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 2zqj_1_A DATA FIRST_RESID 6 DATA SEQUENCE PHDKSLDNSL TLLKEGYLFI KNRTERYNSD LFQARLLGKN FICMTGAEAA DATA SEQUENCE KVFYDTDRFQ RQNALPKRVQ KSLFGVNAIQ GMDGSAHIHR KMLFLSLMTP DATA SEQUENCE PHQKRLAELM TEEWKAAVTR WEKADEVVLF EEAKEILCRV ACYWAGVPLK DATA SEQUENCE ETEVKERADD FIDMVDAFGA VGPRHWKGRR ARPRAEEWIE VMIEDARAGL DATA SEQUENCE LKTTSGTALH EMAFHTQEDG SQLDSRMAAI ELINVLRPIV AISYFLVFSA DATA SEQUENCE LALHEHPKYK EWLRSGNSRE REMFVQEVRR YYPFGPFLGA LVKKDFVWNN DATA SEQUENCE CEFKKGTSVL LDLYGTNHDP RLWDHPDEFR PERFAEREEN LFDMIPQGGG DATA SEQUENCE HAEKGHRCPG EGITIEVMKA SLDFLVHQIE YDVPEQSLHY SLARMPSLPE DATA SEQUENCE SGFVMSGIRR K 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.240 177.300 -0.100 0.000 1.155 6 P CA 0.000 63.002 63.100 -0.164 0.000 0.800 6 P CB 0.000 31.542 31.700 -0.264 0.000 0.726 7 H N 1.012 119.896 119.070 -0.309 0.000 3.179 7 H HA 0.229 4.785 4.556 0.001 0.000 0.331 7 H C -1.640 173.617 175.328 -0.118 0.000 1.013 7 H CA -0.347 55.623 56.048 -0.130 0.000 1.430 7 H CB 1.748 31.467 29.762 -0.072 0.000 1.895 7 H HN 0.407 nan 8.280 nan 0.000 0.468 8 D N 4.143 124.573 120.400 0.050 0.000 2.352 8 D HA 0.053 4.693 4.640 0.001 0.000 0.245 8 D C 0.883 177.381 176.300 0.329 0.000 1.224 8 D CA -0.110 54.025 54.000 0.226 0.000 0.879 8 D CB 0.862 41.832 40.800 0.284 0.000 1.057 8 D HN 0.434 nan 8.370 nan 0.000 0.491 9 K N 1.722 122.324 120.400 0.336 0.000 2.487 9 K HA 0.036 4.356 4.320 0.001 0.000 0.192 9 K C 0.331 177.035 176.600 0.174 0.000 1.027 9 K CA -0.033 56.413 56.287 0.265 0.000 1.054 9 K CB 0.190 32.751 32.500 0.103 0.000 0.824 9 K HN 0.326 nan 8.250 nan 0.000 0.510 10 S N 0.613 116.409 115.700 0.161 0.000 2.563 10 S HA -0.004 4.466 4.470 0.001 0.000 0.269 10 S C 0.623 175.291 174.600 0.112 0.000 1.364 10 S CA 0.174 58.446 58.200 0.120 0.000 1.010 10 S CB 0.464 63.736 63.200 0.120 0.000 0.877 10 S HN 0.212 nan 8.310 nan 0.000 0.549 11 L N 2.478 123.749 121.223 0.081 0.000 2.784 11 L HA 0.348 4.689 4.340 0.001 0.000 0.241 11 L C -0.331 176.568 176.870 0.049 0.000 1.352 11 L CA -0.122 54.758 54.840 0.066 0.000 0.911 11 L CB -0.160 41.930 42.059 0.053 0.000 1.227 11 L HN 0.764 nan 8.230 nan 0.000 0.501 12 D N -2.610 117.821 120.400 0.052 0.000 4.090 12 D HA -0.111 4.529 4.640 0.001 0.000 0.202 12 D C 0.300 176.615 176.300 0.024 0.000 0.953 12 D CA -0.258 53.758 54.000 0.027 0.000 0.737 12 D CB -1.050 39.765 40.800 0.024 0.000 1.711 12 D HN 0.193 nan 8.370 nan 0.000 0.406 13 N N 0.554 119.286 118.700 0.053 0.000 2.137 13 N HA -0.165 4.575 4.740 0.001 0.000 0.190 13 N C 1.429 176.869 175.510 -0.117 0.000 1.017 13 N CA 1.785 54.879 53.050 0.074 0.000 0.859 13 N CB 0.052 38.643 38.487 0.173 0.000 1.002 13 N HN 0.090 nan 8.380 nan 0.000 0.428 14 S N 0.934 116.552 115.700 -0.137 0.000 2.365 14 S HA -0.121 4.349 4.470 0.001 0.000 0.225 14 S C 1.922 176.413 174.600 -0.182 0.000 1.039 14 S CA 0.938 59.012 58.200 -0.210 0.000 1.033 14 S CB -0.301 62.816 63.200 -0.140 0.000 0.887 14 S HN 0.271 nan 8.310 nan 0.000 0.447 15 L N 0.883 122.045 121.223 -0.101 0.000 2.093 15 L HA -0.117 4.223 4.340 0.001 0.000 0.208 15 L C 2.658 179.486 176.870 -0.070 0.000 1.085 15 L CA 1.226 56.022 54.840 -0.074 0.000 0.755 15 L CB -1.219 40.819 42.059 -0.035 0.000 0.904 15 L HN 0.349 nan 8.230 nan 0.000 0.435 16 T N 0.485 115.010 114.554 -0.047 0.000 2.708 16 T HA -0.214 4.136 4.350 0.001 0.000 0.266 16 T C 1.842 176.519 174.700 -0.039 0.000 1.037 16 T CA 1.406 63.519 62.100 0.021 0.000 1.146 16 T CB -0.387 68.570 68.868 0.148 0.000 0.865 16 T HN 0.141 nan 8.240 nan 0.000 0.435 17 L N 1.112 122.128 121.223 -0.345 0.000 2.043 17 L HA -0.029 4.311 4.340 0.001 0.000 0.212 17 L C 2.121 178.850 176.870 -0.235 0.000 1.075 17 L CA 1.554 56.004 54.840 -0.650 0.000 0.752 17 L CB -1.047 40.371 42.059 -1.068 0.000 0.891 17 L HN 0.274 nan 8.230 nan 0.000 0.432 18 L N -0.814 120.302 121.223 -0.178 0.000 2.131 18 L HA -0.176 4.165 4.340 0.001 0.000 0.210 18 L C 2.433 179.269 176.870 -0.058 0.000 1.092 18 L CA 1.028 55.802 54.840 -0.110 0.000 0.759 18 L CB -0.440 41.559 42.059 -0.100 0.000 0.903 18 L HN 0.277 nan 8.230 nan 0.000 0.435 19 K N -0.185 120.199 120.400 -0.028 0.000 2.243 19 K HA -0.045 4.275 4.320 0.001 0.000 0.201 19 K C 1.657 178.278 176.600 0.036 0.000 1.051 19 K CA 0.951 57.242 56.287 0.007 0.000 0.970 19 K CB 0.033 32.544 32.500 0.019 0.000 0.755 19 K HN 0.441 nan 8.250 nan 0.000 0.465 20 E N -0.190 120.053 120.200 0.071 0.000 2.389 20 E HA 0.107 4.457 4.350 0.001 0.000 0.199 20 E C 0.983 177.646 176.600 0.104 0.000 0.978 20 E CA 0.318 56.787 56.400 0.115 0.000 0.912 20 E CB 0.300 30.121 29.700 0.201 0.000 0.907 20 E HN 0.275 nan 8.360 nan 0.000 0.494 21 G N 1.572 110.404 108.800 0.053 0.000 2.591 21 G HA2 -0.399 3.562 3.960 0.001 0.000 0.298 21 G HA3 -0.399 3.562 3.960 0.001 0.000 0.298 21 G C 0.581 175.471 174.900 -0.016 0.000 1.195 21 G CA 0.697 45.758 45.100 -0.065 0.000 0.989 21 G HN 0.334 nan 8.290 nan 0.000 0.551 22 Y N -0.025 120.265 120.300 -0.016 0.000 2.574 22 Y HA 0.160 4.711 4.550 0.001 0.000 0.294 22 Y C 2.682 178.634 175.900 0.088 0.000 1.142 22 Y CA 1.038 59.089 58.100 -0.082 0.000 1.314 22 Y CB -0.063 38.043 38.460 -0.590 0.000 0.991 22 Y HN 0.222 nan 8.280 nan 0.000 0.555 23 L N -1.800 119.559 121.223 0.227 0.000 2.607 23 L HA 0.037 4.377 4.340 0.001 0.000 0.228 23 L C 1.752 178.731 176.870 0.182 0.000 1.123 23 L CA 0.231 55.194 54.840 0.206 0.000 0.890 23 L CB -1.208 40.932 42.059 0.135 0.000 1.103 23 L HN 0.189 nan 8.230 nan 0.000 0.468 24 F N 0.857 120.876 119.950 0.114 0.000 2.046 24 F HA -0.255 4.272 4.527 0.000 0.000 0.297 24 F C 2.215 178.094 175.800 0.132 0.000 1.123 24 F CA 1.933 59.989 58.000 0.093 0.000 1.199 24 F CB -0.110 38.950 39.000 0.100 0.000 0.972 24 F HN 0.033 nan 8.300 nan 0.000 0.474 25 I N 0.049 120.689 120.570 0.117 0.000 2.202 25 I HA -0.269 3.902 4.170 0.001 0.000 0.242 25 I C 2.490 178.646 176.117 0.065 0.000 1.091 25 I CA 1.552 62.926 61.300 0.123 0.000 1.368 25 I CB -0.677 37.511 38.000 0.313 0.000 1.058 25 I HN 0.141 nan 8.210 nan 0.000 0.410 26 K N 1.228 121.693 120.400 0.108 0.000 2.063 26 K HA -0.210 4.110 4.320 0.001 0.000 0.208 26 K C 1.900 178.468 176.600 -0.054 0.000 1.048 26 K CA 1.706 58.033 56.287 0.068 0.000 0.928 26 K CB -0.029 32.547 32.500 0.128 0.000 0.713 26 K HN 0.214 nan 8.250 nan 0.000 0.442 27 N N 0.506 119.139 118.700 -0.112 0.000 2.272 27 N HA -0.138 4.602 4.740 0.001 0.000 0.185 27 N C 1.384 176.664 175.510 -0.383 0.000 1.014 27 N CA 1.165 54.096 53.050 -0.199 0.000 0.870 27 N CB -0.008 38.370 38.487 -0.181 0.000 0.975 27 N HN 0.260 nan 8.380 nan 0.000 0.433 28 R N -0.773 119.389 120.500 -0.563 0.000 2.254 28 R HA 0.107 4.448 4.340 0.001 0.000 0.193 28 R C 1.674 177.589 176.300 -0.642 0.000 0.929 28 R CA 0.834 56.361 56.100 -0.954 0.000 1.038 28 R CB 0.105 29.393 30.300 -1.687 0.000 1.009 28 R HN 0.282 nan 8.270 nan 0.000 0.512 29 T N -1.455 112.962 114.554 -0.229 0.000 3.085 29 T HA 0.044 4.394 4.350 0.001 0.000 0.263 29 T C 1.345 176.036 174.700 -0.014 0.000 1.127 29 T CA 0.692 62.813 62.100 0.034 0.000 1.103 29 T CB 0.122 69.092 68.868 0.170 0.000 0.921 29 T HN 0.241 nan 8.240 nan 0.000 0.510 30 E N 0.959 121.096 120.200 -0.105 0.000 2.127 30 E HA 0.114 4.464 4.350 0.001 0.000 0.191 30 E C 2.346 178.880 176.600 -0.110 0.000 0.964 30 E CA 0.050 56.406 56.400 -0.075 0.000 0.832 30 E CB 0.026 29.682 29.700 -0.072 0.000 0.790 30 E HN 0.400 nan 8.360 nan 0.000 0.465 31 R N 0.865 121.220 120.500 -0.243 0.000 2.070 31 R HA -0.134 4.207 4.340 0.001 0.000 0.232 31 R C 1.863 178.088 176.300 -0.125 0.000 1.138 31 R CA 1.525 57.463 56.100 -0.270 0.000 0.936 31 R CB -0.340 29.640 30.300 -0.533 0.000 0.839 31 R HN 0.226 nan 8.270 nan 0.000 0.429 32 Y N 0.464 120.693 120.300 -0.117 0.000 2.632 32 Y HA -0.039 4.512 4.550 0.001 0.000 0.301 32 Y C 0.428 176.317 175.900 -0.020 0.000 1.172 32 Y CA -0.127 57.932 58.100 -0.068 0.000 1.328 32 Y CB -0.113 38.298 38.460 -0.081 0.000 1.016 32 Y HN 0.302 nan 8.280 nan 0.000 0.529 33 N N 1.208 119.970 118.700 0.105 0.000 2.667 33 N HA -0.219 4.522 4.740 0.001 0.000 0.263 33 N C -0.943 174.628 175.510 0.102 0.000 1.038 33 N CA 1.000 54.097 53.050 0.078 0.000 0.749 33 N CB -0.821 37.702 38.487 0.059 0.000 0.892 33 N HN 0.312 nan 8.380 nan 0.000 0.546 34 S N -0.586 115.194 115.700 0.133 0.000 2.587 34 S HA 0.397 4.867 4.470 0.001 0.000 0.269 34 S C -0.271 174.444 174.600 0.191 0.000 1.154 34 S CA -0.614 57.675 58.200 0.149 0.000 0.824 34 S CB 0.903 64.207 63.200 0.172 0.000 1.118 34 S HN 0.074 nan 8.310 nan 0.000 0.462 35 D N 0.666 121.184 120.400 0.196 0.000 2.355 35 D HA 0.268 4.908 4.640 0.001 0.000 0.218 35 D C 0.239 176.722 176.300 0.305 0.000 1.004 35 D CA 0.935 55.084 54.000 0.247 0.000 0.880 35 D CB -0.201 40.762 40.800 0.272 0.000 0.911 35 D HN 0.485 nan 8.370 nan 0.000 0.528 36 L N -2.098 119.313 121.223 0.314 0.000 2.518 36 L HA 0.683 5.024 4.340 0.001 0.000 0.257 36 L C -1.219 175.840 176.870 0.315 0.000 0.980 36 L CA -1.537 53.468 54.840 0.274 0.000 0.837 36 L CB 1.372 43.619 42.059 0.313 0.000 1.410 36 L HN -0.159 nan 8.230 nan 0.000 0.410 37 F N -1.749 118.261 119.950 0.099 0.000 2.665 37 F HA 0.735 5.263 4.527 0.000 0.000 0.308 37 F C -1.029 174.754 175.800 -0.029 0.000 1.112 37 F CA -0.787 57.240 58.000 0.045 0.000 0.972 37 F CB 1.584 40.695 39.000 0.185 0.000 1.295 37 F HN 0.723 nan 8.300 nan 0.000 0.440 38 Q N 1.890 121.677 119.800 -0.021 0.000 2.235 38 Q HA 0.804 5.145 4.340 0.001 0.000 0.250 38 Q C -0.644 175.225 176.000 -0.219 0.000 0.909 38 Q CA -0.791 54.871 55.803 -0.234 0.000 0.910 38 Q CB 1.971 30.475 28.738 -0.390 0.000 1.223 38 Q HN 0.985 nan 8.270 nan 0.000 0.432 39 A N 1.844 124.599 122.820 -0.108 0.000 2.568 39 A HA 0.703 5.023 4.320 0.001 0.000 0.291 39 A C -1.594 176.049 177.584 0.099 0.000 1.159 39 A CA -0.774 51.292 52.037 0.049 0.000 0.679 39 A CB 1.539 20.717 19.000 0.297 0.000 1.285 39 A HN 0.596 nan 8.150 nan 0.000 0.428 40 R N 0.550 121.131 120.500 0.136 0.000 2.287 40 R HA 0.687 5.027 4.340 0.001 0.000 0.316 40 R C -1.888 174.467 176.300 0.092 0.000 1.050 40 R CA -0.008 56.174 56.100 0.137 0.000 0.983 40 R CB -0.453 29.921 30.300 0.124 0.000 1.140 40 R HN 0.577 nan 8.270 nan 0.000 0.528 41 L N 4.813 126.098 121.223 0.103 0.000 2.354 41 L HA 0.493 4.833 4.340 0.001 0.000 0.269 41 L C 0.091 176.985 176.870 0.040 0.000 1.005 41 L CA -1.395 53.380 54.840 -0.107 0.000 0.819 41 L CB 1.790 43.497 42.059 -0.585 0.000 1.311 41 L HN 0.547 nan 8.230 nan 0.000 0.423 42 L N 3.740 124.937 121.223 -0.045 0.000 3.965 42 L HA -0.313 4.027 4.340 0.001 0.000 0.499 42 L C 1.367 178.297 176.870 0.100 0.000 1.194 42 L CA 0.640 55.497 54.840 0.028 0.000 0.707 42 L CB -1.894 40.196 42.059 0.052 0.000 1.414 42 L HN 1.172 nan 8.230 nan 0.000 0.802 43 G N -1.167 107.672 108.800 0.066 0.000 2.413 43 G HA2 -0.357 3.603 3.960 0.001 0.000 0.259 43 G HA3 -0.357 3.603 3.960 0.001 0.000 0.259 43 G C 0.729 175.678 174.900 0.081 0.000 1.003 43 G CA 1.289 46.427 45.100 0.063 0.000 0.629 43 G HN 0.413 nan 8.290 nan 0.000 0.548 44 K N 0.516 120.996 120.400 0.134 0.000 2.168 44 K HA 0.424 4.744 4.320 0.001 0.000 0.239 44 K C 0.028 176.708 176.600 0.132 0.000 0.999 44 K CA -0.996 55.341 56.287 0.083 0.000 0.900 44 K CB 0.415 32.902 32.500 -0.022 0.000 1.111 44 K HN 0.156 nan 8.250 nan 0.000 0.452 45 N N 1.041 119.750 118.700 0.016 0.000 2.444 45 N HA 0.256 4.997 4.740 0.001 0.000 0.271 45 N C -0.608 174.861 175.510 -0.068 0.000 1.069 45 N CA 0.094 53.163 53.050 0.033 0.000 0.965 45 N CB 0.335 38.822 38.487 -0.001 0.000 1.092 45 N HN 0.256 nan 8.380 nan 0.000 0.476 46 F N 0.948 120.860 119.950 -0.063 0.000 2.613 46 F HA 0.602 5.130 4.527 0.000 0.000 0.342 46 F C 0.293 175.994 175.800 -0.164 0.000 1.066 46 F CA -0.802 57.143 58.000 -0.093 0.000 1.002 46 F CB 1.599 40.541 39.000 -0.096 0.000 1.319 46 F HN 0.165 nan 8.300 nan 0.000 0.495 47 I N 2.001 122.615 120.570 0.073 0.000 2.531 47 I HA 0.210 4.380 4.170 0.001 0.000 0.283 47 I C -1.517 174.531 176.117 -0.114 0.000 1.083 47 I CA -0.307 60.917 61.300 -0.126 0.000 1.071 47 I CB 1.319 39.183 38.000 -0.227 0.000 1.210 47 I HN 0.393 nan 8.210 nan 0.000 0.450 48 C N 7.462 126.477 119.300 -0.475 0.000 2.369 48 C HA 0.691 5.152 4.460 0.001 0.000 0.358 48 C C 0.431 175.219 174.990 -0.336 0.000 1.274 48 C CA -0.577 58.146 59.018 -0.493 0.000 1.935 48 C CB 0.107 27.311 27.740 -0.895 0.000 2.431 48 C HN 0.712 nan 8.230 nan 0.000 0.545 49 M N 1.857 121.415 119.600 -0.070 0.000 2.619 49 M HA 0.773 5.253 4.480 0.001 0.000 0.297 49 M C -0.752 175.605 176.300 0.094 0.000 1.229 49 M CA -0.184 55.172 55.300 0.094 0.000 0.860 49 M CB 2.153 34.883 32.600 0.217 0.000 1.741 49 M HN 0.500 nan 8.290 nan 0.000 0.462 50 T N 0.015 114.670 114.554 0.167 0.000 2.903 50 T HA 0.844 5.195 4.350 0.001 0.000 0.299 50 T C -0.580 174.227 174.700 0.178 0.000 1.093 50 T CA 0.590 62.783 62.100 0.154 0.000 1.002 50 T CB 1.734 70.706 68.868 0.173 0.000 1.127 50 T HN 1.598 nan 8.240 nan 0.000 0.488 51 G N 0.744 109.642 108.800 0.164 0.000 2.576 51 G HA2 0.387 4.348 3.960 0.001 0.000 0.686 51 G HA3 0.387 4.348 3.960 0.001 0.000 0.686 51 G C 0.638 175.648 174.900 0.183 0.000 1.242 51 G CA -0.127 45.082 45.100 0.181 0.000 0.819 51 G HN 1.220 nan 8.290 nan 0.000 0.655 52 A N -0.019 122.914 122.820 0.188 0.000 1.972 52 A HA 0.089 4.409 4.320 0.001 0.000 0.219 52 A C 2.081 179.726 177.584 0.103 0.000 1.169 52 A CA 2.328 54.483 52.037 0.197 0.000 0.635 52 A CB -0.285 18.829 19.000 0.189 0.000 0.810 52 A HN 0.709 nan 8.150 nan 0.000 0.446 53 E N -0.047 120.230 120.200 0.129 0.000 2.150 53 E HA -0.066 4.284 4.350 0.001 0.000 0.193 53 E C 2.313 178.955 176.600 0.070 0.000 0.985 53 E CA 1.104 57.590 56.400 0.143 0.000 0.814 53 E CB -0.482 29.411 29.700 0.322 0.000 0.752 53 E HN 0.571 nan 8.360 nan 0.000 0.466 54 A N 1.516 124.387 122.820 0.086 0.000 1.855 54 A HA -0.057 4.263 4.320 0.001 0.000 0.215 54 A C 2.464 179.971 177.584 -0.129 0.000 1.191 54 A CA 2.029 53.945 52.037 -0.202 0.000 0.613 54 A CB -0.817 18.190 19.000 0.011 0.000 0.829 54 A HN 0.257 nan 8.150 nan 0.000 0.442 55 A N 0.231 123.094 122.820 0.072 0.000 1.940 55 A HA -0.291 4.029 4.320 0.001 0.000 0.221 55 A C 2.075 179.856 177.584 0.329 0.000 1.190 55 A CA 2.210 54.450 52.037 0.338 0.000 0.647 55 A CB -0.613 18.717 19.000 0.550 0.000 