33.858 31.823 0.028 0.000 1.001 298 V HN 0.863 nan 8.190 nan 0.000 0.431 299 S N 1.578 117.341 115.700 0.105 0.000 2.703 299 S HA 0.430 4.934 4.470 0.057 0.000 0.273 299 S C 0.078 174.803 174.600 0.207 0.000 1.178 299 S CA -0.590 57.708 58.200 0.162 0.000 0.838 299 S CB 1.830 65.134 63.200 0.173 0.000 1.178 299 S HN 0.783 nan 8.310 nan 0.000 0.494 300 N N 0.797 119.655 118.700 0.265 0.000 2.348 300 N HA 0.077 4.851 4.740 0.057 0.000 0.183 300 N C -0.652 175.142 175.510 0.473 0.000 1.094 300 N CA 0.273 53.533 53.050 0.351 0.000 0.885 300 N CB 0.033 38.717 38.487 0.328 0.000 1.065 300 N HN 0.726 nan 8.380 nan 0.000 0.472 301 D N 0.243 120.890 120.400 0.410 0.000 2.689 301 D HA -0.190 4.484 4.640 0.057 0.000 0.237 301 D C -0.456 176.178 176.300 0.558 0.000 1.148 301 D CA 0.379 54.674 54.000 0.492 0.000 0.656 301 D CB -1.053 39.955 40.800 0.347 0.000 1.050 301 D HN 0.378 nan 8.370 nan 0.000 0.426 302 W N -0.528 120.890 121.300 0.197 0.000 2.166 302 W HA 0.520 5.218 4.660 0.064 0.000 0.364 302 W C 0.759 177.231 176.519 -0.078 0.000 1.344 302 W CA 0.003 57.368 57.345 0.033 0.000 1.471 302 W CB 1.545 30.962 29.460 -0.072 0.000 1.220 302 W HN 0.083 nan 8.180 nan 0.000 0.666 303 T N 0.408 114.592 114.554 -0.616 0.000 2.786 303 T HA 0.337 4.721 4.350 0.057 0.000 0.316 303 T C -0.381 173.894 174.700 -0.709 0.000 1.503 303 T CA -0.479 61.291 62.100 -0.551 0.000 1.019 303 T CB 0.621 69.230 68.868 -0.432 0.000 1.415 303 T HN 0.188 nan 8.240 nan 0.000 0.496 304 F N 0.768 120.736 119.950 0.029 0.000 2.727 304 F HA 0.538 5.099 4.527 0.056 0.000 0.302 304 F C 1.405 177.258 175.800 0.089 0.000 1.107 304 F CA -0.082 57.962 58.000 0.074 0.000 1.277 304 F CB 0.957 40.005 39.000 0.080 0.000 1.079 304 F HN 0.627 nan 8.300 nan 0.000 0.594 305 G N -0.520 108.398 108.800 0.196 0.000 2.612 305 G HA2 0.531 4.525 3.960 0.057 0.000 0.298 305 G HA3 0.531 4.525 3.960 0.057 0.000 0.298 305 G C -2.153 172.956 174.900 0.348 0.000 1.336 305 G CA -0.440 44.861 45.100 0.334 0.000 0.953 305 G HN -0.161 nan 8.290 nan 0.000 0.482 306 F N 1.969 122.105 119.950 0.310 0.000 2.991 306 F HA 0.437 4.995 4.527 0.051 0.000 0.355 306 F C 0.650 176.536 175.800 0.142 0.000 1.262 306 F CA -1.514 56.553 58.000 0.111 0.000 1.127 306 F CB 1.848 40.830 39.000 -0.030 0.000 1.447 306 F HN 0.495 nan 8.300 nan 0.000 0.584 307 S N 0.621 116.504 115.700 0.305 0.000 2.540 307 S HA 0.049 4.553 4.470 0.057 0.000 0.222 307 S C 1.109 175.502 174.600 -0.344 0.000 1.008 307 S CA 0.555 58.545 58.200 -0.351 0.000 0.939 307 S CB -0.087 62.471 63.200 -1.069 0.000 0.865 307 S HN 0.489 nan 8.310 nan 0.000 0.499 308 S N -0.016 115.701 115.700 0.029 0.000 2.660 308 S HA 0.376 4.881 4.470 0.057 0.000 0.227 308 S C -0.099 174.643 174.600 0.237 0.000 0.948 308 S CA -0.491 57.747 58.200 0.063 0.000 0.948 308 S CB -0.547 62.727 63.200 0.124 0.000 0.779 308 S HN 0.589 nan 8.310 nan 0.000 0.487 309 Y N 0.886 121.138 120.300 -0.081 0.000 3.286 309 Y HA 0.561 5.143 4.550 0.052 0.000 0.270 309 Y C -0.346 175.446 175.900 -0.180 0.000 2.084 309 Y CA -1.456 56.549 58.100 -0.158 0.000 1.003 309 Y CB 0.616 38.884 38.460 -0.319 0.000 1.695 309 Y HN 0.113 nan 8.280 nan 0.000 0.495 310 V N 0.632 120.201 119.914 -0.575 0.000 2.843 310 V HA 0.168 4.323 4.120 0.057 0.000 0.305 310 V C 0.864 176.824 176.094 -0.223 0.000 1.065 310 V CA 0.526 62.570 62.300 -0.426 0.000 1.116 310 V CB 0.497 32.004 31.823 -0.527 0.000 0.968 310 V HN 0.870 nan 8.190 nan 0.000 0.487 311 T N 3.126 117.606 114.554 -0.125 0.000 2.665 311 T HA -0.167 4.218 4.350 0.057 0.000 0.268 311 T C 1.341 175.957 174.700 -0.139 0.000 1.035 311 T CA 2.433 64.507 62.100 -0.045 0.000 1.151 311 T CB -0.500 68.316 68.868 -0.087 0.000 0.862 311 T HN 1.043 nan 8.240 nan 0.000 0.438 312 N N 0.904 119.505 118.700 -0.166 0.000 2.320 312 N HA 0.092 4.867 4.740 0.057 0.000 0.237 312 N C 1.166 176.585 175.510 -0.153 0.000 1.129 312 N CA -0.187 52.769 53.050 -0.158 0.000 0.854 312 N CB -0.425 37.982 38.487 -0.134 0.000 1.083 312 N HN 0.223 nan 8.380 nan 0.000 0.504 313 I N 0.602 121.045 120.570 -0.211 0.000 2.335 313 I HA -0.154 4.050 4.170 0.057 0.000 0.251 313 I C 2.127 178.125 176.117 -0.199 0.000 1.129 313 I CA 0.929 62.078 61.300 -0.252 0.000 1.402 313 I CB -0.123 37.613 38.000 -0.440 0.000 1.069 313 I HN 0.185 nan 8.210 nan 0.000 0.424 314 M N 0.376 119.901 119.600 -0.126 0.000 2.108 314 M HA -0.236 4.278 4.480 0.057 0.000 0.261 314 M C 1.663 177.949 176.300 -0.024 0.000 1.066 314 M CA 1.943 57.222 55.300 -0.035 0.000 1.107 314 M CB -0.602 32.038 32.600 0.068 0.000 1.356 314 M HN 0.229 nan 8.290 nan 0.000 0.406 315 D N -0.774 119.608 120.400 -0.030 0.000 2.117 315 D HA -0.110 4.564 4.640 0.057 0.000 0.198 315 D C 2.155 178.451 176.300 -0.005 0.000 0.982 315 D CA 1.458 55.455 54.000 -0.005 0.000 0.828 315 D CB -0.517 40.267 40.800 -0.026 0.000 0.967 315 D HN 0.294 nan 8.370 nan 0.000 0.464 316 V N 1.164 121.053 119.914 -0.042 0.000 2.295 316 V HA -0.263 3.892 4.120 0.057 0.000 0.246 316 V C 2.558 178.642 176.094 -0.017 0.000 1.049 316 V CA 1.436 63.714 62.300 -0.038 0.000 1.024 316 V CB -0.451 31.332 31.823 -0.066 0.000 0.648 316 V HN 0.187 nan 8.190 nan 0.000 0.447 317 M N -0.339 119.232 