0.821 55 A HN 0.601 nan 8.150 nan 0.000 0.457 56 K N -0.823 119.422 120.400 -0.258 0.000 2.097 56 K HA -0.068 4.253 4.320 0.001 0.000 0.206 56 K C 1.867 178.326 176.600 -0.235 0.000 1.049 56 K CA 1.482 57.364 56.287 -0.676 0.000 0.933 56 K CB -0.369 31.694 32.500 -0.728 0.000 0.717 56 K HN 0.381 nan 8.250 nan 0.000 0.442 57 V N 0.762 120.506 119.914 -0.283 0.000 2.446 57 V HA -0.163 3.958 4.120 0.001 0.000 0.244 57 V C 1.914 177.963 176.094 -0.074 0.000 1.039 57 V CA 1.130 63.227 62.300 -0.337 0.000 1.045 57 V CB -0.450 30.868 31.823 -0.840 0.000 0.681 57 V HN 0.162 nan 8.190 nan 0.000 0.459 58 F N 0.335 120.101 119.950 -0.306 0.000 2.161 58 F HA -0.236 4.291 4.527 0.000 0.000 0.300 58 F C 1.955 177.540 175.800 -0.359 0.000 1.089 58 F CA 1.737 59.367 58.000 -0.617 0.000 1.282 58 F CB -0.252 38.430 39.000 -0.530 0.000 1.010 58 F HN 0.209 nan 8.300 nan 0.000 0.485 59 Y N -0.314 120.045 120.300 0.099 0.000 2.529 59 Y HA 0.037 4.587 4.550 0.001 0.000 0.290 59 Y C 0.423 176.368 175.900 0.075 0.000 1.177 59 Y CA 0.119 58.285 58.100 0.110 0.000 1.305 59 Y CB -0.533 38.109 38.460 0.303 0.000 1.047 59 Y HN -0.054 nan 8.280 nan 0.000 0.522 60 D N 0.164 120.648 120.400 0.140 0.000 2.374 60 D HA -0.021 4.619 4.640 0.001 0.000 0.240 60 D C 1.220 177.539 176.300 0.031 0.000 1.229 60 D CA 0.187 54.221 54.000 0.055 0.000 0.895 60 D CB 0.720 41.476 40.800 -0.073 0.000 1.046 60 D HN 0.258 nan 8.370 nan 0.000 0.498 61 T N 0.041 114.616 114.554 0.036 0.000 3.098 61 T HA -0.116 4.234 4.350 0.001 0.000 0.266 61 T C 0.851 175.528 174.700 -0.037 0.000 1.145 61 T CA 0.436 62.543 62.100 0.010 0.000 1.092 61 T CB 0.024 68.909 68.868 0.029 0.000 0.908 61 T HN 0.287 nan 8.240 nan 0.000 0.526 62 D N 1.046 121.403 120.400 -0.071 0.000 2.355 62 D HA 0.110 4.751 4.640 0.001 0.000 0.218 62 D C 2.045 178.244 176.300 -0.168 0.000 1.004 62 D CA 0.378 54.321 54.000 -0.096 0.000 0.880 62 D CB 0.162 40.908 40.800 -0.089 0.000 0.911 62 D HN 0.465 nan 8.370 nan 0.000 0.528 63 R N -1.142 119.203 120.500 -0.258 0.000 2.342 63 R HA 0.182 4.522 4.340 0.001 0.000 0.204 63 R C -0.184 175.734 176.300 -0.636 0.000 0.882 63 R CA 0.052 55.856 56.100 -0.494 0.000 1.041 63 R CB 0.998 30.759 30.300 -0.899 0.000 1.188 63 R HN -0.059 nan 8.270 nan 0.000 0.598 64 F N 1.413 121.262 119.950 -0.169 0.000 2.529 64 F HA 0.310 4.838 4.527 0.001 0.000 0.320 64 F C -0.314 175.379 175.800 -0.179 0.000 1.118 64 F CA -0.911 56.969 58.000 -0.200 0.000 0.915 64 F CB 1.926 40.684 39.000 -0.404 0.000 1.161 64 F HN -0.129 nan 8.300 nan 0.000 0.445 65 Q N 2.659 122.484 119.800 0.042 0.000 2.377 65 Q HA 0.614 4.955 4.340 0.001 0.000 0.271 65 Q C -0.161 175.818 176.000 -0.036 0.000 1.077 65 Q CA -1.054 54.747 55.803 -0.003 0.000 0.820 65 Q CB 2.448 31.181 28.738 -0.008 0.000 1.347 65 Q HN 0.449 nan 8.270 nan 0.000 0.444 66 R N 0.832 121.291 120.500 -0.069 0.000 2.254 66 R HA 0.066 4.406 4.340 0.001 0.000 0.195 66 R C 0.221 176.466 176.300 -0.091 0.000 0.957 66 R CA 0.255 56.267 56.100 -0.146 0.000 1.024 66 R CB 0.036 30.120 30.300 -0.360 0.000 0.952 66 R HN 0.795 nan 8.270 nan 0.000 0.484 67 Q N 1.795 121.566 119.800 -0.048 0.000 2.255 67 Q HA -0.048 4.293 4.340 0.001 0.000 0.280 67 Q C -0.661 175.332 176.000 -0.012 0.000 1.068 67 Q CA 0.483 56.273 55.803 -0.021 0.000 0.911 67 Q CB 0.182 28.918 28.738 -0.003 0.000 1.157 67 Q HN 0.213 nan 8.270 nan 0.000 0.380 68 N N 1.270 119.969 118.700 -0.001 0.000 2.925 68 N HA -0.286 4.454 4.740 0.001 0.000 0.244 68 N C -0.016 175.499 175.510 0.008 0.000 1.000 68 N CA 0.871 53.924 53.050 0.006 0.000 0.895 68 N CB -1.230 37.257 38.487 -0.001 0.000 1.119 68 N HN 0.656 nan 8.380 nan 0.000 0.569 69 A N 0.123 122.948 122.820 0.008 0.000 1.824 69 A HA 0.205 4.525 4.320 0.001 0.000 0.215 69 A C 0.840 178.474 177.584 0.083 0.000 1.244 69 A CA 0.746 52.800 52.037 0.029 0.000 0.604 69 A CB -0.123 18.883 19.000 0.010 0.000 0.900 69 A HN 0.201 nan 8.150 nan 0.000 0.455 70 L N 1.387 122.668 121.223 0.097 0.000 2.375 70 L HA 0.277 4.618 4.340 0.001 0.000 0.271 70 L C -1.849 175.078 176.870 0.095 0.000 1.107 70 L CA -2.055 52.860 54.840 0.125 0.000 0.806 70 L CB 0.917 43.072 42.059 0.160 0.000 1.146 70 L HN 0.318 nan 8.230 nan 0.000 0.447 71 P HA -0.023 nan 4.420 nan 0.000 0.267 71 P C -0.246 177.078 177.300 0.040 0.000 1.201 71 P CA -0.277 62.851 63.100 0.047 0.000 0.775 71 P CB 0.674 32.387 31.700 0.021 0.000 0.854 72 K N 2.420 122.839 120.400 0.032 0.000 2.147 72 K HA -0.150 4.171 4.320 0.001 0.000 0.205 72 K C 2.017 178.631 176.600 0.024 0.000 1.049 72 K CA 1.510 57.816 56.287 0.032 0.000 0.936 72 K CB -0.517 31.998 32.500 0.024 0.000 0.722 72 K HN 0.610 nan 8.250 nan 0.000 0.446 73 R N 0.666 121.178 120.500 0.019 0.000 2.159 73 R HA -0.063 4.278 4.340 0.001 0.000 0.237 73 R C 1.864 178.211 176.300 0.078 0.000 1.131 73 R CA 1.242 57.378 56.100 0.060 0.000 0.982 73 R CB -0.764 29.530 30.300 -0.009 0.000 0.868 73 R HN -0.086 nan 8.270 nan 0.000 0.453 74 V N 1.294 121.208 119.914 0.000 0.000 2.535 74 V HA -0.126 3.994 4.120 0.001 0.000 0.246 74 V C 2.352 178.338 176.094 -0.181 0.000 1.045 74 V CA 1.499 63.734 62.300 -0.108 0.000 1.058 74 V CB -0.353 31.365 31.823 -0.175 0.000 0.689 74 V HN 0.325 nan 8.190 nan 0.000 0.461 75 Q N 0.179 119.958 119.800 -0.036 0.000 2.046 75 Q HA -0.154 4.186 4.340 0.001 0.000 0.200 75 Q C 2.009 178.025 176.000 0.026 0.000 0.975 75 Q CA 1.264 57.097 55.803 0.051 0.000 0.836 75 Q CB -0.183 28.618 28.738 0.105 0.000 0.896 75 Q HN 0.527 nan 8.270 nan 0.000 0.428 76 K N 0.147 120.551 120.400 0.006 0.000 2.574 76 K HA -0.045 4.275 4.320 0.001 0.000 0.193 76 K C 1.442 178.007 176.600 -0.058 0.000 1.035 76 K CA 1.065 57.341 56.287 -0.018 0.000 0.982 76 K CB 0.214 32.690 32.500 -0.041 0.000 0.795 76 K HN 0.198 nan 8.250 nan 0.000 0.491 77 S N -1.662 114.007 115.700 -0.052 0.000 2.918 77 S HA 0.052 4.522 4.470 0.001 0.000 0.264 77 S C 1.251 175.842 174.600 -0.015 0.000 1.078 77 S CA -0.467 57.695 58.200 -0.063 0.000 0.918 77 S CB -0.010 63.126 63.200 -0.106 0.000 0.882 77 S HN 0.120 nan 8.310 nan 0.000 0.466 78 L N 0.293 121.462 121.223 -0.091 0.000 2.546 78 L HA 0.573 4.914 4.340 0.001 0.000 0.182 78 L C 1.523 178.392 176.870 -0.002 0.000 1.167 78 L CA 1.192 55.956 54.840 -0.127 0.000 0.845 78 L CB -0.630 41.171 42.059 -0.430 0.000 1.134 78 L HN 0.250 nan 8.230 nan 0.000 0.500 79 F N 0.910 120.882 119.950 0.037 0.000 2.234 79 F HA 0.508 5.035 4.527 0.001 0.000 0.296 79 F C 1.444 177.269 175.800 0.043 0.000 1.089 79 F CA 0.348 58.359 58.000 0.018 0.000 1.343 79 F CB -1.273 37.718 39.000 -0.014 0.000 1.040 79 F HN 0.228 nan 8.300 nan 0.000 0.498 80 G N -0.136 108.797 108.800 0.221 0.000 2.629 80 G HA2 0.002 3.962 3.960 0.001 0.000 0.686 80 G HA3 0.002 3.962 3.960 0.001 0.000 0.686 80 G C -1.169 173.818 174.900 0.144 0.000 1.232 80 G CA -0.950 44.242 45.100 0.154 0.000 0.803 80 G HN 0.058 nan 8.290 nan 0.000 0.638 81 V N 2.684 122.659 119.914 0.101 0.000 2.555 81 V HA 0.367 4.487 4.120 0.001 0.000 0.286 81 V C 1.455 177.600 176.094 0.085 0.000 1.044 81 V CA 0.683 63.036 62.300 0.087 0.000 1.026 81 V CB 1.236 33.097 31.823 0.063 0.000 0.981 81 V HN 1.149 nan 8.190 nan 0.000 0.480 82 N N 1.550 120.299 118.700 0.082 0.000 2.741 82 N HA -0.192 4.548 4.740 0.001 0.000 0.250 82 N C 0.348 175.903 175.510 0.075 0.000 1.115 82 N CA 0.754 53.847 53.050 0.070 0.000 0.724 82 N CB -0.256 38.268 38.487 0.062 0.000 1.090 82 N HN 0.928 nan 8.380 nan 0.000 0.558 83 A N 0.540 123.409 122.820 0.082 0.000 2.250 83 A HA 0.364 4.685 4.320 0.001 0.000 0.283 83 A C 1.833 179.442 177.584 0.042 0.000 1.206 83 A CA 0.153 52.236 52.037 0.076 0.000 0.840 83 A CB 0.092 19.145 19.000 0.087 0.000 1.220 83 A HN 0.279 nan 8.150 nan 0.000 0.505 84 I N -1.108 119.488 120.570 0.045 0.000 2.185 84 I HA -0.372 3.798 4.170 0.001 0.000 0.246 84 I C 2.307 178.418 176.117 -0.010 0.000 1.088 84 I CA 2.286 63.626 61.300 0.066 0.000 1.347 84 I CB -0.159 37.847 38.000 0.009 0.000 1.041 84 I HN 0.802 nan 8.210 nan 0.000 0.415 85 Q N 0.523 120.194 119.800 -0.215 0.000 2.268 85 Q HA -0.183 4.157 4.340 0.001 0.000 0.210 85 Q C 1.800 177.585 176.000 -0.359 0.000 0.988 85 Q CA 1.779 57.322 55.803 -0.433 0.000 0.883 85 Q CB -0.526 27.689 28.738 -0.871 0.000 0.911 85 Q HN 0.673 nan 8.270 nan 0.000 0.430 86 G N -1.561 107.145 108.800 -0.157 0.000 3.233 86 G HA2 0.259 4.220 3.960 0.001 0.000 0.234 86 G HA3 0.259 4.220 3.960 0.001 0.000 0.234 86 G C 0.035 174.907 174.900 -0.046 0.000 1.137 86 G CA -0.371 44.668 45.100 -0.102 0.000 0.763 86 G HN 0.119 nan 8.290 nan 0.000 0.549 87 M N 1.234 120.832 119.600 -0.003 0.000 2.274 87 M HA 0.364 4.844 4.480 0.001 0.000 0.344 87 M C -0.750 175.571 176.300 0.035 0.000 1.161 87 M CA -0.006 55.338 55.300 0.072 0.000 1.126 87 M CB 1.238 33.953 32.600 0.192 0.000 1.522 87 M HN -0.077 nan 8.290 nan 0.000 0.461 88 D N 0.468 120.914 120.400 0.077 0.000 2.559 88 D HA 0.666 5.306 4.640 0.001 0.000 0.250 88 D C 0.036 176.400 176.300 0.107 0.000 1.135 88 D CA 0.223 54.261 54.000 0.063 0.000 0.955 88 D CB 1.944 42.764 40.800 0.034 0.000 1.442 88 D HN 0.825 nan 8.370 nan 0.000 0.471 89 G N 0.294 109.149 108.800 0.091 0.000 2.698 89 G HA2 -0.269 3.691 3.960 0.001 0.000 0.233 89 G HA3 -0.269 3.691 3.960 0.001 0.000 0.233 89 G C 0.954 175.913 174.900 0.098 0.000 1.352 89 G CA 0.416 45.563 45.100 0.079 0.000 0.879 89 G HN 0.651 nan 8.290 nan 0.000 0.567 90 S N -0.612 115.127 115.700 0.066 0.000 2.440 90 S HA 0.112 4.583 4.470 0.001 0.000 0.238 90 S C 2.603 177.263 174.600 0.100 0.000 1.010 90 S CA 1.974 60.210 58.200 0.061 0.000 0.972 90 S CB -0.436 62.780 63.200 0.028 0.000 0.774 90 S HN 2.114 nan 8.310 nan 0.000 0.501 91 A N 2.158 125.048 122.820 0.117 0.000 1.898 91 A HA -0.160 4.160 4.320 0.001 0.000 0.216 91 A C 2.200 179.905 177.584 0.202 0.000 1.181 91 A CA 1.541 53.674 52.037 0.160 0.000 0.620 91 A CB -1.220 17.861 19.000 0.134 0.000 0.819 91 A HN 0.788 nan 8.150 nan 0.000 0.442 92 H N -0.462 118.658 119.070 0.083 0.000 2.357 92 H HA -0.045 4.512 4.556 0.001 0.000 0.301 92 H C 1.712 177.063 175.328 0.038 0.000 1.082 92 H CA 1.491 57.570 56.048 0.052 0.000 1.342 92 H CB -0.028 29.734 29.762 0.000 0.000 1.389 92 H HN 0.337 nan 8.280 nan 0.000 0.511 93 I N 1.061 121.540 120.570 -0.152 0.000 2.614 93 I HA -0.196 3.974 4.170 0.001 0.000 0.258 93 I C 2.363 178.453 176.117 -0.044 0.000 1.189 93 I CA 1.066 62.247 61.300 -0.198 0.000 1.462 93 I CB -1.278 36.688 38.000 -0.057 0.000 1.092 93 I HN 0.388 nan 8.210 nan 0.000 0.442 94 H N 1.503 120.553 119.070 -0.034 0.000 2.317 94 H HA -0.115 4.441 4.556 0.001 0.000 0.304 94 H C 2.336 177.712 175.328 0.080 0.000 1.067 94 H CA 1.894 57.968 56.048 0.042 0.000 1.352 94 H CB -0.026 29.781 29.762 0.075 0.000 1.398 94 H HN 0.012 nan 8.280 nan 0.000 0.510 95 R N 0.414 120.881 120.500 -0.053 0.000 2.152 95 R HA -0.074 4.266 4.340 0.001 0.000 0.232 95 R C 2.038 178.328 176.300 -0.016 0.000 1.117 95 R CA 1.369 57.410 56.100 -0.097 0.000 0.981 95 R CB -0.149 30.195 30.300 0.073 0.000 0.870 95 R HN 0.120 nan 8.270 nan 0.000 0.451 96 K N -0.265 120.086 120.400 -0.081 0.000 2.103 96 K HA 0.016 4.336 4.320 0.001 0.000 0.204 96 K C 1.598 178.200 176.600 0.004 0.000 1.052 96 K CA 1.355 57.600 56.287 -0.070 0.000 0.945 96 K CB -0.008 32.262 32.500 -0.383 0.000 0.722 96 K HN 0.131 nan 8.250 nan 0.000 0.443 97 M N 0.416 119.993 119.600 -0.039 0.000 2.374 97 M HA -0.052 4.428 4.480 0.001 0.000 0.264 97 M C 1.788 178.079 176.300 -0.015 0.000 1.067 97 M CA 0.789 56.086 55.300 -0.006 0.000 1.103 97 M CB -0.871 31.739 32.600 0.017 0.000 1.402 97 M HN 0.193 nan 8.290 nan 0.000 0.444 98 L N 0.017 121.185 121.223 -0.091 0.000 2.005 98 L HA -0.059 4.281 4.340 0.001 0.000 0.207 98 L C 2.036 178.796 176.870 -0.182 0.000 1.072 98 L CA 1.875 56.588 54.840 -0.212 0.000 0.744 98 L CB -1.000 40.733 42.059 -0.544 0.000 0.895 98 L HN 0.070 nan 8.230 nan 0.000 0.433 99 F N -0.438 119.439 119.950 -0.120 0.000 2.126 99 F HA -0.216 4.311 4.527 0.000 0.000 0.299 99 F C 2.280 178.070 175.800 -0.017 0.000 1.096 99 F CA 1.623 59.585 58.000 -0.065 0.000 1.255 99 F CB -0.611 38.355 39.000 -0.056 0.000 0.997 99 F HN 0.043 nan 8.300 nan 0.000 0.479 100 L N -0.277 121.047 121.223 0.167 0.000 2.012 100 L HA -0.265 4.075 4.340 0.001 0.000 0.210 100 L C 2.719 179.660 176.870 0.119 0.000 1.073 100 L CA 1.669 56.581 54.840 0.121 0.000 0.748 100 L CB -1.137 40.970 42.059 0.080 0.000 0.891 100 L HN 0.251 nan 8.230 nan 0.000 0.431 101 S N 0.271 116.022 115.700 0.085 0.000 2.420 101 S HA -0.191 4.279 4.470 0.001 0.000 0.237 101 S C 1.716 176.428 174.600 0.186 0.000 1.023 101 S CA 1.313 59.578 58.200 0.108 0.000 0.991 101 S CB -0.642 62.593 63.200 0.058 0.000 0.792 101 S HN 0.457 nan 8.310 nan 0.000 0.488 102 L N -0.649 120.625 121.223 0.085 0.000 2.607 102 L HA 0.410 4.750 4.340 0.001 0.000 0.228 102 L C 1.606 178.495 176.870 0.030 0.000 1.123 102 L CA 0.207 54.989 54.840 -0.097 0.000 0.890 102 L CB -0.228 41.728 42.059 -0.172 0.000 1.103 102 L HN 0.288 nan 8.230 nan 0.000 0.468 103 M N -0.005 119.725 119.600 0.216 0.000 2.685 103 M HA 0.155 4.635 4.480 0.001 0.000 0.355 103 M C 0.395 176.831 176.300 0.226 0.000 1.197 103 M CA -0.196 55.229 55.300 0.210 0.000 0.947 103 M CB 0.501 33.188 32.600 0.146 0.000 1.346 103 M HN 0.108 nan 8.290 nan 0.000 0.516 104 T N -3.081 111.672 114.554 0.332 0.000 2.849 104 T HA 0.303 4.653 4.350 0.001 0.000 0.284 104 T C -2.015 172.765 174.700 0.134 0.000 1.004 104 T CA -1.497 60.715 62.100 0.185 0.000 1.021 104 T CB 0.838 69.784 68.868 0.131 0.000 1.013 104 T HN -0.077 nan 8.240 nan 0.000 0.527 105 P HA -0.083 nan 4.420 nan 0.000 0.218 105 P C -1.542 175.774 177.300 0.025 0.000 1.152 105 P CA 1.361 64.486 63.100 0.041 0.000 0.857 105 P CB -1.104 30.611 31.700 0.025 0.000 0.787 106 P HA -0.178 nan 4.420 nan 0.000 0.215 106 P C 1.556 178.844 177.300 -0.019 0.000 1.157 106 P CA 1.503 64.562 63.100 -0.068 0.000 0.868 106 P CB -0.444 31.151 31.700 -0.176 0.000 0.788 107 H N -0.233 118.914 119.070 0.129 0.000 2.270 107 H HA -0.099 4.458 4.556 0.001 0.000 0.299 107 H C 2.067 177.401 175.328 0.011 0.000 1.077 107 H CA 1.490 57.658 56.048 0.200 0.000 1.294 107 H CB -0.893 29.062 29.762 0.322 0.000 1.371 107 H HN 0.250 nan 8.280 nan 0.000 0.491 108 Q N 0.608 120.480 119.800 0.119 0.000 2.082 108 Q HA -0.235 4.106 4.340 0.001 0.000 0.211 108 Q C 2.406 178.402 176.000 -0.006 0.000 1.002 108 Q CA 1.970 57.774 55.803 0.002 0.000 0.868 108 Q CB -0.111 28.642 28.738 0.025 0.000 0.931 108 Q HN 0.123 nan 8.270 nan 0.000 0.414 109 K N 0.561 120.977 120.400 0.027 0.000 2.074 109 K HA -0.207 4.113 4.320 0.001 0.000 0.209 109 K C 1.980 178.598 176.600 0.029 0.000 1.048 109 K CA 1.467 57.768 56.287 0.023 0.000 0.926 109 K CB -0.112 32.402 32.500 0.024 0.000 0.713 109 K HN -0.058 nan 8.250 nan 0.000 0.444 110 R N 0.401 120.938 120.500 0.062 0.000 2.066 110 R HA 0.027 4.367 4.340 0.001 0.000 0.232 110 R C 2.086 178.398 176.300 0.020 0.000 1.131 110 R CA 1.498 57.657 56.100 0.098 0.000 0.955 110 R CB -0.722 29.728 30.300 0.251 0.000 0.851 110 R HN 0.255 nan 8.270 nan 0.000 0.432 111 L N -0.299 120.846 121.223 -0.130 0.000 2.017 111 L HA -0.116 4.224 4.340 0.001 0.000 0.208 111 L C 2.430 179.235 176.870 -0.108 0.000 1.073 111 L CA 1.537 56.236 54.840 -0.235 0.000 0.745 111 L CB -0.646 41.136 42.059 -0.461 0.000 0.894 111 L HN 0.318 nan 8.230 nan 0.000 0.432 112 A N -0.452 122.331 122.820 -0.062 0.000 1.978 112 A HA -0.232 4.088 4.320 0.001 0.000 0.220 112 A C 2.142 179.729 177.584 0.007 0.000 1.170 112 A CA 1.713 53.745 52.037 -0.007 0.000 0.636 112 A CB -0.425 18.584 19.000 0.015 0.000 0.810 112 A HN 0.486 nan 8.150 nan 0.000 0.448 113 E N -0.341 119.862 120.200 0.005 0.000 2.072 113 E HA -0.111 4.239 4.350 0.001 0.000 0.191 113 E C 1.921 178.523 176.600 0.002 0.000 0.985 113 E CA 1.071 57.481 56.400 0.017 0.000 0.801 113 E CB -0.245 29.475 29.700 0.034 0.000 0.750 113 E HN 0.655 nan 8.360 nan 0.000 0.452 114 L N 0.332 121.555 121.223 -0.001 0.000 2.093 114 L HA -0.167 4.173 4.340 0.001 0.000 0.208 114 L C 2.583 179.381 176.870 -0.120 0.000 1.085 114 L CA 0.612 55.441 54.840 -0.019 0.000 0.755 114 L CB -0.306 41.783 42.059 0.049 0.000 0.904 114 L HN 0.207 nan 8.230 nan 0.000 0.435 115 M N -0.589 118.922 119.600 -0.149 0.000 2.086 115 M HA -0.178 4.303 4.480 0.001 0.000 0.261 115 M C 2.414 178.552 176.300 -0.269 0.000 1.067 115 M CA 1.916 57.030 55.300 -0.310 0.000 1.116 115 M CB -1.357 31.130 32.600 -0.188 0.000 1.348 115 M HN 0.238 nan 8.290 nan 0.000 0.407 116 T N 1.221 115.757 114.554 -0.030 0.000 2.665 116 T HA -0.206 4.144 4.350 0.001 0.000 0.268 116 T C 1.611 176.300 174.700 -0.017 0.000 1.035 116 T CA 2.028 64.167 62.100 0.065 0.000 1.151 116 T CB -0.357 68.553 68.868 0.070 0.000 0.862 116 T HN 0.621 nan 8.240 nan 0.000 0.438 117 E N 0.993 121.154 120.200 -0.065 0.000 2.072 117 E HA -0.120 4.230 4.350 0.001 0.000 0.190 117 E C 2.113 178.617 176.600 -0.161 0.000 0.982 117 E CA 0.820 57.172 56.400 -0.081 0.000 0.803 117 E CB -0.245 29.416 29.700 -0.066 0.000 0.755 117 E HN 0.328 nan 8.360 nan 0.000 0.453 118 E N 0.849 120.898 120.200 -0.252 0.000 2.058 118 E HA -0.187 4.163 4.350 0.001 0.000 0.194 118 E C 1.730 178.074 176.600 -0.427 0.000 0.997 118 E CA 1.344 57.528 56.400 -0.360 0.000 0.801 118 E CB -0.365 29.044 29.700 -0.485 0.000 0.746 118 E HN 0.507 nan 8.360 nan 0.000 0.450 119 W N 1.221 122.220 121.300 -0.502 0.000 2.335 119 W HA -0.173 4.487 4.660 0.000 0.000 0.311 119 W C 2.542 178.503 176.519 -0.929 0.000 1.213 119 W CA 0.658 57.401 57.345 -1.004 0.000 1.274 119 W CB -0.050 28.579 29.460 -1.385 0.000 1.148 119 W HN 0.038 nan 8.180 nan 0.000 0.498 120 K N -0.248 120.026 120.400 -0.210 0.000 2.211 120 K HA -0.098 4.222 4.320 0.001 0.000 0.203 120 K C 2.118 178.674 176.600 -0.073 0.000 1.050 120 K CA 1.167 57.449 56.287 -0.008 0.000 0.945 120 K CB -0.345 32.184 32.500 0.049 0.000 0.732 120 K HN 0.114 nan 8.250 nan 0.000 0.451 121 A N 1.208 123.937 122.820 -0.151 0.000 1.970 121 A HA 0.027 4.347 4.320 0.001 0.000 0.216 121 A C 2.279 179.743 177.584 -0.200 0.000 1.170 121 A CA 1.352 53.302 52.037 -0.145 0.000 0.645 121 A CB -0.341 18.570 19.000 -0.148 0.000 0.816 121 A HN 0.284 nan 8.150 nan 0.000 0.447 122 A N -0.251 122.363 122.820 -0.343 0.000 1.969 122 A HA 0.056 4.376 4.320 0.001 0.000 0.218 122 A C 2.127 179.330 177.584 -0.636 0.000 1.169 122 A CA 1.516 53.224 52.037 -0.549 0.000 0.635 122 A CB -0.826 17.656 19.000 -0.864 0.000 0.810 122 A HN 0.363 nan 8.150 nan 0.000 0.445 123 V N -0.037 119.629 119.914 -0.412 0.000 2.282 123 V HA -0.298 3.822 4.120 0.001 0.000 0.249 123 V C 2.680 178.768 176.094 -0.010 0.000 1.057 123 V CA 2.600 64.817 62.300 -0.138 0.000 1.032 123 V CB -1.547 30.301 31.823 0.042 0.000 0.645 123 V HN 0.595 nan 8.190 nan 0.000 0.447 124 T N -0.802 113.737 114.554 -0.024 0.000 2.803 124 T HA -0.235 4.115 4.350 0.001 0.000 0.269 124 T C 2.022 176.753 174.700 0.051 0.000 1.052 124 T CA 1.840 63.952 62.100 0.019 0.000 1.136 124 T CB -0.220 68.649 68.868 0.001 0.000 0.864 124 T HN 0.452 nan 8.240 nan 0.000 0.467 125 R N -0.798 119.728 120.500 0.043 0.000 2.080 125 R HA -0.032 4.309 4.340 0.001 0.000 0.222 125 R C 2.037 178.507 176.300 0.284 0.000 1.107 125 R CA 0.842 57.019 56.100 0.129 0.000 0.980 125 R CB -0.100 30.273 30.300 0.121 0.000 0.879 125 R HN 0.338 nan 8.270 nan 0.000 0.439 126 W N 1.708 123.047 121.300 0.065 0.000 2.363 126 W HA -0.068 4.592 4.660 0.001 0.000 0.296 126 W C 1.662 178.211 176.519 0.049 0.000 1.212 126 W CA 0.664 58.046 57.345 0.062 0.000 1.260 126 W CB -0.683 28.830 29.460 0.090 0.000 1.131 126 W HN 0.248 nan 8.180 nan 0.000 0.530 127 E N -0.094 120.271 120.200 0.275 0.000 2.401 127 E HA -0.172 4.179 4.350 0.001 0.000 0.199 127 E C 1.595 178.267 176.600 0.121 0.000 1.023 127 E CA 0.980 57.482 56.400 0.169 0.000 0.859 127 E CB -0.113 29.660 29.700 0.122 0.000 0.780 127 E HN 0.346 nan 8.360 nan 0.000 0.523 128 K N -0.152 120.322 120.400 0.125 0.000 2.367 128 K HA 0.201 4.521 4.320 0.001 0.000 0.195 128 K C 0.685 177.329 176.600 0.073 0.000 1.060 128 K CA -0.041 56.297 56.287 0.084 0.000 1.022 128 K CB 0.824 33.368 32.500 0.074 0.000 0.894 128 K HN -0.055 nan 8.250 nan 0.000 0.540 129 A N 1.427 124.302 122.820 0.091 0.000 2.310 129 A HA 0.009 4.329 4.320 0.001 0.000 0.260 129 A C 0.556 178.153 177.584 0.021 0.000 1.112 129 A CA 0.111 52.179 52.037 0.051 0.000 0.804 129 A CB 0.321 19.347 19.000 0.042 0.000 1.081 129 A HN 0.145 nan 8.150 nan 0.000 0.499 130 D N -1.209 119.188 120.400 -0.006 0.000 2.202 130 D HA 0.092 4.732 4.640 0.001 0.000 0.214 130 D C 0.528 176.802 176.300 -0.043 0.000 0.967 130 D CA 1.306 55.296 54.000 -0.017 0.000 0.871 130 D CB 0.212 40.999 40.800 -0.021 0.000 1.020 130 D HN 0.666 nan 8.370 nan 0.000 0.474 131 E N -1.101 119.056 120.200 -0.072 0.000 2.450 131 E HA 0.617 4.967 4.350 0.001 0.000 0.272 131 E C -1.430 175.058 176.600 -0.188 0.000 0.967 131 E CA -1.099 55.227 56.400 -0.124 0.000 0.818 131 E CB 3.134 32.763 29.700 -0.119 0.000 1.401 131 E HN -0.238 nan 8.360 nan 0.000 0.450 132 V N 1.141 120.887 119.914 -0.280 0.000 2.817 132 V HA 0.164 4.284 4.120 0.001 0.000 0.303 132 V C -1.122 174.760 176.094 -0.353 0.000 1.151 132 V CA -0.814 61.234 62.300 -0.421 0.000 0.929 132 V CB 2.139 33.448 31.823 -0.856 0.000 1.030 132 V HN 0.418 nan 8.190 nan 0.000 0.427 133 V N 5.715 125.481 119.914 -0.248 0.000 2.320 133 V HA 0.198 4.318 4.120 0.001 0.000 0.265 133 V C 1.313 177.348 176.094 -0.098 0.000 1.048 133 V CA -0.166 62.050 62.300 -0.139 0.000 0.865 133 V CB 1.131 32.920 31.823 -0.057 0.000 1.043 133 V HN 0.818 nan 8.190 nan 0.000 0.474 134 L N 4.092 125.272 121.223 -0.072 0.000 2.064 134 L HA -0.210 4.131 4.340 0.001 0.000 0.216 134 L C 1.983 178.917 176.870 0.108 0.000 1.077 134 L CA 2.491 57.349 54.840 0.029 0.000 0.766 134 L CB -0.576 41.585 42.059 0.170 0.000 0.890 134 L HN 0.672 nan 8.230 nan 0.000 0.435 135 F N 1.084 121.005 119.950 -0.048 0.000 2.216 135 F HA -0.188 4.340 4.527 0.001 0.000 0.300 135 F C 2.423 178.186 175.800 -0.061 0.000 1.085 135 F CA 1.496 59.435 58.000 -0.102 0.000 1.326 135 F CB -0.012 38.870 39.000 -0.197 0.000 1.027 135 F HN 0.183 nan 8.300 nan 0.000 0.497 136 E N -0.009 120.162 120.200 -0.048 0.000 2.158 136 E HA -0.113 4.237 4.350 0.001 0.000 0.191 136 E C 2.097 178.656 176.600 -0.069 0.000 0.982 136 E CA 0.696 57.034 56.400 -0.104 0.000 0.823 136 E CB -0.381 29.305 29.700 -0.024 0.000 0.766 136 E HN 0.476 nan 8.360 nan 0.000 0.468 137 E N 0.864 121.075 120.200 0.020 0.000 2.152 137 E HA -0.035 4.316 4.350 0.001 0.000 0.192 137 E C 1.936 178.613 176.600 0.130 0.000 0.983 137 E CA 0.826 57.326 56.400 0.166 0.000 0.818 137 E CB -0.047 29.895 29.700 0.404 0.000 0.758 137 E HN 0.177 nan 8.360 nan 0.000 0.467 138 A N 1.481 124.362 122.820 0.100 0.000 1.873 138 A HA -0.177 4.143 4.320 0.001 0.000 0.215 138 A C 2.139 179.656 177.584 -0.112 0.000 1.186 138 A CA 1.507 53.579 52.037 0.058 0.000 0.616 138 A CB -0.343 18.705 19.000 0.080 0.000 0.823 138 A HN 0.089 nan 8.150 nan 0.000 0.442 139 K N -0.288 119.962 120.400 -0.250 0.000 2.034 139 K HA -0.224 4.096 4.320 0.001 0.000 0.214 139 K C 2.112 178.652 176.600 -0.098 0.000 1.051 139 K CA 2.075 58.221 56.287 -0.236 0.000 0.931 139 K CB -0.207 32.083 32.500 -0.350 0.000 0.715 139 K HN 0.638 nan 8.250 nan 0.000 0.446 140 E N 0.350 120.498 120.200 -0.087 0.000 2.007 140 E HA -0.211 4.139 4.350 0.001 0.000 0.194 140 E C 2.148 178.705 176.600 -0.072 0.000 0.999 140 E CA 1.524 57.892 56.400 -0.054 0.000 0.811 140 E CB -0.209 29.467 29.700 -0.040 0.000 0.762 140 E HN 0.267 nan 8.360 nan 0.000 0.450 141 I N 1.168 121.657 120.570 -0.136 0.000 2.113 141 I HA -0.353 3.817 4.170 0.001 0.000 0.242 141 I C 2.592 178.596 176.117 -0.189 0.000 1.064 141 I CA 1.254 62.410 61.300 -0.240 0.000 1.320 141 I CB -0.396 37.298 38.000 -0.510 0.000 1.028 141 I HN 0.138 nan 8.210 nan 0.000 0.406 142 L N -0.098 121.033 121.223 -0.155 0.000 2.012 142 L HA -0.318 4.022 4.340 0.001 0.000 0.210 142 L C 2.876 179.749 176.870 0.006 0.000 1.073 142 L CA 1.573 56.365 54.840 -0.079 0.000 0.748 142 L CB -0.605 41.433 42.059 -0.036 0.000 0.891 142 L HN 0.514 nan 8.230 nan 0.000 0.431 143 C N 0.027 119.357 119.300 0.050 0.000 2.429 143 C HA -0.190 4.271 4.460 0.001 0.000 0.277 143 C C 3.118 178.203 174.990 0.159 0.000 1.262 143 C CA 1.150 60.265 59.018 0.161 0.000 1.733 143 C CB -0.800 27.055 27.740 0.191 0.000 2.010 143 C HN 0.473 nan 8.230 nan 0.000 0.483 144 R N -0.136 120.409 120.500 0.076 0.000 2.092 144 R HA -0.075 4.266 4.340 0.001 0.000 0.231 144 R C 2.081 178.443 176.300 0.104 0.000 1.119 144 R CA 1.953 58.096 56.100 0.071 0.000 0.970 144 R CB -0.233 30.058 30.300 -0.014 0.000 0.864 144 R HN 0.493 nan 8.270 nan 0.000 0.440 145 V N 0.887 120.836 119.914 0.058 0.000 2.283 145 V HA -0.154 3.967 4.120 0.001 0.000 0.243 145 V C 2.493 178.719 176.094 0.220 0.000 1.039 145 V CA 1.733 64.096 62.300 0.105 0.000 1.016 145 V CB -0.623 31.186 31.823 -0.023 0.000 0.650 145 V HN 0.505 nan 8.190 nan 0.000 0.449 146 A N -0.628 122.290 122.820 0.164 0.000 1.884 146 A HA -0.323 3.998 4.320 0.001 0.000 0.219 146 A C 2.389 180.177 177.584 0.340 0.000 1.197 146 A CA 2.602 54.781 52.037 0.237 0.000 0.637 146 A CB -1.311 17.776 19.000 0.145 0.000 0.827 146 A HN 0.603 nan 8.150 nan 0.000 0.450 147 C N -2.652 116.819 119.300 0.285 0.000 2.413 147 C HA -0.117 4.343 4.460 0.001 0.000 0.278 147 C C 2.451 177.578 174.990 0.229 0.000 1.224 147 C CA 1.057 60.228 59.018 0.255 0.000 1.732 147 C CB -1.641 26.274 27.740 0.291 0.000 2.050 147 C HN 0.706 nan 8.230 nan 0.000 0.463 148 Y N 0.357 120.740 120.300 0.139 0.000 2.030 148 Y HA -0.326 4.225 4.550 0.000 0.000 0.272 148 Y C 2.415 178.393 175.900 0.130 0.000 1.185 148 Y CA 2.223 60.389 58.100 0.110 0.000 1.120 148 Y CB -0.981 37.539 38.460 0.100 0.000 0.955 148 Y HN 0.585 nan 8.280 nan 0.000 0.495 149 W N 0.584 121.874 121.300 -0.018 0.000 2.342 149 W HA -0.188 4.473 4.660 0.000 0.000 0.297 149 W C 2.180 178.634 176.519 -0.108 0.000 1.213 149 W CA 2.661 59.953 57.345 -0.089 0.000 1.251 149 W CB -0.559 28.905 29.460 0.006 0.000 1.136 149 W HN 0.132 nan 8.180 nan 0.000 0.526 150 A N -0.070 122.619 122.820 -0.218 0.000 2.208 150 A HA 0.359 4.679 4.320 0.001 0.000 0.209 150 A C 1.818 179.198 177.584 -0.340 0.000 1.161 150 A CA 1.113 52.858 52.037 -0.486 0.000 0.782 150 A CB -1.039 17.848 19.000 -0.190 0.000 0.816 150 A HN 0.974 nan 8.150 nan 0.000 0.477 151 G N -1.426 107.226 108.800 -0.247 0.000 2.136 151 G HA2 -0.173 3.788 3.960 0.001 0.000 0.242 151 G HA3 -0.173 3.788 3.960 0.001 0.000 0.242 151 G C 0.077 174.912 174.900 -0.108 0.000 0.989 151 G CA 0.141 45.124 45.100 -0.194 0.000 0.682 151 G HN 0.738 nan 8.290 nan 0.000 0.522 152 V N 1.448 121.323 119.914 -0.066 0.000 2.465 152 V HA 0.448 4.568 4.120 0.001 0.000 0.279 152 V C -1.481 174.643 176.094 0.051 0.000 1.045 152 V CA -1.429 60.837 62.300 -0.056 0.000 0.938 152 V CB 1.616 33.388 31.823 -0.085 0.000 0.986 152 V HN 0.130 nan 8.190 nan 0.000 0.467 153 P HA 0.381 nan 4.420 nan 0.000 0.276 153 P C -1.090 176.357 177.300 0.246 0.000 1.230 153 P CA -0.277 62.903 63.100 0.133 0.000 0.776 153 P CB 0.687 32.446 31.700 0.098 0.000 0.888 154 L N 3.124 124.482 121.223 0.225 0.000 2.541 154 L HA 0.344 4.684 4.340 0.001 0.000 0.266 154 L C -0.727 176.222 176.870 0.132 0.000 0.966 154 L CA -0.454 54.529 54.840 0.238 0.000 0.871 154 L CB 1.372 43.589 42.059 0.264 0.000 1.232 154 L HN 0.169 nan 8.230 nan 0.000 0.408 155 K N 2.735 123.193 120.400 0.095 0.000 2.270 155 K HA 0.159 4.480 4.320 0.001 0.000 0.276 155 K C 0.642 177.252 176.600 0.016 0.000 1.023 155 K CA -0.243 56.073 56.287 0.047 0.000 0.955 155 K CB 1.482 34.002 32.500 0.034 0.000 0.975 155 K HN 0.608 nan 8.250 nan 0.000 0.471 156 E N 1.375 121.579 120.200 0.006 0.000 2.086 156 E HA -0.213 4.137 4.350 0.001 0.000 0.200 156 E C 1.024 177.611 176.600 -0.022 0.000 1.012 156 E CA 2.345 58.739 56.400 -0.009 0.000 0.812 156 E CB -0.125 29.569 29.700 -0.011 0.000 0.743 156 E HN 0.725 nan 8.360 nan 0.000 0.453 157 T N -1.906 112.633 114.554 -0.024 0.000 3.361 157 T HA 0.040 4.390 4.350 0.001 0.000 0.251 157 T C 1.216 175.878 174.700 -0.064 0.000 1.131 157 T CA 0.806 62.883 62.100 -0.038 0.000 1.001 157 T CB 0.027 68.876 68.868 -0.031 0.000 1.003 157 T HN 0.348 nan 8.240 nan 0.000 0.558 158 E N -0.015 120.142 120.200 -0.073 0.000 2.500 158 E HA 0.092 4.443 4.350 0.001 0.000 0.217 158 E C 1.522 178.028 176.600 -0.157 0.000 0.848 158 E CA 0.034 56.353 56.400 -0.135 0.000 1.217 158 E CB 0.361 29.985 29.700 -0.127 0.000 1.217 158 E HN 0.282 nan 8.360 nan 0.000 0.573 159 V N 2.704 122.568 119.914 -0.084 0.000 2.219 159 V HA -0.379 3.741 4.120 0.001 