119.600 -0.049 0.000 2.108 317 M HA -0.203 4.312 4.480 0.057 0.000 0.261 317 M C 1.971 178.431 176.300 0.266 0.000 1.066 317 M CA 1.886 57.179 55.300 -0.010 0.000 1.107 317 M CB -0.637 31.756 32.600 -0.345 0.000 1.356 317 M HN 0.316 nan 8.290 nan 0.000 0.406 318 D N -0.241 120.293 120.400 0.224 0.000 2.178 318 D HA -0.141 4.533 4.640 0.057 0.000 0.201 318 D C 2.018 178.404 176.300 0.144 0.000 0.980 318 D CA 0.832 54.997 54.000 0.275 0.000 0.842 318 D CB -0.439 40.487 40.800 0.210 0.000 0.948 318 D HN 0.256 nan 8.370 nan 0.000 0.472 319 R N 1.212 121.764 120.500 0.086 0.000 2.115 319 R HA -0.069 4.305 4.340 0.057 0.000 0.230 319 R C 1.846 178.167 176.300 0.034 0.000 1.111 319 R CA 0.689 56.816 56.100 0.045 0.000 0.976 319 R CB -0.520 29.795 30.300 0.025 0.000 0.870 319 R HN 0.068 nan 8.270 nan 0.000 0.445 320 V N 1.316 121.258 119.914 0.045 0.000 2.379 320 V HA -0.142 4.013 4.120 0.057 0.000 0.245 320 V C 0.866 176.929 176.094 -0.052 0.000 1.044 320 V CA 1.728 64.036 62.300 0.014 0.000 1.036 320 V CB -0.567 31.268 31.823 0.021 0.000 0.664 320 V HN 0.372 nan 8.190 nan 0.000 0.453 321 N N -0.451 118.212 118.700 -0.063 0.000 2.727 321 N HA 0.277 5.051 4.740 0.057 0.000 0.252 321 N C -2.227 173.149 175.510 -0.223 0.000 1.283 321 N CA -1.646 51.217 53.050 -0.311 0.000 0.782 321 N CB 1.664 39.695 38.487 -0.759 0.000 1.199 321 N HN -0.013 nan 8.380 nan 0.000 0.520 322 P HA -0.036 nan 4.420 nan 0.000 0.222 322 P C 0.316 177.566 177.300 -0.083 0.000 1.147 322 P CA 0.923 63.997 63.100 -0.045 0.000 0.790 322 P CB 0.361 32.051 31.700 -0.017 0.000 0.780 323 D N -1.133 119.176 120.400 -0.151 0.000 2.312 323 D HA -0.006 4.668 4.640 0.057 0.000 0.211 323 D C 1.654 177.816 176.300 -0.230 0.000 0.964 323 D CA 1.266 55.185 54.000 -0.135 0.000 0.877 323 D CB -0.317 40.439 40.800 -0.073 0.000 0.924 323 D HN 0.092 nan 8.370 nan 0.000 0.515 324 G N 1.627 110.107 108.800 -0.532 0.000 2.611 324 G HA2 -0.408 3.587 3.960 0.057 0.000 0.301 324 G HA3 -0.408 3.587 3.960 0.057 0.000 0.301 324 G C 1.062 175.552 174.900 -0.684 0.000 1.233 324 G CA 0.591 45.128 45.100 -0.937 0.000 0.993 324 G HN 0.257 nan 8.290 nan 0.000 0.553 325 M N 1.125 120.584 119.600 -0.236 0.000 2.460 325 M HA 0.084 4.598 4.480 0.057 0.000 0.263 325 M C 2.743 179.036 176.300 -0.011 0.000 1.071 325 M CA 1.606 56.895 55.300 -0.019 0.000 1.096 325 M CB -0.219 32.469 32.600 0.147 0.000 1.408 325 M HN 0.701 nan 8.290 nan 0.000 0.463 326 A N -0.407 122.383 122.820 -0.051 0.000 2.235 326 A HA -0.080 4.274 4.320 0.057 0.000 0.208 326 A C 1.767 179.302 177.584 -0.082 0.000 1.172 326 A CA 