0.000 0.248 159 V C 2.265 178.305 176.094 -0.090 0.000 1.053 159 V CA 2.627 64.890 62.300 -0.062 0.000 1.009 159 V CB -0.795 31.013 31.823 -0.025 0.000 0.636 159 V HN 0.283 nan 8.190 nan 0.000 0.445 160 K N 1.362 121.713 120.400 -0.081 0.000 2.015 160 K HA -0.262 4.058 4.320 0.001 0.000 0.216 160 K C 1.797 178.326 176.600 -0.118 0.000 1.052 160 K CA 2.224 58.462 56.287 -0.082 0.000 0.937 160 K CB -1.015 31.445 32.500 -0.066 0.000 0.719 160 K HN 0.586 nan 8.250 nan 0.000 0.446 161 E N 0.200 120.306 120.200 -0.157 0.000 2.058 161 E HA -0.142 4.208 4.350 0.001 0.000 0.194 161 E C 2.186 178.610 176.600 -0.293 0.000 0.997 161 E CA 1.055 57.334 56.400 -0.203 0.000 0.801 161 E CB -0.058 29.505 29.700 -0.230 0.000 0.746 161 E HN 0.181 nan 8.360 nan 0.000 0.450 162 R N 0.333 120.600 120.500 -0.388 0.000 2.073 162 R HA 0.030 4.370 4.340 0.001 0.000 0.229 162 R C 2.245 178.297 176.300 -0.414 0.000 1.120 162 R CA 1.145 56.898 56.100 -0.579 0.000 0.967 162 R CB -0.923 28.962 30.300 -0.692 0.000 0.862 162 R HN 0.175 nan 8.270 nan 0.000 0.436 163 A N 1.651 124.382 122.820 -0.148 0.000 1.902 163 A HA -0.183 4.137 4.320 0.001 0.000 0.217 163 A C 1.615 179.204 177.584 0.009 0.000 1.181 163 A CA 1.949 54.000 52.037 0.023 0.000 0.623 163 A CB -0.408 18.593 19.000 0.003 0.000 0.818 163 A HN 0.172 nan 8.150 nan 0.000 0.443 164 D N -0.109 120.254 120.400 -0.062 0.000 2.144 164 D HA -0.071 4.570 4.640 0.001 0.000 0.200 164 D C 1.338 177.628 176.300 -0.016 0.000 0.978 164 D CA 1.304 55.289 54.000 -0.024 0.000 0.833 164 D CB -0.408 40.367 40.800 -0.042 0.000 0.961 164 D HN 0.384 nan 8.370 nan 0.000 0.470 165 D N -0.601 119.724 120.400 -0.124 0.000 2.178 165 D HA -0.113 4.528 4.640 0.001 0.000 0.201 165 D C 1.688 177.993 176.300 0.008 0.000 0.980 165 D CA 0.530 54.459 54.000 -0.118 0.000 0.842 165 D CB -0.155 40.486 40.800 -0.265 0.000 0.948 165 D HN 0.127 nan 8.370 nan 0.000 0.472 166 F N 0.518 120.517 119.950 0.082 0.000 2.113 166 F HA -0.093 4.434 4.527 0.001 0.000 0.297 166 F C 2.283 178.167 175.800 0.140 0.000 1.103 166 F CA 0.398 58.471 58.000 0.122 0.000 1.248 166 F CB -0.616 38.463 39.000 0.130 0.000 0.999 166 F HN -0.018 nan 8.300 nan 0.000 0.475 167 I N 0.115 120.888 120.570 0.338 0.000 2.286 167 I HA -0.252 3.918 4.170 0.001 0.000 0.248 167 I C 1.825 178.096 176.117 0.257 0.000 1.115 167 I CA 1.428 62.916 61.300 0.313 0.000 1.392 167 I CB -1.272 36.889 38.000 0.268 0.000 1.065 167 I HN 0.078 nan 8.210 nan 0.000 0.418 168 D N 0.228 120.735 120.400 0.178 0.000 2.263 168 D HA -0.146 4.495 4.640 0.001 0.000 0.208 168 D C 2.355 178.728 176.300 0.123 0.000 0.971 168 D CA 0.902 54.979 54.000 0.127 0.000 0.867 168 D CB -0.040 40.808 40.800 0.080 0.000 0.929 168 D HN 0.314 nan 8.370 nan 0.000 0.492 169 M N -0.588 119.110 119.600 0.164 0.000 2.193 169 M HA -0.071 4.409 4.480 0.001 0.000 0.265 169 M C 2.128 178.536 176.300 0.180 0.000 1.071 169 M CA 0.680 56.071 55.300 0.152 0.000 1.140 169 M CB 0.057 32.778 32.600 0.200 0.000 1.369 169 M HN -0.099 nan 8.290 nan 0.000 0.423 170 V N 0.271 120.330 119.914 0.242 0.000 2.358 170 V HA -0.242 3.878 4.120 0.001 0.000 0.246 170 V C 1.461 177.673 176.094 0.197 0.000 1.047 170 V CA 1.966 64.450 62.300 0.307 0.000 1.035 170 V CB -0.658 31.367 31.823 0.338 0.000 0.658 170 V HN 0.408 nan 8.190 nan 0.000 0.452 171 D N -0.632 119.847 120.400 0.131 0.000 2.352 171 D HA 0.110 4.750 4.640 0.001 0.000 0.232 171 D C 1.614 177.843 176.300 -0.119 0.000 1.055 171 D CA 0.807 54.804 54.000 -0.006 0.000 0.891 171 D CB 0.176 41.045 40.800 0.114 0.000 0.897 171 D HN 0.410 nan 8.370 nan 0.000 0.529 172 A N -0.653 122.123 122.820 -0.073 0.000 2.108 172 A HA 0.091 4.411 4.320 0.001 0.000 0.206 172 A C 1.611 179.196 177.584 0.003 0.000 1.212 172 A CA -0.022 52.006 52.037 -0.016 0.000 0.843 172 A CB -0.733 18.277 19.000 0.017 0.000 0.902 172 A HN 0.366 nan 8.150 nan 0.000 0.477 173 F N 0.533 120.483 119.950 0.001 0.000 2.192 173 F HA 0.008 4.535 4.527 0.000 0.000 0.301 173 F C 1.417 177.168 175.800 -0.082 0.000 1.079 173 F CA 1.144 59.103 58.000 -0.069 0.000 1.303 173 F CB -0.929 37.968 39.000 -0.172 0.000 1.024 173 F HN 0.083 nan 8.300 nan 0.000 0.494 174 G N -0.112 108.416 108.800 -0.453 0.000 4.044 174 G HA2 0.615 4.575 3.960 0.001 0.000 0.297 174 G HA3 0.615 4.575 3.960 0.001 0.000 0.297 174 G C -0.333 174.427 174.900 -0.233 0.000 1.101 174 G CA 0.155 45.111 45.100 -0.240 0.000 0.884 174 G HN 0.700 nan 8.290 nan 0.000 0.538 175 A N -0.209 122.498 122.820 -0.189 0.000 2.485 175 A HA 0.889 5.209 4.320 0.001 0.000 0.292 175 A C -0.840 176.658 177.584 -0.143 0.000 1.147 175 A CA -0.660 51.298 52.037 -0.131 0.000 0.750 175 A CB 1.944 20.897 19.000 -0.079 0.000 1.331 175 A HN 1.123 nan 8.150 nan 0.000 0.419 176 V N -1.475 118.391 119.914 -0.080 0.000 2.709 176 V HA 0.946 5.066 4.120 0.001 0.000 0.308 176 V C 0.278 176.399 176.094 0.044 0.000 1.062 176 V CA 0.333 62.594 62.300 -0.065 0.000 0.901 176 V CB 0.595 32.369 31.823 -0.082 0.000 1.003 176 V HN 2.872 nan 8.190 nan 0.000 0.425 177 G N 4.937 113.813 108.800 0.127 0.000 2.512 177 G HA2 -0.089 3.871 3.960 0.001 0.000 0.210 177 G HA3 -0.089 3.871 3.960 0.001 0.000 0.210 177 G C -1.819 173.239 174.900 0.264 0.000 1.295 177 G CA 0.003 45.218 45.100 0.192 0.000 0.934 177 G HN 0.706 nan 8.290 nan 0.000 0.554 178 P HA -0.153 nan 4.420 nan 0.000 0.218 178 P C 2.032 179.432 177.300 0.168 0.000 1.154 178 P CA 2.079 65.283 63.100 0.172 0.000 0.872 178 P CB -0.098 31.653 31.700 0.085 0.000 0.790 179 R N -2.218 118.354 120.500 0.120 0.000 2.092 179 R HA -0.174 4.167 4.340 0.001 0.000 0.231 179 R C 2.407 178.772 176.300 0.108 0.000 1.119 179 R CA 1.318 57.470 56.100 0.086 0.000 0.970 179 R CB -0.739 29.582 30.300 0.035 0.000 0.864 179 R HN 0.315 nan 8.270 nan 0.000 0.440 180 H N -0.822 118.256 119.070 0.014 0.000 2.326 180 H HA -0.145 4.411 4.556 0.000 0.000 0.301 180 H C 1.544 176.854 175.328 -0.031 0.000 1.081 180 H CA 1.804 57.819 56.048 -0.056 0.000 1.334 180 H CB -0.279 29.405 29.762 -0.131 0.000 1.385 180 H HN 0.206 nan 8.280 nan 0.000 0.504 181 W N 1.357 122.618 121.300 -0.066 0.000 2.363 181 W HA -0.114 4.546 4.660 0.000 0.000 0.296 181 W C 2.405 178.868 176.519 -0.093 0.000 1.212 181 W CA 0.858 58.139 57.345 -0.107 0.000 1.260 181 W CB 0.103 29.545 29.460 -0.030 0.000 1.131 181 W HN 0.095 nan 8.180 nan 0.000 0.530 182 K N -0.576 119.937 120.400 0.189 0.000 2.113 182 K HA -0.159 4.162 4.320 0.001 0.000 0.208 182 K C 2.071 178.710 176.600 0.065 0.000 1.047 182 K CA 1.624 57.976 56.287 0.110 0.000 0.928 182 K CB -0.969 31.579 32.500 0.080 0.000 0.716 182 K HN 0.331 nan 8.250 nan 0.000 0.446 183 G N 0.337 109.141 108.800 0.007 0.000 2.683 183 G HA2 -0.112 3.848 3.960 0.001 0.000 0.213 183 G HA3 -0.112 3.848 3.960 0.001 0.000 0.213 183 G C 1.452 176.301 174.900 -0.085 0.000 1.142 183 G CA -0.207 44.879 45.100 -0.023 0.000 0.793 183 G HN 0.093 nan 8.290 nan 0.000 0.534 184 R N 0.170 120.569 120.500 -0.167 0.000 2.276 184 R HA 0.170 4.510 4.340 0.001 0.000 0.203 184 R C 2.086 178.397 176.300 0.018 0.000 1.017 184 R CA 0.252 56.227 56.100 -0.208 0.000 1.010 184 R CB -0.008 29.965 30.300 -0.545 0.000 0.900 184 R HN 0.348 nan 8.270 nan 0.000 0.469 185 R N -0.905 119.655 120.500 0.099 0.000 2.221 185 R HA 0.247 4.587 4.340 0.001 0.000 0.195 185 R C 2.061 178.398 176.300 0.061 0.000 0.956 185 R CA 0.656 56.827 56.100 0.119 0.000 1.064 185 R CB 0.022 30.410 30.300 0.147 0.000 1.049 185 R HN 0.025 nan 8.270 nan 0.000 0.534 186 A N 1.796 124.643 122.820 0.045 0.000 1.858 186 A HA -0.204 4.116 4.320 0.001 0.000 0.216 186 A C 2.103 179.716 177.584 0.048 0.000 1.190 186 A CA 1.535 53.588 52.037 0.027 0.000 0.617 186 A CB -0.473 18.547 19.000 0.034 0.000 0.827 186 A HN 0.205 nan 8.150 nan 0.000 0.443 187 R N 0.152 120.692 120.500 0.066 0.000 2.136 187 R HA -0.174 4.167 4.340 0.001 0.000 0.242 187 R C -0.973 175.382 176.300 0.091 0.000 1.131 187 R CA 2.469 58.624 56.100 0.092 0.000 0.937 187 R CB -1.471 28.868 30.300 0.066 0.000 0.863 187 R HN 0.382 nan 8.270 nan 0.000 0.435 188 P HA -0.144 nan 4.420 nan 0.000 0.219 188 P C 0.475 177.822 177.300 0.078 0.000 1.146 188 P CA 1.520 64.663 63.100 0.072 0.000 0.808 188 P CB -0.045 31.694 31.700 0.065 0.000 0.779 189 R N -0.983 119.556 120.500 0.066 0.000 2.127 189 R HA 0.130 4.470 4.340 0.001 0.000 0.217 189 R C 2.184 178.560 176.300 0.126 0.000 1.074 189 R CA 1.148 57.282 56.100 0.056 0.000 0.991 189 R CB -0.677 29.614 30.300 -0.014 0.000 0.895 189 R HN 0.154 nan 8.270 nan 0.000 0.450 190 A N 1.544 124.457 122.820 0.154 0.000 1.872 190 A HA -0.132 4.188 4.320 0.001 0.000 0.214 190 A C 1.876 179.640 177.584 0.300 0.000 1.187 190 A CA 0.998 53.226 52.037 0.318 0.000 0.614 190 A CB -0.267 18.913 19.000 0.300 0.000 0.826 190 A HN 0.229 nan 8.150 nan 0.000 0.442 191 E N -0.209 120.108 120.200 0.196 0.000 2.049 191 E HA -0.271 4.079 4.350 0.001 0.000 0.198 191 E C 2.097 178.766 176.600 0.115 0.000 1.007 191 E CA 1.403 57.884 56.400 0.134 0.000 0.809 191 E CB -0.274 29.490 29.700 0.106 0.000 0.749 191 E HN 0.809 nan 8.360 nan 0.000 0.450 192 E N 0.755 121.033 120.200 0.131 0.000 2.021 192 E HA -0.263 4.087 4.350 0.001 0.000 0.200 192 E C 2.002 178.697 176.600 0.160 0.000 1.015 192 E CA 1.637 58.109 56.400 0.120 0.000 0.824 192 E CB -0.438 29.330 29.700 0.114 0.000 0.762 192 E HN 0.348 nan 8.360 nan 0.000 0.454 193 W N 1.635 122.938 121.300 0.005 0.000 2.302 193 W HA -0.251 4.409 4.660 0.000 0.000 0.320 193 W C 2.087 178.613 176.519 0.012 0.000 1.241 193 W CA 1.866 59.212 57.345 0.001 0.000 1.264 193 W CB -0.544 28.908 29.460 -0.013 0.000 1.154 193 W HN 0.193 nan 8.180 nan 0.000 0.483 194 I N 0.708 121.175 120.570 -0.171 0.000 2.500 194 I HA -0.176 3.994 4.170 0.001 0.000 0.252 194 I C 2.263 178.269 176.117 -0.185 0.000 1.142 194 I CA 1.904 62.989 61.300 -0.358 0.000 1.451 194 I CB -1.678 36.160 38.000 -0.270 0.000 1.093 194 I HN 0.243 nan 8.210 nan 0.000 0.430 195 E N 0.972 121.127 120.200 -0.074 0.000 2.265 195 E HA -0.148 4.202 4.350 0.001 0.000 0.196 195 E C 2.179 178.739 176.600 -0.067 0.000 0.996 195 E CA 0.776 57.141 56.400 -0.059 0.000 0.832 195 E CB 0.288 29.981 29.700 -0.012 0.000 0.756 195 E HN 0.232 nan 8.360 nan 0.000 0.491 196 V N 0.884 120.761 119.914 -0.062 0.000 2.323 196 V HA -0.257 3.864 4.120 0.001 0.000 0.244 196 V C 2.367 178.411 176.094 -0.085 0.000 1.041 196 V CA 1.877 64.149 62.300 -0.047 0.000 1.025 196 V CB -0.366 31.453 31.823 -0.005 0.000 0.656 196 V HN 0.388 nan 8.190 nan 0.000 0.451 197 M N -0.826 118.689 119.600 -0.142 0.000 2.108 197 M HA -0.179 4.302 4.480 0.001 0.000 0.261 197 M C 2.203 178.406 176.300 -0.162 0.000 1.066 197 M CA 1.757 56.962 55.300 -0.158 0.000 1.107 197 M CB -0.526 31.931 32.600 -0.238 0.000 1.356 197 M HN 0.220 nan 8.290 nan 0.000 0.406 198 I N 0.850 121.312 120.570 -0.180 0.000 2.151 198 I HA -0.272 3.899 4.170 0.001 0.000 0.243 198 I C 2.231 178.239 176.117 -0.182 0.000 1.080 198 I CA 1.883 63.058 61.300 -0.207 0.000 1.339 198 I CB -1.220 36.672 38.000 -0.179 0.000 1.039 198 I HN 0.411 nan 8.210 nan 0.000 0.409 199 E N 0.168 120.297 120.200 -0.119 0.000 2.106 199 E HA -0.208 4.142 4.350 0.001 0.000 0.192 199 E C 1.703 178.264 176.600 -0.064 0.000 0.984 199 E CA 1.027 57.378 56.400 -0.082 0.000 0.806 199 E CB -0.046 29.624 29.700 -0.050 0.000 0.750 199 E HN 0.456 nan 8.360 nan 0.000 0.458 200 D N 0.675 121.037 120.400 -0.063 0.000 2.117 200 D HA -0.098 4.542 4.640 0.001 0.000 0.198 200 D C 1.900 178.183 176.300 -0.029 0.000 0.982 200 D CA 1.191 55.169 54.000 -0.036 0.000 0.828 200 D CB -0.229 40.551 40.800 -0.033 0.000 0.967 200 D HN 0.137 nan 8.370 nan 0.000 0.464 201 A N 1.045 123.823 122.820 -0.071 0.000 1.865 201 A HA -0.201 4.120 4.320 0.001 0.000 0.217 201 A C 2.134 179.739 177.584 0.035 0.000 1.191 201 A CA 1.425 53.432 52.037 -0.049 0.000 0.623 201 A CB -0.570 18.302 19.000 -0.214 0.000 0.826 201 A HN 0.131 nan 8.150 nan 0.000 0.444 202 R N -0.661 119.797 120.500 -0.071 0.000 2.249 202 R HA -0.060 4.280 4.340 0.001 0.000 0.230 202 R C 1.821 178.174 176.300 0.088 0.000 1.121 202 R CA 0.940 57.064 56.100 0.041 0.000 0.997 202 R CB -0.314 29.952 30.300 -0.056 0.000 0.867 202 R HN 0.516 nan 8.270 nan 0.000 0.465 203 A N -0.256 122.592 122.820 0.047 0.000 2.308 203 A HA 0.276 4.597 4.320 0.001 0.000 0.217 203 A C 1.299 178.911 177.584 0.047 0.000 1.216 203 A CA 0.472 52.532 52.037 0.039 0.000 0.864 203 A CB 0.228 19.238 19.000 0.017 0.000 0.902 203 A HN 0.349 nan 8.150 nan 0.000 0.499 204 G N -0.606 108.237 108.800 0.072 0.000 2.198 204 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 204 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 204 G C 0.583 175.507 174.900 0.040 0.000 1.025 204 G CA 0.641 45.780 45.100 0.065 0.000 0.769 204 G HN 0.488 nan 8.290 nan 0.000 0.507 205 L N -1.493 119.749 121.223 0.032 0.000 2.554 205 L HA 0.485 4.825 4.340 0.001 0.000 0.225 205 L C 0.805 177.686 176.870 0.018 0.000 1.104 205 L CA 0.071 54.923 54.840 0.020 0.000 0.866 205 L CB 0.429 42.496 42.059 0.013 0.000 1.047 205 L HN 0.309 nan 8.230 nan 0.000 0.468 206 L N 0.250 121.485 121.223 0.021 0.000 2.409 206 L HA 0.326 4.666 4.340 0.001 0.000 0.272 206 L C -0.112 176.777 176.870 0.032 0.000 0.980 206 L CA -0.443 54.406 54.840 0.015 0.000 0.826 206 L CB 1.425 43.479 42.059 -0.008 0.000 1.268 206 L HN -0.125 nan 8.230 nan 0.000 0.407 207 K N 3.571 123.988 120.400 0.028 0.000 2.416 207 K HA 0.335 4.655 4.320 0.001 0.000 0.283 207 K C -1.095 175.531 176.600 0.043 0.000 1.037 207 K CA 0.223 56.531 56.287 0.035 0.000 0.995 207 K CB 0.249 32.760 32.500 0.018 0.000 0.938 207 K HN 0.791 nan 8.250 nan 0.000 0.475 208 T N 2.703 117.314 114.554 0.096 0.000 2.876 208 T HA 0.261 4.611 4.350 0.001 0.000 0.289 208 T C -0.943 173.820 174.700 0.105 0.000 1.014 208 T CA -0.783 61.402 62.100 0.142 0.000 0.986 208 T CB 1.788 70.843 68.868 0.312 0.000 1.021 208 T HN 0.493 nan 8.240 nan 0.000 0.458 209 T N 1.937 116.478 114.554 -0.022 0.000 2.788 209 T HA 0.386 4.736 4.350 0.001 0.000 0.296 209 T C 0.463 174.949 174.700 -0.357 0.000 1.009 209 T CA -0.501 61.494 62.100 -0.175 0.000 0.949 209 T CB 1.181 69.962 68.868 -0.145 0.000 0.946 209 T HN 0.649 nan 8.240 nan 0.000 0.453 210 S N 2.528 117.809 115.700 -0.698 0.000 2.953 210 S HA 0.239 4.709 4.470 0.001 0.000 0.348 210 S C 1.579 176.000 174.600 -0.298 0.000 1.215 