0.328 52.322 52.037 -0.072 0.000 0.786 326 A CB -0.881 18.075 19.000 -0.073 0.000 0.804 326 A HN 0.513 nan 8.150 nan 0.000 0.479 327 F N 0.849 120.653 119.950 -0.244 0.000 2.102 327 F HA -0.207 4.355 4.527 0.058 0.000 0.298 327 F C 1.850 177.533 175.800 -0.194 0.000 1.105 327 F CA 1.515 59.341 58.000 -0.289 0.000 1.239 327 F CB -0.070 38.691 39.000 -0.399 0.000 0.991 327 F HN 0.187 nan 8.300 nan 0.000 0.474 328 I N 1.866 122.355 120.570 -0.135 0.000 2.099 328 I HA -0.216 3.988 4.170 0.057 0.000 0.239 328 I C -0.251 175.807 176.117 -0.098 0.000 1.066 328 I CA 1.859 63.096 61.300 -0.106 0.000 1.324 328 I CB -2.941 35.140 38.000 0.136 0.000 1.037 328 I HN 0.130 nan 8.210 nan 0.000 0.401 329 P HA -0.085 nan 4.420 nan 0.000 0.220 329 P C 2.213 179.444 177.300 -0.116 0.000 1.152 329 P CA 1.386 64.451 63.100 -0.058 0.000 0.812 329 P CB 0.053 31.586 31.700 -0.279 0.000 0.792 330 L N -1.488 119.626 121.223 -0.181 0.000 2.209 330 L HA 0.025 4.399 4.340 0.057 0.000 0.207 330 L C 2.718 179.463 176.870 -0.210 0.000 1.094 330 L CA 0.998 55.739 54.840 -0.165 0.000 0.790 330 L CB -0.318 41.653 42.059 -0.146 0.000 0.932 330 L HN -0.103 nan 8.230 nan 0.000 0.447 331 R N -1.149 119.105 120.500 -0.410 0.000 2.144 331 R HA 0.147 4.522 4.340 0.057 0.000 0.195 331 R C 2.103 178.155 176.300 -0.413 0.000 1.077 331 R CA 0.590 56.371 56.100 -0.531 0.000 1.120 331 R CB -0.534 29.164 30.300 -1.003 0.000 1.060 331 R HN 0.057 nan 8.270 nan 0.000 0.520 332 V N 2.094 121.674 119.914 -0.556 0.000 2.379 332 V HA -0.110 4.045 4.120 0.057 0.000 0.245 332 V C 2.475 178.626 176.094 0.094 0.000 1.044 332 V CA 1.453 63.653 62.300 -0.167 0.000 1.036 332 V CB -0.425 31.280 31.823 -0.198 0.000 0.664 332 V HN 0.117 nan 8.190 nan 0.000 0.453 333 I N 0.199 120.787 120.570 0.030 0.000 2.142 333 I HA -0.151 4.053 4.170 0.057 0.000 0.240 333 I C -0.165 176.008 176.117 0.095 0.000 1.078 333 I CA 1.763 63.113 61.300 0.083 0.000 1.343 333 I CB -1.339 36.719 38.000 0.096 0.000 1.046 333 I HN 0.359 nan 8.210 nan 0.000 0.405 334 P HA -0.199 nan 4.420 nan 0.000 0.218 334 P C 1.662 179.052 177.300 0.149 0.000 1.149 334 P CA 1.350 64.502 63.100 0.088 0.000 0.817 334 P CB -0.119 31.618 31.700 0.063 0.000 0.785 335 F N 0.330 120.327 119.950 0.078 0.000 2.102 335 F HA -0.161 4.401 4.527 0.058 0.000 0.298 335 F C 1.886 177.738 175.800 0.086 0.000 1.105 335 F CA 1.519 59.600 58.000 0.135 0.000 1.239 335 F CB -0.888 38.292 39.000 0.300 0.000 0.991 335 F HN -0.259 nan 8.300 nan 0.000 0.474 336 L N 0.004 121.304 121.223 0.129 0.000 2.093 336 L HA -0.160 4.215 4.340 0.057 0.000 0.208 336 L C 2.678 179.506 176.870 -0.070 0.000 1.085 336 L CA 1.063 55.890 54.840 -0.021 0.000 0.755 336 L CB -0.642 41.484 42.059 0.111 0.000 0.904 336 L HN 0.063 nan 8.230 nan 0.000 0.435 337 R N 0.215 120.705 120.500 -0.017 0.000 2.091 337 R HA -0.196 4.178 4.340 0.057 0.000 0.238 337 R C 2.080 178.342 176.300 -0.063 0.000 1.136 337 R CA 1.482 57.566 56.100 -0.026 0.000 0.959 337 R CB -0.329 29.973 30.300 0.003 0.000 0.856 337 R HN 0.467 nan 8.270 nan 0.000 0.437 338 E N 0.344 120.491 120.200 -0.089 0.000 2.204 338 E HA -0.120 4.265 4.350 0.057 0.000 0.195 338 E C 1.418 177.918 176.600 -0.167 0.000 0.990 338 E CA 0.791 57.125 56.400 -0.109 0.000 0.821 338 E CB 0.214 29.853 29.700 -0.102 0.000 0.750 338 E HN 0.079 nan 8.360 nan 0.000 0.477 339 K N -0.670 119.578 120.400 -0.253 0.000 2.487 339 K HA 0.064 4.418 4.320 0.057 0.000 0.192 339 K C 1.038 177.559 176.600 -0.131 0.000 1.027 339 K CA 0.764 56.907 56.287 -0.239 0.000 1.054 339 K CB 0.941 33.228 32.500 -0.354 0.000 0.824 339 K HN 0.279 nan 8.250 nan 0.000 0.510 340 G N 0.645 109.386 108.800 -0.097 0.000 2.179 340 G HA2 -0.226 3.768 3.960 0.057 0.000 0.220 340 G HA3 -0.226 3.768 3.960 0.057 0.000 0.220 340 G C 0.097 174.971 174.900 -0.044 0.000 0.990 340 G CA -0.038 45.026 45.100 -0.060 0.000 0.646 340 G HN 0.097 nan 8.290 nan 0.000 0.517 341 V N 2.354 122.242 119.914 -0.044 0.000 2.508 341 V HA 0.362 4.516 4.120 0.057 0.000 0.281 341 V C -1.271 174.815 176.094 -0.014 0.000 1.041 341 V CA -1.074 61.213 62.300 -0.022 0.000 1.016 341 V CB 0.994 32.811 31.823 -0.010 0.000 0.984 341 V HN 0.150 nan 8.190 nan 0.000 0.478 342 P HA 0.065 nan 4.420 nan 0.000 0.268 342 P C 0.549 177.849 177.300 0.000 0.000 1.205 342 P CA -0.084 63.012 63.100 -0.007 0.000 0.771 342 P CB 0.594 32.289 31.700 -0.008 0.000 0.858 343 Q N 2.441 122.244 119.800 0.005 0.000 2.135 343 Q HA -0.252 4.122 4.340 0.057 0.000 0.204 343 Q C 1.304 177.310 176.000 0.010 0.000 0.981 343 Q CA 2.051 57.862 55.803 0.014 0.000 0.856 343 Q CB -0.529 28.220 28.738 0.018 0.000 0.902 343 Q HN 0.408 nan 8.270 nan 0.000 0.425 344 E N -1.045 119.157 120.200 0.003 0.000 2.153 344 E HA -0.123 4.262 4.350 0.057 0.000 0.194 344 E C 1.910 178.506 176.600 -0.008 0.000 0.988 344 E CA 1.703 58.103 56.400 -0.001 0.000 0.811 344 E CB -0.286 29.412 29.700 -0.003 0.000 0.746 344 E HN 0.384 nan 8.360 nan 0.000 0.466 345 T N 0.805 115.354 114.554 -0.008 0.000 2.777 345 T HA -0.074 4.311 4.350 0.057 0.000 0.266 345 T C 1.831 176.521 174.700 -0.017 0.000 1.040 345 T CA 0.839 62.932 62.100 -0.012 0.000 1.141 345 T CB -0.202 68.660 68.868 -0.009 0.000 