210 S CA 1.536 59.270 58.200 -0.775 0.000 1.019 210 S CB -0.501 62.398 63.200 -0.502 0.000 0.726 210 S HN 1.379 nan 8.310 nan 0.000 0.503 211 G N 2.764 111.474 108.800 -0.151 0.000 2.141 211 G HA2 -0.201 3.759 3.960 0.001 0.000 0.231 211 G HA3 -0.201 3.759 3.960 0.001 0.000 0.231 211 G C 0.107 174.951 174.900 -0.092 0.000 0.984 211 G CA 0.383 45.451 45.100 -0.054 0.000 0.660 211 G HN 1.448 nan 8.290 nan 0.000 0.525 212 T N -3.098 111.354 114.554 -0.171 0.000 2.912 212 T HA 0.827 5.177 4.350 0.001 0.000 0.288 212 T C 1.544 176.039 174.700 -0.340 0.000 1.030 212 T CA 0.396 62.273 62.100 -0.372 0.000 1.020 212 T CB 1.916 70.565 68.868 -0.366 0.000 1.056 212 T HN 1.421 nan 8.240 nan 0.000 0.480 213 A N 1.776 124.270 122.820 -0.543 0.000 1.892 213 A HA -0.032 4.288 4.320 0.001 0.000 0.218 213 A C 2.202 179.625 177.584 -0.269 0.000 1.188 213 A CA 1.760 53.562 52.037 -0.391 0.000 0.631 213 A CB -1.185 17.573 19.000 -0.403 0.000 0.822 213 A HN 0.923 nan 8.150 nan 0.000 0.447 214 L N -1.730 119.345 121.223 -0.246 0.000 2.042 214 L HA -0.245 4.095 4.340 0.001 0.000 0.210 214 L C 2.590 179.356 176.870 -0.173 0.000 1.076 214 L CA 2.395 57.114 54.840 -0.201 0.000 0.749 214 L CB -0.366 41.589 42.059 -0.174 0.000 0.893 214 L HN 0.717 nan 8.230 nan 0.000 0.432 215 H N -0.492 118.488 119.070 -0.151 0.000 2.307 215 H HA -0.142 4.415 4.556 0.001 0.000 0.303 215 H C 2.171 177.509 175.328 0.017 0.000 1.073 215 H CA 1.744 57.790 56.048 -0.003 0.000 1.338 215 H CB 0.268 30.060 29.762 0.051 0.000 1.389 215 H HN 0.221 nan 8.280 nan 0.000 0.503 216 E N 0.019 120.259 120.200 0.067 0.000 2.153 216 E HA -0.137 4.213 4.350 0.001 0.000 0.194 216 E C 2.071 178.609 176.600 -0.104 0.000 0.988 216 E CA 0.801 57.214 56.400 0.020 0.000 0.811 216 E CB -0.057 29.617 29.700 -0.042 0.000 0.746 216 E HN 0.585 nan 8.360 nan 0.000 0.466 217 M N 0.027 119.499 119.600 -0.213 0.000 2.193 217 M HA 0.075 4.556 4.480 0.001 0.000 0.265 217 M C 2.362 178.503 176.300 -0.265 0.000 1.071 217 M CA 1.022 56.174 55.300 -0.247 0.000 1.140 217 M CB -1.221 31.218 32.600 -0.269 0.000 1.369 217 M HN 0.033 nan 8.290 nan 0.000 0.423 218 A N -0.194 122.368 122.820 -0.430 0.000 1.940 218 A HA -0.113 4.208 4.320 0.001 0.000 0.219 218 A C 1.428 178.491 177.584 -0.869 0.000 1.176 218 A CA 1.472 53.078 52.037 -0.718 0.000 0.631 218 A CB -0.717 17.658 19.000 -1.043 0.000 0.814 218 A HN 0.431 nan 8.150 nan 0.000 0.446 219 F N -1.340 118.492 119.950 -0.196 0.000 2.639 219 F HA 0.256 4.783 4.527 0.000 0.000 0.302 219 F C 0.818 176.588 175.800 -0.050 0.000 1.097 219 F CA -1.027 56.882 58.000 -0.153 0.000 1.294 219 F CB -0.830 38.015 39.000 -0.258 0.000 1.027 219 F HN 0.333 nan 8.300 nan 0.000 0.550 220 H N 1.099 120.144 119.070 -0.041 0.000 2.822 220 H HA 0.332 4.888 4.556 0.000 0.000 0.373 220 H C -0.151 175.186 175.328 0.016 0.000 1.223 220 H CA 0.329 56.358 56.048 -0.032 0.000 1.436 220 H CB 0.674 30.372 29.762 -0.106 0.000 1.439 220 H HN 0.078 nan 8.280 nan 0.000 0.618 221 T N 2.658 116.756 114.554 -0.760 0.000 2.937 221 T HA 0.297 4.648 4.350 0.001 0.000 0.297 221 T C -0.376 174.075 174.700 -0.415 0.000 0.991 221 T CA -1.113 60.734 62.100 -0.422 0.000 0.990 221 T CB 1.347 70.121 68.868 -0.158 0.000 0.991 221 T HN 0.651 nan 8.240 nan 0.000 0.440 222 Q N 1.490 121.215 119.800 -0.125 0.000 2.631 222 Q HA 0.208 4.549 4.340 0.001 0.000 0.210 222 Q C 1.163 177.168 176.000 0.008 0.000 1.094 222 Q CA -0.527 55.365 55.803 0.149 0.000 1.055 222 Q CB 1.035 29.843 28.738 0.117 0.000 1.261 222 Q HN 0.697 nan 8.270 nan 0.000 0.615 223 E N 0.900 121.019 120.200 -0.135 0.000 2.051 223 E HA -0.235 4.115 4.350 0.001 0.000 0.192 223 E C 1.307 177.829 176.600 -0.130 0.000 0.991 223 E CA 1.620 57.844 56.400 -0.293 0.000 0.799 223 E CB -0.127 29.437 29.700 -0.227 0.000 0.748 223 E HN 0.667 nan 8.360 nan 0.000 0.449 224 D N -0.766 119.599 120.400 -0.058 0.000 2.351 224 D HA -0.069 4.571 4.640 0.001 0.000 0.216 224 D C 1.336 177.614 176.300 -0.038 0.000 0.968 224 D CA 1.059 55.037 54.000 -0.037 0.000 0.899 224 D CB -0.058 40.735 40.800 -0.012 0.000 0.907 224 D HN 0.295 nan 8.370 nan 0.000 0.514 225 G N -0.473 108.299 108.800 -0.046 0.000 2.195 225 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 225 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 225 G C 0.431 175.314 174.900 -0.028 0.000 0.984 225 G CA 0.359 45.434 45.100 -0.041 0.000 0.633 225 G HN 0.913 nan 8.290 nan 0.000 0.525 226 S N 0.226 115.915 115.700 -0.017 0.000 2.646 226 S HA 0.689 5.159 4.470 0.001 0.000 0.276 226 S C 0.223 174.817 174.600 -0.010 0.000 1.222 226 S CA 0.273 58.468 58.200 -0.008 0.000 1.014 226 S CB 1.503 64.704 63.200 0.002 0.000 0.991 226 S HN 0.974 nan 8.310 nan 0.000 0.533 227 Q N 1.249 121.046 119.800 -0.004 0.000 2.212 227 Q HA 0.559 4.899 4.340 0.001 0.000 0.238 227 Q C -0.504 175.506 176.000 0.017 0.000 0.955 227 Q CA -1.024 54.778 55.803 -0.002 0.000 0.906 227 Q CB 0.416 29.153 28.738 -0.001 0.000 1.215 227 Q HN 0.679 nan 8.270 nan 0.000 0.478 228 L N 1.831 123.076 121.223 0.037 0.000 2.485 228 L HA 0.038 4.378 4.340 0.001 0.000 0.275 228 L C -0.367 176.505 176.870 0.003 0.000 1.207 228 L CA -0.158 54.705 54.840 0.039 0.000 0.855 228 L CB -0.005 42.084 42.059 0.050 0.000 1.114 228 L HN 0.668 nan 8.230 nan 0.000 0.485 229 D N 0.491 120.898 120.400 0.011 0.000 2.472 229 D HA -0.026 4.614 4.640 0.001 0.000 0.237 229 D C 1.264 177.553 176.300 -0.018 0.000 1.141 229 D CA 0.297 54.298 54.000 0.001 0.000 0.875 229 D CB 0.703 41.511 40.800 0.012 0.000 1.192 229 D HN 0.609 nan 8.370 nan 0.000 0.450 230 S N 2.394 118.075 115.700 -0.032 0.000 2.392 230 S HA -0.386 4.084 4.470 0.001 0.000 0.232 230 S C 1.823 176.400 174.600 -0.038 0.000 1.041 230 S CA 1.433 59.601 58.200 -0.054 0.000 1.026 230 S CB -0.287 62.882 63.200 -0.052 0.000 0.845 230 S HN 0.548 nan 8.310 nan 0.000 0.465 231 R N 0.794 121.287 120.500 -0.012 0.000 2.073 231 R HA 0.003 4.344 4.340 0.001 0.000 0.234 231 R C 2.391 178.700 176.300 0.014 0.000 1.134 231 R CA 1.829 57.933 56.100 0.006 0.000 0.952 231 R CB -0.669 29.643 30.300 0.020 0.000 0.850 231 R HN 0.463 nan 8.270 nan 0.000 0.433 232 M N 0.355 119.966 119.600 0.018 0.000 2.159 232 M HA 0.071 4.551 4.480 0.001 0.000 0.263 232 M C 1.939 178.248 176.300 0.014 0.000 1.063 232 M CA 1.908 57.227 55.300 0.032 0.000 1.110 232 M CB -0.466 32.160 32.600 0.043 0.000 1.374 232 M HN 0.292 nan 8.290 nan 0.000 0.411 233 A N -0.467 122.339 122.820 -0.024 0.000 1.969 233 A HA 0.131 4.451 4.320 0.001 0.000 0.218 233 A C 2.329 179.871 177.584 -0.071 0.000 1.169 233 A CA 1.755 53.750 52.037 -0.071 0.000 0.635 233 A CB -1.234 17.695 19.000 -0.118 0.000 0.810 233 A HN 0.613 nan 8.150 nan 0.000 0.445 234 A N 0.341 123.133 122.820 -0.046 0.000 1.841 234 A HA -0.072 4.249 4.320 0.001 0.000 0.214 234 A C 2.068 179.667 177.584 0.025 0.000 1.195 234 A CA 1.420 53.436 52.037 -0.034 0.000 0.611 234 A CB -0.721 18.269 19.000 -0.016 0.000 0.835 234 A HN 0.449 nan 8.150 nan 0.000 0.443 235 I N -0.497 120.108 120.570 0.058 0.000 2.181 235 I HA -0.320 3.850 4.170 0.001 0.000 0.247 235 I C 2.527 178.721 176.117 0.129 0.000 1.081 235 I CA 1.950 63.313 61.300 0.104 0.000 1.340 235 I CB -0.358 37.703 38.000 0.101 0.000 1.036 235 I HN 0.309 nan 8.210 nan 0.000 0.417 236 E N 0.336 120.600 120.200 0.106 0.000 2.152 236 E HA -0.108 4.242 4.350 0.001 0.000 0.192 236 E C 2.013 178.663 176.600 0.082 0.000 0.983 236 E CA 0.633 57.136 56.400 0.172 0.000 0.818 236 E CB -0.145 29.577 29.700 0.037 0.000 0.758 236 E HN 0.351 nan 8.360 nan 0.000 0.467 237 L N 0.117 121.331 121.223 -0.014 0.000 2.240 237 L HA 0.026 4.367 4.340 0.001 0.000 0.211 237 L C 1.732 178.622 176.870 0.033 0.000 1.106 237 L CA 0.887 55.695 54.840 -0.053 0.000 0.793 237 L CB -0.131 41.859 42.059 -0.113 0.000 0.927 237 L HN 0.202 nan 8.230 nan 0.000 0.446 238 I N -0.033 120.590 120.570 0.087 0.000 2.439 238 I HA -0.222 3.949 4.170 0.001 0.000 0.251 238 I C 1.433 177.611 176.117 0.101 0.000 1.139 238 I CA 0.564 61.943 61.300 0.132 0.000 1.438 238 I CB -0.218 37.910 38.000 0.214 0.000 1.085 238 I HN 0.255 nan 8.210 nan 0.000 0.427 239 N N 0.305 119.106 118.700 0.169 0.000 2.501 239 N HA -0.008 4.732 4.740 0.001 0.000 0.195 239 N C 1.133 176.773 175.510 0.218 0.000 1.213 239 N CA 0.528 53.683 53.050 0.174 0.000 0.864 239 N CB 0.698 39.285 38.487 0.166 0.000 0.999 239 N HN 0.224 nan 8.380 nan 0.000 0.454 240 V N -0.554 119.467 119.914 0.180 0.000 2.950 240 V HA 0.080 4.200 4.120 0.001 0.000 0.231 240 V C 2.149 178.275 176.094 0.053 0.000 1.205 240 V CA 0.129 62.537 62.300 0.179 0.000 1.239 240 V CB -0.055 31.878 31.823 0.182 0.000 1.050 240 V HN 0.045 nan 8.190 nan 0.000 0.498 241 L N 0.339 121.544 121.223 -0.031 0.000 1.994 241 L HA -0.168 4.172 4.340 0.001 0.000 0.208 241 L C 2.712 179.257 176.870 -0.540 0.000 1.071 241 L CA 2.123 56.838 54.840 -0.207 0.000 0.745 241 L CB -0.643 41.302 42.059 -0.191 0.000 0.892 241 L HN 0.274 nan 8.230 nan 0.000 0.431 242 R N 0.106 120.186 120.500 -0.700 0.000 2.096 242 R HA -0.191 4.150 4.340 0.001 0.000 0.240 242 R C -0.241 175.954 176.300 -0.175 0.000 1.139 242 R CA 2.031 57.778 56.100 -0.588 0.000 0.952 242 R CB -1.230 28.969 30.300 -0.169 0.000 0.854 242 R HN 0.241 nan 8.270 nan 0.000 0.436 243 P HA -0.139 nan 4.420 nan 0.000 0.215 243 P C 1.212 178.527 177.300 0.025 0.000 1.153 243 P CA 1.384 64.487 63.100 0.006 0.000 0.853 243 P CB -0.061 31.643 31.700 0.007 0.000 0.788 244 I N -1.212 119.347 120.570 -0.018 0.000 2.208 244 I HA -0.201 3.970 4.170 0.001 0.000 0.245 244 I C 1.986 178.118 176.117 0.025 0.000 1.097 244 I CA 1.369 62.665 61.300 -0.007 0.000 1.363 244 I CB -0.704 37.267 38.000 -0.049 0.000 1.051 244 I HN -0.167 nan 8.210 nan 0.000 0.413 245 V N 1.061 120.974 119.914 -0.001 0.000 2.759 245 V HA -0.187 3.933 4.120 0.001 0.000 0.256 245 V C 2.579 178.753 176.094 0.134 0.000 1.080 245 V CA 1.578 63.913 62.300 0.058 0.000 1.101 245 V CB -0.910 30.978 31.823 0.108 0.000 0.698 245 V HN 0.482 nan 8.190 nan 0.000 0.477 246 A N -0.158 122.773 122.820 0.186 0.000 2.119 246 A HA -0.009 4.311 4.320 0.001 0.000 0.217 246 A C 2.019 179.817 177.584 0.356 0.000 1.153 246 A CA 0.900 53.145 52.037 0.347 0.000 0.692 246 A CB -0.570 18.632 19.000 0.338 0.000 0.799 246 A HN 0.534 nan 8.150 nan 0.000 0.458 247 I N 0.198 120.917 120.570 0.249 0.000 3.010 247 I HA -0.185 3.985 4.170 0.001 0.000 0.271 247 I C 2.121 178.388 176.117 0.251 0.000 1.293 247 I CA 0.604 62.069 61.300 0.276 0.000 1.452 247 I CB -0.185 37.956 38.000 0.235 0.000 1.082 247 I HN 0.224 nan 8.210 nan 0.000 0.484 248 S N 0.298 116.113 115.700 0.191 0.000 2.359 248 S HA -0.209 4.262 4.470 0.001 0.000 0.224 248 S C 1.774 176.461 174.600 0.144 0.000 1.035 248 S CA 1.422 59.671 58.200 0.081 0.000 1.018 248 S CB -0.356 62.709 63.200 -0.226 0.000 0.876 248 S HN 0.372 nan 8.310 nan 0.000 0.448 249 Y N 1.004 121.311 120.300 0.012 0.000 2.006 249 Y HA -0.193 4.357 4.550 0.000 0.000 0.266 249 Y C 2.287 178.061 175.900 -0.210 0.000 1.133 249 Y CA 1.432 59.349 58.100 -0.304 0.000 1.098 249 Y CB -1.048 36.903 38.460 -0.847 0.000 0.969 249 Y HN 0.119 nan 8.280 nan 0.000 0.482 250 F N -0.622 119.360 119.950 0.053 0.000 2.082 250 F HA -0.307 4.221 4.527 0.001 0.000 0.298 250 F C 2.212 178.071 175.800 0.098 0.000 1.091 250 F CA 1.251 59.355 58.000 0.173 0.000 1.230 250 F CB -1.430 37.705 39.000 0.225 0.000 0.983 250 F HN 0.061 nan 8.300 nan 0.000 0.485 251 L N -0.727 120.669 121.223 0.287 0.000 2.083 251 L HA -0.180 4.160 4.340 0.001 0.000 0.209 251 L C 2.411 179.289 176.870 0.012 0.000 1.083 251 L CA 1.094 56.035 54.840 0.168 0.000 0.752 251 L CB -1.108 41.081 42.059 0.218 0.000 0.899 251 L HN -0.055 nan 8.230 nan 0.000 0.433 252 V N -1.690 118.176 119.914 -0.080 0.000 2.548 252 V HA -0.224 3.896 4.120 0.001 0.000 0.249 252 V C 2.221 178.059 176.094 -0.426 0.000 1.055 252 V CA 1.121 63.253 62.300 -0.280 0.000 1.065 252 V CB -0.600 31.026 31.823 -0.330 0.000 0.681 252 V HN 0.221 nan 8.190 nan 0.000 0.462 253 F N 0.644 120.400 119.950 -0.323 0.000 2.206 253 F HA -0.070 4.457 4.527 0.000 0.000 0.298 253 F C 2.658 178.169 175.800 -0.481 0.000 1.090 253 F CA 1.237 58.873 58.000 -0.606 0.000 1.323 253 F CB -0.937 37.655 39.000 -0.680 0.000 1.028 253 F HN 0.036 nan 8.300 nan 0.000 0.492 254 S N 0.060 115.755 115.700 -0.009 0.000 2.359 254 S HA -0.226 4.244 4.470 0.001 0.000 0.224 254 S C 2.397 177.027 174.600 0.051 0.000 1.035 254 S CA 1.269 59.543 58.200 0.122 0.000 1.018 254 S CB -0.731 62.562 63.200 0.155 0.000 0.876 254 S HN 0.362 nan 8.310 nan 0.000 0.448 255 A N 1.776 124.484 122.820 -0.187 0.000 1.873 255 A HA 0.011 4.331 4.320 0.001 0.000 0.215 255 A C 2.081 179.427 177.584 -0.397 0.000 1.186 255 A CA 1.108 52.949 52.037 -0.327 0.000 0.616 255 A CB -0.842 17.745 19.000 -0.688 0.000 0.823 255 A HN 0.441 nan 8.150 nan 0.000 0.442 256 L N -0.256 120.596 121.223 -0.620 0.000 2.081 256 L HA -0.231 4.109 4.340 0.001 0.000 0.212 256 L C 2.633 179.494 176.870 -0.016 0.000 1.080 256 L CA 2.514 57.179 54.840 -0.291 0.000 0.754 256 L CB -1.165 40.756 42.059 -0.230 0.000 0.893 256 L HN 0.430 nan 8.230 nan 0.000 0.433 257 A N -0.322 122.464 122.820 -0.057 0.000 1.873 257 A HA -0.225 4.095 4.320 0.001 0.000 0.215 257 A C 2.176 179.853 177.584 0.154 0.000 1.186 257 A CA 1.497 53.488 52.037 -0.077 0.000 0.616 257 A CB -0.797 17.918 19.000 -0.474 0.000 0.823 257 A HN 0.433 nan 8.150 nan 0.000 0.442 258 L N -0.831 120.592 121.223 0.333 0.000 2.187 258 L HA -0.190 4.150 4.340 0.001 0.000 0.213 258 L C 2.301 179.346 176.870 0.292 0.000 1.100 258 L CA 2.498 57.542 54.840 0.340 0.000 0.765 258 L CB -0.626 41.554 42.059 0.202 0.000 0.904 258 L HN 0.675 nan 8.230 nan 0.000 0.437 259 H N -0.390 118.773 119.070 0.155 0.000 2.294 259 H HA -0.028 4.528 4.556 0.000 0.000 0.306 259 H C 1.970 177.339 175.328 0.067 0.000 1.065 259 H CA 1.935 58.077 56.048 0.156 0.000 1.343 259 H CB 0.047 29.976 29.762 0.279 0.000 1.396 259 H HN 0.398 nan 8.280 nan 0.000 0.506 260 E N -0.546 119.586 120.200 -0.113 0.000 2.409 260 E HA -0.101 4.249 4.350 0.001 0.000 0.198 260 E C -0.045 176.265 176.600 -0.483 0.000 1.024 260 E CA 0.483 56.659 56.400 -0.372 0.000 0.861 260 E CB 0.170 29.622 29.700 -0.412 0.000 0.788 260 E HN 0.590 nan 8.360 nan 0.000 0.521 261 H N -1.271 117.876 119.070 0.128 0.000 2.535 261 H HA 0.169 4.726 4.556 0.000 0.000 