0.868 345 T HN 0.080 nan 8.240 nan 0.000 0.444 346 L N 0.801 122.018 121.223 -0.010 0.000 2.093 346 L HA -0.029 4.345 4.340 0.057 0.000 0.208 346 L C 3.035 179.874 176.870 -0.052 0.000 1.085 346 L CA 1.056 55.886 54.840 -0.017 0.000 0.755 346 L CB -0.673 41.394 42.059 0.014 0.000 0.904 346 L HN 0.235 nan 8.230 nan 0.000 0.435 347 A N 0.440 123.241 122.820 -0.033 0.000 1.930 347 A HA -0.086 4.269 4.320 0.057 0.000 0.217 347 A C 2.430 179.970 177.584 -0.074 0.000 1.175 347 A CA 1.547 53.553 52.037 -0.050 0.000 0.627 347 A CB -1.171 17.826 19.000 -0.004 0.000 0.815 347 A HN 0.424 nan 8.150 nan 0.000 0.443 348 G N 0.169 108.939 108.800 -0.050 0.000 2.440 348 G HA2 -0.217 3.777 3.960 0.057 0.000 0.218 348 G HA3 -0.217 3.777 3.960 0.057 0.000 0.218 348 G C 1.510 176.368 174.900 -0.070 0.000 1.154 348 G CA 1.210 46.281 45.100 -0.048 0.000 0.767 348 G HN 0.486 nan 8.290 nan 0.000 0.552 349 I N 1.290 121.811 120.570 -0.082 0.000 2.252 349 I HA -0.123 4.081 4.170 0.057 0.000 0.245 349 I C 3.004 179.022 176.117 -0.165 0.000 1.102 349 I CA 1.733 62.976 61.300 -0.096 0.000 1.385 349 I CB -0.205 37.754 38.000 -0.070 0.000 1.064 349 I HN 0.325 nan 8.210 nan 0.000 0.414 350 T N -3.148 111.242 114.554 -0.273 0.000 3.065 350 T HA 0.155 4.539 4.350 0.057 0.000 0.252 350 T C 1.354 175.781 174.700 -0.455 0.000 1.099 350 T CA 0.319 62.099 62.100 -0.533 0.000 1.063 350 T CB 0.217 68.431 68.868 -1.090 0.000 0.948 350 T HN 0.110 nan 8.240 nan 0.000 0.506 351 V N 0.654 120.423 119.914 -0.241 0.000 3.054 351 V HA 0.070 4.224 4.120 0.057 0.000 0.227 351 V C 2.735 178.795 176.094 -0.058 0.000 1.252 351 V CA 1.000 63.231 62.300 -0.116 0.000 1.279 351 V CB -0.306 31.483 31.823 -0.057 0.000 1.118 351 V HN 0.342 nan 8.190 nan 0.000 0.504 352 T N 1.126 115.649 114.554 -0.051 0.000 2.737 352 T HA -0.120 4.264 4.350 0.057 0.000 0.265 352 T C 1.788 176.479 174.700 -0.016 0.000 1.038 352 T CA 1.804 63.889 62.100 -0.026 0.000 1.144 352 T CB -0.307 68.547 68.868 -0.023 0.000 0.866 352 T HN 0.321 nan 8.240 nan 0.000 0.434 353 N N 1.477 120.160 118.700 -0.029 0.000 2.120 353 N HA -0.033 4.742 4.740 0.057 0.000 0.188 353 N C -0.998 174.526 175.510 0.022 0.000 1.024 353 N CA 1.107 54.148 53.050 -0.015 0.000 0.852 353 N CB -1.497 36.961 38.487 -0.048 0.000 1.003 353 N HN 0.327 nan 8.380 nan 0.000 0.424 354 P HA -0.021 nan 4.420 nan 0.000 0.217 354 P C 1.064 178.424 177.300 0.100 0.000 1.150 354 P CA 1.427 64.573 63.100 0.076 0.000 0.832 354 P CB -0.037 31.681 31.700 0.030 0.000 0.787 355 A N -0.109 122.738 122.820 0.044 0.000 1.902 355 A HA -0.208 4.146 4.320 0.057 