0.232 261 H C -1.997 173.522 175.328 0.319 0.000 1.405 261 H CA -2.153 54.059 56.048 0.272 0.000 1.224 261 H CB 0.578 30.584 29.762 0.407 0.000 1.763 261 H HN 0.035 nan 8.280 nan 0.000 0.529 262 P HA -0.310 nan 4.420 nan 0.000 0.219 262 P C 1.749 179.152 177.300 0.173 0.000 1.161 262 P CA 2.306 65.505 63.100 0.166 0.000 0.909 262 P CB 0.344 32.090 31.700 0.077 0.000 0.793 263 K N -1.546 118.927 120.400 0.120 0.000 2.127 263 K HA -0.225 4.095 4.320 0.001 0.000 0.208 263 K C 1.669 178.257 176.600 -0.020 0.000 1.047 263 K CA 1.901 58.178 56.287 -0.017 0.000 0.927 263 K CB -1.491 30.902 32.500 -0.179 0.000 0.716 263 K HN 0.203 nan 8.250 nan 0.000 0.450 264 Y N 1.402 121.848 120.300 0.243 0.000 2.632 264 Y HA 0.030 4.580 4.550 0.001 0.000 0.301 264 Y C 2.284 178.394 175.900 0.349 0.000 1.172 264 Y CA 0.554 58.865 58.100 0.353 0.000 1.328 264 Y CB -0.088 38.699 38.460 0.546 0.000 1.016 264 Y HN 0.115 nan 8.280 nan 0.000 0.529 265 K N 0.573 121.162 120.400 0.316 0.000 1.980 265 K HA -0.207 4.113 4.320 0.001 0.000 0.208 265 K C 2.050 178.742 176.600 0.155 0.000 1.043 265 K CA 1.578 57.976 56.287 0.185 0.000 0.938 265 K CB -0.049 32.522 32.500 0.118 0.000 0.724 265 K HN 0.050 nan 8.250 nan 0.000 0.438 266 E N -0.067 120.209 120.200 0.127 0.000 2.204 266 E HA -0.208 4.142 4.350 0.001 0.000 0.195 266 E C 1.530 178.205 176.600 0.125 0.000 0.990 266 E CA 1.274 57.722 56.400 0.080 0.000 0.821 266 E CB -0.272 29.462 29.700 0.056 0.000 0.750 266 E HN 0.423 nan 8.360 nan 0.000 0.477 267 W N 0.589 121.905 121.300 0.028 0.000 2.315 267 W HA -0.222 4.438 4.660 0.001 0.000 0.323 267 W C 1.788 178.355 176.519 0.080 0.000 1.233 267 W CA 2.120 59.496 57.345 0.052 0.000 1.267 267 W CB -0.696 28.815 29.460 0.085 0.000 1.160 267 W HN 0.134 nan 8.180 nan 0.000 0.474 268 L N 0.144 121.470 121.223 0.173 0.000 2.017 268 L HA -0.233 4.108 4.340 0.001 0.000 0.208 268 L C 2.811 179.663 176.870 -0.030 0.000 1.073 268 L CA 2.024 56.850 54.840 -0.023 0.000 0.745 268 L CB -0.927 41.188 42.059 0.093 0.000 0.894 268 L HN -0.027 nan 8.230 nan 0.000 0.432 269 R N -0.593 119.919 120.500 0.020 0.000 2.127 269 R HA -0.156 4.185 4.340 0.001 0.000 0.238 269 R C 2.089 178.337 176.300 -0.087 0.000 1.134 269 R CA 1.706 57.770 56.100 -0.060 0.000 0.975 269 R CB 0.001 30.217 30.300 -0.140 0.000 0.865 269 R HN 0.259 nan 8.270 nan 0.000 0.447 270 S N -0.854 114.790 115.700 -0.094 0.000 2.503 270 S HA 0.162 4.632 4.470 0.001 0.000 0.217 270 S C 0.759 175.276 174.600 -0.138 0.000 0.999 270 S CA 0.231 58.371 58.200 -0.100 0.000 0.914 270 S CB 0.934 64.084 63.200 -0.084 0.000 0.782 270 S HN 0.547 nan 8.310 nan 0.000 0.520 271 G N 1.426 110.093 108.800 -0.223 0.000 2.509 271 G HA2 0.433 4.394 3.960 0.001 0.000 0.269 271 G HA3 0.433 4.394 3.960 0.001 0.000 0.269 271 G C 0.025 174.841 174.900 -0.140 0.000 1.416 271 G CA -0.360 44.579 45.100 -0.269 0.000 1.052 271 G HN 0.207 nan 8.290 nan 0.000 0.542 272 N N -2.209 116.405 118.700 -0.143 0.000 3.369 272 N HA 0.182 4.922 4.740 0.001 0.000 0.362 272 N C 1.550 177.018 175.510 -0.070 0.000 1.523 272 N CA -0.163 52.842 53.050 -0.075 0.000 0.684 272 N CB 1.148 39.603 38.487 -0.053 0.000 1.796 272 N HN 0.345 nan 8.380 nan 0.000 0.641 273 S N 0.204 115.880 115.700 -0.041 0.000 2.399 273 S HA -0.093 4.377 4.470 0.001 0.000 0.231 273 S C 1.737 176.332 174.600 -0.008 0.000 1.022 273 S CA 1.304 59.490 58.200 -0.023 0.000 0.983 273 S CB -0.050 63.144 63.200 -0.010 0.000 0.803 273 S HN 0.374 nan 8.310 nan 0.000 0.480 274 R N 0.249 120.740 120.500 -0.014 0.000 2.081 274 R HA -0.092 4.248 4.340 0.001 0.000 0.235 274 R C 1.970 178.291 176.300 0.035 0.000 1.131 274 R CA 1.754 57.864 56.100 0.017 0.000 0.960 274 R CB -0.232 30.078 30.300 0.017 0.000 0.856 274 R HN 0.325 nan 8.270 nan 0.000 0.436 275 E N -0.053 120.092 120.200 -0.092 0.000 2.110 275 E HA -0.134 4.217 4.350 0.001 0.000 0.193 275 E C 2.024 178.707 176.600 0.138 0.000 0.988 275 E CA 1.139 57.406 56.400 -0.221 0.000 0.804 275 E CB -0.051 29.142 29.700 -0.845 0.000 0.745 275 E HN 0.247 nan 8.360 nan 0.000 0.458 276 R N 0.400 120.943 120.500 0.071 0.000 2.075 276 R HA -0.101 4.240 4.340 0.001 0.000 0.230 276 R C 2.195 178.604 176.300 0.182 0.000 1.140 276 R CA 1.288 57.472 56.100 0.140 0.000 0.928 276 R CB -0.225 30.102 30.300 0.045 0.000 0.834 276 R HN 0.133 nan 8.270 nan 0.000 0.429 277 E N 0.302 120.561 120.200 0.098 0.000 2.197 277 E HA -0.288 4.062 4.350 0.001 0.000 0.205 277 E C 1.914 178.533 176.600 0.032 0.000 1.029 277 E CA 1.798 58.230 56.400 0.054 0.000 0.828 277 E CB -0.118 29.604 29.700 0.036 0.000 0.737 277 E HN 0.421 nan 8.360 nan 0.000 0.464 278 M N -1.222 118.464 119.600 0.143 0.000 2.288 278 M HA -0.074 4.407 4.480 0.001 0.000 0.266 278 M C 2.094 178.462 176.300 0.114 0.000 1.072 278 M CA 0.718 56.108 55.300 0.150 0.000 1.132 278 M CB -0.165 32.669 32.600 0.390 0.000 1.386 278 M HN 0.013 nan 8.290 nan 0.000 0.432 279 F N 0.522 120.563 119.950 0.152 0.000 2.259 279 F HA -0.103 4.425 4.527 0.001 0.000 0.298 279 F C 1.893 177.736 175.800 0.071 0.000 1.088 279 F CA 1.018 59.104 58.000 0.145 0.000 1.358 279 F CB -0.051 39.140 39.000 0.318 0.000 1.040 279 F HN -0.226 nan 8.300 nan 0.000 0.505 280 V N 0.313 120.352 119.914 0.207 0.000 2.244 280 V HA -0.275 3.845 4.120 0.001 0.000 0.244 280 V C 2.429 178.405 176.094 -0.195 0.000 1.042 280 V CA 1.865 64.196 62.300 0.051 0.000 1.006 280 V CB -0.866 30.974 31.823 0.030 0.000 0.641 280 V HN 0.257 nan 8.190 nan 0.000 0.446 281 Q N -0.142 119.444 119.800 -0.356 0.000 2.197 281 Q HA -0.281 4.059 4.340 0.001 0.000 0.207 281 Q C 2.209 177.778 176.000 -0.718 0.000 0.984 281 Q CA 1.986 57.385 55.803 -0.674 0.000 0.869 281 Q CB -0.346 27.708 28.738 -1.141 0.000 0.906 281 Q HN 0.732 nan 8.270 nan 0.000 0.426 282 E N 0.156 120.036 120.200 -0.533 0.000 2.158 282 E HA -0.074 4.277 4.350 0.001 0.000 0.191 282 E C 1.920 178.463 176.600 -0.095 0.000 0.982 282 E CA 0.560 56.800 56.400 -0.267 0.000 0.823 282 E CB 0.049 29.393 29.700 -0.594 0.000 0.766 282 E HN 0.105 nan 8.360 nan 0.000 0.468 283 V N 1.200 121.101 119.914 -0.022 0.000 2.358 283 V HA -0.203 3.917 4.120 0.001 0.000 0.246 283 V C 2.303 178.379 176.094 -0.029 0.000 1.047 283 V CA 2.076 64.483 62.300 0.179 0.000 1.035 283 V CB -0.528 31.341 31.823 0.078 0.000 0.658 283 V HN 0.258 nan 8.190 nan 0.000 0.452 284 R N -0.202 120.114 120.500 -0.306 0.000 2.152 284 R HA -0.120 4.220 4.340 0.001 0.000 0.232 284 R C 2.449 178.701 176.300 -0.081 0.000 1.117 284 R CA 1.219 57.087 56.100 -0.386 0.000 0.981 284 R CB -0.308 29.752 30.300 -0.400 0.000 0.870 284 R HN 0.461 nan 8.270 nan 0.000 0.451 285 R N -0.118 120.309 120.500 -0.122 0.000 2.064 285 R HA -0.100 4.240 4.340 0.001 0.000 0.221 285 R C 2.017 178.217 176.300 -0.167 0.000 1.136 285 R CA 0.923 56.917 56.100 -0.175 0.000 0.980 285 R CB -0.258 29.851 30.300 -0.319 0.000 0.876 285 R HN 0.131 nan 8.270 nan 0.000 0.437 286 Y N 0.325 120.449 120.300 -0.293 0.000 2.200 286 Y HA -0.098 4.453 4.550 0.001 0.000 0.290 286 Y C -0.148 175.624 175.900 -0.212 0.000 1.137 286 Y CA 0.978 58.866 58.100 -0.353 0.000 1.163 286 Y CB -0.129 38.090 38.460 -0.403 0.000 0.988 286 Y HN -0.032 nan 8.280 nan 0.000 0.518 287 Y N 2.417 122.605 120.300 -0.186 0.000 2.301 287 Y HA 0.301 4.851 4.550 0.000 0.000 0.325 287 Y C -1.872 173.818 175.900 -0.350 0.000 1.203 287 Y CA -3.151 54.602 58.100 -0.578 0.000 1.255 287 Y CB -0.003 37.749 38.460 -1.179 0.000 1.232 287 Y HN 0.007 nan 8.280 nan 0.000 0.501 288 P HA 0.101 nan 4.420 nan 0.000 0.279 288 P C -0.516 176.706 177.300 -0.130 0.000 1.239 288 P CA 0.379 63.149 63.100 -0.551 0.000 0.789 288 P CB 1.669 32.568 31.700 -1.333 0.000 0.933 289 F N 1.493 121.335 119.950 -0.180 0.000 1.814 289 F HA 0.260 4.787 4.527 0.000 0.000 0.234 289 F C 0.322 176.196 175.800 0.123 0.000 1.260 289 F CA 0.738 58.738 58.000 0.001 0.000 1.272 289 F CB -0.471 38.443 39.000 -0.143 0.000 2.003 289 F HN 0.355 nan 8.300 nan 0.000 0.142 290 G N 2.887 111.730 108.800 0.072 0.000 2.367 290 G HA2 0.420 4.381 3.960 0.001 0.000 0.280 290 G HA3 0.420 4.381 3.960 0.001 0.000 0.280 290 G C -2.188 172.761 174.900 0.083 0.000 1.175 290 G CA -0.593 44.456 45.100 -0.085 0.000 1.001 290 G HN 0.156 nan 8.290 nan 0.000 0.437 291 P HA 0.039 nan 4.420 nan 0.000 0.210 291 P C 0.000 177.055 177.300 -0.410 0.000 1.191 291 P CA 1.030 63.859 63.100 -0.452 0.000 0.917 291 P CB 0.105 30.958 31.700 -1.412 0.000 0.778 292 F N -4.476 115.498 119.950 0.041 0.000 3.169 292 F HA 0.572 5.099 4.527 0.001 0.000 0.325 292 F C -1.505 174.267 175.800 -0.046 0.000 1.175 292 F CA -1.880 56.119 58.000 -0.001 0.000 0.887 292 F CB 0.139 39.137 39.000 -0.003 0.000 1.457 292 F HN -0.376 nan 8.300 nan 0.000 0.496 293 L N 0.169 121.551 121.223 0.265 0.000 2.376 293 L HA 0.883 5.224 4.340 0.001 0.000 0.258 293 L C -0.226 176.771 176.870 0.212 0.000 1.013 293 L CA -1.016 53.935 54.840 0.186 0.000 0.822 293 L CB 2.300 44.430 42.059 0.118 0.000 1.388 293 L HN 1.051 nan 8.230 nan 0.000 0.413 294 G N 0.194 109.158 108.800 0.273 0.000 2.473 294 G HA2 0.866 4.827 3.960 0.001 0.000 0.321 294 G HA3 0.866 4.827 3.960 0.001 0.000 0.321 294 G C -1.437 173.603 174.900 0.233 0.000 1.200 294 G CA -0.266 45.008 45.100 0.291 0.000 0.963 294 G HN 0.850 nan 8.290 nan 0.000 0.483 295 A N 0.255 123.182 122.820 0.178 0.000 2.586 295 A HA 0.706 5.026 4.320 0.001 0.000 0.291 295 A C -1.660 175.987 177.584 0.104 0.000 1.062 295 A CA -0.573 51.461 52.037 -0.005 0.000 0.666 295 A CB 0.878 19.608 19.000 -0.450 0.000 1.281 295 A HN 0.770 nan 8.150 nan 0.000 0.421 296 L N 1.060 122.352 121.223 0.114 0.000 2.329 296 L HA 0.517 4.858 4.340 0.001 0.000 0.279 296 L C -0.420 176.543 176.870 0.154 0.000 1.014 296 L CA -1.115 53.783 54.840 0.098 0.000 0.814 296 L CB 1.918 43.983 42.059 0.009 0.000 1.257 296 L HN 0.537 nan 8.230 nan 0.000 0.424 297 V N 4.667 124.635 119.914 0.090 0.000 2.479 297 V HA 0.028 4.149 4.120 0.001 0.000 0.281 297 V C 1.080 177.114 176.094 -0.101 0.000 1.031 297 V CA 0.191 62.423 62.300 -0.113 0.000 1.038 297 V CB 0.948 32.763 31.823 -0.012 0.000 0.981 297 V HN 0.773 nan 8.190 nan 0.000 0.478 298 K N 4.004 124.308 120.400 -0.160 0.000 1.991 298 K HA 0.029 4.350 4.320 0.001 0.000 0.208 298 K C 0.669 177.242 176.600 -0.045 0.000 1.038 298 K CA 0.945 57.180 56.287 -0.086 0.000 0.943 298 K CB 0.120 32.562 32.500 -0.097 0.000 0.736 298 K HN 0.716 nan 8.250 nan 0.000 0.440 299 K N 1.582 121.967 120.400 -0.025 0.000 2.156 299 K HA 0.255 4.575 4.320 0.001 0.000 0.250 299 K C -1.282 175.371 176.600 0.089 0.000 0.955 299 K CA -0.725 55.575 56.287 0.021 0.000 0.855 299 K CB 1.349 33.858 32.500 0.015 0.000 1.101 299 K HN -0.189 nan 8.250 nan 0.000 0.434 300 D N 2.053 122.486 120.400 0.055 0.000 2.401 300 D HA 0.183 4.823 4.640 0.001 0.000 0.254 300 D C -0.722 175.652 176.300 0.124 0.000 1.192 300 D CA 0.350 54.370 54.000 0.033 0.000 0.885 300 D CB 0.036 40.841 40.800 0.008 0.000 1.147 300 D HN 0.443 nan 8.370 nan 0.000 0.478 301 F N -0.144 119.824 119.950 0.029 0.000 2.675 301 F HA 0.784 5.311 4.527 0.001 0.000 0.324 301 F C -1.487 174.391 175.800 0.129 0.000 1.106 301 F CA -1.297 56.722 58.000 0.031 0.000 0.970 301 F CB 0.960 39.925 39.000 -0.058 0.000 1.385 301 F HN 0.043 nan 8.300 nan 0.000 0.489 302 V N 1.309 121.463 119.914 0.401 0.000 2.540 302 V HA 0.470 4.591 4.120 0.001 0.000 0.302 302 V C -1.664 174.738 176.094 0.514 0.000 1.035 302 V CA -0.565 61.934 62.300 0.331 0.000 0.873 302 V CB 1.469 33.409 31.823 0.194 0.000 0.992 302 V HN 0.925 nan 8.190 nan 0.000 0.428 303 W N 4.811 126.277 121.300 0.277 0.000 3.217 303 W HA 0.479 5.139 4.660 0.000 0.000 0.323 303 W C 0.194 176.848 176.519 0.224 0.000 1.216 303 W CA -0.548 56.931 57.345 0.223 0.000 1.194 303 W CB 1.272 30.860 29.460 0.213 0.000 1.397 303 W HN 0.675 nan 8.180 nan 0.000 0.537 304 N N 4.693 122.872 118.700 -0.868 0.000 2.699 304 N HA -0.346 4.394 4.740 0.001 0.000 0.256 304 N C 0.534 175.907 175.510 -0.227 0.000 0.993 304 N CA 1.943 54.514 53.050 -0.798 0.000 0.759 304 N CB -1.075 36.639 38.487 -1.289 0.000 0.906 304 N HN 0.988 nan 8.380 nan 0.000 0.541 305 N N -1.768 116.865 118.700 -0.111 0.000 2.765 305 N HA -0.276 4.464 4.740 0.001 0.000 0.248 305 N C -0.095 175.449 175.510 0.056 0.000 1.063 305 N CA 1.312 54.354 53.050 -0.014 0.000 0.862 305 N CB -1.017 37.447 38.487 -0.038 0.000 1.145 305 N HN 0.549 nan 8.380 nan 0.000 0.581 306 C N 1.019 120.409 119.300 0.150 0.000 2.366 306 C HA 0.397 4.857 4.460 0.001 0.000 0.345 306 C C 0.290 175.431 174.990 0.251 0.000 1.209 306 C CA -0.599 58.534 59.018 0.192 0.000 2.050 306 C CB 1.395 29.303 27.740 0.279 0.000 2.359 306 C HN 0.301 nan 8.230 nan 0.000 0.527 307 E N 3.340 123.592 120.200 0.087 0.000 2.146 307 E HA 0.377 4.727 4.350 0.001 0.000 0.282 307 E C -1.556 175.000 176.600 -0.073 0.000 0.989 307 E CA -0.337 56.092 56.400 0.048 0.000 0.799 307 E CB 0.525 30.222 29.700 -0.005 0.000 1.088 307 E HN 0.587 nan 8.360 nan 0.000 0.397 308 F N 4.105 123.795 119.950 -0.433 0.000 2.334 308 F HA 0.264 4.792 4.527 0.001 0.000 0.367 308 F C 0.553 176.106 175.800 -0.411 0.000 1.115 308 F CA -0.778 56.897 58.000 -0.542 0.000 1.116 308 F CB 1.007 39.293 39.000 -1.191 0.000 1.230 308 F HN 0.330 nan 8.300 nan 0.000 0.484 309 K N 4.267 124.588 120.400 -0.133 0.000 2.237 309 K HA 0.211 4.531 4.320 0.001 0.000 0.270 309 K C -0.082 176.478 176.600 -0.066 0.000 1.015 309 K CA -0.586 55.649 56.287 -0.086 0.000 0.949 309 K CB 0.587 33.041 32.500 -0.077 0.000 0.976 309 K HN 0.587 nan 8.250 nan 0.000 0.472 310 K N 2.401 122.774 120.400 -0.045 0.000 2.448 310 K HA 0.212 4.532 4.320 0.001 0.000 0.278 310 K C 0.564 177.139 176.600 -0.041 0.000 1.009 310 K CA 0.386 56.652 56.287 -0.035 0.000 0.995 310 K CB 0.258 32.744 32.500 -0.024 0.000 0.917 310 K HN 0.764 nan 8.250 nan 0.000 0.481 311 G N 2.082 110.858 108.800 -0.041 0.000 2.176 311 G HA2 -0.258 3.702 3.960 0.001 0.000 0.253 311 G HA3 -0.258 3.702 3.960 0.001 0.000 0.253 311 G C 0.043 174.896 174.900 -0.078 0.000 0.979 311 G CA 0.314 45.384 45.100 -0.050 0.000 0.641 311 G HN 0.740 nan 8.290 nan 0.000 0.530 312 T N 2.031 116.540 114.554 -0.076 0.000 2.930 312 T HA 0.492 4.843 4.350 0.001 0.000 0.306 312 T C 0.751 175.353 174.700 -0.163 0.000 1.045 312 T CA 0.670 62.696 62.100 -0.124 0.000 1.134 312 T CB 1.345 70.148 68.868 -0.108 0.000 0.961 312 T HN 0.339 nan 8.240 nan 0.000 0.545 313 S N 1.707 117.155 115.700 -0.419 0.000 2.586 313 S HA 0.594 5.064 4.470 0.001 0.000 0.274 313 S C 0.038 174.352 174.600 -0.476 0.000 1.281 313 S CA -0.904 56.854 58.200 -0.737 0.000 1.035 313 S CB 0.965 62.982 63.200 -1.971 0.000 0.962 313 S HN 0.714 nan 8.310 nan 0.000 0.512 314 V N 0.896 120.786 119.914 -0.040 0.000 2.808 314 V HA 0.641 4.761 4.120 0.001 0.000 0.308 314 V C -1.160 175.170 176.094 0.392 0.000 1.099 314 V CA -0.906 61.576 62.300 0.303 0.000 0.920 314 V CB 1.261 33.333 31.823 0.413 0.000 1.014 314 V HN 0.743 nan 8.190 nan 0.000 0.425 315 L N 4.573 125.934 121.223 0.229 0.000 2.307 315 L HA 0.631 4.972 4.340 0.001 0.000 0.284 315 L C -0.794 175.953 176.870 -0.204 0.000 1.023 315 L CA -0.803 54.014 54.840 -0.037 0.000 0.810 315 L CB 1.873 43.766 42.059 -0.277 0.000 1.231 315 L HN 0.714 nan 8.230 nan 0.000 0.423 316 L N 3.064 124.037 121.223 -0.417 0.000 2.276 316 L HA 0.366 4.706 4.340 0.001 0.000 0.286 316 L C -0.418 176.385 176.870 -0.112 0.000 1.024 316 L CA -0.178 54.343 54.840 -0.531 0.000 0.826 316 L CB 1.139 42.395 42.059 -1.338 0.000 1.211 316 L HN 0.412 nan 8.230 nan 0.000 0.422 317 D N 3.476 123.897 120.400 0.037 0.000 2.349 317 D HA 0.092 4.732 4.640 0.001 0.000 0.266 317 D C 0.871 177.277 176.300 0.177 0.000 1.293 317 D CA 0.140 54.264 54.000 0.208 0.000 0.926 317 D CB 0.789 41.721 40.800 0.219 0.000 1.090 317 D HN 0.536 nan 8.370 nan 0.000 0.502 318 L N 4.335 125.684 121.223 0.211 0.000 2.127 318 L HA -0.023 4.317 4.340 0.001 0.000 0.203 318 L C 1.672 178.674 176.870 0.220 0.000 1.080 318 L CA 1.013 55.960 54.840 0.179 0.000 0.768 318 L CB -1.001 41.147 42.059 0.148 0.000 0.924 318 L HN 0.594 nan 8.230 nan 0.000 0.444 319 Y N 0.577 120.964 120.300 0.144 0.000 2.145 319 Y HA -0.148 4.402 4.550 0.000 0.000 0.286 319 Y C 2.322 178.292 175.900 0.118 0.000 1.145 319 Y CA 1.647 59.810 58.100 0.104 0.000 1.148 319 Y CB -0.757 37.766 38.460 0.104 0.000 0.981 319 Y HN 0.129 nan 8.280 nan 0.000 0.507 320 G N -1.438 107.408 108.800 0.077 0.000 2.418 320 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 320 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 320 G C 1.649 176.585 174.900 0.060 0.000 1.158 320 G CA 1.420 46.527 45.100 0.012 0.000 0.771 320 G HN 0.427 nan 8.290 nan 0.000 0.545 321 T N 1.414 116.036 114.554 0.114 0.000 2.833 321 T HA -0.108 4.243 4.350 0.001 0.000 0.269 321 T C 2.226 177.018 174.700 0.153 0.000 1.054 321 T CA 1.213 63.406 62.100 0.155 0.000 1.135 321 T CB -0.212 68.760 68.868 0.173 0.000 0.869 321 T HN 0.203 nan 8.240 nan 0.000 0.466 322 N N 0.656 119.394 118.700 0.062 0.000 2.459 322 N HA -0.031 4.710 4.740 0.001 0.000 0.181 322 N C 0.721 176.040 175.510 -0.320 0.000 1.046 322 N CA 0.816 53.803 53.050 -0.105 0.000 0.904 322 N CB -0.075 38.376 38.487 -0.061 0.000 0.964 322 N HN 0.493 nan 8.380 nan 0.000 0.444 323 H N -1.468 117.437 119.070 -0.275 0.000 2.581 323 H HA 0.226 4.782 4.556 0.001 0.000 0.275 323 H C -0.824 174.479 175.328 -0.042 0.000 1.126 323 H CA -0.764 55.143 56.048 -0.234 0.000 1.097 323 H CB 0.162 29.685 29.762 -0.397 0.000 1.626 323 H HN 0.025 nan 8.280 nan 0.000 0.565 324 D N 1.943 122.444 120.400 0.169 0.000 2.316 324 D HA 0.057 4.697 4.640 0.001 0.000 0.245 324 D C -1.309 175.111 176.300 0.200 0.000 1.171 324 D CA -2.382 51.722 54.000 0.174 0.000 0.856 324 D CB 1.588 42.491 40.800 0.172 0.000 1.090 324 D HN 0.070 nan 8.370 nan 0.000 0.476 325 P HA -0.184 nan 4.420 nan 0.000 0.221 325 P C 1.052 178.364 177.300 0.020 0.000 1.145 325 P CA 0.795 63.931 63.100 0.060 0.000 0.795 325 P CB 0.293 32.001 31.700 0.013 0.000 0.775 326 R N -0.600 119.918 120.500 0.030 0.000 2.193 326 R HA -0.016 4.324 4.340 0.001 0.000 0.229 326 R C 1.972 178.222 176.300 -0.082 0.000 1.110 326 R CA 1.039 57.132 56.100 -0.011 0.000 0.988 326 R CB -0.419 29.893 30.300 0.020 0.000 0.871 326 R HN 0.306 nan 8.270 nan 0.000 0.458 327 L N -2.766 118.393 121.223 -0.105 0.000 2.781 327 L HA 0.242 4.582 4.340 0.001 0.000 0.245 327 L C -0.601 175.773 176.870 -0.828 0.000 1.118 327 L CA -0.362 54.203 54.840 -0.459 0.000 0.918 327 L CB 0.484 42.273 42.059 -0.450 0.000 1.246 327 L HN 0.033 nan 8.230 nan 0.000 0.526 328 W N -0.922 120.322 121.300 -0.093 0.000 3.256 328 W HA 0.387 5.047 4.660 0.000 0.000 0.324 328 W C -0.968 175.476 176.519 -0.127 0.000 1.196 328 W CA -0.811 56.453 57.345 -0.134 0.000 1.206 328 W CB 0.719 30.078 29.460 -0.168 0.000 1.385 328 W HN -0.307 nan 8.180 nan 0.000 0.522 329 D N 1.218 121.667 120.400 0.081 0.000 2.383 329 D HA 0.120 4.761 4.640 0.001 0.000 0.252 329 D C 0.141 176.501 176.300 0.100 0.000 1.166 329 D CA 0.631 54.644 54.000 0.022 0.000 0.879 329 D CB 0.206 41.056 40.800 0.085 0.000 1.164 329 D HN 0.522 nan 8.370 nan 0.000 0.462 330 H N 0.805 119.880 119.070 0.007 0.000 2.604 330 H HA -0.145 4.411 4.556 0.001 0.000 0.321 330 H C -1.511 173.814 175.328 -0.005 0.000 1.132 330 H CA 0.364 56.413 56.048 0.002 0.000 1.129 330 H CB -1.063 28.685 29.762 -0.024 0.000 1.526 330 H HN 0.485 nan 8.280 nan 0.000 0.415 331 P HA -0.242 nan 4.420 nan 0.000 0.219 331 P C 0.317 177.615 177.300 -0.004 0.000 1.149 331 P CA 1.667 64.762 63.100 -0.009 0.000 0.835 331 P CB 0.279 31.998 31.700 0.032 0.000 0.778 332 D N 0.551 121.047 120.400 0.159 0.000 2.889 332 D HA 0.170 4.811 4.640 0.001 0.000 0.243 332 D C 0.383 176.861 176.300 0.296 0.000 1.270 332 D CA 0.359 54.565 54.000 0.343 0.000 0.838 332 D CB 0.247 41.214 40.800 0.278 0.000 1.040 332 D HN 0.259 nan 8.370 nan 0.000 0.480 333 E N 0.304 120.534 120.200 0.050 0.000 2.314 333 E HA 0.206 4.556 4.350 0.001 0.000 0.272 333 E C -1.139 175.114 176.600 -0.577 0.000 0.884 333 E CA -0.887 55.393 56.400 -0.201 0.000 0.753 333 E CB 2.325 31.959 29.700 -0.110 0.000 1.213 333 E HN 0.001 nan 8.360 nan 0.000 0.432 334 F N 3.239 122.617 119.950 -0.952 0.000 2.404 334 F HA 0.296 4.823 4.527 0.000 0.000 0.359 334 F C 0.051 175.352 175.800 -0.832 0.000 1.134 334 F CA -0.200 57.141 58.000 -1.099 0.000 1.160 334 F CB 0.268 38.502 39.000 -1.276 0.000 1.186 334 F HN 0.178 nan 8.300 nan 0.000 0.526 335 R N 7.189 127.052 120.500 -1.060 0.000 2.629 335 R HA 0.196 4.536 4.340 0.001 0.000 0.275 335 R C -2.233 173.624 176.300 -0.739 0.000 1.719 335 R CA -1.487 54.154 56.100 -0.765 0.000 1.472 335 R CB 0.932 30.998 30.300 -0.390 0.000 1.237 335 R HN 0.358 nan 8.270 nan 0.000 0.589 336 P HA -0.311 nan 4.420 nan 0.000 0.218 336 P C 1.254 178.475 177.300 -0.132 0.000 1.152 336 P CA 1.429 64.204 63.100 -0.542 0.000 0.857 336 P CB 0.310 31.677 31.700 -0.556 0.000 0.787 337 E N 0.979 121.053 120.200 -0.210 0.000 2.153 337 E HA -0.238 4.113 4.350 0.001 0.000 0.194 337 E C 1.779 178.357 176.600 -0.038 0.000 0.988 337 E CA 1.277 57.649 56.400 -0.047 0.000 0.811 337 E CB -1.143 28.508 29.700 -0.082 0.000 0.746 337 E HN 0.413 nan 8.360 nan 0.000 0.466 338 R N 0.129 120.529 120.500 -0.167 0.000 2.332 338 R HA -0.098 4.243 4.340 0.001 0.000 0.239 338 R C 1.409 177.507 176.300 -0.336 0.000 1.160 338 R CA 1.486 57.432 56.100 -0.256 0.000 1.020 338 R CB -0.835 29.254 30.300 -0.351 0.000 0.859 338 R HN 0.154 nan 8.270 nan 0.000 0.478 339 F N 1.016 120.990 119.950 0.039 0.000 2.727 339 F HA 0.350 4.878 4.527 0.000 0.000 0.302 339 F C 1.119 176.967 175.800 0.079 0.000 1.097 339 F CA -0.216 57.831 58.000 0.078 0.000 1.330 339 F CB 0.440 39.474 39.000 0.056 0.000 1.084 339 F HN 0.059 nan 8.300 nan 0.000 0.578 340 A N 0.720 123.655 122.820 0.191 0.000 2.404 340 A HA 0.407 4.727 4.320 0.001 0.000 0.273 340 A C 0.780 178.422 177.584 0.097 0.000 1.144 340 A CA -0.114 52.020 52.037 0.162 0.000 0.806 340 A CB 0.003 19.100 19.000 0.162 0.000 1.080 340 A HN 0.400 nan 8.150 nan 0.000 0.509 341 E N 0.178 120.434 120.200 0.094 0.000 4.129 341 E HA -0.166 4.185 4.350 0.001 0.000 0.354 341 E C -0.106 176.518 176.600 0.041 0.000 0.673 341 E CA 1.285 57.720 56.400 0.057 0.000 1.347 341 E CB -1.432 28.289 29.700 0.035 0.000 1.722 341 E HN 0.881 nan 8.360 nan 0.000 0.410 342 R N 1.595 122.130 120.500 0.058 0.000 2.370 342 R HA 0.185 4.525 4.340 0.001 0.000 0.309 342 R C 0.703 177.036 176.300 0.056 0.000 1.059 342 R CA 0.016 56.133 56.100 0.029 0.000 0.981 342 R CB 0.474 30.791 30.300 0.028 0.000 0.972 342 R HN 0.168 nan 8.270 nan 0.000 0.437 343 E N 2.453 122.664 120.200 0.018 0.000 2.413 343 E HA -0.102 4.248 4.350 0.001 0.000 0.263 343 E C -0.487 176.141 176.600 0.046 0.000 1.015 343 E CA -0.237 56.180 56.400 0.028 0.000 0.916 343 E CB 0.695 30.400 29.700 0.008 0.000 0.947 343 E HN 0.287 nan 8.360 nan 0.000 0.440 344 E N 3.107 123.340 120.200 0.054 0.000 2.414 344 E HA 0.016 4.366 4.350 0.001 0.000 0.263 344 E C -1.000 175.626 176.600 0.043 0.000 1.000 344 E CA 0.491 56.927 56.400 0.060 0.000 0.914 344 E CB 0.476 30.202 29.700 0.044 0.000 0.948 344 E HN 0.534 nan 8.360 nan 0.000 0.444 345 N N 3.318 122.047 118.700 0.048 0.000 2.357 345 N HA 0.240 4.980 4.740 0.001 0.000 0.284 345 N C -0.194 175.302 175.510 -0.025 0.000 1.236 345 N CA -0.568 52.505 53.050 0.038 0.000 0.774 345 N CB 0.728 39.254 38.487 0.064 0.000 1.534 345 N HN 0.410 nan 8.380 nan 0.000 0.478 346 L N 1.579 122.746 121.223 -0.093 0.000 2.640 346 L HA 0.301 4.641 4.340 0.001 0.000 0.230 346 L C 0.116 176.552 176.870 -0.724 0.000 1.123 346 L CA 0.269 54.851 54.840 -0.430 0.000 0.900 346 L CB 0.098 41.764 42.059 -0.655 0.000 1.146 346 L HN 0.582 nan 8.230 nan 0.000 0.484 347 F N -1.258 118.681 119.950 -0.018 0.000 2.912 347 F HA 0.045 4.572 4.527 0.001 0.000 0.357 347 F C 1.940 177.799 175.800 0.098 0.000 1.003 347 F CA -0.391 57.623 58.000 0.023 0.000 1.132 347 F CB 0.241 39.253 39.000 0.020 0.000 1.055 347 F HN 0.014 nan 8.300 nan 0.000 0.572 348 D N 1.050 121.613 120.400 0.271 0.000 2.117 348 D HA -0.144 4.496 4.640 0.001 0.000 0.198 348 D C 0.932 177.537 176.300 0.509 0.000 0.982 348 D CA 1.162 55.337 54.000 0.292 0.000 0.828 348 D CB 0.042 40.902 40.800 0.100 0.000 0.967 348 D HN 0.277 nan 8.370 nan 0.000 0.464 349 M N 0.718 120.580 119.600 0.436 0.000 2.190 349 M HA 0.380 4.861 4.480 0.001 0.000 0.312 349 M C -1.125 175.262 176.300 0.145 0.000 0.990 349 M CA -0.715 54.778 55.300 0.322 0.000 0.927 349 M CB 1.877 34.688 32.600 0.353 0.000 1.571 349 M HN 0.080 nan 8.290 nan 0.000 0.427 350 I N 2.964 123.600 120.570 0.109 0.000 2.900 350 I HA 0.419 4.590 4.170 0.001 0.000 0.331 350 I C -2.209 173.958 176.117 0.083 0.000 1.427 350 I CA -1.395 59.945 61.300 0.067 0.000 0.836 350 I CB 0.535 38.588 38.000 0.088 0.000 2.115 350 I HN 0.410 nan 8.210 nan 0.000 0.578 351 P HA -0.086 nan 4.420 nan 0.000 0.230 351 P C 0.529 177.901 177.300 0.121 0.000 1.158 351 P CA 1.274 64.457 63.100 0.138 0.000 0.769 351 P CB 0.365 32.169 31.700 0.173 0.000 0.807 352 Q N -0.280 119.566 119.800 0.077 0.000 2.144 352 Q HA 0.434 4.774 4.340 0.001 0.000 0.305 352 Q C 0.352 176.368 176.000 0.027 0.000 0.876 352 Q CA -0.157 55.670 55.803 0.041 0.000 1.130 352 Q CB 1.183 29.960 28.738 0.064 0.000 1.267 352 Q HN 0.169 nan 8.270 nan 0.000 0.433 353 G N -0.266 108.567 108.800 0.056 0.000 2.685 353 G HA2 -0.006 3.954 3.960 0.001 0.000 0.387 353 G HA3 -0.006 3.954 3.960 0.001 0.000 0.387 353 G C -0.308 174.544 174.900 -0.080 0.000 1.324 353 G CA -0.657 44.507 45.100 0.106 0.000 0.878 353 G HN 0.445 nan 8.290 nan 0.000 0.527 354 G N -2.175 106.407 108.800 -0.363 0.000 2.949 354 G HA2 0.998 4.958 3.960 0.001 0.000 0.285 354 G HA3 0.998 4.958 3.960 0.001 0.000 0.285 354 G C 0.963 175.049 174.900 -1.357 0.000 1.395 354 G CA 1.149 45.732 45.100 -0.861 0.000 0.901 354 G HN 2.717 nan 8.290 nan 0.000 0.519 355 G N -0.881 106.995 108.800 -1.540 0.000 2.547 355 G HA2 -0.172 3.789 3.960 0.001 0.000 0.271 355 G HA3 -0.172 3.789 3.960 0.001 0.000 0.271 355 G C -0.192 174.283 174.900 -0.708 0.000 1.209 355 G CA 0.110 44.545 45.100 -1.110 0.000 0.959 355 G HN 0.972 nan 8.290 nan 0.000 0.563 356 H N 0.497 119.433 119.070 -0.224 0.000 2.467 356 H HA 0.566 5.122 4.556 0.000 0.000 0.331 356 H C 1.257 176.536 175.328 -0.082 0.000 1.120 356 H CA 0.171 56.149 56.048 -0.116 0.000 1.270 356 H CB 1.557 31.295 29.762 -0.041 0.000 1.466 356 H HN 0.834 nan 8.280 nan 0.000 0.504 357 A N 2.344 125.201 122.820 0.062 0.000 2.072 357 A HA -0.041 4.280 4.320 0.001 0.000 0.216 357 A C 1.581 179.182 177.584 0.028 0.000 1.156 357 A CA 0.468 52.524 52.037 0.032 0.000 0.701 357 A CB 0.126 19.137 19.000 0.018 0.000 0.816 357 A HN 0.659 nan 8.150 nan 0.000 0.458 358 E N 0.062 120.290 120.200 0.047 0.000 2.442 358 E HA -0.009 4.342 4.350 0.001 0.000 0.195 358 E C 0.621 177.215 176.600 -0.010 0.000 1.030 358 E CA 0.624 57.025 56.400 0.001 0.000 0.869 358 E CB 0.053 29.747 29.700 -0.010 0.000 0.857 358 E HN 0.621 nan 8.360 nan 0.000 0.505 359 K N 0.033 120.459 120.400 0.044 0.000 2.477 359 K HA 0.251 4.571 4.320 0.001 0.000 0.208 359 K C 0.520 177.176 176.600 0.095 0.000 1.117 359 K CA 0.066 56.385 56.287 0.052 0.000 1.039 359 K CB 1.962 34.500 32.500 0.064 0.000 0.937 359 K HN 0.023 nan 8.250 nan 0.000 0.570 360 G N -0.827 108.034 108.800 0.102 0.000 2.682 360 G HA2 0.109 4.070 3.960 0.001 0.000 0.303 360 G HA3 0.109 4.070 3.960 0.001 0.000 0.303 360 G C -0.716 174.271 174.900 0.146 0.000 1.341 360 G CA -0.619 44.567 45.100 0.143 0.000 0.784 360 G HN 0.099 nan 8.290 nan 0.000 0.497 361 H N 0.066 119.322 119.070 0.310 0.000 2.556 361 H HA 0.096 4.652 4.556 0.001 0.000 0.273 361 H C 1.389 176.806 175.328 0.149 0.000 1.030 361 H CA 0.213 56.378 56.048 0.195 0.000 1.156 361 H CB 0.253 30.032 29.762 0.029 0.000 1.326 361 H HN 0.258 nan 8.280 nan 0.000 0.609 362 R N 0.847 121.479 120.500 0.219 0.000 2.585 362 R HA -0.028 4.312 4.340 0.001 0.000 0.275 362 R C -0.039 176.282 176.300 0.034 0.000 1.018 362 R CA -0.088 56.057 56.100 0.075 0.000 1.072 362 R CB 0.232 30.484 30.300 -0.080 0.000 0.953 362 R HN 0.210 nan 8.270 nan 0.000 0.419 363 C N 7.518 126.825 119.300 0.010 0.000 2.465 363 C HA 0.061 4.521 4.460 0.001 0.000 0.402 363 C C -0.963 174.023 174.990 -0.006 0.000 1.448 363 C CA -1.249 57.760 59.018 -0.016 0.000 1.589 363 C CB 0.130 27.863 27.740 -0.013 0.000 2.535 363 C HN 0.730 nan 8.230 nan 0.000 0.600 364 P HA 0.181 nan 4.420 nan 0.000 0.261 364 P C 0.767 178.096 177.300 0.048 0.000 1.268 364 P CA 0.740 63.857 63.100 0.029 0.000 0.833 364 P CB 0.166 31.896 31.700 0.051 0.000 1.231 365 G N 0.114 108.934 108.800 0.034 0.000 3.337 365 G HA2 0.003 3.963 3.960 