0.000 0.217 355 A C 2.412 180.013 177.584 0.029 0.000 1.181 355 A CA 1.569 53.621 52.037 0.025 0.000 0.623 355 A CB -1.182 17.822 19.000 0.006 0.000 0.818 355 A HN 0.023 nan 8.150 nan 0.000 0.443 356 R N -1.949 118.578 120.500 0.045 0.000 2.092 356 R HA -0.128 4.246 4.340 0.057 0.000 0.231 356 R C 1.901 178.254 176.300 0.088 0.000 1.119 356 R CA 1.616 57.743 56.100 0.045 0.000 0.970 356 R CB -0.362 29.962 30.300 0.040 0.000 0.864 356 R HN 0.502 nan 8.270 nan 0.000 0.440 357 F N 0.865 120.788 119.950 -0.044 0.000 2.113 357 F HA -0.071 4.490 4.527 0.056 0.000 0.297 357 F C 1.674 177.443 175.800 -0.052 0.000 1.103 357 F CA 1.365 59.336 58.000 -0.048 0.000 1.248 357 F CB -0.207 38.768 39.000 -0.042 0.000 0.999 357 F HN -0.045 nan 8.300 nan 0.000 0.475 358 L N -0.853 120.320 121.223 -0.083 0.000 2.179 358 L HA -0.022 4.352 4.340 0.057 0.000 0.208 358 L C 1.354 178.125 176.870 -0.166 0.000 1.096 358 L CA 0.512 55.234 54.840 -0.197 0.000 0.779 358 L CB -0.712 41.305 42.059 -0.069 0.000 0.922 358 L HN -0.018 nan 8.230 nan 0.000 0.443 359 S N 0.640 116.280 115.700 -0.101 0.000 2.515 359 S HA 0.126 4.630 4.470 0.057 0.000 0.285 359 S C -2.163 172.373 174.600 -0.106 0.000 1.265 359 S CA -1.304 56.843 58.200 -0.088 0.000 1.079 359 S CB 0.350 63.517 63.200 -0.056 0.000 0.877 359 S HN -0.106 nan 8.310 nan 0.000 0.493 360 P HA 0.252 nan 4.420 nan 0.000 0.268 360 P C -0.529 176.720 177.300 -0.086 0.000 1.204 360 P CA 0.118 63.153 63.100 -0.107 0.000 0.768 360 P CB 0.970 32.616 31.700 -0.090 0.000 0.842 361 T N 1.636 116.135 114.554 -0.092 0.000 2.831 361 T HA 0.237 4.621 4.350 0.057 0.000 0.333 361 T C 0.301 174.956 174.700 -0.075 0.000 1.684 361 T CA -0.585 61.473 62.100 -0.071 0.000 1.049 361 T CB 0.305 69.136 68.868 -0.062 0.000 1.518 361 T HN 0.082 nan 8.240 nan 0.000 0.491 362 L N 1.310 122.498 121.223 -0.059 0.000 2.529 362 L HA 0.465 4.839 4.340 0.057 0.000 0.223 362 L C 1.229 178.065 176.870 -0.055 0.000 1.113 362 L CA 0.221 55.027 54.840 -0.057 0.000 0.861 362 L CB 0.043 42.077 42.059 -0.042 0.000 1.012 362 L HN 0.414 nan 8.230 nan 0.000 0.461 363 R N 0.583 121.052 120.500 -0.051 0.000 2.658 363 R HA 0.511 4.886 4.340 0.057 0.000 0.287 363 R C -1.082 175.194 176.300 -0.040 0.000 1.209 363 R CA -0.159 55.913 56.100 -0.047 0.000 1.046 363 R CB 1.346 31.623 30.300 -0.039 0.000 1.247 363 R HN 0.001 nan 8.270 nan 0.000 0.405 364 A N 0.000 122.798 122.820 -0.037 0.000 2.254 364 A HA 0.000 4.354 4.320 0.057 0.000 0.244 364 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 364 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486