0.001 0.000 0.246 365 G HA3 0.003 3.963 3.960 0.001 0.000 0.246 365 G C 1.165 176.093 174.900 0.046 0.000 1.131 365 G CA -0.075 45.050 45.100 0.042 0.000 0.773 365 G HN 0.172 nan 8.290 nan 0.000 0.544 366 E N 0.400 120.625 120.200 0.042 0.000 2.085 366 E HA -0.081 4.269 4.350 0.001 0.000 0.194 366 E C 2.599 179.224 176.600 0.040 0.000 0.994 366 E CA 1.140 57.568 56.400 0.047 0.000 0.801 366 E CB -0.161 29.553 29.700 0.023 0.000 0.743 366 E HN 0.337 nan 8.360 nan 0.000 0.453 367 G N 1.107 109.927 108.800 0.033 0.000 2.459 367 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 367 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 367 G C 1.567 176.481 174.900 0.023 0.000 1.183 367 G CA 1.049 46.166 45.100 0.029 0.000 0.776 367 G HN 0.227 nan 8.290 nan 0.000 0.552 368 I N 0.847 121.424 120.570 0.011 0.000 2.208 368 I HA -0.192 3.979 4.170 0.001 0.000 0.245 368 I C 3.005 179.131 176.117 0.014 0.000 1.097 368 I CA 1.583 62.867 61.300 -0.026 0.000 1.363 368 I CB -0.610 37.338 38.000 -0.086 0.000 1.051 368 I HN 0.126 nan 8.210 nan 0.000 0.413 369 T N 1.223 115.814 114.554 0.061 0.000 2.746 369 T HA -0.126 4.224 4.350 0.001 0.000 0.267 369 T C 1.901 176.668 174.700 0.111 0.000 1.039 369 T CA 1.435 63.617 62.100 0.135 0.000 1.142 369 T CB -0.245 68.755 68.868 0.220 0.000 0.866 369 T HN 0.250 nan 8.240 nan 0.000 0.444 370 I N 0.641 121.248 120.570 0.062 0.000 2.193 370 I HA -0.097 4.073 4.170 0.001 0.000 0.240 370 I C 2.841 178.981 176.117 0.039 0.000 1.084 370 I CA 1.010 62.327 61.300 0.029 0.000 1.365 370 I CB -0.340 37.661 38.000 0.001 0.000 1.064 370 I HN 0.074 nan 8.210 nan 0.000 0.410 371 E N 0.755 120.974 120.200 0.032 0.000 2.070 371 E HA -0.184 4.166 4.350 0.001 0.000 0.197 371 E C 2.390 179.019 176.600 0.048 0.000 1.004 371 E CA 1.175 57.593 56.400 0.030 0.000 0.805 371 E CB -0.477 29.231 29.700 0.014 0.000 0.744 371 E HN 0.278 nan 8.360 nan 0.000 0.451 372 V N 0.930 120.875 119.914 0.052 0.000 2.343 372 V HA -0.257 3.864 4.120 0.001 0.000 0.247 372 V C 2.434 178.615 176.094 0.145 0.000 1.051 372 V CA 1.686 64.037 62.300 0.084 0.000 1.036 372 V CB -0.407 31.456 31.823 0.066 0.000 0.654 372 V HN 0.271 nan 8.190 nan 0.000 0.451 373 M N -0.955 118.727 119.600 0.136 0.000 2.132 373 M HA -0.171 4.309 4.480 0.001 0.000 0.263 373 M C 2.270 178.643 176.300 0.122 0.000 1.065 373 M CA 1.766 57.155 55.300 0.147 0.000 1.122 373 M CB -0.408 32.262 32.600 0.117 0.000 1.365 373 M HN 0.203 nan 8.290 nan 0.000 0.411 374 K N 0.219 120.674 120.400 0.091 0.000 2.097 374 K HA -0.110 4.210 4.320 0.001 0.000 0.206 374 K C 2.097 178.737 176.600 0.065 0.000 1.049 374 K CA 1.444 57.774 56.287 0.071 0.000 0.933 374 K CB -0.267 32.262 32.500 0.048 0.000 0.717 374 K HN 0.297 nan 8.250 nan 0.000 0.442 375 A N 1.402 124.278 122.820 0.093 0.000 1.845 375 A HA -0.170 4.150 4.320 0.001 0.000 0.215 375 A C 2.287 179.958 177.584 0.145 0.000 1.195 375 A CA 1.981 54.090 52.037 0.121 0.000 0.616 375 A CB -0.745 18.349 19.000 0.157 0.000 0.832 375 A HN 0.202 nan 8.150 nan 0.000 0.443 376 S N -0.273 115.546 115.700 0.199 0.000 2.372 376 S HA -0.236 4.234 4.470 0.001 0.000 0.227 376 S C 1.893 176.455 174.600 -0.063 0.000 1.044 376 S CA 1.777 60.005 58.200 0.047 0.000 1.050 376 S CB -0.604 62.718 63.200 0.203 0.000 0.901 376 S HN 0.543 nan 8.310 nan 0.000 0.447 377 L N 2.255 123.487 121.223 0.015 0.000 2.027 377 L HA -0.073 4.267 4.340 0.001 0.000 0.206 377 L C 1.897 178.744 176.870 -0.038 0.000 1.074 377 L CA 2.145 56.976 54.840 -0.014 0.000 0.745 377 L CB -0.963 41.104 42.059 0.014 0.000 0.898 377 L HN 0.180 nan 8.230 nan 0.000 0.433 378 D N -1.419 118.958 120.400 -0.038 0.000 2.190 378 D HA -0.309 4.331 4.640 0.001 0.000 0.200 378 D C 1.964 178.215 176.300 -0.082 0.000 0.992 378 D CA 1.483 55.403 54.000 -0.133 0.000 0.854 378 D CB -0.232 40.490 40.800 -0.130 0.000 0.936 378 D HN 0.458 nan 8.370 nan 0.000 0.462 379 F N 0.479 120.334 119.950 -0.159 0.000 2.098 379 F HA 0.060 4.587 4.527 0.000 0.000 0.294 379 F C 1.843 177.575 175.800 -0.114 0.000 1.107 379 F CA 0.998 58.902 58.000 -0.159 0.000 1.234 379 F CB -0.373 38.427 39.000 -0.334 0.000 1.002 379 F HN -0.057 nan 8.300 nan 0.000 0.472 380 L N -0.287 120.758 121.223 -0.296 0.000 2.265 380 L HA -0.188 4.152 4.340 0.001 0.000 0.215 380 L C 2.091 178.915 176.870 -0.076 0.000 1.117 380 L CA 0.722 55.398 54.840 -0.272 0.000 0.782 380 L CB -0.593 41.412 42.059 -0.090 0.000 0.914 380 L HN 0.123 nan 8.230 nan 0.000 0.441 381 V N -1.761 118.145 119.914 -0.013 0.000 2.685 381 V HA -0.122 3.999 4.120 0.001 0.000 0.244 381 V C 1.898 178.111 176.094 0.198 0.000 1.054 381 V CA 1.192 63.567 62.300 0.125 0.000 1.076 381 V CB -0.280 31.670 31.823 0.211 0.000 0.725 381 V HN 0.383 nan 8.190 nan 0.000 0.467 382 H N -1.069 117.936 119.070 -0.108 0.000 2.481 382 H HA 0.170 4.726 4.556 0.000 0.000 0.291 382 H C 2.275 177.540 175.328 -0.104 0.000 1.009 382 H CA 0.506 56.506 56.048 -0.079 0.000 1.282 382 H CB -0.123 29.616 29.762 -0.039 0.000 1.457 382 H HN 0.207 nan 8.280 nan 0.000 0.525 383 Q N 0.591 120.361 119.800 -0.050 0.000 2.119 383 Q HA 0.024 4.364 4.340 0.001 0.000 0.201 383 Q C 0.901 176.800 176.000 -0.169 0.000 0.972 383 Q CA 0.820 56.559 55.803 -0.107 0.000 0.847 383 Q CB 0.346 29.038 28.738 -0.078 0.000 0.903 383 Q HN 0.467 nan 8.270 nan 0.000 0.433 384 I N -2.648 117.752 120.570 -0.284 0.000 3.264 384 I HA 0.544 4.714 4.170 0.001 0.000 0.315 384 I C -1.030 175.102 176.117 0.025 0.000 1.154 384 I CA -1.017 60.212 61.300 -0.117 0.000 0.962 384 I CB 2.289 40.208 38.000 -0.135 0.000 1.265 384 I HN -0.207 nan 8.210 nan 0.000 0.463 385 E N 2.300 122.569 120.200 0.114 0.000 2.272 385 E HA 0.575 4.925 4.350 0.001 0.000 0.269 385 E C -1.660 175.072 176.600 0.221 0.000 0.877 385 E CA -0.253 56.212 56.400 0.109 0.000 0.755 385 E CB 2.842 32.549 29.700 0.012 0.000 1.192 385 E HN 0.742 nan 8.360 nan 0.000 0.422 386 Y N -1.366 118.930 120.300 -0.007 0.000 2.840 386 Y HA 0.660 5.210 4.550 0.000 0.000 0.324 386 Y C -1.260 174.624 175.900 -0.026 0.000 1.378 386 Y CA -1.218 56.877 58.100 -0.009 0.000 1.077 386 Y CB 1.185 39.642 38.460 -0.004 0.000 1.361 386 Y HN 0.080 nan 8.280 nan 0.000 0.459 387 D N 0.410 120.840 120.400 0.049 0.000 2.481 387 D HA 0.481 5.122 4.640 0.001 0.000 0.244 387 D C -1.201 175.071 176.300 -0.047 0.000 1.057 387 D CA -0.579 53.380 54.000 -0.067 0.000 0.848 387 D CB 2.754 43.531 40.800 -0.040 0.000 1.388 387 D HN 0.473 nan 8.370 nan 0.000 0.475 388 V N 3.660 123.481 119.914 -0.155 0.000 2.240 388 V HA 0.245 4.366 4.120 0.001 0.000 0.265 388 V C -1.901 174.061 176.094 -0.220 0.000 1.073 388 V CA -1.287 60.823 62.300 -0.317 0.000 0.857 388 V CB 0.341 31.767 31.823 -0.661 0.000 1.114 388 V HN 0.387 nan 8.190 nan 0.000 0.469 389 P HA 0.035 nan 4.420 nan 0.000 0.268 389 P C 0.033 177.278 177.300 -0.092 0.000 1.208 389 P CA -0.149 62.887 63.100 -0.107 0.000 0.777 389 P CB 0.825 32.465 31.700 -0.100 0.000 0.875 390 E N 2.013 122.187 120.200 -0.044 0.000 2.765 390 E HA -0.098 4.252 4.350 0.001 0.000 0.256 390 E C -0.062 176.519 176.600 -0.032 0.000 0.935 390 E CA 0.990 57.379 56.400 -0.018 0.000 0.954 390 E CB 0.040 29.734 29.700 -0.009 0.000 0.908 390 E HN 0.500 nan 8.360 nan 0.000 0.500 391 Q N 1.633 121.426 119.800 -0.012 0.000 2.869 391 Q HA 0.284 4.625 4.340 0.001 0.000 0.322 391 Q C -1.282 174.736 176.000 0.029 0.000 0.832 391 Q CA -1.016 54.778 55.803 -0.014 0.000 0.791 391 Q CB 0.502 29.203 28.738 -0.063 0.000 1.412 391 Q HN 0.326 nan 8.270 nan 0.000 0.483 392 S N 0.510 116.231 115.700 0.036 0.000 2.464 392 S HA 0.364 4.834 4.470 0.001 0.000 0.313 392 S C 0.419 175.090 174.600 0.118 0.000 1.078 392 S CA -0.544 57.703 58.200 0.079 0.000 1.096 392 S CB -0.412 62.828 63.200 0.067 0.000 1.032 392 S HN 0.523 nan 8.310 nan 0.000 0.498 393 L N 3.078 124.403 121.223 0.169 0.000 2.446 393 L HA 0.178 4.519 4.340 0.001 0.000 0.219 393 L C 1.217 178.243 176.870 0.261 0.000 1.116 393 L CA -0.046 54.932 54.840 0.230 0.000 0.844 393 L CB -0.536 41.700 42.059 0.296 0.000 0.970 393 L HN 0.719 nan 8.230 nan 0.000 0.457 394 H N 1.141 120.290 119.070 0.131 0.000 3.119 394 H HA -0.090 4.466 4.556 0.001 0.000 0.334 394 H C -0.784 174.632 175.328 0.147 0.000 1.042 394 H CA 0.208 56.297 56.048 0.069 0.000 1.354 394 H CB 0.208 29.974 29.762 0.007 0.000 1.285 394 H HN 0.145 nan 8.280 nan 0.000 0.601 395 Y N 1.402 121.242 120.300 -0.767 0.000 2.433 395 Y HA 0.419 4.970 4.550 0.001 0.000 0.337 395 Y C -0.615 174.928 175.900 -0.596 0.000 1.026 395 Y CA -1.025 56.764 58.100 -0.519 0.000 1.037 395 Y CB 0.716 39.147 38.460 -0.048 0.000 1.245 395 Y HN 0.711 nan 8.280 nan 0.000 0.443 396 S N 2.944 118.516 115.700 -0.213 0.000 2.617 396 S HA 0.409 4.879 4.470 0.001 0.000 0.269 396 S C 0.123 174.802 174.600 0.132 0.000 1.292 396 S CA -0.569 57.621 58.200 -0.017 0.000 1.010 396 S CB 0.637 63.887 63.200 0.084 0.000 0.944 396 S HN 0.882 nan 8.310 nan 0.000 0.536 397 L N 2.795 124.088 121.223 0.116 0.000 2.766 397 L HA 0.342 4.682 4.340 0.001 0.000 0.242 397 L C 1.989 178.974 176.870 0.192 0.000 1.136 397 L CA 0.294 55.242 54.840 0.180 0.000 0.933 397 L CB -0.140 41.948 42.059 0.047 0.000 1.241 397 L HN 0.825 nan 8.230 nan 0.000 0.522 398 A N -0.210 122.675 122.820 0.108 0.000 2.044 398 A HA 0.048 4.368 4.320 0.001 0.000 0.213 398 A C 1.345 178.927 177.584 -0.004 0.000 1.169 398 A CA 0.083 52.147 52.037 0.045 0.000 0.724 398 A CB 0.043 19.070 19.000 0.045 0.000 0.840 398 A HN 0.243 nan 8.150 nan 0.000 0.463 399 R N 0.355 120.876 120.500 0.035 0.000 2.308 399 R HA 0.523 4.864 4.340 0.001 0.000 0.305 399 R C -1.217 175.074 176.300 -0.016 0.000 1.053 399 R CA -0.053 56.044 56.100 -0.004 0.000 0.957 399 R CB 0.252 30.570 30.300 0.029 0.000 1.022 399 R HN 0.337 nan 8.270 nan 0.000 0.461 400 M N 7.138 126.642 119.600 -0.160 0.000 2.204 400 M HA 0.377 4.857 4.480 0.001 0.000 0.293 400 M C -2.182 173.811 176.300 -0.512 0.000 0.994 400 M CA -2.097 53.055 55.300 -0.248 0.000 0.925 400 M CB 2.358 34.718 32.600 -0.401 0.000 1.577 400 M HN 0.475 nan 8.290 nan 0.000 0.439 401 P HA 0.178 nan 4.420 nan 0.000 0.277 401 P C -0.661 176.739 177.300 0.166 0.000 1.276 401 P CA -0.349 62.806 63.100 0.091 0.000 0.788 401 P CB 0.960 32.660 31.700 0.001 0.000 1.114 402 S N -0.907 114.955 115.700 0.270 0.000 2.568 402 S HA 0.742 5.212 4.470 0.001 0.000 0.302 402 S C -1.180 173.512 174.600 0.154 0.000 1.082 402 S CA -0.605 57.740 58.200 0.243 0.000 1.009 402 S CB 0.121 63.506 63.200 0.307 0.000 1.069 402 S HN 0.433 nan 8.310 nan 0.000 0.500 403 L N 3.453 124.669 121.223 -0.013 0.000 2.643 403 L HA 0.532 4.872 4.340 0.001 0.000 0.257 403 L C -2.868 173.858 176.870 -0.240 0.000 0.922 403 L CA -1.060 53.564 54.840 -0.361 0.000 0.909 403 L CB 1.885 43.571 42.059 -0.622 0.000 1.424 403 L HN 0.457 nan 8.230 nan 0.000 0.422 404 P HA 0.082 nan 4.420 nan 0.000 0.258 404 P C 0.076 177.322 177.300 -0.089 0.000 1.172 404 P CA 0.296 63.370 63.100 -0.042 0.000 0.762 404 P CB 0.481 32.160 31.700 -0.036 0.000 0.764 405 E N 2.022 122.215 120.200 -0.012 0.000 2.108 405 E HA -0.256 4.094 4.350 0.001 0.000 0.203 405 E C 1.443 178.012 176.600 -0.051 0.000 1.022 405 E CA 2.043 58.429 56.400 -0.024 0.000 0.823 405 E CB -0.431 29.300 29.700 0.052 0.000 0.744 405 E HN 0.544 nan 8.360 nan 0.000 0.456 406 S N -0.322 115.367 115.700 -0.018 0.000 2.720 406 S HA 0.162 4.633 4.470 0.001 0.000 0.222 406 S C 1.561 176.136 174.600 -0.042 0.000 0.958 406 S CA 0.426 58.608 58.200 -0.031 0.000 0.943 406 S CB 0.067 63.252 63.200 -0.026 0.000 0.779 406 S HN 0.459 nan 8.310 nan 0.000 0.526 407 G N 0.640 109.388 108.800 -0.086 0.000 2.200 407 G HA2 -0.357 3.603 3.960 0.001 0.000 0.268 407 G HA3 -0.357 3.603 3.960 0.001 0.000 0.268 407 G C 0.236 175.191 174.900 0.091 0.000 0.986 407 G CA 0.135 45.191 45.100 -0.073 0.000 0.677 407 G HN 1.412 nan 8.290 nan 0.000 0.532 408 F N -1.954 117.927 119.950 -0.115 0.000 2.205 408 F HA -0.153 4.374 4.527 0.000 0.000 0.442 408 F C 0.322 176.052 175.800 -0.116 0.000 1.197 408 F CA 0.095 58.033 58.000 -0.104 0.000 1.444 408 F CB -1.130 37.805 39.000 -0.109 0.000 2.233 408 F HN 0.448 nan 8.300 nan 0.000 0.749 409 V N 7.466 127.145 119.914 -0.392 0.000 2.546 409 V HA 0.476 4.597 4.120 0.001 0.000 0.284 409 V C 0.781 176.562 176.094 -0.521 0.000 1.050 409 V CA -0.173 61.910 62.300 -0.363 0.000 0.981 409 V CB 1.741 33.422 31.823 -0.236 0.000 0.990 409 V HN 0.612 nan 8.190 nan 0.000 0.474 410 M N 2.883 122.244 119.600 -0.399 0.000 2.664 410 M HA 0.650 5.131 4.480 0.001 0.000 0.314 410 M C -0.427 175.761 176.300 -0.186 0.000 1.200 410 M CA -0.178 54.935 55.300 -0.312 0.000 0.916 410 M CB 2.455 34.833 32.600 -0.371 0.000 1.717 410 M HN 0.674 nan 8.290 nan 0.000 0.470 411 S N -0.723 114.936 115.700 -0.070 0.000 2.625 411 S HA 0.635 5.106 4.470 0.001 0.000 0.271 411 S C 0.036 174.653 174.600 0.028 0.000 1.161 411 S CA -0.181 57.996 58.200 -0.038 0.000 0.820 411 S CB 1.831 64.998 63.200 -0.056 0.000 1.137 411 S HN 1.126 nan 8.310 nan 0.000 0.470 412 G N 1.237 110.053 108.800 0.026 0.000 2.361 412 G HA2 -0.250 3.710 3.960 0.001 0.000 0.294 412 G HA3 -0.250 3.710 3.960 0.001 0.000 0.294 412 G C 0.010 174.963 174.900 0.089 0.000 1.004 412 G CA 0.377 45.504 45.100 0.046 0.000 0.870 412 G HN 0.625 nan 8.290 nan 0.000 0.510 413 I N -0.246 120.398 120.570 0.122 0.000 2.710 413 I HA 0.224 4.394 4.170 0.001 0.000 0.286 413 I C 1.000 177.210 176.117 0.154 0.000 1.181 413 I CA 0.368 61.780 61.300 0.187 0.000 1.430 413 I CB 0.595 38.747 38.000 0.253 0.000 1.367 413 I HN 0.445 nan 8.210 nan 0.000 0.577 414 R N 6.485 127.068 120.500 0.139 0.000 2.604 414 R HA 0.458 4.798 4.340 0.001 0.000 0.281 414 R C -0.726 175.621 176.300 0.077 0.000 1.020 414 R CA -0.951 55.206 56.100 0.095 0.000 0.899 414 R CB 1.401 31.740 30.300 0.065 0.000 1.205 414 R HN 0.594 nan 8.270 nan 0.000 0.450 415 R N 2.618 123.157 120.500 0.065 0.000 2.697 415 R HA -0.010 4.330 4.340 0.001 0.000 0.265 415 R C -0.391 175.925 176.300 0.027 0.000 1.009 415 R CA 0.743 56.870 56.100 0.046 0.000 1.099 415 R CB 0.680 31.008 30.300 0.045 0.000 0.965 415 R HN 0.630 nan 8.270 nan 0.000 0.428 416 K N 0.000 120.408 120.400 0.013 0.000 2.780 416 K HA 0.000 4.320 4.320 0.001 0.000 0.191 416 K CA 0.000 56.288 56.287 0.002 0.000 0.838 416 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 416 K HN 0.000 nan 8.250 nan 0.000 0.543